#DEFINITION	Reference Metabolome for Biancaea decapetala
#IDENTTFIER	RefMeta-Biancaea decapetala.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Biancaea decapetala
#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 Biancaea decapetala 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	999.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
70.42786	1.0
71.01382	8.8
72.99293	1.0
73.02940	1.1
74.51620	0.3
75.00856	0.4
81.03458	0.3
83.01389	1.4
83.05025	0.5
85.02956	2.5
87.00877	2.1
89.02439	7.2
94.62151	0.4
95.01382	0.9
96.96003	1.6
97.02946	2.9
97.06564	0.5
99.00863	0.6
101.02452	6.3
111.07399	0.5
111.08157	7.8
113.02452	4.1
116.92838	0.5
119.03481	1.6
125.02454	2.6
127.07648	1.0
131.03444	0.5
137.09732	0.4
143.03479	1.2
151.11255	0.6
153.12854	1.2
160.77406	0.4
161.04550	1.4
163.11320	0.7
165.12840	1.9
169.12370	3.2
171.10242	1.2
179.05583	2.6
179.14403	0.5
181.12315	1.5
183.13878	0.9
193.12296	0.6
193.15985	0.5
197.11826	35.6
198.12163	0.9
199.13396	1.8
209.11794	2.1
210.11966	0.4
211.13382	6.5
221.06631	1.1
227.12874	1.7
235.08205	2.7
247.20622	1.4
253.09370	0.6
263.20193	2.8
265.18112	1.0
273.18573	1.4
287.07697	1.1
291.19659	21.1
292.19995	1.2
293.21146	0.6
305.08704	0.9
309.20697	100.0
310.21008	5.2
323.09839	0.6
327.38284	0.4
333.20892	0.4
351.21521	0.4
379.12390	1.5
397.13495	20.4
398.13705	0.9
415.14572	13.2
416.14621	0.7
601.40833	2.4
689.33966	3.2
690.35217	0.5
707.34827	6.1
708.34796	0.6
999.54614	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	998.5691
Annotation	Unknow
Peak:m/z	Relative Intensity
71.20004	100.0
153.94302	47.2
191.38278	47.0
206.83720	46.0
410.98666	59.8
618.24146	47.1
683.71606	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07168	0.8
71.01381	9.7
71.05041	0.3
72.99305	0.6
73.02946	1.5
78.50697	0.2
78.95912	0.3
81.03458	0.6
83.01374	1.1
83.05025	0.7
85.02954	2.6
87.00872	2.5
89.02444	9.2
95.01385	0.9
95.04985	0.4
96.96005	0.9
97.02948	4.6
97.06590	0.6
98.20627	0.3
99.00867	0.6
99.04521	0.5
101.02442	6.9
106.25209	0.2
108.97784	0.2
109.02959	0.4
109.06589	0.4
111.04466	0.3
111.08155	7.0
113.02454	4.5
113.03185	0.5
114.66209	0.3
116.92838	0.4
119.03493	2.4
119.08656	0.4
123.04530	0.3
123.08173	0.5
125.02438	3.6
125.09757	0.8
127.03934	0.4
127.07664	0.7
131.03490	0.4
135.08133	0.3
137.09697	1.1
139.04018	0.4
139.11223	0.3
141.09233	0.2
143.03484	1.5
149.04599	0.3
151.11256	0.5
153.12836	0.8
161.04562	1.6
163.11296	1.1
165.12849	2.4
167.03473	0.4
169.12361	3.1
171.10239	2.0
179.05602	3.3
179.14313	0.4
181.12285	1.2
183.13857	0.8
185.04591	0.4
185.11870	0.3
188.06952	0.3
193.12338	0.6
197.11823	32.8
198.12131	1.0
199.13382	2.1
207.10210	0.3
209.11853	1.8
211.13371	5.0
212.13646	0.3
221.06659	0.9
223.13435	0.4
227.12909	2.5
229.19539	0.3
235.08212	2.6
241.30013	0.3
245.19206	0.3
247.20613	2.2
247.40271	0.3
253.09317	0.7
263.20145	1.9
265.18091	0.8
273.18665	1.6
275.09494	0.2
287.07666	1.0
291.19650	26.9
292.19949	0.7
293.21179	0.7
305.08710	0.9
309.20694	100.0
310.21072	4.7
323.09839	0.6
325.20413	0.3
333.20746	0.8
351.21823	0.5
379.12439	1.4
397.13492	23.5
398.13718	1.0
415.14563	12.4
416.14975	0.4
577.24854	0.3
595.26300	0.3
601.40985	2.2
689.33832	3.5
707.34857	6.2
708.35028	0.5
760.27130	0.3
999.55170	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
95.88099	30.0
96.95976	27.3
121.02940	42.2
125.02433	67.9
209.11797	70.6
289.18173	100.0
290.18359	50.1
293.21155	33.7
397.13275	42.4
398.14026	36.2
842.22443	31.7
914.61652	31.4
932.17603	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	997.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52582	0.2
71.52964	0.2
71.78226	0.2
83.01365	0.5
83.83797	0.2
87.43892	0.2
91.01908	0.2
93.03458	0.3
107.01381	1.6
108.02180	0.7
109.02942	0.7
121.02956	1.0
124.01669	0.2
125.02449	0.3
135.00848	0.4
137.02362	0.3
139.15086	0.2
145.05545	0.2
147.00896	0.2
148.01660	0.7
149.02428	0.2
150.03250	0.5
150.99196	0.3
151.00360	5.7
153.01953	0.2
159.30792	0.2
163.00351	1.3
163.04031	0.3
164.01112	0.4
165.01965	0.4
165.05539	0.4
166.02725	0.2
169.01384	0.2
173.04585	0.2
178.99864	2.6
187.04007	0.3
190.99866	0.2
192.00681	0.3
193.01361	0.2
195.06612	0.3
199.03996	0.5
211.03990	0.5
215.03465	0.3
216.04324	0.3
226.02760	0.7
227.03471	1.7
228.04144	0.2
229.04980	0.2
239.03296	0.2
243.02962	6.8
244.03667	0.3
245.04477	0.4
254.02110	1.5
255.02975	17.8
256.03342	0.8
271.02460	39.0
272.02939	2.4
273.03976	0.5
283.02570	0.6
284.03299	1.0
285.04037	2.5
286.04422	0.2
299.01956	1.1
300.02728	81.2
301.03442	19.8
302.03833	0.7
343.04520	0.3
353.08905	0.3
447.09210	1.7
463.08731	2.6
505.09851	100.0
506.02945	0.4
506.10184	6.0
565.20532	0.2
579.13483	0.4
613.22699	0.9
775.28345	0.3
815.06659	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03443	2.8
69.14326	1.1
71.01368	4.0
77.03963	1.2
77.54878	1.2
81.03460	7.6
83.01391	17.1
85.02941	1.5
89.02444	2.1
93.03429	5.8
95.01378	2.9
95.05018	3.7
97.02937	5.0
98.20651	4.4
99.04541	3.1
101.02415	3.3
107.05113	1.5
108.90178	1.8
109.02948	9.9
120.11761	1.2
121.02942	7.3
122.03767	2.4
123.00860	1.6
123.04527	3.4
124.01660	2.2
125.02449	66.6
131.05054	1.3
132.03033	2.0
133.02902	1.8
135.04497	4.9
137.02448	65.2
139.03993	1.8
146.03738	20.8
147.04541	2.6
149.02394	2.1
150.03127	2.0
151.03993	3.2
153.48898	1.2
159.04526	10.4
160.05255	4.0
161.02422	2.8
161.06032	3.4
164.01151	17.1
165.01935	35.2
167.03508	21.2
172.05293	4.2
173.05997	5.0
174.03224	10.5
174.06812	2.6
175.03954	2.1
177.01906	5.5
179.03445	12.8
185.05975	3.5
186.06822	3.1
187.04074	3.6
188.04790	8.0
189.05489	1.5
196.05301	1.7
197.05977	2.0
200.04767	6.1
201.05530	3.7
204.04247	5.8
209.06070	1.5
209.11787	2.7
210.06873	1.8
211.13405	1.4
212.04752	5.6
213.05510	1.6
213.09247	1.8
214.06331	1.4
225.05536	4.7
227.07146	1.4
228.08028	1.4
229.58920	1.6
237.05644	2.0
242.09334	1.5
243.13989	2.0
251.07188	2.3
252.07840	2.8
255.13916	2.1
268.07407	2.5
269.11786	4.6
269.15140	1.4
270.09006	3.5
271.13400	29.5
277.21722	9.6
283.13358	4.5
285.14954	2.9
287.12766	2.6
287.16467	1.3
289.14459	10.4
294.08878	3.4
295.13223	3.5
297.14890	3.1
299.12885	8.3
301.14282	3.0
309.14938	1.8
313.14490	17.5
315.16043	3.7
317.14032	4.2
325.14474	12.7
325.18100	2.0
327.16107	1.7
331.15448	4.3
335.16425	2.9
337.14456	7.6
343.15485	5.9
351.16028	2.5
353.17517	2.3
355.15622	3.4
369.16949	1.5
377.17566	3.1
379.15533	2.3
393.17081	3.7
395.18521	4.8
401.17349	1.6
419.18646	11.5
437.19611	7.4
463.17688	3.6
481.18594	1.9
567.24103	6.3
652.17627	1.5
673.28394	6.9
691.29486	1.7
699.26331	1.7
717.27850	4.1
827.46259	17.8
828.46375	3.7
839.46130	11.6
840.45959	1.8
851.46008	8.2
852.46454	2.0
857.46741	9.7
858.47766	1.6
893.45837	1.6
933.49939	15.4
934.50342	3.0
951.48517	4.2
959.48029	6.4
963.53308	2.5
977.49109	100.0
978.48987	14.1
995.50098	81.8
996.50348	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	4.5
71.01380	4.4
71.53008	1.9
77.03965	1.5
81.03457	6.1
83.01390	18.1
85.02984	1.5
88.98824	1.3
89.02444	1.8
92.92807	1.5
92.96732	1.2
93.03452	5.5
95.01389	4.7
95.05025	2.7
97.02945	6.9
99.04527	5.7
101.02448	2.2
109.02954	11.5
120.02090	1.5
121.02955	8.8
122.03713	2.1
123.04488	2.6
124.01681	1.6
125.02448	78.7
135.04507	4.0
137.02449	74.4
137.03525	2.7
138.03122	1.4
139.03946	1.9
145.32022	1.3
146.03719	24.6
147.04532	3.2
149.02477	1.5
150.03232	1.6
151.04002	5.4
158.03668	2.0
159.04535	11.8
160.05281	3.3
161.02406	2.1
161.06070	2.6
164.01152	16.7
165.01938	45.6
167.03502	28.7
172.05312	7.8
173.06053	4.3
174.03194	11.7
174.06903	2.4
175.03908	2.4
176.04800	1.6
177.01971	6.6
179.03482	13.7
183.04497	1.9
185.06114	2.9
186.06873	2.8
187.03986	6.6
188.04752	8.9
189.05539	1.8
197.11734	1.4
199.04170	1.4
200.04845	6.5
201.05571	6.2
202.06337	2.4
204.04240	4.7
209.11758	2.3
211.04022	2.4
211.07689	2.4
212.04825	6.4
213.05583	2.8
222.06674	1.8
224.04713	1.6
225.05547	5.7
226.06331	2.3
227.07130	1.8
237.05614	2.3
238.06296	1.8
239.07388	1.9
241.90402	1.8
243.13680	1.6
251.07045	2.9
252.07863	3.7
253.12279	1.9
255.13896	3.5
268.07480	2.7
269.11725	7.4
270.08978	3.0
270.12421	2.2
271.13382	34.3
277.21698	16.9
283.13382	3.5
285.14941	4.3
287.12811	2.0
288.06201	1.6
289.14453	11.0
294.08954	4.7
295.13342	3.0
297.15088	4.7
299.12863	9.1
301.14383	3.3
309.15085	2.8
313.14420	18.4
314.14792	1.6
315.16013	3.9
317.14066	4.1
320.06842	1.9
325.14438	13.5
331.15408	3.0
335.16541	1.5
337.14258	6.7
343.15488	4.9
349.71628	1.4
351.16290	2.5
353.17511	1.8
355.15530	1.8
377.17505	4.7
379.15488	1.9
393.17166	3.4
395.18643	4.1
401.17908	1.4
413.19836	1.9
419.18628	13.2
437.19812	7.9
445.16565	1.5
463.17709	4.9
466.02258	1.6
509.89398	1.4
567.24750	3.3
655.75555	1.5
673.28662	5.0
717.27649	4.2
827.45892	20.9
828.46027	3.7
839.46155	13.7
840.46100	2.1
851.45660	9.1
857.46875	10.8
893.46393	2.2
895.10022	1.6
933.50134	18.1
934.50726	3.2
951.48901	3.9
952.50055	1.5
959.48212	6.9
977.49060	100.0
978.49805	15.5
995.50098	85.3
996.49756	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	2.7
72.71690	2.0
75.00862	5.5
81.03458	5.9
83.01398	18.3
83.05015	2.9
85.59236	1.9
93.03470	4.6
95.04993	3.4
96.56503	2.3
97.02964	6.7
99.04517	2.4
101.02439	2.4
108.02197	2.3
109.02930	9.3
121.02931	7.7
122.03750	2.1
123.04500	6.1
125.02451	77.3
135.04512	3.6
137.02452	72.1
137.71802	2.0
139.04012	3.6
139.38210	2.2
146.03738	26.1
147.04512	2.7
149.02425	5.1
150.03256	2.5
151.03984	7.3
159.04472	11.5
161.02400	2.2
161.06021	2.6
164.01164	20.3
165.01933	43.7
167.03493	26.2
172.05286	8.3
173.06021	4.5
174.03227	10.7
174.06808	2.9
175.03961	5.9
176.04762	2.9
177.01921	7.8
179.03468	10.4
185.06082	4.5
187.04005	4.2
188.04729	9.7
200.04808	6.2
201.05600	5.4
204.04311	6.9
206.59837	2.0
209.11786	4.6
210.06619	2.4
211.04015	2.5
211.13359	2.8
212.04768	6.3
225.05560	5.4
225.12856	2.6
226.06331	3.4
227.07072	2.1
229.39815	2.8
243.13936	2.9
244.07333	2.9
251.07120	2.8
252.07805	2.9
255.13904	3.4
269.11829	7.5
270.08984	3.9
271.13409	31.9
277.21713	21.2
283.13376	5.9
285.15054	2.8
287.12973	3.2
289.14468	6.2
294.09055	6.8
295.13644	2.8
299.12909	9.1
301.14337	2.6
309.14969	3.1
313.14487	20.8
317.14038	4.8
325.14420	13.7
331.15442	3.0
337.14432	8.6
343.15543	7.2
353.17590	2.5
377.17676	2.7
379.15793	2.2
391.19058	2.1
393.17105	4.2
395.18729	5.1
419.18869	15.8
422.30341	2.1
437.19785	6.3
463.17700	4.8
529.76959	2.4
567.24194	2.3
673.28754	3.6
717.26770	3.7
827.45911	22.5
828.46399	3.0
839.45685	13.9
840.45844	3.1
851.46252	9.9
857.46857	8.7
933.50098	16.8
934.49518	2.5
951.48877	3.8
959.47803	4.7
960.49615	2.8
977.48944	100.0
978.48993	15.2
995.50153	82.3
996.50555	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45546	0.5
69.45952	0.3
71.01378	1.9
71.54244	0.1
72.99303	0.4
73.02936	0.3
74.54578	0.1
75.00867	0.7
81.45296	0.1
83.01395	0.6
85.02954	2.6
86.17796	0.1
87.00888	0.7
89.02422	0.3
91.40920	0.1
93.03454	0.3
95.01378	0.7
99.00883	0.9
103.00371	0.3
105.03464	0.2
107.01402	1.1
109.02944	0.5
113.02452	2.1
115.00367	0.2
117.01941	0.3
117.03449	1.2
119.05043	0.2
121.02961	0.5
129.01935	0.3
133.02943	4.4
133.03897	0.3
135.04520	0.7
143.05011	0.1
145.02983	0.2
147.04507	0.3
149.02429	1.5
151.00368	3.4
151.04005	0.2
157.06619	0.2
159.04578	0.3
161.02434	0.5
163.03984	0.4
167.35582	0.1
171.04466	0.3
173.06075	0.3
174.03169	0.2
175.02470	0.4
175.03964	2.4
177.01918	0.5
177.05556	0.4
185.02493	0.1
185.06062	0.3
187.04025	0.2
189.01964	0.2
189.05569	0.2
191.03458	0.4
193.05060	0.1
197.06047	0.5
198.03174	0.3
199.03995	1.9
201.01903	0.5
203.03523	0.4
211.04041	0.2
212.04570	0.2
213.05612	0.4
215.03508	0.3
217.05052	1.3
223.03926	0.2
226.02719	0.2
229.05016	0.2
229.15506	0.1
239.03369	0.2
240.04146	0.1
241.05103	0.6
243.03076	0.6
243.06438	0.1
257.04462	0.2
267.02921	0.2
267.06522	0.2
268.07339	0.4
269.04556	0.2
279.06622	0.1
281.04584	0.2
282.05219	0.7
283.06097	0.8
284.03226	0.5
285.04028	100.0
286.04370	4.6
293.04752	0.2
295.06146	1.2
296.06827	0.6
297.04117	0.4
297.07629	5.6
307.06061	0.8
309.07629	0.6
311.05585	0.9
323.05582	1.0
324.06293	0.3
325.07230	1.5
327.04886	1.1
328.05786	0.9
335.05548	0.4
337.07117	0.9
339.05173	0.3
341.06555	0.2
351.05087	0.2
353.06650	9.4
354.06891	0.6
355.04288	0.3
355.08423	0.2
356.05341	0.3
357.06192	1.0
365.06705	1.5
369.06058	0.2
381.06073	0.5
383.07703	6.9
384.08026	0.4
395.07538	0.7
399.07303	0.3
407.07669	0.3
413.08759	1.0
425.08878	0.8
443.03616	0.2
443.09814	4.9
444.10266	0.3
455.09705	0.5
461.07233	66.0
462.07599	3.9
473.10892	3.1
474.11221	0.2
485.11246	0.2
515.12109	0.4
533.12976	35.9
534.13458	2.5
666.57526	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.174
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53753	0.3
83.01388	0.5
85.02961	0.3
93.03446	0.2
107.01387	1.4
108.02159	0.9
109.02951	0.9
113.02433	0.5
121.02947	1.3
125.02448	0.3
135.00882	0.6
148.01680	1.0
148.92210	0.2
149.04512	0.2
150.99199	0.4
151.00368	6.2
163.00342	1.6
164.01108	0.5
165.05560	0.2
169.01479	0.3
173.06084	0.2
175.03987	0.3
177.01848	0.2
178.99857	3.0
183.04457	0.5
186.53606	0.2
187.04025	0.4
192.00607	0.3
195.93646	0.2
199.04012	0.4
200.04878	0.3
201.05562	0.2
202.02786	0.2
203.03441	0.3
206.40396	0.2
211.03981	0.8
212.04758	0.2
213.02003	0.2
215.03577	0.5
216.04289	0.2
226.02657	0.9
227.03447	1.6
228.04160	0.2
229.05000	0.4
239.03561	0.2
243.02979	6.4
244.03549	0.5
245.04530	0.8
254.02176	1.7
255.02974	18.9
256.03400	0.9
269.04544	1.6
271.02460	40.8
272.02954	2.5
273.04083	0.7
283.02411	0.7
299.02002	1.8
300.02728	82.0
301.03458	23.1
302.03665	0.9
305.42233	0.2
428.45654	0.2
445.07773	0.6
463.08710	2.6
505.09854	100.0
506.10129	7.4
547.14465	0.8
548.14740	0.9
549.15057	0.6
557.62579	0.2
685.48944	0.2
934.73987	0.2
1027.30737	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.175
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	0.4
83.01389	0.8
91.01927	0.4
107.01382	1.5
108.02176	1.2
109.02953	0.9
113.02451	0.6
121.02927	0.7
125.02412	0.4
135.00891	0.7
148.01700	0.8
149.04541	0.5
151.00362	7.2
151.01582	0.4
152.00978	0.4
156.88017	0.3
159.04546	0.3
163.00400	1.6
164.01131	0.5
175.02455	0.3
178.99855	3.3
182.88632	0.2
183.04529	0.3
186.72777	0.3
187.04054	0.3
192.00517	0.3
201.02013	0.3
211.04060	0.5
215.03505	0.4
226.02682	0.8
227.03450	1.9
229.05017	0.5
239.03368	0.3
243.02960	6.6
244.03464	0.6
245.04485	1.0
254.02193	2.1
255.02969	19.6
256.03345	1.2
264.40140	0.2
269.04553	2.0
271.02460	43.4
272.02969	2.1
273.04028	0.7
283.02521	0.9
299.02042	1.2
300.02731	84.3
301.03448	24.6
302.03915	1.1
445.07785	0.7
463.08902	3.5
505.09851	100.0
506.10199	7.0
548.14307	0.4
549.15631	0.4
561.22406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	2.7
71.01376	9.8
73.02927	5.2
81.03452	3.3
89.02445	11.1
90.07265	2.5
96.96004	2.9
97.64154	3.0
99.92587	7.4
101.02448	9.6
113.02445	4.3
116.92862	48.0
117.92851	3.6
119.03510	4.3
125.02458	10.3
162.56671	2.7
165.12733	3.1
179.05524	5.4
197.11884	16.0
209.09900	6.1
209.11821	85.5
210.12123	4.5
211.13371	6.1
227.12895	18.5
235.08229	6.2
291.19724	20.6
309.20700	97.5
310.21176	4.8
379.12411	5.2
397.13467	60.9
415.14648	20.0
425.57892	2.9
445.20044	2.9
467.79266	3.5
589.24927	5.2
607.26257	15.2
689.33582	12.6
707.34326	14.9
899.45850	15.2
917.48602	7.5
953.45221	3.7
985.47870	100.0
986.48718	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	983.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99818	0.3
69.03461	2.0
70.07146	1.3
71.01383	16.3
72.67575	0.3
72.99333	1.1
73.02937	1.8
75.00903	0.4
79.47083	0.3
81.03476	1.1
83.01384	1.8
83.05048	0.8
85.02964	4.0
87.00874	3.8
89.02448	15.6
95.01395	1.3
96.95999	2.4
97.02948	5.5
97.06590	0.6
98.20522	0.5
99.00900	0.4
100.37128	0.4
101.02444	12.9
109.06585	0.6
111.00876	0.6
111.08161	4.7
113.02457	7.0
113.09781	0.4
116.92867	0.6
119.03513	4.2
123.04482	0.6
125.02441	5.5
125.09760	1.1
127.07610	0.4
131.03545	0.5
137.02382	0.7
137.09723	1.4
139.04051	0.5
141.01926	0.5
143.03496	2.0
149.04547	0.4
151.11380	0.6
153.12901	0.5
161.04544	3.3
163.11284	1.1
165.12833	3.4
167.03569	0.5
167.10786	0.4
169.12265	1.9
171.10252	3.3
177.02058	0.4
177.12772	0.5
179.05634	4.1
179.10861	0.5
179.14359	1.1
181.12338	1.5
183.13899	1.2
193.12460	0.6
193.16061	0.6
195.13924	7.2
196.14423	0.6
197.11824	23.2
198.12219	0.6
199.06091	0.4
199.13455	0.8
205.12390	0.4
205.15831	0.4
209.11876	2.4
211.13358	4.4
221.06628	1.8
221.11852	0.6
223.13374	6.2
227.12958	2.2
228.13623	1.0
235.08244	4.4
247.20618	2.8
253.09251	1.2
256.13174	1.0
263.20166	1.7
265.17932	0.8
273.18784	0.9
275.20163	5.5
277.21732	0.6
287.07657	1.2
291.19678	24.7
292.20093	1.3
293.21231	100.0
294.21564	3.8
305.08771	1.7
309.20709	76.4
310.21021	3.8
323.09601	1.1
327.21982	0.4
335.23514	0.4
351.21591	0.4
379.12381	2.1
397.13501	35.8
398.13864	1.6
415.14560	20.2
416.15030	0.7
480.37701	0.5
585.41638	3.6
595.26074	0.6
652.63428	0.5
673.33929	1.2
689.33899	2.7
690.34125	0.6
691.35254	3.0
707.34741	5.9
845.41052	0.5
880.80072	0.4
983.54443	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38181	50.7
83.88817	16.3
89.02432	28.4
98.20688	15.9
120.94061	12.7
148.99371	13.9
173.20786	13.4
178.61476	15.6
196.04364	13.3
197.11868	19.1
201.11346	17.7
209.11797	100.0
210.12138	61.3
291.19626	18.7
292.20218	24.1
293.21121	16.6
309.20712	63.7
310.21088	58.3
311.21301	19.8
397.13495	22.2
398.13577	31.4
773.64398	17.4
812.97986	16.4
854.95642	15.7
870.11737	15.7
980.47772	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53007	10.2
82.33755	7.4
93.23560	7.2
99.92516	10.2
116.92849	100.0
117.92893	13.6
125.02400	10.1
127.42648	8.2
161.21884	7.7
189.55826	8.1
197.11832	8.1
197.92621	7.8
209.11789	53.4
210.12138	11.0
236.63766	7.8
246.17459	7.5
258.14896	7.7
291.19772	15.7
295.74487	8.6
309.20782	13.2
334.47318	8.1
362.90341	8.0
397.13364	19.7
399.13715	8.8
669.57220	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	981.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99817	1.4
69.81709	2.6
71.01380	16.1
71.73679	0.6
72.99311	4.0
73.02943	1.1
75.00872	7.4
76.69329	0.6
78.43205	0.7
83.01379	1.1
84.33410	0.6
84.96928	0.6
85.02950	34.4
87.00413	0.7
87.00865	4.4
89.02427	3.8
95.01389	8.7
99.00874	11.7
100.91490	0.6
101.02440	0.8
103.00378	5.8
107.01408	0.7
113.02451	59.0
115.00372	3.1
116.75290	0.6
117.01955	3.4
125.02431	2.5
129.01917	2.6
133.01369	0.7
133.57945	0.6
134.82562	0.6
137.02417	1.1
139.00377	1.1
145.25414	0.7
150.37270	0.6
151.00348	1.6
157.01494	1.5
175.02472	28.2
187.18550	0.7
199.04004	0.7
207.10249	1.1
227.03487	1.5
255.02864	1.4
256.03738	4.8
257.08054	1.2
268.03842	0.9
269.04459	2.8
271.02481	15.4
284.03256	81.7
285.03720	5.6
297.04160	0.9
299.01944	37.0
299.05551	100.0
300.02441	2.1
300.05869	4.4
313.03598	3.6
314.04321	30.0
315.04718	1.5
329.06647	87.1
330.06897	3.0
341.06769	1.0
475.08826	78.7
476.09186	4.4
505.09879	68.0
506.10388	4.2
517.18982	0.8
540.85541	0.7
563.11804	1.5
733.04694	0.8
736.56592	0.8
773.59784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44150	7.1
71.01382	16.0
72.26443	1.1
72.99316	2.0
73.02933	2.7
78.95889	1.1
81.03464	1.9
83.01388	2.8
83.05012	5.8
85.02940	2.9
87.00858	3.9
89.02444	12.9
93.03462	1.2
95.01380	1.8
97.02958	3.2
98.19942	1.1
99.00865	1.4
101.02441	10.8
109.06660	1.2
111.08163	6.9
113.02459	7.5
116.92857	2.0
117.48385	0.9
119.03490	4.6
125.02448	8.2
137.09698	1.6
141.01895	1.1
143.03493	1.8
161.04561	4.0
163.11276	4.5
165.12817	4.0
169.12325	2.3
171.10298	1.2
177.01871	2.0
179.05588	4.3
181.12326	1.5
183.13879	1.3
197.11833	37.2
198.12253	1.4
199.13402	2.0
209.11824	96.4
210.12146	2.4
211.13428	12.1
221.06749	1.3
227.12871	13.3
235.08163	5.0
247.20328	1.1
253.09225	1.9
263.20084	3.1
270.95779	1.2
287.07791	2.0
291.19638	16.9
292.42880	1.2
293.21146	1.6
297.25565	1.6
305.08865	3.0
309.20706	100.0
310.21024	5.2
325.20071	3.3
379.12329	2.4
397.13525	39.7
415.14581	17.9
438.71503	1.0
450.21283	1.1
589.25574	1.1
607.25677	4.1
689.33594	4.9
707.34857	4.7
899.45605	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	977.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99856	0.5
69.03465	1.8
71.01384	14.4
71.05000	0.8
72.99294	0.9
73.02951	1.8
76.52597	0.6
80.02665	1.5
81.03451	2.4
83.01398	2.2
83.05038	6.3
83.86068	0.6
84.02189	1.4
85.02940	3.9
87.00881	3.0
89.02446	13.2
93.03500	0.9
95.01420	1.0
95.05045	1.4
96.95987	0.6
97.02953	4.7
97.06588	0.6
99.00890	0.7
101.02441	10.8
105.07001	0.7
111.08168	3.3
113.02447	5.9
114.93361	0.6
116.92861	2.8
119.03490	3.8
125.02441	5.4
125.06086	1.2
125.09796	0.7
135.08160	0.8
137.02397	0.7
143.03508	2.1
161.04533	3.6
163.11263	5.9
165.12816	4.7
167.03430	0.9
169.12370	1.6
171.10294	3.0
179.05632	3.4
181.12361	1.0
191.10730	1.0
191.42033	0.7
197.11841	14.9
199.13431	1.1
209.11821	100.0
210.12221	3.5
211.13419	4.3
217.07246	0.6
221.06635	2.2
227.12900	13.4
235.08221	4.4
239.72568	0.7
247.20650	2.3
251.12877	0.7
253.09227	1.6
263.20151	1.0
273.18671	1.3
287.07758	1.9
291.19644	23.8
292.19937	1.5
305.08890	1.6
309.20697	80.1
310.21075	4.0
323.09747	1.1
341.23102	1.0
369.26306	1.0
379.12402	5.1
397.13480	40.9
398.13971	2.3
415.14590	14.0
501.32523	1.1
524.46075	0.7
587.72449	0.6
589.24841	1.4
607.26251	4.4
608.26483	0.7
689.33618	4.2
707.34918	4.4
899.46307	0.6
990.90784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16563	27.1
69.16872	2.3
69.89308	2.3
71.01379	7.9
83.05021	4.4
85.02939	4.7
85.46400	2.4
89.02436	11.9
89.59861	2.6
93.23665	2.6
94.59584	2.5
98.19945	6.2
99.92619	3.1
101.02438	8.1
116.92867	28.9
117.01774	2.8
125.02451	6.5
134.22015	2.9
149.54361	2.8
179.05576	4.8
195.13879	2.9
195.48274	2.4
209.11824	72.6
211.13411	3.7
225.36392	2.5
227.12852	17.0
235.08133	3.8
275.20117	5.6
293.21243	100.0
294.21381	2.6
306.03510	2.4
379.12323	5.7
397.13483	48.0
415.14636	15.7
605.96436	3.2
607.26044	13.9
673.34277	11.0
691.35547	13.4
694.71747	3.1
883.46796	12.5
901.47424	5.7
969.48230	68.0
970.49335	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	973.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	0.3
71.07635	0.3
79.95743	0.2
83.05025	0.3
89.02452	0.2
93.03466	0.4
95.01379	0.4
101.02435	0.2
106.04255	1.2
107.01360	1.1
108.02172	0.2
109.02952	2.4
116.92857	0.4
119.04977	0.5
121.02913	0.3
122.03739	0.5
123.00868	1.8
124.01681	0.4
125.02537	0.2
132.02161	0.3
133.02945	1.2
133.06436	0.2
134.03719	0.6
137.02444	4.9
145.02969	0.5
149.02414	0.9
149.99588	2.0
150.03215	1.8
151.00386	1.7
154.02707	0.2
160.01637	0.7
161.06061	0.2
163.11334	0.2
169.01407	0.4
169.06624	0.2
177.01936	2.8
178.02702	18.3
179.03056	0.3
193.04993	0.3
209.11809	8.8
210.05920	0.2
210.12181	0.2
211.07629	0.2
212.08383	0.2
215.10626	0.3
217.76036	0.2
227.12881	1.5
229.79079	0.2
235.08356	0.2
240.07904	1.2
243.10123	0.3
253.09001	0.5
255.10216	2.2
271.09769	0.4
284.06845	3.0
299.09222	100.0
300.09552	4.7
327.21759	1.2
328.22116	0.5
329.22302	0.2
397.13501	0.3
415.14514	0.3
445.20511	0.2
691.81683	0.2
917.48950	0.2
973.45953	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5631
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99813	0.2
69.03445	0.5
69.03769	0.1
71.01380	7.1
72.01722	0.1
72.99298	0.5
73.02952	0.8
73.04639	0.1
75.00871	0.1
81.03419	0.3
83.01369	0.7
83.05006	0.1
84.02148	0.1
85.02957	1.5
87.00876	2.0
87.55518	0.1
89.02447	5.9
89.79935	0.1
93.03436	0.1
95.01391	0.5
95.05008	0.3
96.96035	0.2
97.02948	0.8
97.06605	0.2
98.20662	0.4
99.00860	0.5
101.02444	4.9
104.40544	0.1
107.78342	0.1
109.06425	0.1
111.00890	0.2
111.04513	0.2
111.08141	0.3
113.02445	2.9
113.09666	0.3
115.03899	0.1
119.03493	1.6
125.02454	1.9
125.49117	0.1
127.03885	0.1
129.01842	0.1
131.03470	0.3
141.01929	0.2
143.03508	0.8
161.04532	1.4
167.03502	0.2
167.10767	0.3
169.05034	0.1
177.12790	0.2
177.16341	0.1
179.05624	1.8
179.10744	0.2
179.14388	0.8
181.12326	0.2
195.13898	7.7
196.14630	0.5
197.15353	0.1
205.12396	0.6
205.15869	0.5
211.13441	0.6
221.06668	0.8
223.13382	5.1
224.13863	0.3
225.14928	0.3
228.13617	1.1
231.21140	0.4
235.08194	1.8
239.12909	0.3
245.06509	0.1
249.11131	0.1
253.09406	0.5
256.13168	1.2
263.07739	0.3
265.21695	0.5
275.20145	4.9
276.20377	0.2
287.07764	0.8
293.21222	100.0
294.21545	4.5
301.09055	0.1
305.08713	0.6
317.21329	0.2
323.09787	0.4
341.10620	0.1
374.87177	0.1
379.12445	0.9
397.13504	15.6
398.13626	0.6
408.85587	0.1
415.14563	10.1
416.14960	0.3
450.98398	0.1
511.29150	0.1
569.42218	1.6
570.42047	0.2
636.26495	0.2
654.27338	0.4
673.34589	1.2
674.34753	0.2
691.23431	0.2
691.35425	3.4
692.36346	0.2
830.58032	0.1
930.48993	0.2
967.55634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	0.1
71.01412	0.2
71.23437	0.2
83.05020	0.2
88.27276	0.1
96.96008	0.2
97.06573	0.2
101.02393	0.2
111.08169	1.2
125.02463	0.3
160.05385	0.1
163.11235	0.3
165.12843	22.8
166.13167	0.7
181.12369	0.3
183.13892	94.3
184.14220	3.2
191.10814	0.3
209.11809	7.0
210.12247	0.3
227.12877	100.0
228.13197	3.9
235.08099	0.2
253.09232	0.2
445.20599	0.4
526.95032	0.1
562.16394	0.1
637.31714	0.1
966.45721	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	965.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	0.4
71.52433	0.5
83.01383	0.5
85.02950	3.3
87.00922	0.3
89.85773	0.2
93.03426	0.2
94.65685	0.2
96.96017	0.9
100.21503	0.2
107.01398	1.1
108.02198	0.9
109.03059	0.2
119.37621	0.3
121.02978	0.5
125.02451	0.5
129.01935	0.2
135.00827	0.5
137.02481	0.3
148.01704	0.6
149.02412	0.3
151.00365	3.4
163.00363	1.0
164.01141	0.4
165.05566	0.3
169.01312	0.3
178.99896	2.0
180.54852	0.2
187.04016	0.4
191.02019	1.7
199.04042	0.4
200.67726	0.2
209.02942	2.4
215.03494	0.3
216.04237	0.3
226.02730	0.9
227.03473	2.9
229.04974	0.3
243.02969	6.3
244.03584	0.4
254.02174	1.5
255.02977	20.6
256.03430	0.9
271.02469	39.3
272.02942	3.3
284.03214	4.0
285.04068	2.6
299.02008	1.3
300.02747	82.2
301.03305	8.7
355.06635	1.5
447.09198	0.3
609.14581	100.0
610.14874	9.0
760.09387	0.3
1001.59656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	1.1
71.01380	5.4
72.99309	1.5
75.00876	1.6
83.01385	5.1
84.02177	3.1
85.02949	100.0
86.03323	1.3
87.00875	1.1
89.02454	1.8
96.96022	0.7
98.20695	1.0
101.02438	0.6
103.00370	1.8
107.01334	0.5
109.30982	0.5
111.00883	5.5
119.05063	1.4
120.57335	0.5
121.03016	0.5
125.02441	4.8
125.08572	0.5
129.01955	9.1
133.01428	2.3
135.04491	0.5
137.02435	2.8
139.04062	1.1
145.02994	0.8
147.03001	13.0
153.30568	0.6
163.04008	1.9
164.01097	0.7
165.01955	1.7
167.03487	2.5
173.00911	1.8
173.04564	0.5
175.03929	0.8
177.01920	2.2
178.02689	0.5
179.03520	0.9
180.03760	0.5
181.04796	0.5
186.03302	0.6
191.01970	53.4
192.02319	1.6
209.03015	67.6
210.03334	1.4
215.03412	0.7
217.04927	0.5
225.05554	0.6
229.05077	0.5
229.31088	0.6
243.02986	1.9
244.03751	0.8
257.04611	1.1
259.02472	1.5
260.03183	1.1
261.04080	1.2
262.04791	0.5
271.02612	0.6
273.04071	1.3
281.04416	0.9
285.04050	1.1
287.05371	0.6
288.02750	0.9
297.03836	0.6
301.03342	0.7
303.05026	1.2
305.06717	0.9
315.05023	0.9
333.06146	1.2
337.05682	1.5
355.06683	33.5
356.07065	2.0
371.06290	1.2
423.07013	1.2
441.08203	1.8
471.09271	3.4
553.88947	0.6
565.13617	0.6
591.11261	1.2
609.12500	25.8
610.12927	3.8
611.14075	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01415	22.5
77.41928	19.9
101.02480	26.8
116.92862	37.5
121.02953	27.6
168.72517	21.1
174.88882	21.1
187.83540	23.1
209.04619	23.9
209.11807	100.0
210.12177	41.9
229.57567	24.4
245.12210	25.2
293.21188	84.6
294.21744	37.3
295.21802	30.4
373.33487	22.2
397.13562	32.7
499.23706	28.8
555.79791	24.1
964.48657	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99923	22.5
71.00276	20.2
71.01400	14.3
78.95946	14.9
87.52438	15.4
98.05733	16.9
110.63663	15.5
116.92955	15.6
121.02939	22.3
125.02419	16.1
139.42693	16.3
140.30719	15.2
145.03183	18.0
209.11821	100.0
210.12230	32.5
293.21201	35.4
294.21643	38.1
349.18021	18.9
397.13358	18.0
412.84378	16.6
521.71075	17.6
553.61444	19.8
599.05542	28.5
745.88959	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
67.34929	26.6
70.63431	100.0
71.01378	44.8
72.19878	28.6
98.93708	32.2
173.34698	32.4
188.00648	36.7
201.16550	30.3
207.64920	32.5
219.31923	31.5
580.51929	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03470	2.0
71.01379	16.5
71.37388	0.9
72.99319	1.6
73.02954	1.8
75.03924	1.0
77.05741	0.8
77.46984	0.8
78.95904	1.3
81.03461	1.3
83.01377	1.3
83.05002	1.0
83.51378	0.9
85.02954	2.9
87.00861	4.2
89.02446	12.2
95.01369	2.1
96.96004	10.3
97.02967	2.1
99.00887	1.7
101.02444	11.8
113.02447	6.5
114.23309	0.8
119.03497	3.8
125.02454	6.2
143.03464	2.0
161.04558	3.3
179.05612	2.9
183.13884	5.8
188.55554	0.9
193.12399	1.4
211.13382	100.0
212.13683	2.8
217.07118	1.2
221.06693	1.9
235.08195	4.6
253.09109	1.4
259.08176	0.9
277.21716	56.7
278.21991	3.2
287.07562	2.0
305.08972	1.8
315.72177	0.9
323.10025	1.4
379.12454	14.3
380.63257	1.0
397.13492	46.2
398.13611	1.6
415.14389	7.6
499.01743	1.0
591.26434	11.5
592.27051	1.2
609.27606	7.7
657.34912	3.5
675.35992	7.1
869.48987	3.9
900.30475	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
68.55350	1.0
69.03436	3.1
71.01384	16.1
73.02943	2.2
83.01371	1.5
85.02953	4.2
87.00877	3.5
89.02448	13.2
95.01351	1.9
97.02948	1.8
99.00842	1.2
101.02444	12.7
113.02453	7.3
116.92879	7.0
117.92825	1.1
118.92638	1.3
119.03510	3.6
119.94702	1.1
121.75845	1.0
125.02451	6.2
143.03488	2.0
161.04536	3.0
167.10710	3.6
168.77034	1.1
171.10280	2.3
173.37282	0.9
177.12770	1.0
179.05595	5.6
179.14398	3.9
192.31265	0.9
195.13872	16.4
201.11357	2.3
205.12355	7.4
209.11667	1.4
221.06674	2.3
223.13379	66.3
224.13745	2.4
225.11227	1.0
228.13759	1.0
229.55573	1.3
230.96474	0.9
235.08173	3.7
253.09343	1.7
256.13077	1.1
275.20264	6.0
277.21646	2.2
287.07697	1.0
287.19141	1.1
293.21216	100.0
294.21518	4.0
305.08694	1.5
379.12393	5.0
397.13470	39.4
398.13586	2.1
415.14523	10.9
499.34277	2.0
506.77658	1.4
603.26416	7.3
604.27972	1.0
621.27570	16.0
622.27643	2.3
673.34467	3.7
691.35028	5.9
883.46844	2.3
897.48395	9.9
898.48944	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	9.8
71.52096	2.6
71.52460	2.4
73.02948	3.5
74.52516	2.2
83.05016	2.8
85.02942	2.9
87.00891	3.6
89.02428	10.5
99.92584	6.3
101.02447	9.0
113.02442	4.2
116.92863	58.8
119.03447	5.8
125.02450	4.7
135.08226	2.4
161.04543	5.3
163.11372	4.5
179.05588	5.7
209.11833	100.0
210.12178	5.5
222.12059	2.2
222.14319	2.4
227.12888	20.7
235.08218	5.2
241.54176	2.7
277.21713	53.0
287.07678	2.3
379.12393	19.8
397.13507	58.9
415.14398	10.2
557.18359	3.5
589.24847	14.5
607.26044	9.8
657.34857	6.9
675.36041	11.3
867.47119	6.6
953.48767	46.9
954.48608	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	954.5273
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15400	67.7
71.52456	76.2
71.52813	80.1
81.02421	64.5
89.06142	75.6
113.46858	72.6
170.63605	69.0
209.11804	100.0
214.88156	63.6
298.24646	74.9
386.17584	66.4
761.52325	78.4
960.05182	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99786	1.8
69.03450	1.4
70.36375	3.6
71.01379	16.2
72.99304	1.7
73.02967	1.7
80.02688	1.3
81.03452	1.2
83.01392	2.5
83.05012	4.4
85.02960	2.8
87.00865	3.7
87.04511	1.3
89.02435	14.6
94.32854	1.0
94.50085	1.0
95.77151	1.0
97.02931	2.1
98.71809	1.0
99.00931	1.3
101.02426	10.2
110.26444	1.1
112.20293	1.2
113.02437	6.5
116.92860	4.4
119.03480	2.9
125.02442	3.9
134.89473	2.6
140.18582	1.2
143.03516	2.8
149.04518	1.7
161.04515	2.7
163.11282	3.8
165.12827	2.3
179.05624	3.0
209.11812	100.0
210.12093	4.1
223.85500	1.4
227.12907	12.9
235.08235	5.0
255.23297	56.6
256.01187	1.2
256.23508	2.5
287.07712	2.9
305.08633	1.8
379.12463	18.4
380.12921	1.6
397.13498	44.3
398.14011	1.6
415.14529	6.7
546.15570	1.2
589.24701	4.5
607.26202	4.0
635.36548	4.6
653.37494	9.6
730.74353	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.8
71.01381	14.8
72.99308	1.5
73.86831	1.1
75.00880	1.6
83.01370	2.2
83.05012	3.6
85.02951	2.5
87.00863	3.7
89.02007	1.4
89.02450	13.7
97.02952	3.2
99.92572	2.6
101.02438	13.1
111.08191	2.3
111.40065	1.2
113.02444	7.2
116.92870	32.1
119.03488	3.6
122.37987	1.1
125.02481	5.7
125.83032	1.1
132.09592	1.1
137.02469	1.3
161.04549	3.3
163.11244	3.6
165.12869	2.5
165.49352	1.3
171.10275	2.1
179.05623	7.0
181.12340	1.6
197.11809	15.4
209.11824	100.0
210.12105	5.0
211.13428	5.6
221.06590	2.2
227.12875	27.4
235.08208	4.0
253.09206	1.4
287.07639	1.4
291.19641	19.8
305.08923	2.4
309.20706	96.9
310.21057	5.0
323.09903	3.1
368.74362	1.2
379.12360	7.2
397.13504	56.3
398.13998	1.8
415.14517	19.1
458.71945	1.1
589.25391	5.1
607.25800	9.7
641.06842	1.2
689.33911	8.2
707.34998	9.7
761.84167	1.3
899.46332	7.0
917.48120	1.5
953.45264	71.4
954.45502	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	953.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99831	0.2
69.49126	0.6
69.49554	0.4
71.01382	3.0
72.99311	0.5
73.02939	0.3
75.00875	1.0
77.40638	0.1
81.22809	0.1
83.01395	0.5
85.02955	3.6
87.00885	1.1
89.02425	0.5
93.03461	0.2
95.01369	0.9
96.41612	0.1
98.19938	0.3
99.00875	1.5
103.00369	0.4
105.03468	0.3
107.01405	1.3
109.02950	0.4
111.00928	0.1
113.02456	3.0
115.00374	0.5
117.01959	0.5
120.99655	5.7
121.02952	0.4
125.02407	0.2
129.01927	0.4
133.02945	5.1
148.01749	0.2
149.02448	1.4
151.00365	3.5
151.03963	0.1
171.04506	0.3
173.04564	0.3
173.05989	0.2
175.02451	0.5
175.03990	2.0
177.01888	0.3
185.06056	0.4
185.11841	1.6
189.05533	0.2
197.06032	0.3
198.03159	0.3
199.04015	1.8
201.01965	0.5
211.03899	0.4
213.05508	0.4
215.03519	0.4
217.05096	1.1
223.04100	0.2
226.02766	0.2
227.03464	0.2
229.05069	0.2
239.03452	0.2
240.04137	0.2
241.05006	0.7
242.02280	0.1
243.02998	0.7
255.03152	0.2
257.04523	0.5
267.02902	0.3
272.03195	1.4
273.03784	0.2
284.03345	0.7
285.04034	100.0
286.04376	4.8
297.03976	0.4
298.04767	0.2
299.02255	0.2
300.02734	17.5
301.03119	0.9
315.05093	21.8
316.05551	1.0
327.05115	1.2
357.06158	1.1
359.16949	0.8
369.06036	0.3
381.06262	0.4
387.07217	0.2
399.07101	0.2
420.80032	0.2
461.07248	58.8
462.07593	4.3
491.08334	15.9
491.18845	1.9
492.08875	1.3
593.15131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
67.97881	0.9
69.03442	1.3
71.01380	16.4
72.99300	1.7
73.02942	2.3
75.34705	0.8
80.02676	0.9
81.03445	3.1
83.01391	1.6
83.05025	6.8
84.02144	1.0
85.02956	4.0
87.00863	4.0
89.02449	13.2
93.03398	0.8
95.01392	1.6
97.02942	3.9
99.00879	0.8
101.02442	10.9
109.06548	1.5
111.08160	5.7
113.02444	6.7
114.18589	0.7
116.92870	2.6
119.03490	3.5
125.02445	7.0
125.06097	1.1
143.03496	2.1
161.04553	2.4
163.11317	4.9
165.12827	3.6
169.12268	2.3
171.10326	2.2
178.02774	0.7
179.05664	4.2
181.12367	2.3
191.10849	1.1
193.12431	1.0
196.56560	0.9
197.11830	26.0
199.13446	1.6
209.11826	100.0
210.12265	4.4
211.13469	4.4
221.06653	1.8
227.12889	14.4
228.13164	1.3
235.08186	4.2
246.71271	0.8
247.20697	1.2
263.20142	1.3
273.18744	1.5
287.07724	1.2
287.81131	0.8
289.18124	1.4
291.17035	0.7
291.19681	18.7
305.08920	1.7
309.20706	78.8
310.20920	4.0
323.09879	1.4
333.20731	0.8
379.12402	2.9
397.13516	38.7
398.13684	2.4
403.85239	0.8
415.14624	14.2
501.32492	1.0
522.81439	0.8
589.25287	2.0
607.25934	4.2
689.33948	2.7
707.34937	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	949.61
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	0.9
69.51690	1.1
69.52100	1.0
71.01383	12.4
72.99295	1.3
73.02944	2.4
79.80986	0.3
81.03477	0.6
83.01389	1.3
83.05016	0.5
85.02945	3.4
87.00874	3.2
89.02441	11.1
95.01392	1.3
97.02950	2.4
98.20641	0.7
99.00890	0.6
101.01803	0.7
101.02441	10.2
111.04501	0.3
113.02447	5.3
113.09746	1.9
119.03487	3.3
121.02940	0.3
125.02448	4.9
131.03505	0.5
139.04027	0.4
143.03491	1.9
161.04561	2.6
167.03613	0.3
179.05580	2.4
179.14388	0.7
181.12393	0.5
185.04593	0.4
195.13893	15.1
196.14192	0.5
209.11787	2.5
211.13344	0.6
221.06642	1.1
227.12776	0.5
235.08221	6.0
253.09322	1.2
255.23291	33.4
256.23593	1.4
277.21719	13.5
278.21957	0.6
287.07648	1.5
293.21262	0.6
295.22766	100.0
296.23071	4.8
305.08844	2.1
351.91476	0.3
379.12115	0.6
397.13483	59.6
398.13812	2.5
415.14551	18.5
597.07611	0.4
653.37494	7.5
654.38141	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81083	0.4
69.81491	0.2
70.00881	0.1
71.01009	0.2
71.01380	2.9
71.76266	0.1
72.99302	0.4
73.02934	0.6
75.00877	0.7
81.03442	0.1
83.01387	0.5
84.02148	0.1
85.02950	3.1
87.00893	0.7
89.02448	1.3
89.33584	0.2
95.01357	0.8
99.00873	1.2
101.02436	0.5
103.00354	0.3
105.03497	0.3
107.01389	1.3
109.02916	0.6
111.00872	0.2
113.02454	2.4
115.00395	0.3
117.01929	0.5
121.02930	0.4
129.01933	0.2
131.03485	0.2
133.02956	4.8
149.02499	1.4
149.04550	3.6
150.99185	0.2
151.00354	3.4
151.03934	0.1
161.04568	0.1
169.06625	0.2
171.04538	0.2
173.05978	0.2
174.82291	0.1
175.02574	0.2
175.03992	1.8
177.01994	0.3
185.06061	0.4
197.06010	0.2
199.03992	1.7
201.01906	0.4
211.03911	0.2
212.04633	0.1
213.05554	0.5
215.03462	0.5
217.05038	1.2
223.04008	0.1
229.04951	0.3
239.03384	0.2
240.04347	0.1
241.05055	0.7
243.03040	0.6
257.04590	0.3
267.02917	0.3
269.10266	0.4
284.03363	0.6
285.04034	100.0
286.04373	5.5
297.04004	0.4
299.05524	0.3
327.05075	1.1
339.05276	0.2
355.04706	0.2
357.06207	1.1
369.06415	0.3
381.06009	0.4
399.07022	0.1
401.14548	0.3
443.15533	2.6
444.16034	0.3
461.07245	55.9
462.07605	4.8
487.14392	0.8
569.28235	0.1
611.61536	0.2
666.86517	0.1
832.93884	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01911	0.3
68.99812	0.9
70.39503	0.8
71.01382	4.6
72.99313	1.8
73.02947	0.4
75.00876	1.8
81.03445	0.3
83.01382	3.0
84.02156	3.1
85.02950	100.0
86.03289	1.4
87.00875	1.2
89.02434	1.0
93.03477	0.4
99.00879	0.4
101.02453	0.8
103.00367	2.0
104.80486	0.2
109.02941	1.3
111.00883	4.7
115.00375	1.0
119.05029	2.7
121.02971	0.4
123.04520	0.8
125.02443	9.8
126.02769	0.6
129.01945	8.5
133.01418	1.9
133.02975	0.3
135.04524	1.0
137.02451	2.7
139.04089	0.6
145.01430	0.4
145.02954	0.6
147.02997	12.4
149.02443	0.7
151.03995	0.8
161.02434	1.5
162.03044	0.3
163.04012	3.0
164.01057	0.3
165.01903	1.2
167.03461	0.7
169.16595	0.3
173.00877	2.4
175.03986	0.5
177.01933	4.1
179.03554	1.4
187.03926	0.4
191.01973	53.8
191.05617	1.2
192.02306	1.2
192.05875	0.3
194.93883	0.3
205.05167	0.3
209.03021	51.0
210.03371	0.9
219.06660	0.6
229.04993	0.4
243.03017	0.4
245.04538	0.4
245.08205	0.5
255.03056	1.5
256.03799	0.3
257.04459	0.7
263.09302	0.3
269.04572	0.3
281.04547	0.5
283.02484	0.8
285.04141	0.5
287.05621	0.9
289.07230	2.1
297.04037	0.3
299.05463	0.3
303.05002	0.7
305.06662	4.7
306.07083	0.4
319.26367	0.3
337.05624	1.6
353.08740	0.6
354.09171	0.4
355.06683	34.1
356.06940	1.2
397.08835	0.3
407.07697	2.8
408.08224	0.5
423.07245	4.7
423.12509	0.4
424.07385	0.4
425.08765	5.8
426.09253	0.7
441.08331	2.5
467.09738	2.0
468.10275	0.3
575.12073	0.3
588.39496	0.3
593.13074	8.1
594.12885	1.3
595.13574	0.6
923.30707	0.3
964.91663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.48
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36400	13.8
70.36768	17.9
71.01390	19.4
86.28223	8.6
89.02429	20.5
92.40540	8.3
98.20622	9.6
101.02459	13.0
176.80251	8.1
209.11797	100.0
210.12138	41.8
211.12369	16.4
227.12854	14.4
265.92517	8.7
277.21716	31.6
277.60767	9.2
278.22076	21.5
397.13577	15.7
398.13782	16.0
399.13766	8.0
424.36600	9.0
648.89941	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	948.48
Annotation	Unknow
Peak:m/z	Relative Intensity
67.40288	11.7
70.64064	24.6
70.64428	25.8
71.01400	24.9
72.59534	13.2
83.05008	16.6
89.02491	16.0
101.02503	15.0
209.11774	100.0
210.12163	45.7
227.13033	14.6
251.04765	13.7
255.23297	27.3
277.21783	43.4
278.22165	26.0
293.21118	19.2
334.10211	15.6
345.01846	13.7
397.13602	36.1
398.13757	22.7
461.82983	14.4
613.21606	16.6
638.63208	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
67.90192	0.5
71.52994	0.6
81.03471	1.9
83.01395	3.3
85.02956	2.4
93.03469	4.0
95.01395	1.3
95.05015	1.4
97.02964	2.0
97.31377	0.6
107.05040	1.3
107.39622	0.6
107.62621	0.6
108.02187	0.5
109.02959	11.4
111.00858	0.7
111.04516	1.9
119.05038	5.0
121.02966	5.2
123.00900	2.5
123.04554	1.2
124.01676	2.0
125.02449	100.0
126.02776	1.6
130.04074	0.6
131.05042	1.0
133.02962	1.5
135.04506	1.7
137.02449	28.0
138.03232	1.1
139.04016	12.3
149.02434	8.5
149.06087	1.0
151.04005	4.2
155.03473	1.4
159.04453	1.0
161.02484	2.4
163.00403	1.0
163.04012	11.5
164.01080	3.3
164.04341	0.9
165.01932	13.1
166.02600	1.2
167.03479	12.9
173.04541	2.7
173.05943	1.0
174.03462	0.5
175.03996	7.9
176.01149	0.9
177.01935	74.2
177.05530	3.0
178.02406	2.6
179.03497	12.5
185.06085	0.6
187.04016	3.4
189.05513	0.8
191.03513	1.6
191.05576	1.9
191.07150	1.8
199.03987	1.3
201.05592	1.5
203.03526	2.7
204.04265	2.3
205.01372	1.3
205.05072	1.1
211.04074	1.5
213.05550	0.7
215.03491	1.9
217.05086	2.1
219.03114	1.4
219.06593	8.1
220.07034	0.6
221.04568	5.2
223.04536	1.0
227.03561	1.8
228.04300	1.3
229.05151	3.8
233.08153	0.8
243.02956	6.5
243.06473	0.7
245.04517	1.3
253.04955	0.8
255.02980	13.2
256.03632	3.8
257.04507	2.9
259.06088	0.6
261.04205	2.8
261.07516	3.4
263.05621	0.9
269.04541	2.0
271.05966	0.7
273.04062	8.5
282.01703	1.4
283.02490	8.3
284.02954	0.8
285.03995	3.2
288.02814	1.3
297.04019	5.6
298.04828	1.0
299.05402	0.6
303.05090	9.9
305.06659	43.6
306.07001	1.9
315.05261	1.3
337.09479	1.3
353.08972	1.5
355.08286	2.0
397.09357	1.1
405.05817	0.7
423.07220	61.4
424.07764	4.1
425.08939	0.7
441.08261	60.6
442.08673	4.0
465.08301	0.8
483.02368	0.8
483.09296	12.0
484.09421	1.0
591.11688	2.4
609.12457	68.0
610.12750	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	945.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	12.7
71.52931	2.3
73.02929	2.5
74.81089	1.5
77.92838	1.4
78.95877	1.7
83.04993	1.6
85.02956	3.1
87.00861	4.9
88.98816	2.4
89.02442	12.0
90.11413	1.9
97.02931	2.8
101.02416	8.9
113.02457	4.8
116.92884	1.7
119.03476	3.0
125.02430	6.8
131.96391	1.9
143.03484	2.0
148.48311	1.9
161.04538	2.8
161.89026	1.5
179.05612	2.9
183.13824	7.6
193.12378	2.1
195.13870	7.2
209.11777	6.0
211.13393	76.3
212.13715	2.8
223.13403	2.6
235.08208	4.4
256.13211	1.6
275.20099	5.9
277.21640	3.6
293.21225	100.0
294.21545	5.6
336.47687	1.8
364.52176	1.8
374.89838	1.9
379.12506	3.8
397.13544	40.9
415.14429	14.4
527.74957	2.0
550.79877	1.6
591.26770	3.0
609.27557	12.9
673.34406	3.3
691.35291	4.3
885.47839	2.9
948.94513	2.0
949.18738	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	945.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01866	2.0
69.03477	3.5
69.53703	11.7
71.01365	5.1
72.99280	1.7
81.03476	7.6
83.01388	16.8
83.05009	5.2
87.00838	2.4
89.02438	2.2
93.03449	7.1
95.01373	2.0
95.05013	4.5
96.96003	6.4
97.02923	7.8
98.19899	2.9
99.04530	4.6
101.02415	4.0
107.04974	2.8
109.02969	11.0
109.06588	2.5
113.02448	3.7
121.02934	9.8
122.03728	3.8
123.04511	5.8
124.01678	3.4
124.34416	1.6
125.02446	91.7
133.02925	4.0
135.04471	4.4
135.53271	1.9
137.02448	78.9
139.03986	3.5
146.03748	26.5
147.04520	3.6
148.01517	1.9
149.02386	4.1
151.03970	7.2
159.04543	11.8
160.05240	4.8
161.02434	3.3
161.06073	3.0
163.00356	2.6
163.11176	1.9
164.01144	20.8
165.01930	54.6
165.12769	2.3
167.03476	30.0
172.05267	7.3
173.06065	4.5
174.03188	14.5
174.06818	3.7
175.03946	5.6
176.04755	2.7
177.01949	11.2
179.03481	15.5
185.06070	3.0
186.06801	3.2
187.03995	4.9
188.04808	10.1
190.02742	2.2
191.03513	2.2
197.06023	2.0
198.06947	2.0
200.04768	8.2
201.05537	4.4
204.04256	6.6
209.11826	38.1
211.13380	2.7
212.04855	9.0
212.08362	1.7
213.05453	2.6
225.05534	5.4
227.07117	3.1
228.07649	1.7
239.07213	3.3
243.13786	2.8
251.07092	4.6
252.07933	2.9
255.13893	4.8
268.07544	4.0
269.11826	4.8
270.08865	2.8
271.13379	39.5
272.13690	2.9
283.13287	3.9
285.04031	2.2
285.14883	5.0
287.12790	2.3
289.14502	13.8
294.08881	6.2
295.13388	5.2
297.14856	5.8
299.12839	9.9
301.14523	4.1
309.14948	3.2
313.14459	21.7
314.14682	2.5
315.15891	4.9
317.13821	6.0
320.06735	2.4
325.14432	15.8
326.34177	1.9
327.16086	2.2
331.15503	4.0
337.14532	8.8
343.15527	8.0
353.17267	3.4
355.15378	2.2
357.70798	2.0
359.16302	1.9
377.17441	4.9
379.15286	2.5
393.16910	2.4
395.18588	5.1
411.18359	1.8
413.19852	2.2
419.18637	16.6
437.19653	11.1
463.17670	7.0
481.18579	3.5
525.23505	2.0
553.21979	1.8
567.24548	6.2
591.24182	3.1
602.42456	1.8
610.15704	1.9
655.27509	2.1
673.29230	7.8
717.27649	7.2
747.35950	2.6
750.88861	2.0
759.36237	2.6
777.37183	18.5
778.37622	1.9
783.35602	2.6
789.37317	13.3
801.36475	9.5
803.68512	2.2
807.38123	13.6
859.40253	2.4
883.41455	14.4
901.40582	4.1
909.39142	10.9
927.40155	100.0
928.40259	18.0
945.41180	84.7
946.41492	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	945.411
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99828	2.3
69.03451	4.8
71.01385	5.9
80.02665	2.6
81.03448	10.6
83.01388	19.5
83.05016	4.5
85.02938	1.7
87.00876	1.5
89.02442	3.8
91.44086	1.3
93.03461	8.7
95.01352	2.6
95.05009	5.0
96.95998	4.6
97.02951	9.1
98.19851	3.3
99.04523	5.1
101.02431	3.7
107.05019	3.5
109.02950	12.1
121.02978	9.5
122.03732	4.6
123.04519	5.0
124.01659	2.4
125.02448	100.0
126.02772	2.3
127.82543	1.6
131.05038	1.5
133.02908	2.5
135.04520	6.5
137.02444	89.2
138.02750	1.6
139.03975	4.7
146.03732	29.7
147.04524	4.1
149.02440	4.1
150.03200	3.1
151.04050	7.5
159.04527	16.5
160.05229	6.6
161.02431	3.4
161.05995	3.0
162.03249	1.6
163.00323	2.8
163.03970	1.9
163.11220	2.9
164.01155	21.0
165.01930	56.9
165.12848	2.8
166.02388	2.4
167.03488	29.5
172.05295	8.6
173.06047	4.8
174.03209	16.6
174.06853	3.9
175.03992	5.5
176.04744	3.4
177.01900	9.1
179.03505	14.9
181.05109	1.8
183.04517	2.0
185.06030	2.9
186.06743	2.0
187.04033	7.1
188.04808	12.8
189.05531	3.8
191.03487	2.2
197.06032	2.2
198.06923	1.9
200.04793	7.4
200.08412	1.9
201.05530	5.6
204.04260	6.8
209.06041	3.2
209.11824	39.2
210.06885	2.3
210.12227	2.2
211.04024	3.2
211.07718	2.1
211.13350	3.4
212.04793	8.5
213.05495	4.2
222.06815	1.5
224.04813	2.6
225.05598	8.0
226.06247	3.3
237.05515	3.3
238.06432	1.6
239.07100	2.8
243.13811	3.6
251.07089	4.5
252.07855	4.0
253.12364	1.8
255.13971	2.8
265.08560	1.9
268.07370	2.5
269.07953	2.1
269.11884	6.9
270.08981	4.6
271.13406	40.3
272.13641	2.6
283.13229	3.8
285.03964	1.5
285.14993	4.8
287.13159	1.6
288.06232	2.0
289.14478	13.4
294.08948	4.4
295.13379	5.7
297.14923	4.4
299.12881	12.6
300.13324	1.9
301.14368	3.6
309.15079	2.1
313.14456	23.0
315.16034	4.3
317.13904	4.7
325.14505	18.3
327.16241	2.1
327.22458	1.6
331.15500	5.1
335.16605	4.1
337.14359	10.0
343.15659	7.2
351.16113	1.9
353.17657	2.1
355.15460	5.8
369.17029	2.0
377.17484	5.4
393.16736	2.2
395.18768	3.8
419.18619	20.4
437.19730	10.6
445.16852	2.7
463.17569	6.4
481.18640	4.2
486.94901	1.4
567.24457	9.1
579.24762	1.9
591.24835	2.2
649.29218	2.0
673.28455	7.6
717.27771	4.9
759.35858	1.8
763.36121	1.6
777.36731	21.5
778.37891	1.7
789.37207	14.8
790.37000	1.9
801.36816	9.3
807.38007	14.4
808.39203	2.3
859.41309	1.9
883.41345	12.2
901.40240	5.1
909.38995	6.6
927.40167	96.7
928.40601	15.2
945.41174	78.9
946.41675	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	939.183
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	0.8
68.99822	0.9
69.44968	0.7
69.45378	2.2
71.01006	0.7
71.01380	7.8
72.71861	0.5
72.99286	1.3
73.02940	1.1
75.00879	3.3
83.01367	1.2
85.02945	18.2
87.00876	2.4
89.02427	1.6
92.98432	0.4
95.00912	0.5
95.01394	5.4
99.00880	6.4
103.00375	2.3
107.01370	2.1
109.02958	1.0
113.02448	31.8
115.00369	1.3
117.01913	2.0
121.02934	1.1
125.17314	0.4
129.01930	1.3
133.02969	0.6
139.00372	0.4
148.47293	0.5
151.00360	8.9
157.01450	0.6
163.00330	1.4
175.02477	15.9
178.99849	3.6
183.04417	0.6
199.03961	0.7
202.02254	0.5
211.04048	1.1
227.03468	1.3
239.03561	0.6
243.02965	1.9
245.04533	1.0
255.02946	6.4
256.03674	3.4
257.04495	0.6
271.02484	9.8
273.03894	0.5
283.02374	0.7
284.03250	75.2
285.03867	11.7
286.04312	4.6
287.04666	2.3
299.05591	96.9
300.02716	18.4
300.05963	4.4
301.03522	27.4
302.03900	1.3
341.06711	0.7
371.07504	0.5
445.07745	25.5
446.07892	2.7
461.07040	2.7
462.07620	3.2
463.08670	10.7
464.09091	0.6
475.08795	100.0
476.09140	7.6
767.13867	0.5
773.31274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.183
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	0.8
68.99822	0.9
69.44968	0.7
69.45378	2.2
71.01006	0.7
71.01380	7.8
72.71861	0.5
72.99286	1.3
73.02940	1.1
75.00879	3.3
83.01367	1.2
85.02945	18.2
87.00876	2.4
89.02427	1.6
92.98432	0.4
95.00912	0.5
95.01394	5.4
99.00880	6.4
103.00375	2.3
107.01370	2.1
109.02958	1.0
113.02448	31.8
115.00369	1.3
117.01913	2.0
121.02934	1.1
125.17314	0.4
129.01930	1.3
133.02969	0.6
139.00372	0.4
148.47293	0.5
151.00360	8.9
157.01450	0.6
163.00330	1.4
175.02477	15.9
178.99849	3.6
183.04417	0.6
199.03961	0.7
202.02254	0.5
211.04048	1.1
227.03468	1.3
239.03561	0.6
243.02965	1.9
245.04533	1.0
255.02946	6.4
256.03674	3.4
257.04495	0.6
271.02484	9.8
273.03894	0.5
283.02374	0.7
284.03250	75.2
285.03867	11.7
286.04312	4.6
287.04666	2.3
299.05591	96.9
300.02716	18.4
300.05963	4.4
301.03522	27.4
302.03900	1.3
341.06711	0.7
371.07504	0.5
445.07745	25.5
446.07892	2.7
461.07040	2.7
462.07620	3.2
463.08670	10.7
464.09091	0.6
475.08795	100.0
476.09140	7.6
767.13867	0.5
773.31274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	1.6
69.41870	5.2
69.42215	0.7
71.01393	4.4
71.67912	0.6
72.99307	1.1
75.00864	1.3
75.10152	0.7
85.02946	5.2
86.87317	0.6
87.00849	1.4
89.02440	2.2
95.01383	1.5
96.52934	0.6
99.00886	1.8
101.02440	1.4
107.01381	2.9
109.02937	1.4
113.02431	5.1
115.00417	0.7
119.05016	1.6
120.99570	1.0
121.02934	2.0
125.02477	0.8
133.02968	5.1
142.04117	0.6
149.02441	2.1
151.00383	9.8
163.03967	1.4
165.01952	0.8
175.02606	0.9
175.04007	2.2
178.99847	2.8
185.06042	0.9
186.22777	0.7
199.03963	2.6
215.03485	1.4
217.05109	1.1
229.05135	0.8
231.69196	0.8
255.03075	4.6
257.04532	2.0
283.02475	4.9
285.04031	100.0
286.04352	7.1
288.10516	0.7
301.03516	79.5
302.03842	5.2
327.05032	1.8
345.15506	4.0
371.03802	1.1
373.05804	1.0
406.72601	0.7
459.05533	0.9
461.07251	55.3
462.07574	5.9
463.07822	1.0
477.06744	44.2
477.19543	10.5
478.07114	5.2
604.92908	0.8
903.64075	0.8
939.29852	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53690	1.2
71.01383	5.8
71.64886	1.2
77.26412	1.2
83.05000	1.7
85.02941	2.8
87.00849	2.4
89.02466	7.8
89.51167	1.2
91.01228	1.2
95.05067	1.4
97.02939	1.8
101.02444	8.9
113.02423	3.8
116.92889	1.9
119.03478	3.1
125.02409	3.4
129.01929	1.2
143.03447	1.8
149.04472	1.6
161.04558	2.6
163.11320	2.4
165.12881	1.4
177.83347	1.2
179.05603	5.1
195.13858	4.1
209.11826	70.6
210.12219	2.1
223.13327	2.4
227.12860	15.4
228.13354	1.5
233.29973	1.2
235.08205	2.6
275.20096	2.3
293.21237	100.0
294.21552	4.8
305.08826	1.7
313.00604	1.3
323.10004	2.3
379.12399	4.7
397.13474	50.6
398.14005	2.1
415.14713	12.8
511.50870	1.7
589.24805	4.4
607.26160	13.0
608.26862	1.7
673.34314	4.9
691.34857	2.9
883.46747	3.6
929.84943	1.6
937.45728	49.5
938.45789	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	937.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	0.4
65.16866	0.2
71.01386	2.9
71.53381	0.2
72.85049	0.2
72.99316	0.5
73.02963	0.2
75.00864	1.0
83.01417	0.4
85.02958	5.6
87.00869	0.9
89.02443	0.5
91.53167	0.2
95.01390	1.6
99.00896	1.7
103.00368	0.6
107.01414	1.2
109.02947	0.7
113.02451	5.4
115.00389	0.6
117.01935	0.4
121.02975	0.2
125.02448	0.4
127.02840	0.2
129.01932	0.4
132.02196	0.2
133.02953	5.3
137.54361	0.2
148.17734	0.2
149.02406	1.2
151.00356	3.6
157.23277	0.2
171.04546	0.3
174.03291	0.2
175.02454	1.8
175.03995	1.8
177.23239	0.2
185.06055	0.3
187.04042	0.3
197.06053	0.4
199.03995	2.0
201.01920	0.9
213.05591	0.5
215.03531	0.3
217.04994	1.1
229.05067	0.2
241.05042	0.6
243.03015	0.6
256.03799	0.5
257.04501	0.6
267.02835	0.3
268.03897	0.4
269.04428	0.2
284.03259	11.5
285.04031	100.0
286.04401	5.3
297.03961	0.5
298.04807	0.4
299.05600	13.7
300.05978	0.6
315.05054	0.5
327.05121	1.2
357.06046	1.0
381.06049	0.5
417.38153	0.2
461.07254	56.3
462.07608	4.3
475.08813	9.9
476.09052	0.9
959.96985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.4
71.01381	9.8
71.43279	0.5
72.99314	0.7
73.02944	1.8
75.00871	0.4
80.02673	1.1
81.03454	1.6
83.01365	1.6
83.05022	4.2
84.02172	0.9
85.02940	5.9
87.00861	2.2
89.02436	8.6
95.01381	1.0
95.05029	1.2
96.96000	2.1
97.02956	2.2
97.06589	2.0
99.00846	0.5
101.02447	7.7
109.02990	0.5
113.02435	3.9
115.04028	0.3
119.03490	2.3
119.08610	0.4
119.38812	0.3
125.02434	3.9
125.06095	0.5
125.09699	1.1
127.11286	1.0
131.03529	0.4
135.08156	0.7
137.09694	1.2
143.03513	1.4
155.10791	0.8
155.14406	0.4
161.04605	1.6
163.04025	0.3
163.11285	3.7
165.12811	2.8
167.03477	0.7
167.14435	0.5
171.10255	14.6
177.12816	0.5
179.05597	3.4
181.12383	0.7
183.13850	2.5
185.11838	1.1
187.03946	0.3
191.10704	1.0
193.12273	1.1
197.11798	0.4
199.13339	0.4
201.11333	1.0
203.10855	0.4
209.11812	61.2
210.12138	2.7
211.13390	13.7
212.13773	0.8
221.06660	1.6
221.11826	2.1
227.12883	7.0
229.14424	10.7
235.08205	3.8
239.12869	1.9
245.06744	0.4
253.09267	0.8
263.07605	0.4
283.37787	0.3
287.07782	1.0
291.19629	4.2
305.08722	1.5
309.20694	9.0
310.20953	0.4
323.09830	0.7
327.21744	100.0
328.22134	6.7
369.22696	0.5
379.12387	0.9
397.13483	30.0
398.13742	1.6
415.14539	16.4
416.14655	0.8
417.82629	0.4
519.32990	1.6
520.34180	0.4
537.34448	0.7
545.29883	0.5
607.26050	3.2
707.35071	6.1
708.35443	0.4
725.36176	3.7
726.36353	0.7
746.84705	0.3
808.89783	0.4
917.45447	0.4
935.49677	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
66.83382	1.2
71.01369	8.1
71.54270	2.1
75.99051	1.2
81.03476	2.1
83.05007	3.6
85.02952	1.4
87.00899	2.1
89.02457	8.2
96.95996	10.8
97.02968	2.6
99.00829	1.5
101.02429	5.7
113.02461	4.9
119.03492	2.3
125.02443	10.8
137.02444	3.4
137.67676	1.2
161.04520	1.9
163.11333	2.1
165.12848	1.9
167.03453	2.7
172.60785	1.4
176.54112	1.2
177.01894	3.0
179.05597	3.6
209.11816	100.0
210.12134	4.4
227.12895	26.5
235.08130	2.6
277.46008	1.4
309.20831	1.6
323.09631	1.9
327.21854	7.6
379.12482	10.5
397.13577	29.8
398.13736	2.0
415.14536	6.4
589.25153	22.7
590.25269	2.1
607.26172	17.9
682.01141	1.5
769.33661	1.7
799.37811	11.5
800.38525	2.6
817.38617	2.6
835.39734	5.2
836.39923	2.3
935.42499	48.9
936.43207	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	933.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
68.64669	0.2
71.01396	0.4
71.54069	0.3
79.33814	0.2
80.02716	0.3
81.06665	0.2
83.05040	0.5
85.71655	0.2
86.21992	0.2
94.71259	0.2
96.96021	0.7
110.33479	0.2
111.08167	1.0
125.02425	0.4
137.02423	0.3
146.73347	0.2
161.04576	0.2
163.04131	0.3
163.11346	0.3
165.12845	22.4
166.13123	1.0
181.12358	0.3
183.13895	94.3
184.14232	3.1
191.10852	0.4
209.11824	13.0
210.12129	0.5
227.12878	100.0
228.13200	3.7
235.08369	0.3
242.02567	0.2
253.09258	0.7
262.54306	0.2
310.62885	0.3
445.20529	0.4
763.99915	0.3
955.79681	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66718	2.8
71.01378	13.1
72.99311	1.2
73.02971	1.2
75.00819	1.0
78.81801	1.0
80.02684	1.1
81.03458	1.9
83.01391	1.4
83.05025	4.4
84.02149	1.0
85.02955	3.4
87.00874	3.9
89.02463	10.0
95.05019	1.3
97.02974	1.7
101.02459	9.5
113.02452	6.4
116.92827	1.2
119.03486	2.1
125.02440	3.9
125.06160	1.3
126.07282	0.9
138.74039	1.0
143.03485	2.3
145.04962	1.3
160.83705	1.0
161.04544	2.6
163.11279	4.3
165.12822	2.1
171.10284	1.4
179.05632	2.8
195.13947	6.9
209.11823	88.3
210.12169	4.7
211.13403	2.9
221.06554	1.2
223.13438	4.2
225.11195	1.2
227.12904	10.1
235.08238	3.3
253.09341	1.1
275.20050	5.2
287.07626	2.2
293.21228	100.0
294.21503	4.4
305.08844	2.2
309.20618	3.1
314.27139	1.0
345.17517	1.1
379.12317	4.1
397.13474	32.7
398.13739	1.6
415.14688	13.0
438.49701	1.1
476.82883	1.1
607.26068	4.2
610.38342	1.3
673.34460	3.4
691.35284	2.7
918.72644	1.2
933.44031	1.3
969.08545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.462
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	34.5
84.35224	5.7
89.02434	11.9
96.96024	55.5
101.02431	10.5
113.02460	11.5
113.32202	5.9
116.92854	7.2
125.02441	9.2
131.12628	5.7
149.85120	5.4
163.03896	5.6
182.54716	5.6
195.13919	8.4
204.99673	6.2
205.12267	8.8
223.13377	58.9
224.99117	7.1
233.61575	6.2
235.08298	7.8
254.21524	5.9
261.26648	5.5
275.20306	7.0
291.75140	5.3
293.21201	100.0
294.21362	9.2
309.20618	6.1
397.13376	39.0
415.14557	20.6
447.53262	6.1
514.00360	5.8
603.26331	10.1
621.27484	24.7
672.37451	7.3
691.35553	16.3
897.48309	35.4
933.46191	93.5
934.46716	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.504
Annotation	Unknow
Peak:m/z	Relative Intensity
67.36224	3.3
68.20912	2.6
68.22136	2.8
69.51878	20.8
71.01373	12.1
78.95885	2.8
84.98502	2.8
87.00848	3.8
89.02444	10.6
98.19932	5.7
101.02436	7.1
113.02456	5.8
125.02429	4.3
161.04536	6.1
163.11275	3.8
209.11813	93.5
227.12898	25.3
235.08252	6.2
255.23267	48.4
266.71173	3.0
269.45029	2.8
287.07730	3.5
379.12509	24.6
397.13483	54.2
404.34473	3.2
415.14206	5.3
527.63916	3.0
589.25098	17.3
607.26245	7.0
635.36444	14.0
636.36981	3.1
653.37329	19.2
845.49573	11.2
931.50433	100.0
932.50299	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	49.5
71.51232	29.6
71.51704	28.3
78.95932	40.1
89.02450	39.7
106.06830	31.5
125.02448	27.8
209.11786	89.4
211.13397	100.0
212.13670	54.3
220.85567	36.9
227.12898	42.3
255.23373	29.0
272.06155	26.0
277.21741	44.4
278.21970	54.6
280.00491	28.9
284.60083	31.3
295.32281	25.1
397.13605	47.6
398.13684	46.9
423.46454	27.4
926.35193	33.0
932.51611	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01910	0.4
68.99805	1.0
69.40804	0.6
69.41216	1.7
71.01380	8.8
72.99297	2.1
73.02961	0.5
75.00867	2.4
77.58553	0.3
83.01369	2.7
84.02155	2.5
85.02950	92.1
86.03289	1.1
87.00878	1.2
87.23933	0.3
89.02440	2.7
93.03471	1.3
94.03765	0.3
99.00893	0.5
101.02452	1.0
103.00369	1.5
108.26740	0.2
109.02950	0.8
111.00875	5.1
115.00371	1.4
119.05025	3.4
120.05373	0.4
123.04504	0.3
125.02454	2.8
126.02841	0.4
129.01938	7.9
133.01430	4.0
135.04530	2.9
136.04851	0.9
137.02434	0.9
145.01463	0.4
145.02959	0.4
147.02991	9.7
151.04028	0.3
156.07458	0.3
161.02431	0.9
163.02728	0.5
163.04002	3.8
164.04372	0.6
165.04034	0.5
173.00899	2.8
173.04536	3.7
174.04857	1.2
177.01929	0.4
179.03493	2.6
180.03867	0.6
191.01971	58.8
191.05554	3.4
192.02289	1.1
192.05907	0.7
209.03020	100.0
210.03375	1.9
287.05566	0.3
289.07205	1.4
290.07513	0.3
310.28302	0.3
337.05475	1.2
337.09271	0.9
338.09781	0.6
339.09848	0.4
353.08743	2.6
354.09073	1.7
355.06662	42.1
356.06970	2.0
399.04852	0.3
407.07678	0.8
408.08231	0.3
409.08334	0.3
410.48477	0.3
418.27444	0.3
425.08725	1.2
426.09122	0.5
427.09570	0.3
577.13116	0.8
578.13818	0.6
579.14111	0.7
594.13788	0.5
595.15027	1.0
648.54095	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46870	17.1
71.01364	26.0
84.27325	13.8
90.44321	18.1
98.19862	39.8
99.46205	15.2
101.02484	21.4
119.77406	14.4
125.02419	44.8
135.04489	36.0
150.23930	16.2
209.11832	100.0
210.12134	46.5
211.12296	18.0
227.12851	30.2
271.06140	23.7
397.13885	21.3
420.33356	18.1
610.83612	19.6
725.32214	16.1
807.92938	19.5
930.41229	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	931.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01887	3.2
69.03461	0.6
71.01369	2.6
71.52763	0.7
81.03468	1.4
83.01392	1.5
83.05020	1.5
85.02952	7.1
87.00888	1.5
93.03455	24.4
94.03754	0.6
95.05054	0.8
97.02979	1.8
99.04530	0.8
107.05065	1.6
108.02182	0.7
109.02950	7.6
111.00871	1.0
111.04530	4.9
113.02471	0.7
119.05023	16.2
121.02924	1.8
123.04545	4.3
125.02447	33.5
127.04008	2.0
133.02943	3.3
134.03793	3.4
135.04527	71.2
136.04849	1.6
137.01457	1.1
137.02443	13.0
139.03967	1.7
149.02437	2.1
151.04012	4.3
155.03496	5.0
159.04527	1.1
161.02448	12.4
161.06087	1.5
162.03159	1.5
163.00395	1.1
163.04013	30.1
164.01155	1.8
164.04326	1.5
165.01941	2.2
167.03465	1.7
173.04547	87.1
174.04922	2.3
175.03996	3.4
177.01930	4.8
179.03497	58.0
180.03937	2.7
180.05156	0.5
185.06120	0.6
187.03928	2.7
188.04781	0.8
191.05609	52.0
192.06001	1.7
203.07166	3.3
205.05095	2.7
209.03011	0.6
211.04068	0.6
212.04744	0.7
214.02785	0.7
215.03471	1.1
221.08282	0.6
225.83620	0.5
227.03543	0.7
227.07092	1.0
229.05070	1.2
230.28085	0.5
241.05110	0.6
243.02919	1.7
244.03641	0.6
245.04544	2.2
245.08154	4.7
255.02946	3.7
256.03571	1.3
257.04453	1.3
273.04022	1.6
281.04465	1.9
283.02435	0.7
285.04184	1.3
287.05576	4.2
289.07184	20.3
299.05600	1.8
303.05005	0.8
305.06683	0.6
337.09286	22.0
338.09680	1.7
339.08749	1.3
353.08768	100.0
354.09128	5.1
407.07712	19.2
408.08017	1.1
425.08783	21.6
426.09378	1.7
451.10391	5.4
455.09631	1.4
467.09863	1.2
559.12518	1.0
577.13513	22.1
578.13574	3.0
593.13092	8.7
594.13342	1.2
931.38501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
66.23327	3.2
71.01378	15.4
86.53119	3.5
89.02453	12.1
101.02444	13.9
113.02451	5.7
119.03456	5.5
125.02502	3.8
150.83682	3.2
158.03650	3.6
161.04585	4.9
163.11174	4.5
179.05644	4.4
190.78432	3.3
209.11829	100.0
227.12944	23.6
245.15448	3.8
283.26379	57.6
287.07736	4.0
336.83652	3.9
379.12384	13.0
397.13519	71.6
415.14355	10.2
589.25061	8.5
607.26251	8.9
650.97675	4.6
663.39075	10.1
681.40259	13.0
873.52527	5.9
927.50873	60.0
928.50647	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	929.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	1.6
71.01019	1.3
71.01383	17.2
72.99304	1.9
73.02934	3.4
83.01414	1.5
85.02948	2.6
87.00871	3.8
89.02448	11.7
93.11631	1.0
97.02942	1.9
101.02438	12.0
113.02463	7.2
115.98004	1.3
119.03510	4.1
125.02436	5.4
131.03452	1.4
143.03496	3.0
161.04517	3.6
179.05592	3.9
183.13916	6.4
193.12256	2.3
199.06059	1.3
211.13387	100.0
212.13733	4.8
235.08192	4.9
277.21725	49.6
278.22061	3.3
323.09445	1.4
379.12476	11.3
397.13498	40.3
398.13376	1.5
415.14700	8.3
420.55832	1.9
591.26563	8.5
609.27753	8.5
657.34747	1.9
675.36011	2.6
869.49103	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	927.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84268	0.2
65.00343	0.2
67.01878	0.6
68.99809	0.7
69.86827	0.9
69.87226	0.5
71.01380	7.7
72.01705	0.3
72.88783	0.2
72.99298	1.8
73.02942	0.8
75.00868	3.7
81.03462	0.4
83.01369	1.1
84.02180	0.3
85.02947	18.8
86.03275	0.4
87.00874	3.0
89.02431	1.6
93.03466	1.3
94.74786	0.2
95.01386	5.6
99.00874	7.0
101.02448	0.3
103.00375	2.8
111.00858	0.4
111.04487	0.3
113.02448	30.6
114.02753	0.6
115.00385	1.6
117.01959	1.6
123.04514	1.5
125.02451	1.5
129.01947	1.8
134.03693	0.5
137.02449	0.9
139.00374	0.5
151.00327	0.9
157.01408	0.5
167.03499	3.4
169.01421	0.5
172.05258	0.4
173.04546	3.5
174.04881	0.9
175.02475	14.5
187.07616	2.9
188.07973	1.7
189.08052	0.4
191.05620	1.1
192.06026	0.4
199.04018	0.3
202.06253	0.5
211.03871	0.3
213.09248	0.5
227.03438	0.4
231.06578	0.9
231.10152	1.2
232.07004	0.4
232.10529	0.7
233.10789	0.3
236.03255	0.3
255.03009	0.4
256.03757	4.5
257.04037	0.4
271.06091	0.3
275.09244	2.6
276.09555	2.1
277.09772	0.6
284.03244	79.7
285.03616	5.2
289.07224	3.1
298.04608	0.3
299.05582	100.0
300.05914	6.2
318.97708	0.3
341.06705	0.7
371.07968	0.3
396.87500	0.3
449.14410	1.2
450.14996	1.2
451.08914	0.8
451.15149	0.8
475.08783	91.9
476.09146	7.9
477.09198	0.5
674.47186	0.3
782.35193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	6.0
71.53807	0.4
72.99309	1.8
73.02940	0.8
73.33244	0.3
75.00838	0.4
80.02683	0.9
81.03446	1.3
81.45692	0.3
83.01386	0.8
83.05029	5.3
84.02171	0.9
85.02953	1.7
87.00873	1.5
88.98804	1.6
89.02447	5.0
93.03448	0.4
95.01379	0.5
95.05025	0.4
97.02962	0.7
100.77363	0.4
101.02445	5.2
106.59185	0.3
109.02915	0.4
113.02433	2.8
115.57542	0.3
119.03481	1.6
119.05035	0.4
125.02437	3.1
125.06078	0.6
131.03499	0.4
135.08153	0.6
143.03506	1.1
147.97769	0.3
161.04517	1.5
163.11275	3.9
165.12825	2.4
167.03426	0.5
179.05533	1.5
181.12395	0.4
191.10760	1.0
209.11816	100.0
210.12157	3.7
221.06836	0.5
227.12874	15.8
227.15135	0.8
228.13196	0.7
235.08202	2.5
251.12839	0.4
254.65399	0.3
287.07739	0.8
305.08871	0.8
317.07410	0.3
323.09790	0.7
379.12396	4.8
397.13504	21.5
398.13971	0.7
415.14566	4.0
419.24066	0.4
588.73315	0.4
589.25085	3.5
596.00043	0.4
607.26044	5.5
608.26642	0.5
799.37994	1.4
817.39020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	31.6
87.49776	17.9
91.59310	16.0
114.73261	16.3
114.99648	18.0
116.58918	19.8
141.27843	16.9
163.11081	18.5
209.11795	100.0
210.12173	52.1
214.37538	17.6
255.23357	26.6
256.23730	19.1
395.87134	22.1
397.13303	19.9
617.34796	21.3
631.69397	18.9
898.82880	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02437	37.3
98.19833	37.5
125.02382	32.2
127.05025	27.2
209.11794	100.0
210.12207	56.1
229.31769	38.0
248.69461	26.1
255.23279	99.8
256.23795	40.4
397.13287	53.7
399.14209	42.5
459.95834	28.2
543.25568	31.6
738.70410	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01893	4.5
69.03457	1.5
69.60474	0.8
69.60888	1.5
71.01382	4.6
72.99309	0.7
75.00877	0.9
81.03486	0.7
83.05036	0.6
85.02948	9.4
87.00863	3.3
89.02432	0.5
93.03461	24.1
95.01407	2.2
98.20636	0.6
99.00887	1.7
109.02964	1.7
111.00883	0.7
111.04546	4.7
113.02441	7.4
117.01899	0.4
127.04023	1.7
130.04216	0.7
135.04555	0.6
137.02437	5.3
148.16083	0.4
149.06058	0.9
151.00330	0.5
151.07634	0.7
155.03503	6.0
158.03764	1.8
159.04530	2.4
159.08093	0.6
172.05299	8.8
173.04558	73.5
173.06010	5.7
174.04926	1.8
174.06653	0.5
175.02480	2.8
175.07610	0.5
183.04553	1.0
184.05232	1.1
185.06055	0.6
187.04173	3.4
187.07640	100.0
188.04535	0.5
188.07994	5.3
191.05608	38.2
192.05977	0.7
195.08173	0.6
197.06007	0.6
198.06841	0.7
199.03918	0.7
200.04808	1.2
201.05566	6.5
201.09186	0.5
202.06342	16.8
203.06886	0.8
203.10767	1.5
203.44656	0.5
204.04272	2.0
213.09200	12.1
215.07098	6.7
216.07819	1.3
227.03439	1.1
228.04274	0.8
229.08691	3.2
230.09352	0.5
231.04265	1.0
231.06615	27.9
231.10258	42.0
232.06943	1.0
232.10620	1.7
256.03729	0.8
257.08194	11.7
269.04468	0.6
270.04843	0.6
275.09244	88.9
276.09564	4.4
284.03275	15.2
284.06485	0.8
285.03711	3.5
286.03870	1.4
299.05597	18.6
300.05917	3.5
301.03192	0.7
301.06183	1.7
302.06662	0.5
305.29190	0.5
405.11880	3.7
413.92938	0.5
447.09018	0.6
448.09814	0.4
449.14526	59.9
450.14816	5.3
454.17877	0.4
475.08752	13.4
476.09259	3.2
477.09299	1.5
658.90735	0.6
686.39264	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	0.5
69.15233	2.1
71.01380	2.2
72.99313	0.4
73.02957	0.3
75.00867	0.6
83.01386	0.5
85.02947	2.6
87.00864	0.8
89.02435	0.4
95.01397	0.5
99.00903	1.1
107.01377	1.2
108.69434	0.2
109.02943	0.4
113.02444	2.3
115.00375	0.4
118.52917	0.2
121.02948	0.4
125.02486	0.4
129.01942	0.3
133.02948	4.3
134.03235	0.2
135.04521	0.3
149.02454	1.1
151.00368	4.2
163.00363	0.2
171.04564	0.2
174.27448	0.2
175.02530	0.3
175.03946	1.5
177.01962	0.3
185.06105	0.5
187.04126	0.2
192.75546	0.2
195.79930	0.2
197.06059	0.5
198.03110	0.3
199.04010	2.2
201.01936	0.7
213.05600	0.5
217.05064	1.0
227.03537	0.2
229.04848	0.3
237.81441	0.2
241.04971	1.9
243.02922	1.2
244.03474	0.2
255.02982	1.9
257.04675	0.3
267.03006	0.4
271.02457	3.7
272.03003	0.3
284.03247	0.5
285.04028	100.0
286.04376	6.2
286.07376	0.4
287.04617	0.4
297.04068	0.5
299.02130	0.3
300.02722	7.5
301.03488	2.6
327.05011	1.5
355.04477	0.3
357.06174	0.8
369.06049	0.4
381.06210	0.2
461.07233	63.5
462.07611	5.4
463.08719	5.7
464.09073	0.7
704.58899	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
66.57589	0.4
67.20060	0.4
69.03450	0.7
70.39155	0.3
71.01381	0.5
71.53014	0.6
77.55328	0.4
85.02910	0.4
93.03437	1.3
106.65334	0.4
117.03454	1.4
119.04993	0.5
125.02451	0.9
135.04526	0.4
139.11267	1.5
149.02492	0.5
159.04454	0.6
161.02414	1.4
163.03961	0.6
173.04564	0.7
175.03951	0.7
183.10254	4.3
191.03416	0.4
191.05449	0.4
198.17352	0.4
203.03557	0.8
205.05038	0.6
217.04945	0.4
233.04539	0.6
267.06277	0.4
282.05585	0.9
283.06110	1.7
295.06052	1.8
296.06815	1.6
297.07663	9.5
307.06219	1.2
309.07703	1.1
311.05524	1.5
323.05588	2.0
325.07098	3.5
328.05951	1.9
335.05576	0.8
337.07126	1.4
353.06659	24.9
354.07019	1.5
355.08273	0.8
356.05756	0.5
357.15479	3.9
365.06757	2.8
383.07675	18.9
384.08160	1.4
395.07687	1.8
397.09570	0.6
413.08777	1.7
425.08896	2.2
443.09808	2.5
473.10873	3.1
503.12106	2.3
545.12451	0.7
563.14038	100.0
564.14453	7.6
926.40369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.173
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00345	0.4
67.01888	0.4
68.99816	0.4
69.18779	0.5
69.19196	1.4
71.01383	10.2
72.64159	0.2
72.99306	1.7
73.02938	1.1
75.00874	4.5
83.01398	0.7
84.02168	0.3
85.02950	21.4
86.03289	0.3
87.00880	3.1
88.95606	0.2
89.02443	1.3
91.09210	0.2
95.01393	6.0
99.00881	6.7
101.02425	0.2
103.00369	2.8
107.01406	0.9
111.00876	0.5
113.02451	34.8
114.02814	0.5
115.00354	1.9
117.01950	2.4
117.03463	0.9
120.25476	0.2
129.01947	1.4
133.01440	0.2
133.02950	0.2
134.03752	0.5
139.00375	0.4
149.02429	0.3
151.00336	1.2
157.01425	0.8
159.04587	0.3
161.02417	0.2
175.02473	16.2
176.02792	0.2
181.06598	0.2
183.04514	0.2
200.04779	0.3
211.04112	0.3
212.04884	0.3
224.37321	0.2
227.03453	0.7
255.02998	0.4
256.03741	4.6
257.04218	0.2
269.04538	16.1
270.04855	1.0
283.02457	0.6
284.03247	81.2
285.03598	4.9
298.04498	0.4
299.05588	100.0
300.05908	5.4
341.06635	0.7
371.07693	0.4
445.07764	3.5
446.07947	0.3
475.08798	83.1
476.09174	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	917.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	0.8
71.01379	17.7
71.51318	0.9
71.53542	0.6
72.99299	2.3
73.02950	2.0
80.02672	1.1
81.03453	1.9
83.01391	1.8
83.05022	5.2
85.02959	2.9
87.00864	4.8
89.02447	12.7
92.73229	0.7
95.01379	1.1
95.05011	0.7
96.96001	5.0
97.02938	2.6
101.02440	11.6
111.04603	0.7
113.02461	7.6
116.92787	0.7
119.03497	3.1
125.02453	5.5
135.08128	0.9
143.03506	1.8
149.02551	0.8
161.04515	2.9
163.11279	2.9
165.12843	1.8
179.05661	3.3
191.10814	0.9
201.11340	1.5
209.11816	100.0
210.12169	4.6
217.07161	1.0
221.06644	0.7
227.12859	13.0
235.08279	4.2
246.05545	0.7
255.23430	1.0
277.21719	51.8
278.22107	3.9
287.07730	2.7
293.21121	0.9
305.08884	2.4
323.09857	1.4
379.12445	9.1
397.13501	42.7
398.13843	3.3
415.14597	10.1
556.27875	0.7
589.24841	1.1
607.26129	1.8
657.34778	1.0
675.35492	1.8
769.47650	0.8
917.48444	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	917.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	1.7
69.33217	4.4
71.01006	1.0
71.01384	13.9
71.71766	0.6
72.99315	1.1
73.02953	2.6
80.02654	1.1
81.03455	2.1
83.01387	1.8
83.05031	5.5
85.02951	5.1
87.00883	3.0
89.02441	11.6
95.01395	1.4
95.05009	1.1
96.96008	2.1
97.02952	3.1
99.00875	0.9
101.02441	12.4
102.18673	0.6
105.55983	0.6
109.02978	0.5
109.06557	0.9
111.08128	1.5
112.98585	1.2
113.02457	7.4
116.92857	1.2
119.03516	3.2
121.10241	1.1
125.02447	6.1
125.06016	0.8
125.09723	1.7
127.52959	0.5
137.09692	1.1
143.03522	2.7
161.04561	2.9
163.11241	4.2
165.12856	3.6
167.03467	1.0
171.10258	13.9
172.10612	0.6
179.05606	4.0
183.13898	0.9
185.11818	1.6
187.05846	0.5
191.10788	1.8
193.08827	0.6
195.13922	1.0
197.11803	2.7
199.13394	2.3
209.11821	100.0
210.12148	4.1
211.13400	20.1
212.13841	0.7
221.06653	2.0
221.15585	0.8
223.13425	0.6
223.17084	2.9
227.10741	1.1
227.12878	18.5
228.13197	1.5
231.54561	0.6
233.15454	1.5
235.08177	3.6
243.66229	0.5
251.12512	0.7
251.16508	10.9
252.16687	0.7
253.09361	0.9
287.07770	2.0
289.18161	1.7
290.18359	0.9
291.19656	32.7
292.19974	1.9
305.09003	2.7
309.20712	25.0
310.21085	1.6
323.09891	1.2
327.46048	0.6
359.54489	0.6
379.12454	8.0
395.86920	0.6
397.13510	38.3
398.13858	2.5
415.14584	10.1
490.33789	0.6
502.53741	0.6
519.34515	0.6
551.23700	1.0
569.24048	1.0
589.25031	1.4
591.26752	1.0
604.81421	0.6
607.26025	3.9
609.27893	1.1
625.27264	0.8
658.75708	0.6
671.32800	1.5
689.33710	2.4
690.35211	0.7
700.40088	0.7
707.35046	1.3
854.31415	0.7
881.44812	1.0
899.46411	1.1
917.47278	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	917.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
68.70208	0.2
68.99784	0.4
69.03461	1.7
71.01383	13.6
72.99298	1.1
73.02947	2.9
75.00854	0.3
80.02679	1.2
81.03456	2.6
83.01385	2.1
83.05029	6.1
83.05492	0.2
84.02164	0.9
85.02947	3.6
87.00874	3.6
89.02444	13.1
93.03462	0.4
95.01384	1.0
95.05020	0.7
96.96018	0.6
97.02944	3.9
97.06589	0.7
99.00892	1.0
101.02443	12.4
109.02920	0.3
109.06617	0.6
111.04498	0.6
111.08163	4.8
113.02438	6.6
119.03500	3.3
121.02885	0.3
121.10242	0.3
123.04603	0.3
125.02443	4.7
125.06100	0.7
125.09732	0.7
127.07661	0.3
127.11337	0.3
131.03535	0.6
135.08144	1.0
137.09735	0.8
139.04015	0.5
141.01932	0.4
143.03535	2.2
145.05025	0.3
149.04604	0.4
153.12854	0.5
161.04562	3.2
163.11290	5.8
164.11670	0.3
165.12836	4.2
165.92729	0.4
167.03633	0.3
167.10782	0.4
169.12334	2.0
171.10229	2.3
179.05606	3.7
179.10643	0.4
181.12347	2.3
183.13936	0.6
185.04549	0.3
191.10771	0.9
193.12344	0.7
193.15933	0.3
197.11827	24.7
198.12148	0.7
199.06004	0.3
199.13383	1.3
201.11470	0.3
209.11819	100.0
210.12180	4.4
211.13417	4.5
211.15210	0.5
212.13699	0.3
217.07071	0.4
221.06729	1.6
223.13335	0.4
225.11369	0.7
227.12874	13.9
228.13231	0.6
235.08223	4.2
239.12849	0.3
247.20605	1.4
253.09227	1.0
259.08167	0.3
263.07516	0.5
263.20151	1.4
265.18188	0.8
273.18735	0.9
287.07751	1.0
289.18091	0.4
291.19662	18.8
292.20056	0.7
293.21225	1.1
294.21533	0.3
305.08914	2.1
309.20700	78.0
310.21051	4.5
323.09824	1.1
325.20306	0.8
333.20276	0.3
379.12448	3.3
381.37885	0.3
397.13501	38.4
398.13974	1.8
415.14584	14.4
416.15073	0.6
427.44217	0.3
432.70895	0.3
501.32138	0.5
517.64227	0.3
589.25128	0.4
607.25940	3.1
689.33411	1.6
690.34119	0.4
707.35248	1.9
708.36298	0.3
899.46655	0.7
917.47217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	0.7
71.53071	0.3
83.01368	0.4
85.02946	0.9
87.00858	0.4
93.03440	0.9
107.01376	1.2
108.02137	0.3
109.02940	0.9
119.05019	0.8
121.02940	0.7
122.14026	0.3
123.04523	0.3
124.22074	0.3
125.02438	1.2
133.02916	0.7
135.00902	0.6
137.02429	0.4
148.97684	0.3
149.02477	0.7
151.00369	5.0
151.03975	0.5
152.58641	0.3
159.04547	0.4
163.00346	2.2
163.03987	1.3
164.01140	0.5
165.01857	0.4
167.03433	0.4
169.01428	0.3
173.04539	1.3
174.03287	0.3
175.03996	0.7
178.99829	2.4
190.02634	0.3
191.05600	0.9
197.05974	0.4
199.03912	0.6
201.01936	0.3
211.03928	0.4
213.05655	0.4
216.04291	0.5
217.05005	0.5
225.05542	1.0
226.02699	2.2
227.03427	1.3
235.03870	0.5
241.05182	0.4
243.02956	6.3
243.06630	0.5
253.05057	1.0
254.02127	2.8
255.02933	5.1
256.03564	0.4
257.04474	0.3
271.02463	35.1
272.02985	2.8
281.04465	0.9
282.05093	0.3
285.04037	11.8
286.04379	8.1
287.04584	2.8
287.15198	0.4
300.02731	50.0
301.03442	15.4
302.03763	0.9
325.03525	0.9
337.09161	0.7
343.04605	1.0
365.06790	0.4
407.07425	0.9
450.20395	0.3
451.06598	1.2
461.07181	3.9
462.07590	5.3
463.08768	100.0
464.09094	8.3
625.12006	1.2
915.19324	0.4
921.06763	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
67.95928	8.1
71.01376	19.9
71.52876	10.8
81.03449	9.8
89.02452	18.7
101.02457	8.5
113.02448	16.5
116.92862	20.8
117.92849	9.4
125.02422	26.7
130.02261	7.7
166.13275	8.3
169.01305	11.3
171.10280	13.0
177.01883	9.5
209.11818	100.0
210.12184	18.3
211.13420	27.8
212.13687	10.0
254.44881	9.2
289.18073	20.5
305.06528	11.1
307.19211	21.0
322.90079	10.3
397.13443	28.8
405.66678	9.4
415.14294	13.9
449.28802	9.4
459.66290	8.3
816.34821	9.0
823.83313	9.4
882.85406	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	915.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03467	1.0
69.68136	3.8
70.27174	0.6
71.01387	0.8
81.03470	2.1
83.01379	5.1
83.18793	0.7
85.02958	3.2
93.03465	5.5
95.05038	2.1
97.02947	3.4
98.20702	0.7
106.22594	0.7
106.89271	0.6
107.05070	1.0
108.83823	0.7
109.02952	19.5
110.03303	0.7
111.04514	2.1
117.03455	1.5
119.05029	42.8
121.02960	4.0
122.03727	1.2
123.04532	13.0
125.02448	100.0
126.02812	2.1
127.04044	1.2
133.02956	4.4
135.04553	2.5
136.92451	0.7
137.02449	21.1
139.04007	3.6
145.02950	1.4
146.03711	1.1
149.02438	4.7
150.03232	1.1
151.00249	0.9
151.04001	13.4
155.03510	2.1
159.04510	3.2
160.05318	1.2
161.02444	28.5
161.06079	4.1
162.03130	2.1
163.00395	3.3
163.04004	62.1
164.01157	4.1
164.04413	1.9
165.01973	5.3
167.03484	1.8
173.04550	5.9
173.05928	1.1
174.03233	0.8
175.03992	10.2
175.07622	1.2
177.01907	5.8
178.02675	0.9
179.03471	4.3
185.06108	1.0
187.03999	8.7
188.04790	3.5
189.01920	0.8
189.05583	1.0
191.05594	31.8
193.04909	0.7
199.07701	1.2
201.05537	1.9
201.92299	0.7
202.06328	1.0
203.07143	9.7
205.01421	3.1
205.05057	8.2
211.03966	1.0
213.05595	0.8
215.03464	2.2
217.05101	1.3
221.08150	1.7
227.03481	1.6
227.07170	2.4
229.05020	3.7
230.05777	0.9
231.02858	1.2
243.03008	3.8
243.06761	0.9
245.04602	6.0
245.08176	16.3
246.08493	1.3
253.05205	1.0
255.02991	9.1
255.05655	0.9
255.06744	0.9
256.03781	5.2
257.04568	2.0
269.04477	2.7
271.06061	1.2
273.03958	3.9
281.04462	3.5
283.02533	2.2
285.04071	2.9
287.05606	14.0
288.05984	1.0
289.07169	62.9
290.07590	3.3
297.04288	1.0
299.05554	6.6
337.09299	31.1
338.09625	1.4
339.08771	5.4
381.10019	1.7
407.07690	57.0
408.08038	5.5
425.08789	71.5
426.09189	5.2
451.10336	21.2
452.10605	1.9
457.13647	1.0
467.09454	0.8
559.12238	3.2
577.13507	77.9
578.13818	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	913.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	0.6
67.01889	0.3
69.15150	2.4
71.01398	1.8
72.99295	0.3
75.00867	0.5
83.01376	0.4
83.05016	0.3
85.02947	3.5
87.00871	0.8
89.02460	0.3
93.03448	1.0
95.01379	0.6
99.00875	1.0
106.54491	0.2
107.01398	1.0
109.02958	0.6
111.04502	0.7
113.02444	2.1
113.41035	0.2
115.00384	0.4
117.01900	0.3
119.05025	13.4
120.05333	0.5
120.93808	0.2
121.02955	0.4
125.02471	0.3
127.03990	0.4
129.01947	0.4
133.02956	4.3
137.51448	0.2
147.04471	0.4
149.02426	1.3
151.00362	3.1
155.03487	0.6
163.04008	22.6
164.04340	0.7
173.04570	1.3
173.05849	0.3
175.02582	0.5
175.04004	1.8
176.04355	0.2
183.24101	0.2
185.03241	0.2
185.06055	0.3
187.04024	0.4
187.07634	0.4
191.05605	11.6
192.05952	0.5
195.04576	0.3
197.06136	0.3
198.03171	0.3
199.04027	1.6
201.01944	0.6
208.03499	0.3
213.05675	0.3
217.05110	1.2
229.04977	0.4
239.03474	0.3
241.04980	0.7
243.02985	0.4
257.04559	0.4
267.02606	0.2
269.98795	0.2
284.03281	0.6
285.04037	100.0
286.04388	6.0
287.04608	0.4
297.04095	0.5
302.66223	0.2
327.05045	1.3
337.09293	17.6
338.09705	1.1
357.06046	1.1
381.05835	0.4
449.14966	0.3
450.14700	0.3
461.07245	60.3
462.01437	0.2
462.07596	5.0
463.07965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
67.57135	0.9
69.03441	1.3
70.52309	3.1
81.03447	2.3
83.01373	4.9
92.32113	0.8
93.03463	3.4
95.01385	1.5
95.05049	1.1
97.02919	1.1
107.05055	2.4
108.02184	2.0
109.02951	13.4
111.04534	2.7
119.04998	1.0
120.02177	0.9
121.02977	5.5
123.00888	3.4
124.01657	2.4
125.02449	98.4
126.02776	2.2
131.05026	2.0
133.02995	4.2
135.04546	1.4
137.01468	1.5
137.02449	23.9
139.04030	8.2
147.04489	1.7
149.02428	10.3
151.00371	0.9
151.04016	13.1
152.01172	4.4
159.04524	1.7
161.02486	2.3
163.00359	2.5
163.04007	4.1
164.01149	4.9
165.01952	12.4
167.03493	11.4
173.06160	1.0
174.03239	1.0
175.00420	1.3
175.03995	18.0
176.01115	1.7
176.04616	1.4
177.01929	100.0
178.02368	3.2
179.03481	6.5
187.04018	5.7
189.01913	3.1
189.05537	1.7
191.03468	4.6
193.05032	2.4
199.04063	6.9
201.01944	2.2
201.05533	1.5
203.03513	2.9
204.04227	2.0
205.01378	1.3
205.05060	1.2
211.04010	2.4
213.05460	1.3
215.03490	3.4
217.01419	2.9
217.05042	11.9
219.02998	8.3
219.06583	5.4
221.04568	3.5
227.03484	2.0
229.05080	3.4
231.02902	2.3
231.06654	1.1
241.04985	1.8
243.02975	37.6
244.03413	2.1
245.04491	1.3
253.05048	1.4
255.02945	15.5
256.03714	4.2
257.04526	3.6
258.01541	1.1
259.02560	1.7
259.06021	2.1
261.03992	21.0
261.07022	1.4
261.07550	0.9
269.04633	3.3
273.04010	3.6
281.04559	1.7
282.01840	1.7
283.02585	7.1
284.03033	1.0
285.04181	4.3
293.04465	1.7
295.02258	1.6
297.04022	4.2
299.05869	1.2
303.05084	22.9
304.05560	1.4
305.06699	33.7
306.07214	1.0
315.05075	3.9
331.08163	1.3
343.04459	1.8
357.06293	1.7
373.03552	1.2
379.04703	1.3
391.04541	2.8
397.05469	1.6
411.07401	1.8
421.05582	3.6
423.07214	32.1
424.07428	2.1
429.08179	7.7
439.01428	1.0
439.06485	6.6
441.08170	12.9
442.08188	1.3
447.11325	6.9
451.65146	1.1
481.07635	5.5
483.09332	10.1
484.09695	1.1
525.10144	1.3
541.07886	8.8
559.08801	14.5
560.09552	1.0
577.09772	4.4
591.11127	1.5
601.10150	2.3
607.10895	4.4
609.12518	11.2
619.10931	3.1
623.58008	0.9
709.11768	1.6
727.12946	18.2
728.13312	1.6
731.60071	0.9
745.14282	5.5
787.15125	2.9
791.82916	1.0
913.18683	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	913.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	0.7
67.01919	0.7
70.98792	1.5
80.38908	0.7
81.03462	2.7
83.01398	4.0
89.03981	0.7
93.03484	3.7
95.01379	1.5
95.05022	1.1
97.02959	2.1
99.40835	0.7
105.03457	1.0
107.05023	2.6
109.02956	12.6
111.04518	1.4
119.05084	1.2
121.02948	7.4
123.00886	4.7
123.04571	1.4
124.01697	2.2
125.02450	98.6
126.02785	1.7
131.05028	2.2
133.02954	3.3
135.00960	0.8
135.04546	2.1
137.02448	24.9
138.03252	1.6
139.04028	9.8
146.03720	0.8
147.04547	0.9
149.02425	9.3
149.06105	1.8
151.04007	13.5
155.03491	0.7
159.04539	1.9
161.02449	2.9
163.00380	3.3
163.03973	4.6
164.01164	5.2
165.01926	12.4
166.02646	1.6
167.03493	11.1
173.04674	0.8
173.06067	2.0
175.00409	1.2
175.04001	20.5
176.01160	2.4
177.01930	100.0
178.02264	4.9
179.03528	6.0
185.06166	0.9
187.04018	4.0
189.01964	2.8
189.05609	1.8
190.02647	1.0
191.03549	5.0
191.05078	0.9
193.04990	2.0
199.03990	7.0
201.01982	2.2
201.05556	1.4
203.03419	2.1
203.58733	0.7
204.04340	2.1
205.01428	2.1
205.05048	1.7
211.04016	1.6
213.05637	1.5
214.02699	1.5
215.03493	2.9
217.01437	3.3
217.05049	11.5
218.05521	0.8
219.03009	10.7
219.06494	5.3
221.04559	2.7
227.03555	2.7
229.04979	3.9
231.02969	3.3
231.06482	1.4
233.04572	1.0
235.06009	1.4
241.05153	1.7
242.02304	0.7
243.02980	37.8
244.03275	1.8
245.04620	1.0
247.02377	1.2
253.05087	1.2
255.03012	14.7
256.03662	2.2
257.04550	4.3
259.02408	1.0
259.06165	2.6
261.04050	21.0
261.07306	2.0
269.04446	4.1
270.04843	0.9
273.04059	2.7
281.04471	0.9
283.02524	6.0
284.02982	0.9
285.04092	5.3
295.02542	0.9
297.03995	5.0
298.04660	0.8
299.05533	1.1
301.03571	1.2
303.05072	23.7
304.05502	2.0
305.06735	31.6
306.07104	1.8
315.05167	2.7
331.08191	1.0
337.03604	1.0
343.04507	2.1
347.05405	1.1
357.06171	1.7
373.03360	1.7
374.04166	1.9
379.04556	0.8
391.04327	4.1
405.06039	0.9
411.06711	0.9
421.05435	4.2
423.07202	28.7
424.07510	3.0
429.08298	6.7
439.06567	6.4
441.08212	10.8
442.08377	1.1
451.06946	1.5
463.07062	1.2
465.08099	1.3
481.07733	6.6
483.09396	9.8
484.09647	1.2
533.11499	0.9
541.07880	11.3
542.08051	1.2
559.08746	15.6
560.08905	1.2
565.10541	0.8
577.09967	5.0
591.11530	1.1
601.09998	1.5
607.11298	4.5
609.12384	11.0
610.12830	1.8
619.10876	3.8
709.12427	0.8
727.13062	17.8
728.12872	2.6
745.14130	6.1
746.14807	1.0
787.15173	2.8
913.18066	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	911.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
64.07144	1.0
71.01387	17.4
71.10161	2.1
72.99316	4.2
76.82332	1.1
80.02660	1.1
81.03448	2.6
83.01406	1.9
83.05037	5.5
85.02963	3.4
87.00884	4.3
88.98813	8.8
89.02446	10.7
97.02962	2.6
101.02440	9.8
102.26449	1.1
113.02431	6.6
119.03493	2.7
125.02450	8.3
126.00391	1.1
137.02492	1.0
143.03552	2.0
161.04546	1.8
163.11333	6.1
165.12874	2.6
167.03484	1.4
179.05569	3.6
183.13855	7.3
193.12250	1.2
209.11824	100.0
210.12119	3.3
211.13391	83.3
212.13766	4.2
221.06689	1.7
227.12903	11.9
232.13255	1.1
235.08214	4.8
379.12283	11.8
397.13443	37.2
398.13824	2.2
415.14597	7.2
584.50177	1.7
589.25238	5.2
591.26404	9.3
607.25983	10.3
609.27887	7.8
783.37787	2.4
801.38947	4.4
832.35242	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02402	0.6
65.00335	0.5
67.01878	0.2
69.03409	0.2
69.57581	0.6
69.58013	0.5
71.01377	2.2
72.99294	0.4
73.02940	0.2
75.00864	0.6
83.01357	0.3
85.02950	2.4
87.00907	0.9
89.02454	0.5
93.03449	0.6
95.01382	0.7
99.00869	1.0
103.00357	0.3
105.03409	0.2
107.01393	1.1
109.02952	0.7
111.00928	0.2
113.02438	2.2
115.00368	0.2
117.01936	0.2
121.02924	0.6
122.03732	0.4
123.04607	0.2
125.02435	0.6
129.01953	0.3
133.02953	4.1
135.04541	1.5
136.01672	0.3
137.02448	0.3
149.02432	2.1
150.03230	2.3
151.00363	3.1
151.03816	0.7
165.05559	2.0
166.05864	0.3
169.01416	0.7
171.04501	0.3
173.04544	1.8
175.02542	0.4
175.03979	2.1
177.01938	0.3
179.03543	1.2
180.04138	0.3
181.05127	0.2
185.06056	0.5
189.05475	0.3
191.05565	2.4
195.06566	0.6
196.06912	0.3
197.06029	0.3
199.03998	1.7
201.01950	0.6
211.03978	0.4
213.05582	0.5
215.03455	0.3
217.05028	1.3
223.13423	0.6
229.05077	0.3
239.03438	0.2
241.05072	0.8
242.01839	0.2
243.03006	0.5
256.03607	0.2
257.04443	0.6
267.02838	0.5
269.04547	0.3
271.06039	0.2
284.03287	4.2
285.04041	100.0
286.04388	6.3
289.07199	0.5
297.04074	0.5
298.04660	0.2
300.02536	0.3
327.04950	1.0
353.08878	1.7
357.05869	0.8
369.06561	0.2
381.05603	0.3
413.48709	0.2
441.08081	0.5
441.17612	2.6
447.09268	5.8
448.09561	0.6
461.07242	58.8
462.01065	0.3
462.07663	5.4
477.10574	0.4
484.91440	0.2
521.20593	0.3
535.19702	0.3
536.20258	0.5
537.20758	0.3
567.08173	0.2
583.21893	0.4
584.22046	0.8
585.22272	0.6
699.26410	0.5
747.28583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02423	0.4
65.00330	0.4
68.99803	0.3
69.20575	0.9
69.20997	0.9
71.01372	2.1
72.99307	0.4
75.00872	0.7
83.01376	0.6
83.36346	0.2
83.72132	0.2
84.71379	0.2
85.02958	2.9
87.00870	0.7
89.02432	0.5
90.79752	0.2
93.03445	0.8
95.01373	0.6
98.20802	0.2
99.00880	1.0
101.02429	0.2
105.03427	0.2
107.01361	1.2
109.02949	0.6
111.04510	0.3
113.02444	2.0
115.00319	0.3
119.68512	0.2
121.02957	0.8
122.03740	0.2
125.02409	0.9
129.01877	0.3
133.02948	4.5
135.04541	1.5
136.04720	0.2
137.02396	0.4
147.04553	0.2
149.02451	2.1
150.03247	1.9
151.00369	2.9
151.03760	0.4
156.43474	0.2
163.03954	0.2
165.05556	2.2
166.05890	0.3
167.38968	0.2
169.01442	1.0
171.04506	0.2
173.04579	2.1
175.02560	0.4
175.03981	1.8
177.01883	0.4
179.03505	1.3
185.06110	0.4
187.03925	0.4
191.05597	2.1
195.06631	0.7
197.06047	0.2
198.03111	0.3
199.04025	1.8
201.01875	0.6
211.03871	0.2
213.05534	0.7
215.03439	0.3
217.05038	1.0
223.13342	0.9
239.03317	0.2
241.05038	0.8
243.02919	0.6
256.03760	0.4
257.04501	0.3
269.04721	0.2
271.02591	0.5
284.03241	4.3
285.04022	100.0
286.04352	5.5
289.07104	0.8
297.03979	0.5
299.01889	0.4
299.05441	0.3
300.02795	0.2
305.03891	0.2
315.05170	0.4
327.04990	0.7
353.08813	2.5
357.06149	0.9
369.05914	0.2
381.05927	0.3
387.14709	0.4
388.14865	0.3
441.08325	1.0
441.17584	2.3
447.09250	6.2
448.09592	0.8
461.07230	59.6
462.07593	4.7
477.10287	0.8
521.20508	0.5
536.20093	0.5
537.20563	0.3
583.22418	0.2
584.22205	0.8
585.22375	0.5
608.94629	0.2
626.24011	0.2
699.26495	0.6
746.29321	0.2
747.28552	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	905.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	0.3
71.51874	0.1
73.02943	1.1
75.14508	0.2
75.15797	0.1
85.89893	0.1
85.90485	0.1
89.02432	0.6
99.00880	0.3
99.92583	12.3
100.92609	0.4
107.04021	0.2
107.37744	0.1
111.23342	0.1
114.93396	0.8
116.92860	100.0
117.01939	1.9
117.92859	3.8
125.02425	0.2
149.04553	0.8
167.21474	0.2
209.11861	0.7
210.12189	0.5
211.12366	0.2
280.60208	0.1
293.21313	0.4
294.21588	0.5
295.21930	0.3
336.74673	0.1
398.14066	0.2
408.09506	0.1
452.85892	0.2
629.00336	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	907.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	0.5
65.00322	0.6
69.44123	1.1
71.01384	2.2
72.99304	0.4
73.02950	0.2
75.00877	0.9
78.34704	0.2
81.40520	0.1
83.01378	0.4
85.02950	3.1
87.00877	0.9
87.01317	0.1
89.02438	0.4
95.01381	0.8
99.00890	1.2
103.00360	0.2
105.03447	0.2
107.01376	1.2
109.02934	0.5
111.59379	0.1
113.02452	3.2
115.00338	0.4
117.01897	0.3
121.02942	0.7
129.01956	0.3
133.02942	4.7
135.04553	0.2
143.04991	0.2
149.02434	1.5
151.00354	3.0
171.04451	0.3
175.02464	0.7
175.03983	2.1
177.01938	0.2
185.06044	0.4
186.10387	0.2
197.06067	0.3
198.03326	0.2
199.03989	1.8
201.01932	0.7
213.05502	0.7
215.03500	0.4
217.05089	1.3
223.03934	0.2
229.05003	0.2
240.04288	0.2
241.05028	1.0
242.02452	0.2
243.02972	0.5
257.04611	0.3
267.03036	0.3
268.03763	0.4
269.04550	4.5
270.04846	0.4
271.02612	0.2
281.31140	0.1
284.03220	0.6
285.04028	100.0
286.04382	6.4
297.04050	0.4
299.02072	0.2
299.05496	0.2
327.05093	1.3
355.04614	0.4
357.05966	0.9
369.06055	0.3
381.05859	0.3
386.64597	0.2
430.36411	0.2
445.07846	0.9
461.07227	55.2
462.07596	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	905.178
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	0.8
69.24406	5.3
71.01355	1.0
81.03454	1.8
83.01371	1.3
85.02926	1.2
93.03429	1.6
95.01370	0.8
95.05022	1.0
97.02949	2.0
107.01366	2.9
108.02188	1.2
109.02958	7.0
111.00886	0.9
111.04482	0.8
121.02951	2.5
123.00835	0.8
123.04541	3.0
124.01674	1.0
125.02448	52.8
126.02760	0.7
137.02441	5.4
139.00327	0.7
139.04027	1.0
140.01143	0.7
145.02928	1.9
146.03773	0.6
147.04549	0.6
148.01656	0.9
149.02425	1.5
151.00378	7.5
151.04004	4.6
154.53084	0.5
159.04503	1.2
160.05098	0.6
160.16566	0.6
161.02480	0.7
161.06071	2.2
163.00403	1.4
163.03981	0.8
165.01860	2.8
166.99850	0.7
167.03394	0.6
168.00650	0.7
169.01419	81.0
170.01761	2.1
173.04596	1.6
174.03256	0.5
178.99850	2.9
179.03448	1.4
183.04474	0.9
185.06007	0.9
187.03996	1.6
188.04718	0.7
191.05614	12.0
193.01439	3.7
203.07146	4.5
205.01433	0.7
205.05005	2.2
216.04475	0.6
221.08182	0.7
223.13393	6.3
226.02725	1.0
227.03407	2.0
227.07140	1.3
229.05017	0.7
243.02998	5.8
245.04419	1.3
245.08195	7.0
246.08612	0.6
253.05037	1.2
254.02295	1.2
255.02998	15.5
256.03525	1.1
259.06110	1.0
263.17084	0.6
267.12418	2.1
271.02487	30.0
271.06030	3.3
272.02921	3.5
273.03934	0.6
283.02444	0.9
285.04089	5.6
286.04434	3.6
287.04581	1.3
289.07184	30.6
290.07574	2.8
299.01907	1.1
300.02734	76.2
301.03473	31.6
301.06293	0.5
302.03894	1.9
303.05121	1.4
331.04541	2.0
382.72339	0.6
441.08258	52.8
441.17487	19.9
442.08502	4.7
442.18054	1.6
461.07001	2.1
462.07483	2.1
463.08798	100.0
464.09088	7.7
505.10236	0.7
596.66388	0.6
760.66248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
65.75323	0.2
68.99570	1.9
69.03449	0.8
70.75061	0.2
70.75391	0.3
71.01382	12.7
71.05040	0.3
72.99312	0.8
73.02941	1.6
75.00871	0.2
80.02678	0.8
81.03461	1.9
83.01388	1.2
83.04520	0.2
83.05026	4.5
84.02168	0.7
85.02949	3.2
87.00879	3.3
89.02446	11.0
90.02807	0.3
93.03426	0.4
95.01382	1.2
95.05016	0.8
97.02967	2.0
99.00880	0.8
99.04575	0.2
101.02441	9.0
107.36990	0.2
109.02935	0.3
109.06590	0.4
111.00900	0.3
111.04503	0.3
111.08138	0.4
112.98563	2.0
113.02451	6.2
113.09714	0.2
115.03984	0.2
119.03505	2.7
121.02994	0.2
124.01619	0.2
125.02445	4.1
125.06062	0.5
131.03529	0.5
132.07652	0.2
133.05055	0.2
135.08148	0.6
139.04041	0.4
141.01939	0.3
143.03499	1.6
147.11809	0.4
149.04538	0.4
161.04562	2.7
161.25937	0.2
163.10065	0.3
163.11298	3.8
164.11536	0.3
165.12839	2.5
167.03496	0.3
171.10263	0.5
177.16545	0.2
179.05614	3.8
179.14397	0.5
181.12323	0.5
183.13918	0.4
185.04529	0.2
191.10767	0.8
195.13885	6.2
196.14583	0.8
197.11852	0.2
199.13460	0.3
205.12331	0.5
205.15958	0.4
209.11819	89.3
210.12149	3.6
211.13422	1.8
217.07169	0.4
219.05234	0.2
221.06599	1.5
221.16621	0.2
223.13400	5.0
224.13866	0.3
225.15019	0.3
227.12878	11.7
228.13615	0.9
231.21111	0.3
235.08229	3.9
239.12959	0.2
245.06700	0.3
251.12871	0.4
253.09311	0.7
256.13028	1.0
263.07745	0.2
265.21667	0.4
275.20148	5.1
276.20367	0.3
287.07693	1.6
291.19687	0.4
293.21219	100.0
294.21545	7.1
305.08743	1.7
306.09113	0.3
309.20697	0.6
317.21274	0.6
323.09848	1.0
379.08160	0.2
379.12411	3.6
380.12918	0.3
397.13495	33.0
398.13754	1.6
415.14557	13.2
416.14841	0.7
417.39792	0.2
425.94757	0.2
485.32950	0.5
503.34052	0.2
559.76453	0.2
589.25079	0.8
607.26270	2.2
654.27167	0.2
673.34094	1.1
691.35321	2.1
692.35986	0.2
901.47406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.0
69.27220	0.3
69.70445	0.5
69.70858	1.0
70.00385	0.2
71.01382	15.1
72.99303	0.9
73.02946	1.9
75.00858	0.3
80.02676	1.2
81.03460	2.5
83.01394	1.3
83.05026	6.1
84.02164	0.9
85.02953	2.8
87.00880	3.5
89.02448	11.2
95.01371	1.3
95.05028	0.8
95.92596	0.3
97.02941	2.1
98.20738	0.3
99.00879	0.9
99.04498	0.3
101.02447	10.1
102.60263	0.3
111.00825	0.3
111.04497	0.5
111.08180	0.5
113.02453	6.0
119.03504	3.5
123.83295	0.3
124.01661	0.3
125.02454	4.8
125.06113	0.6
131.03500	0.6
133.05061	0.4
135.08147	0.9
139.03999	0.5
141.01968	0.6
143.03528	2.4
149.04584	0.5
161.04602	2.4
162.04984	0.3
163.11295	4.6
163.12576	0.5
164.11450	0.3
165.12865	2.7
167.03453	0.4
179.05614	3.9
179.10785	0.3
179.14394	0.7
181.12341	1.0
182.26596	0.3
183.13914	0.4
191.10815	1.2
192.73250	0.3
195.13896	6.2
196.14476	0.5
199.13434	0.4
205.12343	0.7
205.15958	0.6
209.11823	100.0
210.12193	5.2
210.14143	0.2
211.13364	1.3
211.15199	0.3
217.07147	0.4
219.05208	0.3
221.06633	1.2
223.13382	4.8
227.12872	11.3
228.13312	0.7
231.21317	0.4
235.08229	4.3
245.06827	0.3
251.12828	0.6
253.09314	0.9
256.13187	1.1
263.07846	0.3
275.20114	4.6
287.07770	1.3
291.19919	0.3
293.21225	98.3
294.21576	7.1
305.08804	1.8
309.20731	0.6
317.21259	0.3
323.09897	1.1
379.12439	4.4
380.12732	0.4
397.13516	38.8
398.13977	2.4
415.14594	12.2
416.14987	1.0
485.32578	0.4
589.25183	0.8
607.26044	4.2
625.26642	0.3
673.34521	0.7
675.34296	0.3
691.35138	1.4
901.48047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.48
Annotation	Unknow
Peak:m/z	Relative Intensity
67.93061	1.1
69.03442	2.6
71.01382	20.9
71.05001	2.7
72.99335	1.9
73.02942	3.6
79.95739	2.0
80.96515	9.8
81.03429	1.8
83.01363	2.0
83.04986	1.7
84.30035	1.1
85.02944	6.8
87.00889	5.7
89.02444	15.2
94.98101	1.2
95.01421	1.4
97.02938	6.9
98.19888	2.5
99.00880	10.6
101.02443	14.6
109.06590	3.3
113.02454	8.0
119.03522	3.3
125.02444	7.8
125.09722	4.3
125.24974	1.2
127.11263	2.4
142.02708	1.6
143.03481	2.0
161.04590	1.9
163.11255	8.8
164.98647	2.2
167.03479	2.0
171.10265	22.7
173.69377	1.2
179.05630	3.5
181.12329	10.6
197.11790	2.9
199.09680	2.1
199.13333	7.2
201.11363	8.1
205.19319	1.3
207.08363	1.9
207.10271	28.8
209.11913	3.4
221.06764	2.3
225.00781	2.6
225.11311	42.8
235.08278	3.7
243.12361	7.8
277.21729	58.1
278.22015	3.6
293.21130	2.1
323.09866	1.3
379.12430	3.5
397.13449	24.3
398.13742	2.2
415.14505	5.7
482.04980	1.5
569.24469	1.4
605.24445	3.4
623.25385	3.3
675.35455	1.4
883.47015	14.4
884.46783	1.8
901.47845	100.0
902.48291	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98563	17.2
64.07427	15.7
71.01388	52.9
71.05935	30.8
71.63839	14.0
80.96525	39.5
87.00904	17.9
89.02418	18.1
94.34689	15.6
108.29595	14.1
113.02407	14.1
116.92858	59.6
140.99571	13.5
156.20335	14.4
157.92857	16.5
171.10292	44.2
197.11827	47.3
198.12073	19.3
207.10297	16.6
222.18697	14.3
225.11314	25.0
254.09616	14.1
256.84839	14.9
277.21732	67.9
278.21915	18.2
293.20923	17.4
309.20654	28.5
310.21133	26.0
311.21799	21.1
312.21542	15.2
397.13474	31.8
900.46710	100.0
901.46381	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	900.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98544	9.3
63.32378	3.6
69.03450	4.0
71.01401	22.9
71.52972	5.9
72.99312	3.9
73.02945	4.7
79.95747	6.2
80.96517	15.1
87.00903	8.0
89.02450	16.2
101.02456	13.8
108.29932	3.9
113.02464	9.1
116.92834	7.0
125.02453	11.4
148.29929	3.9
169.41547	4.6
171.10275	20.0
197.11765	43.9
198.12245	10.0
201.11304	7.8
225.00613	6.9
225.11324	14.6
253.09059	4.9
277.21729	30.1
278.22073	11.5
292.20038	4.8
309.20633	16.2
310.21082	11.4
311.21399	8.2
397.13525	18.4
416.51700	4.3
645.10089	4.8
875.82800	5.5
900.46808	100.0
901.46301	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	3.1
71.01005	1.3
71.01378	14.3
71.05016	2.0
71.52094	1.5
72.99306	1.6
73.02928	1.8
73.66465	0.8
75.00863	0.9
78.56097	0.8
80.11773	0.8
81.03446	1.6
83.01388	1.9
83.05006	1.4
85.02959	3.8
87.00871	3.2
89.02437	7.9
95.01389	1.3
97.02947	2.8
99.00892	1.2
101.02437	8.4
111.04506	0.9
111.08137	0.8
113.02441	4.2
115.00398	1.4
119.03493	2.3
125.02485	4.2
125.09702	2.1
151.11261	2.0
153.12845	1.1
161.09718	1.7
162.32889	0.8
165.12862	1.1
168.36537	0.9
169.12288	1.1
169.66638	1.0
171.10225	2.0
179.05539	1.6
179.10739	3.9
197.11826	49.7
198.12190	3.2
209.11803	3.4
211.13373	2.4
221.06598	2.3
235.08235	1.6
241.10797	2.3
241.14635	1.1
253.09256	3.2
277.21716	20.8
278.22064	1.9
291.19705	5.3
292.19928	3.3
293.20895	1.6
305.06708	0.8
309.20645	10.9
310.20959	7.5
311.21375	3.0
330.21164	0.9
397.13498	3.3
415.14819	1.2
429.12622	1.1
639.24396	1.0
704.95667	0.8
899.46442	100.0
900.46686	18.0
902.01678	1.0
904.31323	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98525	22.7
71.01397	15.3
71.54162	13.5
89.02438	10.7
98.18218	9.2
125.02428	17.9
209.11818	100.0
210.12158	43.0
211.12297	24.4
227.12865	22.8
397.13272	19.9
435.06311	11.3
507.78137	9.7
542.97571	8.4
898.38806	31.5
899.38287	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	898.48
Annotation	Unknow
Peak:m/z	Relative Intensity
62.79572	23.5
71.01381	100.0
74.74973	21.2
75.00836	31.7
80.96489	22.9
87.00855	23.7
89.02444	37.6
101.02472	30.0
117.80686	20.5
171.10205	37.9
199.09914	27.3
207.10181	32.4
209.11754	37.6
231.12987	27.0
250.04356	28.2
255.23203	34.8
256.23572	27.4
293.21286	23.9
309.20502	34.1
310.65103	24.7
321.01346	25.5
397.13196	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
67.92642	0.3
69.03448	0.3
71.01385	6.0
71.53073	0.3
72.99309	0.7
73.02938	0.9
75.00861	0.4
80.02676	1.0
81.03461	1.9
83.01379	0.8
83.05024	4.6
84.02151	0.8
85.02949	1.3
87.00887	2.1
88.98785	0.4
89.02445	6.3
95.01357	0.5
95.05009	0.7
97.02942	1.0
97.06570	0.5
101.02438	5.2
107.52757	0.3
109.06627	0.4
113.02438	2.4
116.92879	0.6
119.03503	1.5
125.02448	2.8
125.06091	0.6
131.03482	0.3
135.08148	0.8
137.02446	0.4
143.03471	1.1
149.04559	0.3
161.04547	1.4
163.11276	3.3
165.12778	1.8
167.03450	0.4
173.04544	0.3
177.01819	0.5
179.05615	1.8
181.12473	0.6
191.10760	1.1
209.11818	100.0
210.12158	4.9
211.13432	0.6
221.06654	0.8
227.12885	15.4
228.13167	0.7
235.08133	2.1
253.09299	0.4
263.07645	0.3
287.07632	1.1
305.08704	1.0
323.09787	0.8
337.58212	0.3
341.10724	0.3
379.12451	5.1
384.18973	0.3
397.13495	20.5
398.13797	1.4
415.14569	4.4
589.25061	2.7
607.26093	4.9
608.26660	0.5
799.37744	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
64.15959	0.5
69.03466	1.0
71.01377	4.3
83.05005	0.7
85.02973	1.1
87.00890	0.9
89.02453	2.2
95.01345	0.8
97.02945	6.0
97.06574	0.7
101.02449	3.0
109.06567	0.7
111.08146	1.8
112.98824	0.8
113.02431	1.7
119.03471	0.9
119.08631	0.7
125.02454	0.9
125.09752	1.0
137.09706	2.2
153.12816	0.8
161.04556	1.6
163.11290	2.5
164.44029	0.5
165.09235	0.7
165.12848	5.8
171.10246	5.7
179.05577	0.7
181.12314	1.5
185.11780	0.7
186.13528	0.6
190.39230	0.6
193.12320	1.5
193.15994	1.0
197.11823	9.5
207.10274	1.1
209.11870	4.2
211.13411	4.8
221.11858	0.7
223.13454	0.6
227.12901	3.1
229.35536	0.8
229.37669	0.7
235.08113	2.9
247.20645	4.2
253.09294	18.2
254.09531	0.9
263.20084	0.9
273.18536	1.8
277.21811	1.6
291.19659	45.8
292.19977	2.5
308.63599	0.5
309.20709	100.0
310.21011	6.4
441.98276	0.5
485.29611	0.6
527.28534	1.6
545.29382	5.4
601.40680	2.9
897.43555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.522
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36340	0.7
69.03497	0.7
71.01382	3.9
71.52873	1.1
85.02949	1.2
87.00899	0.9
89.02467	3.5
91.59180	0.8
97.02955	2.9
101.02409	3.9
101.60567	0.8
109.06570	1.2
111.08173	8.3
123.24952	0.8
141.01747	0.8
145.05086	0.9
153.12804	1.0
157.90324	0.8
161.04535	2.1
162.43488	0.7
163.11319	0.9
165.12851	2.4
165.30763	0.7
169.12358	4.4
171.10263	1.7
181.12155	1.0
183.13968	1.0
193.12317	1.0
193.16072	0.8
197.11830	45.4
198.12135	1.7
199.13385	2.3
209.11818	3.3
211.13385	7.3
227.12906	2.3
235.08244	2.7
247.20616	1.7
253.09282	23.2
263.20145	2.0
265.18195	0.8
273.18542	1.5
277.21780	1.5
291.19669	28.7
292.20035	2.9
309.20712	100.0
310.21075	6.4
364.22192	0.8
383.94055	0.7
433.21008	1.1
527.28674	1.3
545.29663	6.9
601.40936	3.6
897.47314	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	897.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
64.43572	0.4
69.03467	2.8
71.01381	14.4
71.05023	0.7
71.52219	0.8
72.99302	1.7
73.02941	1.8
81.03460	0.6
83.01392	1.7
83.05029	0.9
85.02939	3.6
86.44122	0.5
87.00861	3.4
89.01928	1.1
89.02444	11.6
95.01393	1.6
95.05015	0.7
97.02951	1.9
99.00887	0.8
101.02451	9.8
101.71262	0.5
107.05015	0.6
109.88345	0.5
111.08203	0.7
113.02452	6.6
119.03513	3.1
125.02465	4.6
131.03506	0.6
139.04002	0.5
141.52927	0.5
143.03496	1.6
161.04556	2.9
167.10733	2.7
171.10240	0.6
177.12892	0.7
179.05579	3.0
179.10713	0.8
179.14398	2.5
192.44427	0.5
195.13885	15.5
196.14349	1.1
197.87808	0.5
205.12299	6.4
209.11795	1.9
211.13379	1.2
221.06650	1.5
223.13387	66.6
224.13712	3.1
225.14885	1.2
235.08275	3.8
253.09277	1.2
256.13123	0.9
263.07581	0.7
275.20129	5.2
287.07718	1.0
289.17975	0.7
291.19592	1.6
293.21219	100.0
294.21576	6.7
305.09036	0.9
309.20731	1.0
323.09851	1.1
378.26022	0.5
379.12387	2.3
397.13498	33.1
398.13925	1.6
415.14499	12.5
416.14993	0.5
499.34198	1.0
533.46478	0.6
576.49664	0.6
603.26520	4.2
621.27722	9.3
622.27808	1.4
673.34296	1.8
691.35162	3.4
897.48645	3.0
898.49365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02384	0.4
65.00302	0.8
69.32095	3.1
73.53821	0.3
80.89159	0.4
83.01379	1.0
89.56068	0.3
93.03430	1.0
101.28314	0.3
107.01378	2.5
108.02177	1.1
109.02938	1.0
119.05029	2.5
121.02943	1.2
125.02412	1.0
126.54552	0.4
135.00847	0.4
145.02904	0.4
148.01669	1.0
149.02432	0.5
151.00366	9.4
163.00348	1.1
163.03983	0.6
164.01149	0.5
169.01457	0.6
175.03978	0.5
178.99861	2.8
193.01396	0.7
211.03925	0.7
226.02667	0.8
227.03447	1.2
243.03012	5.0
245.04550	0.7
254.02177	1.3
255.02983	14.3
256.03369	1.0
257.04703	0.4
271.02478	29.1
271.05890	1.7
272.03049	2.5
273.03964	0.4
283.02420	0.5
285.03973	2.5
286.04373	1.1
299.01785	0.5
300.02737	70.3
301.03452	26.9
302.03693	1.7
313.07214	2.9
433.11240	4.9
434.11536	0.5
461.07120	1.2
462.07742	0.6
463.08798	100.0
464.09137	9.4
465.09329	0.4
615.08759	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77560	2.5
69.77950	3.8
74.91231	1.5
77.18999	1.1
83.01387	5.0
86.15037	1.4
93.03458	4.6
95.01400	1.7
95.05000	2.2
97.02949	2.1
105.03493	1.7
107.05031	3.1
108.02178	2.4
109.02953	14.5
119.05075	1.5
121.02928	6.6
123.00892	2.2
123.04513	6.6
124.01743	1.2
125.02448	92.9
126.02737	2.9
131.05037	2.6
132.94940	1.2
133.02965	3.2
135.04483	2.7
136.76254	1.2
137.02446	21.9
138.03188	1.3
139.03957	3.8
147.04550	1.5
149.02446	11.9
151.04019	14.3
152.01123	1.7
153.01976	1.4
159.04422	1.9
161.02412	3.9
161.06013	2.0
163.00343	2.9
163.03984	5.6
164.01132	5.1
165.01932	7.6
167.03474	5.1
171.04482	2.0
173.06076	1.4
175.03998	18.9
176.01050	2.1
176.80588	1.2
177.01927	100.0
178.02370	3.7
179.03487	3.2
187.04013	7.9
188.04590	2.1
189.01941	4.4
191.03535	3.2
193.05081	1.9
199.03983	7.7
203.03423	3.8
203.07101	3.5
205.05042	3.8
213.05449	1.6
215.03394	1.8
217.01396	1.7
217.05020	12.4
219.02995	10.0
219.06590	2.4
227.03511	2.2
229.05063	3.1
231.03065	3.4
243.02975	36.0
244.03308	1.9
245.08206	7.1
255.03055	13.1
255.05670	1.6
255.06644	1.6
256.03778	3.8
257.04440	1.9
261.04034	18.6
269.04517	3.1
273.04065	4.2
283.02457	4.4
285.04047	4.6
287.05499	1.4
289.07187	23.9
295.02435	1.9
297.04016	2.1
303.05103	21.8
304.05258	1.9
305.06641	5.6
315.05054	4.0
339.08633	3.2
341.06842	1.9
347.05356	1.7
375.48779	1.6
379.03979	1.7
383.07730	2.4
391.04584	2.0
407.07779	22.2
408.07925	2.5
413.08878	1.4
417.10699	3.0
418.10941	1.5
421.05557	5.1
423.07147	6.0
425.08783	13.0
429.08276	5.0
439.06842	5.3
441.07849	2.2
467.09875	7.3
481.07614	5.2
525.07983	7.3
543.09222	12.3
544.08929	2.0
559.08630	2.0
561.10321	4.3
577.09393	2.3
593.13025	11.1
603.11328	3.8
607.11157	3.2
609.12292	3.5
711.13617	17.7
712.13922	2.6
729.14624	6.8
730.14606	2.4
818.28259	1.8
828.62048	1.6
897.19159	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	895.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	9.0
83.01399	4.1
89.02441	6.6
94.68601	3.1
97.06554	4.5
101.02442	5.6
111.08163	10.4
125.09714	4.4
131.49147	2.8
134.47563	2.8
144.14136	2.9
150.47916	2.5
151.11252	4.0
161.04527	3.3
163.11206	5.1
169.12321	5.2
173.00876	5.2
181.12296	4.1
183.13844	4.0
191.14323	3.6
197.11835	64.0
199.13237	3.5
209.11855	20.8
211.13339	13.7
215.12776	3.9
218.32768	2.9
221.02957	2.9
227.12811	5.2
233.92328	2.9
235.08134	5.0
244.52742	2.9
245.19096	12.7
253.09283	34.7
263.20145	10.5
265.18082	3.4
289.18106	65.9
290.18402	6.3
291.19684	25.0
307.19131	80.8
308.19525	4.3
309.20706	100.0
310.21014	7.2
355.25851	3.6
388.55563	3.3
429.53928	3.4
445.20673	4.8
543.27991	9.0
564.30682	2.9
618.40814	3.5
658.78845	3.1
721.43408	3.2
737.41052	6.0
835.48785	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	895.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	14.4
71.05683	1.5
71.06014	2.0
72.99309	1.5
73.02930	2.2
73.81177	1.1
81.03445	1.8
83.01407	1.8
83.05035	4.6
85.02960	4.1
87.00864	3.1
88.98796	9.1
89.02450	15.8
97.02940	2.5
99.00928	1.2
101.02441	12.6
113.02448	6.0
118.04650	1.1
119.03490	2.7
125.02438	4.8
143.03505	2.3
161.04558	3.4
163.11224	3.6
165.12857	2.7
179.05614	3.3
209.11821	100.0
210.12199	5.0
221.06638	1.7
227.12862	14.2
235.08206	4.5
255.23282	56.8
256.23654	3.8
287.07455	2.2
295.47009	1.2
305.08725	2.0
379.12326	12.0
397.13492	44.1
398.13852	1.8
401.75888	1.2
415.14667	9.4
468.86026	1.6
589.24921	2.0
605.98785	1.3
607.25922	2.1
635.36218	2.7
653.37531	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	3.2
71.01385	100.0
72.99303	3.3
73.02934	4.4
81.03441	2.6
83.01380	2.7
83.05003	1.9
85.02958	6.2
87.00880	5.5
88.98795	3.8
89.02444	19.5
95.01366	2.2
97.02952	8.4
99.00872	3.8
101.02448	14.9
109.02938	1.2
109.06584	15.5
111.04528	1.7
113.02453	7.9
116.92854	2.3
119.03484	3.7
121.06579	1.2
125.02418	6.3
125.09704	1.7
135.08159	2.8
141.01962	1.3
142.02655	2.0
143.03470	3.1
157.85730	1.1
161.04527	3.6
161.09741	1.3
163.11307	7.4
165.12894	1.6
171.10320	7.0
179.05569	4.0
179.10730	1.2
181.12334	3.9
183.13882	8.3
185.11911	1.8
193.12338	1.7
199.13400	1.5
201.11276	4.9
202.20242	1.3
207.08359	2.3
207.10263	41.5
208.10555	2.8
209.11847	13.6
211.13397	83.2
212.13686	4.5
221.06624	1.8
225.11328	28.9
226.11469	1.2
227.12857	8.8
235.08199	5.0
243.12326	2.4
245.76553	1.2
253.09332	1.4
379.12366	3.8
383.22250	2.0
391.24786	2.5
397.13522	35.9
401.23419	6.2
415.14603	9.8
419.24304	4.8
523.93939	1.4
596.73206	1.2
605.24084	3.5
609.27069	2.0
623.25476	4.7
625.26654	2.8
644.24792	1.4
771.38257	2.1
799.37756	13.4
800.37396	2.2
817.38660	29.1
818.39398	9.6
819.38483	2.2
835.39429	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	895.455
Annotation	Unknow
Peak:m/z	Relative Intensity
66.22342	0.5
68.95889	0.4
69.03455	1.0
70.42242	1.4
71.01383	20.2
72.99261	0.9
73.02937	1.3
75.00886	0.4
81.03450	0.9
83.01396	1.5
83.05007	0.4
85.02951	2.7
87.00880	2.4
88.98815	1.1
89.02448	8.2
93.03449	0.7
95.01381	0.7
97.02935	2.2
99.00884	0.5
101.02441	7.3
109.06582	2.1
113.02462	4.8
116.92850	1.7
119.03472	2.5
119.94772	0.5
125.02464	4.4
135.08110	0.4
141.01755	0.4
143.03514	1.6
155.10818	0.5
161.04541	2.0
163.11284	1.5
167.14444	0.7
171.10280	1.6
179.05603	1.8
183.13898	7.6
184.14240	0.5
193.12321	2.1
199.09639	0.7
201.11339	0.7
207.10284	4.6
209.11806	2.9
211.13385	100.0
212.13725	4.7
217.07199	0.8
220.14722	1.4
221.06651	1.3
221.15468	4.8
225.11322	3.4
227.12895	1.4
235.08226	2.5
236.10487	4.6
287.07736	1.2
293.17737	2.8
305.08630	0.9
323.09705	0.8
379.12454	5.0
397.13474	17.2
398.13864	1.0
401.23245	0.9
415.14639	4.5
419.23990	0.6
507.95453	0.6
591.26514	12.7
592.26740	2.1
609.27612	11.7
610.28314	1.6
785.39484	3.9
786.41138	0.6
799.38123	1.8
803.40649	3.6
804.41071	0.6
817.38654	2.7
818.39270	1.2
895.42596	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02410	0.9
65.00327	2.5
67.01891	3.8
69.03456	1.4
69.40762	4.8
71.01383	7.3
72.61427	0.6
72.99316	1.6
73.02958	0.6
75.00872	2.7
78.35758	0.6
81.03436	1.0
83.01397	2.1
83.05029	0.7
85.02950	18.7
86.03299	1.6
87.00872	5.0
89.02457	1.9
93.03458	26.6
94.03798	0.7
95.01388	4.8
99.00886	5.0
103.00371	2.0
107.01361	5.1
108.01708	1.0
109.02950	2.4
111.00894	1.9
111.04511	5.7
113.02449	26.0
114.02778	4.0
115.00376	1.2
115.02847	1.0
117.01933	1.7
117.03445	1.8
119.05022	9.1
120.05358	1.5
125.02435	1.0
127.03987	1.5
135.04532	0.7
137.02464	7.6
146.03691	1.5
149.02498	1.0
149.06061	1.7
151.00363	14.8
152.00685	2.5
153.00847	0.9
155.03513	6.5
158.03717	2.3
159.04509	2.6
159.08098	0.8
172.05252	8.1
173.04547	79.3
173.05956	5.1
174.04874	1.8
175.02470	15.7
176.02785	2.2
177.01782	0.8
177.03058	1.1
183.04497	1.3
187.04147	4.2
187.07637	100.0
188.08047	3.6
191.05603	40.4
192.05876	1.0
197.06107	0.8
198.06911	0.9
200.04755	1.2
201.05620	6.0
202.06348	16.5
203.06754	1.0
203.10788	1.8
204.04254	0.9
213.09190	10.3
215.07112	6.2
216.07874	1.3
227.03464	1.6
227.40535	0.7
229.08673	2.4
231.04286	1.4
231.06604	30.8
231.10246	45.0
232.06932	1.3
232.10603	2.0
257.08170	14.6
269.04532	31.5
270.04855	16.3
271.06018	21.8
272.06494	6.6
273.06656	1.9
275.09235	91.6
276.09583	4.5
284.03214	1.0
285.04028	1.8
299.05609	0.9
405.11795	4.6
445.07593	5.7
446.08136	4.3
447.09052	14.8
448.09451	8.6
449.09451	4.3
449.14621	47.1
450.14917	4.0
515.30951	0.7
775.70416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	1.3
70.14804	0.5
70.45820	1.4
71.01012	1.0
71.01384	16.5
72.99289	1.2
73.02934	2.9
77.65111	0.4
78.95899	2.4
80.02696	1.0
81.03468	1.4
83.01396	2.3
83.05025	4.9
84.02191	0.7
85.02954	4.5
87.00862	3.8
88.01172	0.5
89.02446	13.1
95.01402	1.3
95.05019	0.9
97.02962	2.7
99.00894	1.2
101.02441	10.6
113.02454	6.5
119.03496	3.6
125.02437	5.5
131.03473	0.7
133.05011	0.6
135.08194	0.6
139.04079	0.8
143.03465	2.6
161.04564	3.4
163.11258	3.9
165.12863	2.3
179.05586	3.3
181.12315	1.0
191.10732	1.4
209.11819	100.0
210.12198	3.9
217.07248	0.5
227.12889	12.1
228.13060	0.8
235.08238	4.8
253.09363	0.5
255.23201	0.6
259.08295	0.7
263.07785	0.7
283.26416	59.1
284.26825	3.6
287.07706	1.5
297.27646	0.5
305.08636	1.4
323.09869	1.2
363.17236	0.5
379.12518	8.3
379.16983	0.9
397.13498	40.5
398.13684	2.5
415.14597	8.4
416.14981	0.6
467.22040	0.5
589.24591	1.4
607.26245	1.5
663.39508	1.4
681.40704	1.5
839.88995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	31.2
89.02411	26.3
101.02429	18.4
103.38877	13.9
116.92838	30.8
125.02435	25.2
155.84146	14.9
170.42940	14.8
171.10277	100.0
172.10593	49.7
175.29364	14.1
253.22020	17.2
277.21704	20.8
278.22101	33.4
279.22202	18.5
315.31885	18.2
355.97290	18.5
395.75595	16.1
397.13354	19.7
398.13843	20.1
399.13889	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27573	2.4
71.52621	2.8
75.00885	6.5
78.83518	2.2
79.71799	2.4
87.00836	3.4
88.98842	12.1
94.81796	2.6
99.92590	12.8
103.00396	11.2
116.92863	100.0
117.92876	7.3
118.92657	4.0
121.02976	2.9
125.02435	19.2
132.89972	3.1
134.89458	13.5
167.03444	7.0
170.48323	2.8
171.10287	5.4
177.01921	7.4
197.11931	5.1
209.11800	3.4
211.13383	4.0
230.66324	2.7
235.08177	7.6
240.89067	2.8
253.09277	16.3
255.08165	3.1
291.19635	6.9
305.06821	3.5
309.20676	37.1
327.21811	39.6
420.95624	2.6
481.32404	2.8
545.29706	11.5
563.30573	6.3
748.17468	3.7
800.94812	2.9
855.51178	5.8
884.73212	2.8
891.48853	40.0
892.49115	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	891.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02392	1.1
65.00333	0.5
67.01887	0.2
68.99816	0.2
71.01382	4.6
72.99303	0.8
73.02943	0.3
75.00868	2.6
83.01391	0.5
83.87888	0.2
84.02171	0.2
85.02949	11.3
87.00882	1.8
89.02452	0.7
93.03476	0.4
95.01385	3.9
95.01939	0.3
98.20703	0.5
98.44917	0.2
99.00883	3.9
99.01529	0.2
103.00372	1.1
107.01395	1.9
111.00867	0.2
113.02450	18.3
114.02794	0.3
115.00401	0.8
117.01951	1.2
117.03455	3.6
121.02954	0.2
129.01923	0.7
135.04547	0.3
139.00340	0.2
149.02443	1.5
151.00385	1.4
157.01361	0.3
157.06544	0.2
159.04492	1.4
161.02425	0.8
169.06586	0.4
173.74370	0.2
175.02469	8.2
181.06512	0.5
181.12125	0.2
183.04515	0.9
196.05231	0.2
197.06026	0.7
199.03963	0.2
201.05533	0.5
203.03545	0.2
224.04759	0.3
225.05533	1.4
226.05891	0.2
227.03423	0.5
232.18823	0.2
249.54547	0.2
268.03778	0.3
269.04535	100.0
270.04883	5.9
311.05615	0.3
412.90689	0.2
445.07745	17.1
446.08069	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	889.48
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	2.0
69.03449	1.1
71.01380	14.9
71.08291	1.1
72.86650	0.5
72.99324	0.7
73.02949	2.7
81.03458	0.6
83.01390	1.8
83.05028	0.7
85.02953	4.3
87.00883	3.9
89.02451	12.2
95.01402	1.3
97.02957	2.1
99.00919	0.8
99.04540	0.7
99.92588	1.5
101.02442	12.1
113.01740	0.6
113.02467	7.3
114.14540	0.5
116.92870	9.6
119.03483	2.9
121.02947	0.8
125.02446	7.2
125.09724	1.2
127.11272	1.7
131.03566	0.6
139.03970	0.6
143.03496	2.2
145.51375	0.5
161.04572	2.9
171.10266	100.0
172.10561	2.7
179.05609	4.6
185.01573	0.6
199.06146	1.1
209.11826	2.1
210.12247	1.1
217.07195	1.5
221.06665	2.0
235.08253	5.4
253.09360	1.1
259.08249	1.3
263.07782	0.7
277.21713	56.4
278.22015	3.8
279.23178	0.9
280.23581	0.9
284.23114	0.6
287.07733	2.2
297.23444	0.5
305.08810	2.2
323.09937	1.5
353.99609	0.5
361.11078	0.6
379.12457	17.2
380.12936	1.5
397.13507	39.6
398.13870	2.3
415.14551	7.4
416.14740	1.0
551.23242	4.3
552.25830	0.5
569.24524	4.8
657.35431	2.7
675.36017	2.2
676.35834	0.8
708.96881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	1.9
63.61268	0.5
69.03458	0.8
69.35025	4.5
71.01379	17.6
72.99290	1.1
73.02955	3.0
83.01387	1.5
84.52337	0.5
85.02960	4.8
87.00877	4.4
89.02445	13.9
92.78488	0.5
93.23982	0.5
95.01366	1.6
96.07020	0.6
97.02969	3.1
99.00873	1.1
101.02444	14.5
111.00917	0.5
113.02445	7.7
116.92863	1.8
119.03491	4.6
125.02444	7.8
125.09735	1.2
127.11282	2.0
129.34274	0.6
131.03471	0.7
143.03500	3.1
153.09155	0.7
161.04556	4.1
171.10269	100.0
172.10579	2.6
179.05612	3.1
217.07159	0.9
221.06702	1.8
235.08229	5.9
253.09404	0.9
259.08112	0.9
263.07626	1.0
277.21722	67.8
278.22125	4.2
287.07733	1.8
291.23325	0.8
305.08685	2.6
323.09836	1.4
379.12448	18.4
380.13104	0.6
397.13498	45.1
398.13745	3.0
415.14630	8.6
427.72131	0.6
439.49429	0.7
551.23431	3.5
567.73669	0.7
569.24371	3.5
657.34833	2.5
675.35992	4.0
676.37421	0.6
796.82312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99818	0.8
70.27699	1.6
70.28050	0.9
71.01378	8.4
72.99300	1.8
73.02930	0.9
75.00883	3.6
81.03468	3.9
83.01390	1.6
84.02148	0.5
85.02470	0.9
85.02955	18.6
87.00886	3.1
87.02000	0.5
89.02439	1.3
89.21938	0.7
93.03468	0.8
95.01386	5.3
95.05049	3.1
95.05540	0.7
97.02945	0.8
99.00881	6.6
99.04535	3.6
100.01170	0.6
103.00359	3.3
107.01367	0.8
111.04457	0.6
113.02454	32.9
114.02773	0.7
115.00349	1.4
117.01951	2.9
123.04548	3.8
125.02446	13.6
129.01949	1.5
131.20752	0.5
134.03740	0.6
137.02417	2.2
139.03981	1.2
157.01360	0.6
167.03493	35.3
168.03824	1.2
175.02473	13.3
179.03557	1.0
190.64749	0.6
197.04556	7.2
207.10251	5.8
227.03439	0.8
231.10196	0.7
249.11589	0.5
255.02954	0.6
256.03790	3.8
284.03259	76.7
285.03693	4.8
287.07678	2.2
293.10321	11.7
299.05600	100.0
300.05933	6.9
323.11484	2.8
369.15723	0.8
395.13568	0.7
413.09106	1.1
413.14511	17.0
414.14734	1.3
475.08829	89.3
476.09119	8.6
494.20102	0.6
496.77585	0.6
608.07605	0.6
681.49969	0.7
729.60144	0.6
857.24487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	8.5
70.83531	3.2
70.83862	2.7
71.01376	6.6
72.99306	2.1
73.43835	1.9
83.05018	3.8
87.00866	3.2
89.02446	8.3
95.01360	2.0
96.96031	4.9
99.92595	10.5
101.02441	4.8
114.93422	7.9
116.92857	100.0
117.92870	6.3
119.03486	2.6
125.02431	5.6
132.03017	3.6
152.88235	2.1
161.04541	2.2
179.05563	4.6
183.13844	2.1
207.40891	1.9
209.11812	62.5
210.12175	3.7
211.13368	53.9
227.12897	15.4
285.50226	2.0
305.09039	3.2
379.12460	10.9
397.13553	29.6
415.14490	7.9
589.25043	8.8
590.25427	3.6
591.26337	16.9
607.26056	8.1
609.27148	12.9
783.37732	4.4
801.39307	14.0
802.40656	3.4
819.40759	5.8
887.40436	53.0
888.40369	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	885.4835
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98832	50.4
68.08097	0.5
68.99815	0.6
69.03456	1.4
70.06451	2.2
71.01384	23.2
72.99292	2.0
73.02950	3.4
75.00869	0.8
75.07539	0.5
78.98562	0.6
79.95742	2.8
80.96521	5.8
81.03449	1.0
83.01394	2.0
83.05014	1.5
83.81318	0.5
83.81984	0.5
85.02954	6.4
87.00877	4.6
89.02444	17.4
94.98099	1.2
95.01392	1.8
97.02971	2.7
99.00871	1.2
101.02441	15.0
111.04552	0.9
111.08170	0.7
113.02450	7.3
119.03496	3.3
123.27052	0.5
125.02435	5.0
126.23141	0.5
129.01947	0.6
131.03519	1.0
133.05093	0.5
143.03505	2.2
144.23189	0.4
145.45387	0.5
147.04665	0.4
148.99036	0.5
152.98662	0.7
161.04590	2.9
163.11287	0.9
165.12834	6.4
179.05577	2.2
183.13898	63.4
184.14246	1.9
199.13329	1.1
207.10326	0.6
209.11816	19.3
210.12041	0.9
221.06639	2.7
225.00764	1.6
225.11377	0.6
227.12900	10.4
235.08195	3.7
253.09207	0.8
277.21719	38.1
278.22055	3.1
301.15042	0.6
305.08774	0.7
370.62625	0.7
379.12469	2.4
397.13464	17.5
398.13821	1.0
415.14618	4.2
580.64630	0.6
607.26251	2.0
625.27069	2.0
758.06433	0.6
867.47461	0.7
885.48438	100.0
886.48669	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	885.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98847	0.4
68.99822	0.3
69.03448	0.7
69.15202	0.1
71.01382	15.9
71.05009	0.2
72.01721	0.2
72.99309	1.1
73.02945	2.6
74.93446	0.1
75.00870	0.4
80.02683	1.0
81.03453	1.7
81.38783	0.1
83.01391	1.8
83.05027	5.3
84.02157	0.8
85.02950	3.6
87.00874	4.5
89.02443	13.0
90.02785	0.2
91.04036	0.2
93.03456	0.3
95.01414	1.2
95.05026	0.7
97.02947	2.4
97.06590	0.1
99.00885	1.1
99.04510	0.3
101.02441	12.1
109.02931	0.4
109.06580	0.3
111.00896	0.2
111.04498	0.3
113.02449	7.0
119.03501	3.9
121.02982	0.2
124.01671	0.2
125.02446	5.8
125.06118	0.7
127.03966	0.3
131.03490	0.6
133.05048	0.4
135.08182	0.6
139.04004	0.4
141.01930	0.3
143.03496	2.3
145.05096	0.3
147.11772	0.2
149.04559	0.3
151.03992	0.2
156.35983	0.1
161.04559	3.2
163.11278	3.3
165.12848	2.2
167.03453	0.5
169.05028	0.2
171.00081	0.1
179.05598	3.4
181.12354	0.6
181.89096	0.1
185.04498	0.2
189.73181	0.1
191.10803	1.0
199.06102	0.4
199.13280	0.3
203.05641	0.2
209.11816	100.0
210.12143	4.3
217.07111	0.8
221.06650	1.5
227.12874	12.2
228.13231	0.5
229.49498	0.2
235.08217	4.9
236.08420	0.2
245.06697	0.3
251.12741	0.4
253.09433	0.7
259.08273	0.4
259.20566	0.2
263.07620	0.4
275.20093	0.3
277.21707	52.6
278.22049	3.7
287.07739	1.5
291.23322	0.3
305.08783	2.0
319.22870	0.3
323.09885	1.1
323.13058	0.2
361.11298	0.3
379.12439	6.8
380.12708	0.5
397.13480	37.9
398.13831	2.3
415.14557	8.2
416.14774	0.3
439.93951	0.1
497.20331	0.2
558.62097	0.2
572.67242	0.1
589.25073	0.7
607.26532	0.9
657.34570	0.2
675.36041	1.0
885.48456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	0.4
63.28153	0.1
64.03907	0.1
68.99833	0.2
69.03462	0.8
71.01382	13.4
71.05009	0.2
71.16079	0.2
72.99302	0.9
73.02942	1.9
75.00861	0.3
79.95728	0.3
80.02674	1.1
81.03457	2.0
83.01388	1.7
83.05028	4.9
84.02158	0.8
85.02948	3.0
86.00095	0.1
87.00333	0.2
87.00873	3.2
87.01381	0.2
89.02445	10.7
90.02761	0.2
91.04015	0.2
93.03452	0.3
95.01385	1.0
95.05032	0.7
97.02953	2.5
97.06578	0.3
99.00874	0.7
99.04547	0.2
101.02443	10.5
102.02775	0.2
109.02934	0.3
109.06595	0.3
111.00897	0.3
111.04517	0.3
111.08145	0.2
113.02453	6.4
119.03507	3.0
121.02956	0.2
123.00903	0.2
123.04556	0.2
124.01720	0.2
125.02446	5.0
125.06062	0.5
127.03967	0.2
131.03526	0.7
133.05052	0.3
134.89500	0.3
135.08180	0.8
139.03999	0.4
141.01941	0.4
143.03496	2.3
145.05052	0.2
147.11810	0.2
149.04565	0.4
151.49211	0.1
161.04553	3.2
163.11285	4.2
164.11526	0.1
165.12852	2.3
167.03471	0.3
169.05048	0.2
176.16820	0.1
179.05600	3.6
179.07188	0.2
181.05124	0.1
181.12401	0.6
185.04530	0.2
186.34309	0.1
191.10771	1.1
199.06073	0.4
199.13417	0.3
203.05597	0.1
209.11819	100.0
210.12161	4.7
210.14218	0.1
211.13452	0.3
217.07146	0.7
219.05093	0.2
221.06685	1.3
223.13361	0.3
227.12877	11.1
228.13158	0.5
233.11871	0.2
233.22610	0.1
235.08214	4.8
236.08536	0.1
245.06697	0.3
248.86740	0.1
251.12947	0.6
253.09204	0.8
259.08209	0.5
263.07693	0.4
267.15442	0.1
269.06741	0.2
269.13852	0.2
277.21713	41.6
278.22037	2.9
287.07727	1.6
288.32294	0.1
291.23300	0.2
293.21115	0.3
305.08789	1.8
323.09805	1.0
361.11606	0.2
379.12445	6.2
380.12744	0.3
397.13492	31.3
398.13831	2.0
413.18161	0.3
415.14569	7.5
416.14914	0.3
572.80273	0.1
589.24896	0.6
590.24396	0.2
607.26135	1.4
625.26788	0.2
657.35089	0.2
675.35913	0.4
885.48273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.484
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98528	0.9
62.99251	0.5
63.99245	0.5
69.03437	1.1
71.01381	11.1
71.36318	0.6
72.99317	1.0
73.02949	1.7
79.95758	0.8
80.96511	2.5
83.01404	1.1
83.05045	0.6
85.02974	2.5
87.00903	2.6
89.02444	8.3
95.01381	1.1
97.02964	1.2
97.06616	0.5
99.00872	0.7
101.02439	7.5
109.26215	0.4
111.08170	0.6
113.02465	4.1
119.03517	1.8
125.02457	2.7
131.03516	0.5
143.03496	0.8
161.04572	1.1
165.12854	3.2
167.31650	0.4
179.05678	0.7
183.13907	24.4
184.14297	1.3
209.11838	3.2
221.06635	1.2
225.00761	1.3
227.12895	2.2
235.08218	1.4
243.87646	0.5
268.55435	0.4
277.21722	28.0
278.22012	2.0
379.12311	0.8
397.13492	4.9
415.14493	1.0
578.73529	0.4
607.26202	0.9
625.26282	0.6
885.48444	57.7
886.48712	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	885.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	4.4
64.79823	0.6
65.59938	0.5
69.03454	2.2
71.01382	24.7
71.41438	1.0
72.99310	2.4
73.02958	3.5
74.32477	0.5
75.00871	1.0
77.07507	0.6
79.72895	0.5
81.03455	1.4
83.01390	2.9
83.05023	2.4
85.02948	6.5
87.00874	6.6
89.02441	20.4
91.04008	0.6
95.01389	2.3
97.02948	3.1
99.00872	1.7
101.02442	18.6
101.04970	0.5
111.00890	1.0
113.02447	10.3
114.93454	0.8
116.92834	1.3
119.03497	4.9
121.02930	0.6
122.93277	0.5
125.02454	8.5
131.03496	0.8
133.05074	0.5
137.02534	0.5
139.04024	0.7
141.01973	1.1
143.03546	2.8
161.04520	5.6
163.11298	1.0
165.12845	2.3
167.03448	1.2
167.10716	0.6
167.14336	0.6
171.10188	0.7
179.05611	6.6
179.14371	0.7
181.12428	1.0
183.13879	6.7
191.10721	0.8
191.83102	0.5
193.12289	1.7
195.13916	5.7
199.06129	0.6
199.13397	11.2
205.12228	1.0
209.11816	38.6
210.12120	1.3
211.13385	77.8
212.13722	4.4
217.07176	1.0
221.06720	2.4
223.13354	4.2
227.12883	32.4
228.13432	1.8
229.14513	1.3
235.08195	6.7
245.13896	0.9
253.09322	1.3
256.13284	0.8
263.07706	0.9
275.20148	4.3
277.21707	30.3
278.21948	1.6
287.07800	1.9
293.21222	100.0
294.21579	6.9
305.08713	2.2
323.09827	1.7
379.12405	6.8
397.13480	54.9
398.13885	3.6
415.14539	18.6
416.15149	0.8
469.33258	1.6
487.34372	1.1
558.90192	0.5
589.25079	0.7
591.26752	3.5
607.26379	4.0
607.53491	0.5
609.27789	7.3
610.27832	0.8
625.27203	6.0
626.27399	0.6
673.34479	2.2
675.35895	0.7
691.35413	3.4
692.35187	0.6
867.47986	1.4
885.48590	8.6
886.48218	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98533	0.1
69.73974	0.1
71.01405	0.5
71.41500	0.2
79.95715	0.2
80.96503	0.6
85.02948	0.2
87.00854	0.1
89.02448	0.3
91.87193	0.1
94.98096	0.1
101.02449	0.4
105.88252	0.1
113.02463	0.2
116.92882	0.2
127.79503	0.1
128.00218	0.1
183.13921	0.7
187.20505	0.1
207.10294	0.2
209.11836	0.5
225.00763	0.1
225.11340	0.2
235.08406	0.2
277.21695	1.2
278.22299	0.1
293.21249	0.1
309.20718	0.2
325.06421	0.1
351.11429	0.1
397.13388	0.5
404.63943	0.1
490.92923	0.1
495.59982	0.1
771.93207	0.1
884.46790	0.3
885.48273	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	885.193
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02758	0.2
69.69185	0.8
69.69606	0.4
71.01378	0.2
75.00871	0.2
79.95735	33.7
80.96510	0.5
84.70495	0.2
85.02946	0.6
86.26387	0.2
90.07159	0.2
95.94605	0.4
95.95232	10.2
96.96009	65.3
101.16613	0.2
108.02149	0.4
108.91884	0.2
109.73501	0.2
109.96788	0.2
110.97584	4.6
112.25546	0.2
113.02457	0.7
123.04496	0.3
137.02440	1.7
141.95747	1.2
149.99904	0.7
151.00600	0.2
158.00253	0.2
159.04488	0.2
160.05260	0.4
161.06114	0.3
163.03986	0.7
164.98561	0.4
175.02446	0.3
175.07553	0.4
177.05528	0.5
178.06419	0.2
259.02814	1.4
263.01724	0.2
269.04541	3.2
270.04810	0.4
271.02582	0.5
273.04364	0.2
300.02814	1.7
301.03702	0.5
315.05511	0.9
329.13806	0.6
409.43759	0.2
424.08380	3.8
425.08932	0.3
433.07715	2.3
434.07800	0.5
439.10635	100.0
440.10950	9.2
445.07581	1.2
502.57755	0.2
565.73920	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
69.85759	0.8
71.01398	0.3
79.95743	0.3
80.66375	0.1
80.96519	0.8
94.98096	0.2
98.20676	0.2
101.02451	0.2
121.22524	0.2
123.43838	0.1
125.46460	0.2
147.42336	0.1
209.11867	0.4
225.00731	0.2
227.12991	0.2
274.19305	0.1
277.21744	0.4
397.13965	0.2
537.93689	0.2
631.69324	0.1
693.86566	0.2
885.47455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	18.4
69.03480	0.3
71.01379	1.2
71.53243	0.3
71.66790	0.2
79.96321	0.3
80.02678	0.9
81.03459	1.1
83.01372	0.5
83.05026	5.2
84.02160	0.7
85.02968	0.6
87.00845	0.3
89.02434	0.7
93.03452	0.3
95.05029	0.8
96.95992	0.7
101.02436	1.0
109.02949	0.2
109.06559	0.7
113.02434	0.7
116.92926	0.2
125.02425	0.4
125.06080	0.4
125.09732	0.5
135.08183	0.8
139.04089	0.3
147.11809	0.2
149.09717	0.3
161.04526	0.4
163.11272	3.7
165.12833	2.1
167.03613	0.3
171.10263	3.5
181.12387	0.8
191.10768	1.1
208.95470	0.2
209.11818	100.0
210.12193	4.5
211.13388	0.3
227.12878	16.4
228.13176	0.6
235.08284	1.2
247.13399	1.8
253.09259	1.8
253.47925	0.3
265.14398	0.9
401.23294	0.6
419.24335	0.3
445.20770	1.3
462.52640	0.3
547.97705	0.2
611.30615	0.3
619.30939	0.3
637.32361	0.8
655.33612	0.4
737.70618	0.3
829.44012	0.3
847.45300	0.7
848.47626	0.3
883.47278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.81261	0.1
62.98538	0.2
69.65514	0.2
69.65929	0.3
71.01414	0.1
82.27813	0.1
87.00926	0.1
89.02448	0.1
100.23405	0.1
114.11548	0.1
117.73232	0.1
124.65349	0.1
125.02405	0.1
133.35466	0.1
139.38879	0.1
209.11841	0.9
210.12250	0.2
211.13498	0.5
212.13747	0.2
227.12910	0.2
245.23041	0.1
397.13660	0.3
452.84720	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	881.5275
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	22.1
63.14689	1.1
67.95396	1.0
69.03455	1.6
69.23387	1.1
71.01377	19.3
73.02940	3.7
83.01384	2.0
83.05025	2.6
85.02955	6.2
87.00868	6.1
87.48235	1.1
89.02441	16.1
95.01391	1.6
97.02952	5.5
99.00928	1.2
101.02438	15.9
111.08186	2.6
113.02454	9.1
119.03490	4.1
125.02428	5.9
125.09711	1.4
127.11280	2.1
131.03542	1.0
137.09697	2.5
143.03465	3.4
161.04556	5.6
163.11272	4.3
165.09068	1.5
165.12802	6.0
171.10237	7.1
174.01706	1.3
179.05550	4.4
179.89374	1.2
183.13850	1.6
191.10628	1.3
192.52576	1.2
195.13873	5.8
197.11786	3.4
201.11311	53.9
202.11586	2.4
207.10271	1.3
209.11816	74.4
210.12123	4.1
211.13403	4.6
221.06612	1.4
223.13315	5.7
225.11363	1.8
227.12856	12.4
235.08218	8.8
247.20570	2.2
253.09282	30.9
255.23260	51.7
256.23636	4.7
273.18655	2.4
275.20084	7.8
277.21765	2.3
287.07690	1.7
291.19675	28.9
292.20169	1.7
293.21234	100.0
294.21548	7.1
304.65884	1.2
305.08075	1.4
309.20706	68.6
310.21024	4.5
323.09924	2.1
334.77466	1.2
379.12448	10.6
397.13480	47.3
398.13776	2.5
415.14716	8.2
527.28412	1.4
529.30365	3.9
545.29639	3.8
579.36829	1.7
581.24341	2.4
585.23517	1.3
585.41534	4.3
589.25134	1.5
599.25586	2.0
607.25806	1.4
635.36334	3.1
653.37903	9.4
654.37164	1.8
761.22339	1.2
784.57251	1.3
837.47974	1.8
881.50653	4.1
910.85980	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	881.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	14.1
70.71847	1.8
71.01377	24.9
71.09669	2.9
72.99313	3.3
73.02966	3.4
80.02648	1.5
81.03458	2.3
83.01376	2.6
83.05005	5.0
85.02966	6.2
87.00883	5.5
89.02448	24.3
95.01374	2.6
97.02950	4.3
99.00874	2.8
100.18673	1.6
101.02440	21.8
113.02446	10.0
119.03501	6.8
125.02442	8.7
125.09715	2.0
127.11280	3.8
140.19559	1.4
141.01761	1.4
143.03522	4.5
155.10791	1.9
161.04533	4.9
163.11230	3.6
165.12852	3.0
171.10251	4.7
174.01762	1.5
179.05580	4.1
186.86337	1.7
197.11841	3.2
201.11325	82.8
202.11545	2.1
209.11826	100.0
210.12183	3.4
211.13354	5.4
227.12900	14.2
235.08305	7.9
244.54460	1.4
247.64948	1.4
253.09242	8.6
255.23285	74.4
256.23618	5.4
270.20490	1.8
275.20151	3.0
277.21692	2.8
291.19724	6.0
293.21194	20.0
305.08673	3.9
309.20667	15.9
323.09921	3.1
379.12335	15.3
397.13486	66.5
398.13770	3.7
415.14496	13.5
581.24615	3.0
585.41278	1.8
589.24591	2.0
599.25525	3.6
607.26385	2.6
635.36670	3.8
648.59229	1.8
653.37567	10.4
654.37970	2.3
749.85406	1.7
837.48041	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	881.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	18.7
64.60040	1.2
71.01379	24.1
72.18166	1.5
72.99287	3.6
73.02937	4.5
80.08564	1.4
81.03445	2.2
83.01382	3.3
83.05025	4.5
84.02242	1.2
85.02954	6.4
87.00877	5.9
89.02443	16.2
93.03445	1.2
95.05029	1.7
97.02946	3.7
99.00922	1.3
101.02444	16.6
113.02457	9.5
119.03500	4.8
125.02438	9.4
125.09696	2.3
127.11276	3.2
131.03572	1.7
137.07205	1.7
142.99818	1.7
143.03468	2.1
161.04526	5.5
163.11234	3.6
165.09212	2.1
165.12834	3.1
165.60126	1.4
171.10196	4.9
174.01642	1.7
175.02452	1.5
179.05626	5.6
181.12248	1.7
195.13884	2.0
199.09578	1.4
201.11316	72.7
202.11569	2.8
209.11813	100.0
210.12134	4.7
211.13382	7.7
218.53442	1.4
221.06555	2.2
223.13402	1.5
227.12888	14.6
229.36414	1.4
235.08231	8.8
253.09322	7.7
255.23277	70.4
256.23560	5.4
277.21640	5.6
287.07693	2.0
291.19736	6.5
293.21210	17.5
305.08722	2.0
309.20627	15.1
379.12531	12.6
397.13516	59.1
398.13733	4.3
415.14560	11.4
526.23871	1.3
581.23999	3.8
589.24829	3.9
599.25562	2.3
635.36340	2.9
653.37720	8.9
837.47046	1.8
840.89362	1.5
881.46082	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	881.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	0.8
81.03451	1.1
83.01387	3.5
83.11440	0.6
89.03947	0.7
93.03457	1.9
95.01411	1.0
95.05010	0.9
97.02940	2.1
100.89097	0.5
105.03441	1.1
107.05026	2.1
109.02954	9.9
109.28255	0.5
111.04503	1.0
117.03438	0.6
118.62236	0.5
119.05027	1.4
121.02954	2.9
123.00854	1.1
123.04531	3.7
124.01670	1.0
125.02448	100.0
126.02777	2.3
131.05019	1.5
133.02930	5.0
135.04512	1.9
137.02438	18.2
138.03185	0.8
139.04030	5.1
147.04497	1.1
149.02455	4.2
149.06055	0.9
151.00349	0.8
151.04005	9.1
159.04518	2.6
161.02448	24.8
161.06071	1.5
162.02939	1.2
163.00394	3.0
163.04037	4.3
164.01157	6.2
165.01924	9.2
167.03522	4.8
171.04488	0.6
173.06079	0.9
174.03297	1.0
175.02534	1.3
175.03998	14.8
176.01047	1.3
177.01932	27.5
177.05573	1.8
178.02493	2.0
179.03494	4.5
187.04027	3.1
189.01959	2.4
189.05540	1.3
191.03534	1.4
193.05067	1.6
199.04037	4.9
201.02013	0.7
201.05574	1.9
202.06236	0.6
203.03505	2.3
203.07141	2.1
203.39430	0.5
204.04222	0.9
205.01494	1.5
205.05034	1.9
211.04013	0.7
213.05663	1.2
215.03470	1.5
217.01454	1.1
217.05029	6.5
219.02992	3.6
219.06558	3.4
221.04594	1.7
221.08435	0.7
225.05582	0.7
227.03514	2.2
227.07245	0.7
228.04256	1.1
229.05043	2.2
231.03023	1.2
231.06564	0.7
241.05110	0.9
243.02979	19.8
243.06653	1.7
244.03371	1.9
245.04567	8.4
245.08162	2.4
246.04932	1.2
253.05136	0.7
255.02965	8.5
256.03687	3.0
257.04507	2.3
261.04050	7.8
261.07483	0.9
269.04492	3.9
271.06091	0.7
273.04047	1.9
281.04556	1.8
282.01663	1.5
283.02515	4.3
285.04062	2.5
286.04767	0.7
287.05588	21.2
288.05936	1.4
289.07156	6.6
290.07516	0.6
295.06076	0.7
297.04056	2.6
299.05331	2.9
303.05106	5.9
305.06680	14.5
327.05289	1.1
341.06735	0.7
357.06271	0.7
363.05106	1.2
387.05322	0.8
391.04413	1.0
405.06110	4.5
407.07712	6.6
413.08716	3.5
423.07242	17.0
424.07596	2.0
425.08786	5.1
429.08200	1.4
441.08350	3.8
449.08539	4.0
451.10501	2.4
465.07889	2.9
467.09854	6.3
468.10251	0.7
483.08911	0.6
525.08234	0.7
533.10809	1.1
541.08362	1.4
543.09290	3.1
559.09052	0.8
561.10406	1.0
575.11810	6.1
577.13757	3.3
578.13275	0.7
585.10504	1.2
591.10913	2.7
593.12982	9.0
594.13446	1.0
603.11542	1.5
695.14001	5.5
696.14508	0.8
711.13501	4.8
712.13855	0.8
713.15186	1.9
729.14679	2.0
755.15546	2.8
881.20099	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	879.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98810	1.9
63.96230	2.9
69.03464	1.2
71.01381	9.5
72.10505	0.9
73.02937	2.3
74.38322	0.8
78.95901	1.2
78.98594	7.2
79.95286	1.7
79.95737	22.5
80.96516	96.5
81.03461	1.5
85.02954	4.2
87.00860	3.5
93.97677	0.8
94.98088	24.6
96.95986	1.9
97.02940	2.2
99.00899	1.1
101.02425	2.6
106.98080	3.8
109.73894	0.8
116.92883	1.0
122.97581	4.9
125.02444	3.8
127.03973	0.9
134.97604	6.5
136.99095	1.7
148.99142	8.4
152.98636	6.5
164.98619	16.1
206.99654	2.6
214.78868	0.9
225.00734	26.2
255.23189	1.2
283.28641	0.9
341.05414	1.1
437.03082	1.0
515.60712	0.8
537.27557	2.0
594.37524	1.0
623.27411	1.3
709.38293	1.9
735.40253	1.1
879.51190	100.0
880.51599	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	879.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	2.9
64.75739	1.3
69.03465	1.6
71.01379	22.4
71.05026	2.3
71.08315	2.2
72.99304	2.4
73.02945	4.6
78.95922	1.2
79.85267	1.1
81.03449	1.6
83.01390	3.0
85.02946	5.4
87.00858	5.1
89.02441	16.8
95.01382	2.4
97.02929	6.9
97.06573	2.1
98.20663	1.2
99.00870	10.1
101.02455	16.8
109.06593	2.9
111.04515	1.2
111.08180	1.6
111.72359	1.1
113.02457	7.9
119.03505	3.4
123.08147	1.3
125.02418	5.9
125.09705	6.1
135.08131	1.9
138.84297	1.3
142.02591	1.5
143.03473	2.6
149.04465	1.5
153.12863	1.3
161.04567	3.9
163.11247	8.0
171.10258	23.4
179.05614	2.1
181.12308	11.7
197.11795	5.4
199.09827	1.2
199.13385	10.9
201.11334	3.6
207.10257	25.6
221.06644	2.4
225.11322	41.7
226.11765	1.8
235.08200	3.2
243.12352	8.0
253.09294	3.4
255.23285	71.1
256.23642	4.9
287.07440	1.3
291.19638	24.4
292.20151	1.4
309.20667	9.6
379.12604	5.1
397.13504	21.0
415.14545	4.0
551.23456	2.0
601.96240	1.6
605.23883	3.4
623.25665	3.0
635.36682	1.5
653.37817	3.8
747.57983	1.5
861.48523	13.3
879.49609	100.0
880.50085	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	879.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	3.1
63.26246	0.5
69.03439	0.8
71.01009	1.1
71.01380	17.1
72.99297	1.5
73.02944	2.5
75.00856	0.8
80.02659	0.9
81.03452	1.5
83.01379	1.3
83.05035	4.5
84.02161	0.5
85.02943	2.5
87.00873	4.1
89.02440	14.1
95.01399	1.5
95.18553	0.5
95.69051	0.6
97.02947	2.6
99.00837	0.8
101.02448	11.6
111.08076	0.7
111.71114	0.6
113.02458	6.5
119.03491	3.0
125.02441	4.8
125.06076	0.7
131.03497	0.7
135.41522	0.6
138.02806	0.7
143.03481	1.7
161.04568	3.2
163.11266	3.8
165.12866	2.4
179.05641	2.9
181.12326	0.8
181.27399	0.6
183.13876	8.1
184.59857	0.7
191.10832	1.1
193.12225	1.4
209.11815	100.0
210.12149	4.9
211.13385	96.6
212.13649	4.1
217.07117	0.7
221.06538	1.0
227.12874	14.4
228.13148	1.0
235.08191	4.1
274.46741	0.6
287.07712	1.8
305.08762	1.9
323.09784	1.5
361.11264	0.6
373.27194	0.7
379.12442	9.1
397.13477	36.5
398.13730	2.6
415.14639	8.3
416.15027	0.7
454.78574	0.6
524.91223	0.7
589.25116	2.8
591.26648	6.0
592.27234	0.7
607.25958	4.2
608.26746	0.8
609.27618	9.1
610.27954	1.4
783.37823	1.7
801.39099	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	879.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02381	0.9
65.00324	1.1
69.26235	0.3
69.69127	1.5
71.01360	1.2
79.33684	0.3
83.01397	0.6
84.89238	0.3
85.02948	2.9
87.00864	0.3
90.81313	0.3
95.01388	0.9
98.20654	0.5
99.00857	1.2
103.00360	0.6
107.01386	1.0
108.02180	0.9
109.02914	0.6
113.02455	6.3
117.02021	0.3
117.03449	1.2
121.02981	0.8
125.02396	0.3
148.01669	0.8
149.02374	0.7
149.20221	0.4
151.00386	5.0
159.31201	0.3
161.02449	0.3
163.00368	0.7
164.01094	0.6
175.02461	3.6
178.99872	2.0
199.03877	0.5
226.02679	0.9
227.03471	1.0
243.00479	0.4
243.02979	5.4
244.03535	0.5
245.04506	0.3
254.02245	1.7
255.02968	13.9
256.03360	1.1
260.62994	0.3
269.04541	29.3
270.04895	1.9
271.02472	31.1
272.02902	2.0
283.02423	0.5
299.02142	0.4
300.02740	84.3
301.03397	21.5
302.03992	1.5
323.19604	0.4
433.07730	100.0
434.07980	8.8
445.07730	8.8
446.08026	0.8
513.60553	0.3
789.14154	0.4
843.95074	0.4
902.01776	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.241
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02394	0.5
65.00311	0.6
67.01873	0.2
70.67343	0.5
71.01384	2.2
72.99289	0.3
73.02944	0.2
73.66122	0.2
75.00854	0.6
83.01381	0.6
85.02947	2.4
87.00871	0.9
89.02422	0.3
95.01381	0.6
99.00868	1.1
103.00375	0.3
105.03476	0.3
107.01403	1.1
109.02944	0.5
113.02460	2.0
114.51172	0.1
115.00394	0.2
117.01962	0.4
121.02941	0.4
123.04514	0.5
125.02448	0.2
129.01950	0.3
133.02948	4.5
143.04965	0.2
149.02414	1.3
151.00351	3.5
151.03928	0.2
167.03514	1.5
174.02995	0.2
175.02522	0.3
175.03993	1.7
177.01939	0.3
185.06062	0.4
189.05566	0.3
191.03668	0.3
191.05597	1.1
197.06059	0.4
198.03122	0.2
199.03981	1.7
201.01932	0.7
210.33159	0.2
211.04016	0.2
212.04736	0.2
213.05586	0.4
215.03516	0.2
217.05014	1.1
226.02940	0.2
229.05118	0.3
240.04248	0.2
241.04990	0.7
243.02934	0.6
257.04587	0.4
284.03415	0.4
285.04028	100.0
286.04364	6.8
287.04529	0.2
297.04034	0.4
299.05548	0.3
327.05118	1.3
355.04572	0.3
357.06140	1.0
371.09845	0.7
381.06128	0.3
415.16306	1.2
461.07227	55.1
462.07571	5.9
463.08066	0.5
671.12897	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	2.1
69.03458	4.3
70.51884	1.5
71.01013	1.2
71.01382	13.4
71.04993	1.2
72.99310	1.9
73.02926	2.5
83.01392	1.8
83.36228	0.6
85.02939	2.8
87.00862	1.9
87.04955	0.7
89.02451	8.9
95.01394	0.7
95.04984	0.8
95.70585	0.7
97.02943	2.2
99.00856	1.7
101.02444	8.6
113.02454	5.0
113.03122	1.0
116.92830	2.7
118.92683	0.8
119.03474	1.8
119.94627	0.9
121.02974	0.8
125.02444	1.3
125.09710	2.0
151.11252	1.5
153.12822	0.9
161.04494	1.4
161.09711	3.3
174.64157	0.6
179.10751	4.6
196.70970	0.7
197.11818	34.2
198.12122	1.2
209.11815	1.5
221.06627	1.7
223.09691	1.2
235.08029	1.0
241.10756	2.4
247.16737	0.7
255.23296	44.0
256.23581	2.9
280.32959	0.8
397.13382	1.3
877.47961	100.0
878.48370	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	877.241
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02394	0.5
65.00311	0.6
67.01873	0.2
70.67343	0.5
71.01384	2.2
72.99289	0.3
73.02944	0.2
73.66122	0.2
75.00854	0.6
83.01381	0.6
85.02947	2.4
87.00871	0.9
89.02422	0.3
95.01381	0.6
99.00868	1.1
103.00375	0.3
105.03476	0.3
107.01403	1.1
109.02944	0.5
113.02460	2.0
114.51172	0.1
115.00394	0.2
117.01962	0.4
121.02941	0.4
123.04514	0.5
125.02448	0.2
129.01950	0.3
133.02948	4.5
143.04965	0.2
149.02414	1.3
151.00351	3.5
151.03928	0.2
167.03514	1.5
174.02995	0.2
175.02522	0.3
175.03993	1.7
177.01939	0.3
185.06062	0.4
189.05566	0.3
191.03668	0.3
191.05597	1.1
197.06059	0.4
198.03122	0.2
199.03981	1.7
201.01932	0.7
210.33159	0.2
211.04016	0.2
212.04736	0.2
213.05586	0.4
215.03516	0.2
217.05014	1.1
226.02940	0.2
229.05118	0.3
240.04248	0.2
241.04990	0.7
243.02934	0.6
257.04587	0.4
284.03415	0.4
285.04028	100.0
286.04364	6.8
287.04529	0.2
297.04034	0.4
299.05548	0.3
327.05118	1.3
355.04572	0.3
357.06140	1.0
371.09845	0.7
381.06128	0.3
415.16306	1.2
461.07227	55.1
462.07571	5.9
463.08066	0.5
671.12897	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02376	0.5
65.00331	0.4
67.01877	0.8
68.99821	0.6
69.03425	0.3
69.29759	2.6
70.95168	0.3
71.01379	8.8
72.99319	1.4
73.02927	1.0
75.00870	4.4
80.88045	0.4
81.03477	0.3
83.01384	1.4
84.02159	0.4
85.02948	20.7
86.03269	0.6
87.00872	2.6
89.02453	1.5
90.98586	1.2
93.03449	0.4
95.01389	6.4
97.02947	0.4
99.00268	0.5
99.00882	6.6
101.02440	0.4
102.98579	0.5
103.00381	3.1
107.01395	0.5
111.87959	0.3
113.02449	33.6
114.02767	0.6
115.00368	1.8
116.69216	0.3
117.01952	2.3
120.99638	0.4
123.00884	0.3
123.04488	0.3
124.01668	0.8
125.02464	2.5
129.01933	1.4
133.02945	0.8
134.03743	1.0
137.02419	1.0
139.00378	0.8
148.01666	0.4
149.99599	0.7
151.00336	1.6
157.01329	0.6
159.04521	0.9
163.11423	0.4
165.01866	0.8
167.03488	1.3
168.00630	1.6
169.01447	0.5
171.13388	0.3
175.02475	16.2
175.03903	0.7
176.02782	0.5
183.04366	0.3
187.04027	3.5
189.05547	0.6
199.03964	0.5
199.16937	0.3
203.03500	0.6
205.05008	1.7
207.02989	0.4
207.10231	1.3
215.03510	1.0
227.03403	0.7
231.02979	0.5
233.04523	7.4
255.02899	0.7
256.03720	4.5
261.04001	1.4
269.04541	1.0
273.04211	0.4
284.03247	75.7
285.03854	12.1
286.04379	0.8
293.10440	0.4
299.05591	100.0
300.05930	6.7
313.07211	0.4
341.06778	0.7
347.98309	0.4
371.07980	0.3
399.07166	4.6
399.12210	0.5
400.07333	0.7
413.14441	0.6
461.07278	4.2
475.08804	78.1
476.09171	8.2
875.28455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02402	0.7
65.00324	0.5
68.99812	0.2
69.17062	1.0
69.17484	0.5
71.01377	2.1
72.99300	0.3
73.02942	0.2
75.00866	0.5
77.36224	0.2
79.95742	0.2
83.01388	0.5
85.02959	2.9
87.00887	0.7
89.02445	0.6
95.01387	0.5
96.96021	3.5
98.95591	1.4
98.96348	0.2
99.00888	1.1
103.00356	0.4
105.03439	0.2
107.01392	1.5
109.02950	0.5
113.02450	2.1
115.00378	0.5
117.01919	0.4
121.02962	0.3
125.02393	0.2
129.01929	0.2
133.02953	4.7
134.03325	0.2
149.02428	1.5
151.00371	3.3
151.04041	0.2
153.61652	0.2
159.04529	0.2
171.04459	0.2
175.02425	0.5
175.03928	2.0
177.01881	0.3
185.06081	0.4
197.06026	0.3
198.03270	0.2
199.04012	2.0
201.01923	0.6
213.05525	0.5
215.03633	0.3
217.04988	1.3
218.05298	0.2
221.36588	0.2
226.02666	0.1
229.04941	0.3
231.32376	0.2
239.03224	0.2
241.05011	0.9
243.02986	0.6
257.04559	0.3
267.02917	0.2
284.03271	0.6
285.04031	100.0
286.04382	7.7
286.06784	0.1
286.07700	0.2
287.04404	0.3
297.04041	0.5
298.04715	0.2
308.23499	0.2
327.05069	1.0
328.05341	0.2
338.38043	0.2
355.04388	0.3
357.06033	1.2
369.06308	0.3
381.06058	0.3
411.07568	1.0
412.07993	0.9
413.07523	1.3
461.07233	58.6
462.07590	6.3
463.07260	0.2
648.39465	0.2
735.95300	0.2
742.96002	0.2
899.60376	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	2.8
64.16865	1.9
71.01398	3.5
71.41890	4.1
73.02937	2.6
74.83173	1.7
89.02424	5.1
99.92584	11.3
101.02498	2.9
104.80604	1.9
114.93403	5.2
116.92859	100.0
117.92879	4.4
125.02435	4.9
126.01665	1.8
134.89499	2.3
149.04535	7.6
171.10243	4.2
197.11804	12.0
209.11745	3.8
211.13446	4.3
219.08061	2.5
253.09282	8.2
277.21594	5.8
291.19675	11.1
309.20749	44.1
310.21039	4.0
320.58240	2.4
527.28339	3.5
545.29443	7.3
621.30988	2.5
819.47559	2.9
873.47968	23.8
874.48303	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	873.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	8.7
70.42181	3.9
71.01375	5.0
71.41934	6.5
72.44771	4.0
74.87445	5.9
83.37247	5.0
87.08514	4.1
89.02430	12.6
92.28156	4.1
95.84503	4.8
99.92583	10.5
114.93399	13.0
116.92100	7.0
116.92867	100.0
117.92872	9.7
119.08707	5.2
125.02454	5.2
134.89452	14.4
149.04504	14.4
171.10179	5.9
197.11835	23.0
201.95233	4.2
209.11969	5.8
211.13341	7.4
253.09264	16.8
291.19635	19.6
304.83078	4.1
309.20700	71.4
309.54599	4.8
553.52649	4.7
655.60620	5.4
732.00128	5.0
873.47882	71.1
874.48029	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	873.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	0.1
64.38428	0.1
64.87193	0.1
64.90719	0.1
66.54264	0.1
69.03446	0.1
71.01377	0.4
71.42255	0.2
73.02934	0.7
87.00884	0.2
88.47121	0.1
89.02443	0.2
93.28172	0.1
96.96021	0.3
98.95663	0.1
99.00887	0.1
99.92584	11.5
100.92609	0.4
113.02430	0.1
114.93424	1.2
115.72971	0.1
116.92863	100.0
117.01929	1.0
117.92870	4.6
118.92711	0.3
125.02459	0.2
131.91550	0.1
136.95955	0.1
139.32884	0.1
171.10297	0.1
199.09787	0.4
201.11353	0.1
207.10204	0.1
209.11859	0.3
211.13368	0.9
225.11288	0.2
227.13007	0.1
293.21579	0.2
397.13516	0.3
470.07944	0.2
842.38727	0.2
873.41968	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	873.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98806	0.1
67.40637	0.1
67.55259	0.0
69.46976	0.3
71.01389	0.1
71.28195	0.1
73.02947	0.8
97.93128	0.1
99.00883	0.2
99.92585	11.3
100.92587	0.4
114.93430	0.9
116.92862	100.0
117.01933	1.5
117.92869	4.6
128.47366	0.1
209.11763	0.1
243.91469	0.0
577.87866	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	873.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	0.1
71.01398	0.1
73.02946	1.4
80.15781	0.1
90.10374	0.1
90.15139	0.1
90.91116	0.1
96.96006	0.1
98.20779	0.2
99.00879	0.3
99.92587	11.7
100.92603	0.5
100.93183	0.1
105.69661	0.1
114.93427	0.7
116.03601	0.1
116.92864	100.0
116.97196	0.7
117.01936	2.2
117.92867	4.6
125.02442	0.1
127.28284	0.1
131.91592	0.1
133.01457	0.1
162.36363	0.1
171.10210	0.1
198.18979	0.1
199.09587	0.1
209.11809	0.2
229.14919	0.1
376.80313	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	871.462
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70284	7.2
61.98823	20.8
68.99568	9.6
70.06533	29.4
71.01378	15.3
74.17197	6.9
89.23829	9.1
96.96074	8.2
103.41568	7.7
109.58150	8.0
114.93377	13.6
116.92868	43.6
167.93063	9.2
169.12306	23.2
277.21671	20.1
298.09036	8.1
307.19208	13.6
309.20798	17.6
362.44492	8.4
519.94727	9.4
871.46606	100.0
872.46484	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	871.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	3.1
65.02593	0.9
67.05322	1.1
69.03458	1.6
70.07159	4.6
71.01379	14.1
72.99271	1.2
73.02931	2.1
73.90512	1.0
83.01395	1.8
85.02934	2.6
87.00838	2.3
89.02448	12.1
90.52311	1.0
95.01387	1.4
97.02905	2.1
97.06590	2.1
101.02448	8.0
113.02430	4.1
116.92831	2.5
119.03490	2.1
125.02408	3.2
134.03398	1.0
144.36873	1.2
151.11281	12.2
161.04611	1.3
169.12332	63.1
170.12686	2.3
179.05455	1.2
195.10292	1.5
200.15353	1.1
213.11369	8.3
219.60960	1.2
221.06670	2.6
277.21747	14.4
307.19043	1.0
309.20612	1.9
397.13602	2.3
593.24475	1.7
611.25446	2.4
871.46899	100.0
872.47119	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	871.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	3.5
63.59777	1.7
69.03455	2.1
71.01378	12.0
73.02943	2.1
78.39817	1.7
85.02967	2.8
87.00871	4.6
89.02442	12.8
97.06595	6.5
98.59650	1.6
101.02439	8.2
110.30862	1.8
113.02434	5.4
116.45809	1.7
116.92896	1.7
119.03484	2.7
122.37372	1.8
125.02413	5.1
137.02451	2.0
151.11269	11.1
169.12347	35.6
186.16631	2.2
213.11328	8.3
221.06583	2.6
229.23242	2.3
241.22490	1.7
252.92570	1.9
277.21698	28.1
278.21777	2.7
346.58664	1.9
347.76230	2.0
355.45358	1.8
397.13226	2.6
436.86908	2.1
730.75385	2.2
778.52429	2.1
871.46997	100.0
872.47241	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	868.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
65.77460	0.1
69.49170	0.2
69.49477	0.8
71.01373	0.2
79.95735	0.2
80.96524	0.4
93.03479	0.3
96.96027	0.2
116.63708	0.1
125.02451	0.4
126.21794	0.1
137.02469	0.1
153.41879	0.1
163.03983	0.2
173.04489	0.3
187.26582	0.1
209.12015	0.2
210.12210	0.1
328.22595	0.1
615.72247	0.1
731.23322	0.1
802.54156	0.2
812.66309	0.1
869.33362	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98537	0.1
64.02360	0.1
64.81013	0.1
69.35429	0.1
71.01385	0.2
80.96524	0.1
82.21375	0.1
87.00894	0.1
89.02441	0.1
98.19788	0.1
101.02452	0.1
148.78336	0.1
183.13809	0.1
211.13394	0.9
211.15376	0.1
277.21722	0.5
293.21341	0.2
294.21564	0.1
295.21921	0.1
303.05103	0.1
363.46103	0.1
379.12552	0.1
397.13577	0.4
409.52631	0.1
593.51239	0.1
869.47766	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98532	0.2
63.83168	0.1
70.07342	0.2
70.07744	0.3
70.51873	0.1
77.58114	0.1
78.06304	0.1
80.96515	0.1
90.87585	0.1
98.20049	0.1
122.54945	0.1
174.56009	0.1
201.61394	0.1
277.21732	0.1
278.05359	0.1
278.31619	0.1
409.33551	0.1
869.47455	0.2
888.91296	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	871.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02393	1.1
63.85120	0.2
65.00336	0.5
67.01884	0.4
68.99804	0.3
69.61615	0.9
71.01382	5.0
72.99307	1.4
73.02946	0.6
75.00867	2.7
83.01388	0.5
85.02953	13.4
87.00877	1.8
89.02454	1.1
93.03471	0.4
95.00827	0.3
95.01391	3.7
96.95998	0.7
99.00880	4.5
103.00363	2.0
107.01389	1.5
111.00883	0.5
112.45837	0.2
113.02450	25.1
114.02777	0.5
115.00373	1.1
117.01949	1.8
117.03461	3.7
119.05029	0.3
129.01938	0.9
135.04539	0.2
147.02966	0.2
149.02438	1.2
149.56473	0.2
151.00346	1.5
152.01056	0.2
157.01392	0.5
159.04524	1.3
161.02423	0.6
169.06606	0.4
173.04510	0.3
175.02470	14.7
176.02789	0.3
181.06602	0.3
183.04514	0.7
184.76343	0.2
196.05254	0.3
197.06087	0.8
199.03941	0.2
201.05577	0.7
201.89001	0.2
204.05380	0.2
225.05566	1.6
227.03525	0.5
269.04544	100.0
270.04895	7.7
311.05472	0.2
361.08670	0.2
425.09467	0.2
445.07748	35.3
446.08011	3.7
540.26184	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	10.0
69.03452	0.9
69.54777	4.6
69.55188	1.5
71.01381	17.8
72.99304	1.8
73.02937	3.4
80.96510	1.3
83.01370	2.2
85.02980	3.9
87.00873	5.4
88.47713	0.7
89.01929	1.3
89.02444	15.4
95.01362	1.2
97.02956	2.8
97.53185	0.8
99.00884	1.6
99.04472	1.0
101.02444	15.0
113.02457	8.4
116.88834	0.8
119.03481	3.6
121.02945	0.9
125.02444	6.7
125.09686	1.2
127.11256	2.0
143.03479	2.8
161.04521	4.2
171.10265	100.0
171.24954	1.0
172.10571	3.3
179.05597	3.9
195.14044	0.9
199.06104	1.0
217.07191	1.7
221.06668	1.6
235.08182	6.4
237.60240	0.7
253.09248	2.0
255.23283	73.6
256.23676	5.1
259.08194	1.2
287.07666	2.3
293.21167	3.1
295.22662	3.4
305.08664	2.9
323.09695	1.6
379.12448	21.4
397.13474	43.3
398.13699	2.9
415.14627	6.2
551.23608	5.0
552.23541	1.2
569.24384	3.1
635.36548	5.7
653.37537	5.7
807.46704	1.4
867.48108	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	867.423
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77035	0.2
69.03456	0.5
71.01012	0.4
71.01382	6.2
71.52482	0.5
72.99277	0.6
73.02946	1.0
80.02665	1.6
80.40956	0.2
81.03457	1.7
83.01400	0.8
83.05032	4.8
84.02168	0.7
85.02953	1.5
87.00889	2.3
89.02441	7.6
91.04028	0.3
95.01357	0.5
95.04996	0.8
97.02941	0.7
99.00858	0.5
101.02439	5.3
110.23689	0.2
113.02444	3.0
119.03484	1.6
125.02460	2.8
125.06063	0.6
135.08151	0.8
139.03957	0.3
143.03485	0.9
143.04500	0.3
144.39481	0.3
161.04564	1.9
163.11282	3.9
165.12816	2.0
179.05586	2.0
181.12343	0.5
191.10794	0.9
199.13452	0.4
209.11816	100.0
210.12144	5.5
221.06725	0.7
227.12874	16.5
228.13248	1.0
235.08266	2.5
247.13354	0.4
251.12770	0.7
287.07791	0.8
288.97293	0.3
305.08752	1.1
323.09933	0.8
379.12457	3.7
397.13483	21.5
398.13730	1.6
415.14621	5.2
416.14960	0.5
589.24713	1.4
607.26324	3.0
799.37354	0.8
817.38696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	25.0
69.03445	1.3
70.03641	0.8
70.38662	2.5
71.01383	19.2
72.99312	2.6
73.02956	4.2
79.25822	0.9
80.02682	1.4
81.03459	2.2
83.01399	2.7
83.05020	6.4
84.02159	1.4
85.02955	4.8
87.00872	4.5
89.02452	13.5
95.01395	2.0
95.05054	0.9
96.30260	1.0
97.02946	3.1
99.00900	2.1
101.02446	13.6
111.08165	2.2
113.02464	6.1
119.03500	3.5
121.02972	1.2
125.02438	5.5
143.03493	1.4
161.04547	2.4
163.11301	4.5
165.12842	9.5
175.02516	1.1
181.12329	1.7
183.13899	51.0
184.14217	2.8
191.10757	1.3
209.11824	78.8
210.12216	5.7
211.13377	2.5
221.06630	2.9
225.11234	1.6
227.12894	8.6
235.08154	1.0
397.13544	5.9
415.14648	1.5
607.25739	1.0
608.14478	0.9
817.39398	1.5
835.39734	100.0
836.40082	16.6
867.42487	14.7
868.42114	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	866.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98548	0.2
69.68747	0.2
69.69157	0.4
70.52775	0.1
71.01395	0.3
74.62176	0.1
89.02472	0.1
90.68806	0.1
101.02457	0.1
114.33067	0.1
125.02441	0.2
130.08800	0.3
137.02438	0.1
149.17307	0.1
171.10338	0.2
209.11932	0.4
211.13391	0.9
212.13805	0.2
215.64873	0.1
273.17200	0.2
274.17422	0.2
290.52673	0.1
290.57181	0.2
322.20352	0.4
397.13727	0.3
867.41150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.73921	0.3
70.74258	0.3
71.01381	0.4
89.02435	0.3
90.77963	0.2
96.96014	0.7
101.02450	0.2
116.92857	0.2
125.02468	0.3
138.78378	0.2
141.52623	0.2
153.33226	0.2
209.11900	0.6
210.12126	0.2
211.13408	1.6
212.13724	0.9
213.13939	0.2
257.16214	0.1
399.14215	0.2
455.56061	0.2
533.67651	0.2
547.33313	0.2
611.52325	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42069	0.3
63.02402	0.3
65.00322	0.9
68.17604	0.2
68.99844	0.3
69.27470	1.5
69.27874	0.7
71.01392	2.2
72.99308	0.3
75.00871	0.9
85.02946	2.6
87.00885	0.6
89.02457	0.4
95.01400	0.8
99.00874	1.3
101.01359	0.3
107.01384	0.9
109.02923	0.5
113.02459	1.9
115.00378	0.6
121.02973	0.3
125.02456	0.6
129.01939	0.5
133.02946	4.4
149.02400	1.3
151.00357	3.0
152.00645	0.3
163.03795	0.4
171.04602	0.3
173.04442	0.4
175.02650	0.5
175.03987	2.1
177.01915	0.3
185.06070	0.5
189.05383	0.4
199.03986	1.8
200.04163	0.3
201.01967	0.7
201.87936	0.3
213.05484	0.6
217.05037	1.1
241.02866	0.3
241.05159	0.9
243.03058	0.6
284.03339	0.4
285.04041	100.0
286.04373	10.1
287.04630	0.9
327.05118	1.1
355.04932	0.4
357.06049	0.9
403.11465	0.5
461.07248	58.9
462.07590	6.9
462.13742	0.5
463.07733	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	865.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	28.6
71.01390	25.4
71.51303	9.0
74.37340	9.4
85.91166	10.6
89.02440	28.2
101.02411	13.3
113.02459	16.3
118.08799	9.6
119.03527	13.3
125.02473	13.0
161.04536	12.8
171.10295	100.0
179.05611	9.0
182.06816	8.2
186.72443	8.2
209.11827	63.6
210.12245	25.5
235.08270	13.0
255.23187	25.0
256.23642	10.8
277.21634	68.1
281.17749	8.7
379.12451	25.0
397.13382	65.8
569.24530	11.7
688.17078	9.4
865.43542	77.0
866.45544	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	865.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05245	0.3
62.15996	0.3
65.00332	0.4
65.03961	0.4
67.01876	0.4
69.03472	0.4
69.56126	1.3
69.56547	1.0
81.03455	1.6
83.01392	3.6
89.03970	0.6
90.44443	0.4
91.01861	0.4
93.03459	1.3
95.01428	0.6
95.05034	1.2
97.02962	1.9
98.20578	0.7
105.03462	0.8
105.53806	0.3
107.05031	2.3
108.02200	0.4
109.02953	11.5
113.72089	0.3
117.03432	0.6
119.05042	0.8
121.02953	2.7
122.03740	0.9
123.00923	0.7
123.04527	8.3
125.02450	100.0
126.02798	2.6
131.05054	1.1
133.02956	5.0
133.06635	0.4
135.00888	0.6
135.04517	1.9
137.02446	13.1
139.04013	1.7
143.05046	0.6
145.02945	1.0
146.03783	0.6
147.04514	0.9
149.02440	4.0
149.06059	0.9
150.03241	1.2
150.11732	0.3
151.04007	13.6
152.04335	0.7
155.05095	0.4
159.04549	2.7
160.01601	0.5
161.02443	33.6
161.06029	2.3
162.03130	2.2
163.00401	2.7
163.04007	4.5
164.01154	6.3
165.01942	5.6
167.03526	1.3
171.04518	0.6
172.05270	0.4
173.02475	0.4
173.04655	0.4
173.06073	1.1
174.03091	0.7
175.04005	14.3
175.07616	0.9
176.01186	0.8
176.04263	0.5
177.01939	10.7
177.05524	1.0
178.02632	0.7
179.03522	2.1
183.04485	0.6
185.06148	0.7
187.04012	5.0
188.04797	1.5
189.01918	1.8
189.05592	0.9
190.02669	0.6
191.03467	0.8
193.05098	1.2
197.05974	0.4
199.04021	3.9
201.01895	1.0
201.05595	2.3
202.06259	0.8
203.03476	2.8
203.07152	4.1
205.01459	1.7
205.05017	4.4
211.04025	1.3
212.04897	0.6
213.05521	1.1
214.02800	0.7
215.03505	1.1
217.01520	0.5
217.05022	5.8
219.02992	3.2
219.06607	0.8
221.08162	0.8
225.05592	1.0
227.03517	1.4
227.07224	1.0
228.04314	1.1
229.05026	2.0
230.05711	0.5
231.03053	1.8
231.06470	0.5
241.05188	0.7
243.00444	0.8
243.02968	17.3
243.06700	1.4
244.03532	1.6
245.04567	11.9
245.08197	5.9
246.04875	0.6
247.06190	1.0
253.05025	1.2
255.02997	6.5
255.06068	0.4
255.06769	0.4
256.03735	2.7
257.04462	1.7
261.04019	5.7
267.03049	0.7
269.04532	3.2
273.03983	1.9
279.03012	0.5
281.04648	2.4
282.01700	1.1
282.05020	0.5
283.02570	1.7
284.03299	0.4
285.04068	2.3
285.07132	0.6
287.05624	26.5
288.03137	0.5
288.05795	1.8
289.07184	21.2
290.07529	1.5
293.04510	0.4
297.04135	0.9
297.07480	0.7
299.05591	4.5
300.05991	0.5
311.05734	0.7
315.08835	0.9
319.05753	0.4
323.63358	0.4
327.05252	0.5
329.06458	0.9
339.08755	2.3
341.06610	2.0
347.05692	0.5
363.05005	0.9
369.09698	0.6
379.08295	0.6
381.05966	0.6
381.10126	0.8
387.05270	1.0
389.06912	0.5
391.04608	0.5
405.06055	4.4
407.07697	19.4
408.08044	2.0
410.09903	0.4
413.08804	7.0
414.09189	0.8
423.07104	3.3
424.07843	0.4
425.08789	11.2
426.09265	1.4
435.07428	0.8
449.08640	5.9
450.09238	0.5
451.10382	7.6
452.10922	0.8
467.10114	0.8
525.08557	1.4
533.10498	0.9
534.16016	0.4
543.09216	3.8
544.09161	0.4
557.11285	0.5
559.12695	1.2
561.10376	1.9
569.10858	1.3
575.12018	6.3
576.12201	0.5
577.13470	12.5
578.14099	2.0
587.11761	3.9
601.33679	0.4
616.11591	0.4
677.13226	0.9
695.13818	6.9
696.14740	1.8
713.15314	3.5
714.15668	0.7
739.16003	1.6
773.12549	0.4
865.19733	2.8
866.20203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	7.9
69.03413	0.8
70.77996	1.4
71.01379	17.9
72.99297	1.3
73.02943	3.2
75.00851	0.7
83.01366	1.5
84.45841	0.6
85.02946	4.5
85.44772	0.6
87.00884	3.6
89.02448	12.5
95.01385	1.4
97.02930	1.9
99.00859	1.0
101.02435	12.3
111.08141	1.0
113.02443	4.2
116.92835	1.3
119.03491	2.8
125.02430	3.6
141.97243	0.7
143.03452	1.4
161.04536	1.1
165.12866	5.6
179.05569	1.4
183.13893	39.1
184.14159	2.2
209.11838	5.6
221.06572	1.9
227.12857	2.8
235.08206	1.7
255.23280	54.1
256.23694	4.5
337.62350	0.6
379.12354	1.7
397.13474	8.8
415.14600	1.4
483.41241	0.6
625.27386	0.8
786.76178	0.7
845.48322	0.8
863.50037	100.0
864.50439	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	863.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	0.5
67.01891	0.2
68.99800	0.3
69.03456	0.9
71.01382	16.1
71.05009	0.2
72.99306	1.5
73.02958	2.4
75.00880	0.4
80.02676	1.1
81.03461	2.1
83.01390	1.6
83.04514	0.3
83.05025	4.9
84.02174	0.9
85.02951	4.0
87.00878	3.8
87.04523	0.2
89.02445	13.7
91.04018	0.3
93.00546	0.2
93.03478	0.2
95.01389	1.4
95.05038	0.5
97.02939	2.6
98.20766	0.4
99.00896	1.0
99.04509	0.2
101.02441	12.6
102.02769	0.3
109.02935	0.4
109.06581	0.3
111.00895	0.4
111.04507	0.4
113.02451	6.7
115.03971	0.3
119.03503	3.8
121.02943	0.4
123.00883	0.2
125.02441	6.6
125.06100	0.5
127.04049	0.2
130.43532	0.2
131.03496	0.7
135.08186	0.6
136.89229	0.3
139.03975	0.4
141.01897	0.5
143.03494	2.7
145.05121	0.2
147.11800	0.4
149.02597	0.2
149.04555	0.5
161.04568	3.4
163.11285	3.8
165.12834	2.3
167.03511	0.5
167.84499	0.2
169.04993	0.2
179.05615	3.6
181.12376	0.6
191.10780	0.8
199.06131	0.6
199.13411	0.5
203.05582	0.2
206.09979	0.2
209.11816	100.0
210.12164	6.1
217.07057	1.0
221.06674	1.3
227.12878	14.1
228.13202	0.9
235.08211	5.2
251.12880	0.4
253.09331	0.7
255.23282	56.1
256.23602	4.2
259.08243	0.5
263.07709	0.4
269.24930	0.5
287.07687	2.0
297.24203	0.2
298.20029	0.2
305.08804	2.1
323.09915	1.3
361.11484	0.5
379.12427	8.7
380.12738	0.7
397.13486	39.8
398.13828	3.0
405.54718	0.2
415.08963	0.4
415.14539	8.3
416.14996	0.6
416.90363	0.2
488.37152	0.2
589.24872	0.7
590.25354	0.3
607.25806	1.0
608.26862	0.2
635.36511	0.7
653.37439	2.0
763.92517	0.2
863.49945	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	0.7
68.99818	0.2
69.03446	0.8
69.88592	0.2
71.01381	12.7
71.05025	0.2
71.51402	0.2
72.01760	0.2
72.99322	1.2
73.02946	2.1
75.00878	0.2
80.02678	1.3
81.03455	1.9
83.01397	1.6
83.04521	0.2
83.05027	5.2
84.02173	0.8
85.02952	3.1
87.00877	2.9
89.02443	11.1
91.04020	0.3
93.03477	0.3
95.01361	1.0
95.05020	0.8
97.02945	2.3
99.00890	0.7
99.04546	0.2
101.02438	10.2
102.02775	0.2
107.05027	0.2
109.06579	0.3
111.00909	0.3
111.04516	0.4
113.02450	6.4
116.92814	0.2
119.03504	2.9
121.02960	0.3
123.04549	0.2
125.02446	5.2
125.06069	0.5
127.04034	0.2
131.03471	0.7
133.05099	0.3
135.08160	0.8
139.04027	0.5
139.07678	0.1
141.01990	0.2
143.03508	2.1
149.04523	0.4
161.04559	3.0
163.11287	4.1
164.11630	0.2
165.12842	2.6
165.94250	0.2
167.03535	0.4
179.03343	0.2
179.05608	3.7
181.05019	0.2
181.12320	0.5
185.04482	0.2
191.10789	0.9
199.06087	0.4
199.13499	0.3
206.87462	0.1
209.11819	100.0
210.12160	5.3
217.07161	0.7
219.05051	0.2
221.06641	1.8
227.12878	11.6
228.13194	0.8
229.14601	0.2
235.08224	4.0
236.08559	0.3
245.06697	0.3
251.12848	0.8
253.09253	0.5
255.23282	42.4
256.23624	3.1
259.08182	0.5
263.07715	0.4
269.06516	0.2
269.24872	0.3
287.07700	2.0
301.09549	0.2
305.08862	1.5
323.09903	0.8
361.11255	0.2
379.12439	8.3
380.12766	0.6
397.13501	31.4
398.13803	2.5
415.14575	6.8
416.14935	0.6
589.24921	1.2
607.26105	1.9
608.26532	0.3
635.36969	0.3
653.37341	0.9
729.56219	0.2
816.02173	0.2
863.49774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96238	2.5
64.97017	0.8
71.01081	0.8
71.01387	8.9
71.51814	1.2
72.50649	0.9
73.02953	1.5
77.16678	0.9
78.95921	0.9
78.98590	7.0
79.95733	18.1
80.96517	80.9
81.96432	0.9
82.96123	1.5
85.02951	3.5
87.00868	2.5
94.98090	17.7
96.96012	2.1
97.02932	1.2
101.02439	3.1
106.98094	2.7
122.97574	3.6
125.02410	3.5
127.03967	1.2
134.97610	5.0
136.99112	1.7
148.99136	5.8
152.98624	6.5
160.47972	0.9
164.98642	13.3
167.00226	0.9
206.99649	3.6
209.51440	0.8
225.00725	21.2
255.23260	1.6
283.04846	1.5
319.73929	0.9
494.36929	1.0
517.84180	1.0
537.27606	1.4
607.23663	1.0
726.43585	1.0
765.41931	2.2
811.21735	1.3
863.48218	100.0
864.48737	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99307	0.5
61.98834	2.8
67.01875	0.3
69.03436	0.8
69.46358	2.4
71.01015	0.5
71.01385	8.7
72.99300	0.9
73.02951	1.2
75.00882	1.1
78.95876	0.4
81.03496	0.5
83.01387	1.2
83.05054	0.4
85.02960	2.2
87.00874	2.7
88.98803	2.6
89.02447	7.9
95.01405	0.7
97.02943	1.2
98.19912	0.7
99.00861	0.8
101.02439	8.1
113.02458	4.1
116.92842	0.4
119.03511	1.9
121.02946	0.4
125.02460	3.2
131.03535	0.4
139.03932	0.3
141.01976	0.4
143.03502	1.1
155.10699	0.4
161.04575	1.8
165.12846	0.5
167.10811	0.4
167.14334	0.6
171.10268	1.4
172.10658	0.5
174.24577	0.4
179.05603	2.1
183.13896	7.0
184.14307	0.3
193.12381	1.9
209.11819	1.1
211.13388	100.0
212.13704	4.4
217.07225	0.4
221.06639	0.7
235.08241	2.4
253.09297	0.4
259.08200	0.5
287.07739	0.9
305.08771	0.8
309.20840	1.3
310.21014	0.8
313.16473	0.3
323.09753	0.8
341.11005	0.4
379.12500	5.9
397.13498	19.5
398.13791	1.6
405.26740	0.5
415.14590	3.9
591.26599	10.4
592.27118	1.5
609.27673	10.9
610.27948	1.4
729.38580	0.4
785.39355	2.3
786.41064	0.5
803.41101	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	861.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
64.05174	0.4
69.29211	2.7
71.01384	2.1
72.97684	0.3
73.02943	0.9
74.02472	0.4
81.53499	0.3
85.02988	0.5
89.02468	0.9
93.03455	0.9
98.20757	0.5
99.00870	1.7
99.05640	0.5
101.02423	0.6
113.02453	0.7
117.03493	0.4
119.05025	93.5
120.05360	2.5
121.02983	0.3
125.02438	0.6
128.03545	1.2
133.06517	0.4
137.02499	0.3
143.04593	1.6
160.00783	0.4
161.06084	0.8
163.04007	61.3
164.04327	2.6
173.04564	1.4
205.05046	1.2
208.89632	0.4
272.08844	0.7
306.07684	4.2
317.93661	0.3
325.09058	0.6
396.94965	0.4
404.15048	0.6
457.13489	100.0
458.13818	9.9
552.52960	0.3
572.78888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	2.8
62.15649	1.1
67.67435	1.1
71.01401	2.0
78.95849	1.2
98.20585	1.3
99.92584	12.0
116.92863	100.0
117.01932	4.0
117.92878	6.0
158.26852	1.4
196.89407	1.4
199.13426	7.2
253.09256	3.6
277.21805	3.9
293.21201	6.7
293.66342	1.4
295.22644	1.6
309.20712	4.8
397.13602	2.3
857.48022	9.1
858.47333	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	859.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.9
70.67271	0.7
88.98742	0.3
92.73382	0.3
99.92583	2.9
116.92865	1.0
119.96893	0.3
132.90031	0.7
133.01425	0.4
133.05067	0.4
134.89473	100.0
135.02988	0.4
135.89484	4.7
141.25682	0.3
165.04024	0.3
214.06877	0.4
295.98871	0.3
369.74948	0.3
750.63135	0.4
854.95361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68864	0.2
60.84650	0.2
61.98818	0.9
64.95623	0.2
67.34263	0.2
71.51669	0.3
75.00900	0.2
76.60683	0.2
99.92580	2.7
106.58873	0.2
116.92863	1.4
126.03281	0.2
132.90048	0.4
134.89474	100.0
135.89478	4.9
135.92116	0.2
644.54260	0.2
743.28198	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	0.2
71.53112	0.1
73.02945	1.2
74.54892	0.1
75.88255	0.1
78.64555	0.1
88.98798	0.1
99.00854	0.1
99.92582	11.4
100.92594	0.6
114.93423	0.6
116.92859	100.0
116.97157	0.6
117.01929	1.9
117.92863	4.7
137.59402	0.1
155.36841	0.1
171.10306	0.1
209.11823	0.2
514.57446	0.1
664.80487	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	857.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	0.1
63.85425	0.1
67.33917	0.1
69.44780	0.1
70.65765	0.1
70.68098	0.1
73.02947	1.0
99.00874	0.2
99.92583	11.0
100.92606	0.5
114.93444	0.5
116.92860	100.0
117.01936	1.5
117.92869	4.6
131.91600	0.1
134.89476	0.6
209.11823	0.2
342.24667	0.1
436.22433	0.1
463.24747	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	857.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
68.19477	0.5
69.55914	1.9
69.56335	1.0
81.54987	0.4
102.35577	0.4
107.01382	1.0
109.02925	1.0
121.03005	0.4
125.02425	1.2
133.02971	0.7
151.00352	3.4
169.01430	0.7
171.04594	0.9
173.04642	0.6
175.03996	0.6
178.99846	1.0
187.04001	0.5
193.04993	0.8
196.51790	0.5
199.04004	3.2
201.01999	1.2
215.03490	1.1
226.02798	0.7
227.03442	2.9
243.02980	4.4
244.03696	0.5
255.02959	2.0
271.02463	48.9
272.02847	3.5
299.01953	100.0
300.02573	15.2
301.03497	6.6
462.08035	19.6
463.08438	2.9
500.43909	0.5
559.42993	0.5
651.15643	7.8
652.16284	0.8
771.19666	1.0
813.20935	47.7
814.21313	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	857.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
68.19477	0.5
69.55914	1.9
69.56335	1.0
81.54987	0.4
102.35577	0.4
107.01382	1.0
109.02925	1.0
121.03005	0.4
125.02425	1.2
133.02971	0.7
151.00352	3.4
169.01430	0.7
171.04594	0.9
173.04642	0.6
175.03996	0.6
178.99846	1.0
187.04001	0.5
193.04993	0.8
196.51790	0.5
199.04004	3.2
201.01999	1.2
215.03490	1.1
226.02798	0.7
227.03442	2.9
243.02980	4.4
244.03696	0.5
255.02959	2.0
271.02463	48.9
272.02847	3.5
299.01953	100.0
300.02573	15.2
301.03497	6.6
462.08035	19.6
463.08438	2.9
500.43909	0.5
559.42993	0.5
651.15643	7.8
652.16284	0.8
771.19666	1.0
813.20935	47.7
814.21313	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	855.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	2.8
69.03462	2.8
71.01381	7.8
73.02914	1.4
76.14914	0.5
78.95843	0.7
79.95703	1.0
80.96494	0.6
81.03412	0.7
83.01342	0.7
83.05016	1.2
85.02950	8.5
87.00842	1.6
89.02446	4.9
91.03956	0.5
95.01369	0.9
95.04974	0.8
96.96014	10.8
97.02950	4.2
97.06597	3.8
99.00846	1.0
99.92546	0.6
101.02438	6.5
111.08167	4.8
111.65076	0.5
113.02457	3.2
116.92835	1.9
119.03447	1.5
123.08092	0.7
125.02402	1.2
125.09668	1.9
127.07607	0.7
127.11240	1.8
137.09769	2.8
141.09085	0.5
145.05031	0.7
153.09079	0.6
153.12817	0.8
155.10756	1.1
155.14496	0.6
161.04521	4.0
163.11192	1.5
165.12875	3.7
167.10661	1.0
167.14380	0.6
169.12289	2.0
171.10268	24.5
172.10649	1.3
175.87996	0.5
177.12730	0.9
179.05548	1.1
181.12297	1.5
183.13870	2.6
185.11761	1.3
193.12247	1.6
193.16089	0.6
195.13911	0.6
197.11829	23.2
198.12143	1.0
199.13361	1.1
201.11261	1.6
209.11824	5.4
211.13390	19.3
212.13701	0.9
221.11880	3.0
225.11359	0.5
227.12863	2.7
229.14430	11.5
229.17809	0.6
235.08211	8.5
239.12828	1.9
247.20810	2.5
253.09282	39.0
253.57303	0.5
254.09599	1.2
263.20084	1.4
273.18497	1.9
291.19650	29.3
292.20041	1.9
293.21182	0.7
309.20694	89.7
310.21051	7.0
327.21750	100.0
328.22095	7.3
527.28284	0.6
545.29535	7.8
546.29901	1.0
563.30701	7.8
564.31207	1.0
619.41858	5.2
620.42798	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	4.3
70.89832	2.7
70.90187	1.8
71.01379	13.4
73.02940	3.4
75.02287	1.2
83.01391	1.4
83.05016	2.6
85.02936	3.5
87.00890	2.6
89.02441	13.3
94.98102	1.3
95.34119	1.3
96.96035	1.4
97.02932	2.5
101.02447	12.9
113.02419	5.5
116.92873	3.4
119.03502	3.6
125.02471	7.0
143.03542	2.8
157.53575	1.3
161.04520	2.8
163.11273	1.7
165.12756	1.5
171.10260	2.0
179.05592	4.8
183.13858	5.7
209.11812	100.0
210.12158	5.1
211.13383	95.6
211.15463	2.9
212.13689	5.5
221.06613	1.9
227.12874	33.9
235.08165	5.1
235.51564	1.4
239.23405	1.2
244.25571	1.3
287.07654	3.2
305.08682	2.2
323.09708	3.1
379.12399	16.0
397.13492	63.0
398.13550	4.9
415.14661	13.1
589.24884	5.5
591.26489	16.4
592.27295	2.7
607.26050	8.2
609.27502	23.3
610.27533	2.1
661.12024	1.5
783.37500	3.0
801.39056	11.0
802.38892	2.0
819.39459	2.7
855.37756	55.0
856.38287	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	855.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
66.29272	1.6
69.44463	1.5
69.57484	10.6
71.01374	6.6
85.02951	2.8
87.00861	6.8
89.02448	4.1
93.67505	1.5
94.43808	1.8
98.19946	3.4
108.04559	3.7
110.06089	2.8
119.05027	3.2
121.05323	4.1
122.06118	16.9
123.04376	1.7
125.02436	2.2
134.06123	22.7
135.04488	2.4
135.06851	5.0
136.07655	5.8
137.02477	2.1
137.04782	2.5
138.05656	2.8
140.07175	30.9
144.04530	3.3
146.06090	3.8
148.07707	1.6
149.04802	9.9
150.05545	6.9
152.07152	5.6
160.04121	2.7
161.04808	8.5
162.05605	23.7
163.06329	2.0
164.03499	4.5
164.07156	15.0
166.05086	5.4
167.05856	3.2
168.06665	1.8
172.04033	5.2
173.04539	6.3
174.05588	6.0
176.07239	2.2
179.03455	3.4
188.03371	2.3
190.05061	3.4
191.05635	3.5
204.06599	10.5
209.10721	1.8
211.08742	3.8
212.05922	16.8
223.08533	2.3
224.09363	2.7
225.06616	7.0
225.10129	2.8
227.11958	4.1
228.12563	3.5
229.09781	5.8
237.06364	2.0
237.10309	11.9
238.07474	5.8
239.08228	19.3
239.11836	2.3
240.09021	6.3
241.09760	2.5
251.08182	3.6
251.11839	5.0
252.05496	1.8
252.08961	5.4
252.10165	5.7
252.12457	12.4
253.06175	20.6
253.09828	27.8
254.10533	4.6
255.11319	9.9
257.09293	12.8
258.81900	1.9
259.11075	2.2
261.12283	9.2
265.06250	5.2
265.09756	2.7
266.07062	11.1
266.09680	1.8
267.07690	27.0
267.11322	14.8
268.08685	12.6
268.11954	14.0
269.08798	2.5
269.12805	3.5
270.09995	4.1
271.10788	2.4
273.12576	3.9
275.14090	3.8
277.09744	2.1
279.07718	10.0
279.11108	3.5
280.08514	30.2
281.09335	41.1
282.09766	3.6
283.10922	10.9
285.03961	7.6
285.08801	7.8
285.12393	21.7
293.09338	2.0
294.10074	2.3
295.10873	100.0
296.11639	46.0
297.12408	20.9
298.09506	2.7
299.10410	10.9
300.11002	5.5
301.11884	4.1
302.12662	2.7
303.13483	64.7
304.13779	6.0
311.10394	3.6
313.11923	6.6
321.08951	1.9
327.09869	3.5
327.13486	25.3
328.10556	2.6
339.09894	15.9
340.10522	6.5
341.11203	4.4
351.12265	2.5
353.08633	3.4
371.12494	16.3
372.13318	2.9
373.14038	5.0
390.14560	7.5
404.16171	6.3
406.13913	4.2
407.14798	5.1
420.15521	5.0
434.13000	3.7
435.17755	5.1
436.18634	3.2
438.16403	2.6
439.17426	3.7
447.09244	4.9
448.15002	3.6
452.18237	1.8
465.18622	11.0
466.16217	7.1
467.16071	2.7
479.16907	4.6
480.17740	5.7
481.18362	2.2
483.19849	4.9
511.19647	6.3
512.20380	3.6
601.23041	17.4
633.25580	42.8
634.25690	11.0
709.48682	2.0
761.29797	3.3
805.29376	37.8
806.29382	6.3
823.30457	60.1
824.30713	14.5
837.15845	3.4
837.31995	75.8
838.32281	12.8
855.33008	98.3
856.33862	19.2
876.35437	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	855.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35367	11.7
71.01376	5.6
76.81129	1.7
85.02962	5.4
85.08060	2.1
89.02480	1.7
101.02458	2.6
109.02984	1.8
113.02426	2.3
113.90257	1.9
119.05039	13.3
122.06126	8.9
123.74441	2.0
125.02437	2.6
133.02975	4.3
134.06119	10.3
135.06972	2.9
136.07657	3.8
137.02437	3.3
140.07173	12.5
144.04553	2.6
149.04778	4.3
150.05573	3.0
151.00294	3.2
152.07050	1.8
160.04102	3.1
161.04794	6.8
162.05605	8.2
163.04041	23.8
163.06317	4.2
164.07211	3.9
167.05905	2.1
172.04088	2.9
173.04533	5.1
176.07242	2.0
185.11833	2.9
191.05661	7.3
204.06612	5.4
207.10138	2.8
211.08745	4.0
212.05878	17.3
212.09328	2.1
213.10132	2.6
217.05069	2.0
225.06642	5.0
225.10318	2.2
227.11899	2.7
229.09857	2.2
237.10303	11.1
239.08241	15.6
240.09007	5.8
241.09773	2.7
251.08232	4.3
251.11855	2.6
252.08981	6.1
252.12688	8.3
253.06267	11.8
253.09810	14.5
253.12134	2.2
254.10414	3.6
255.11356	9.9
257.09354	4.2
261.12323	3.5
265.06046	2.4
266.06921	6.6
267.07718	25.2
267.11353	9.7
268.08472	9.8
268.12009	9.0
271.10764	2.5
273.12543	2.6
279.07700	5.9
279.11258	2.8
280.08475	16.1
281.09317	32.3
282.09833	3.6
283.07211	2.7
283.10916	9.1
285.04044	76.9
285.08948	5.3
285.12448	9.9
286.04282	9.3
295.10880	48.4
296.11603	39.7
297.12408	11.8
298.09616	2.2
299.10382	9.9
300.11053	5.3
303.13565	19.5
311.10272	3.7
313.11856	5.7
327.13516	12.9
328.13940	2.9
337.09100	15.4
339.09775	7.6
340.10455	5.8
341.11511	5.2
343.13016	2.5
371.12540	5.5
372.13120	2.9
373.14264	6.0
390.14597	7.6
394.17978	2.2
404.15964	2.2
406.13730	4.7
407.14713	3.4
420.15768	4.0
434.13303	4.2
435.17999	2.9
436.18823	2.8
438.16858	4.5
448.15210	2.5
452.18124	2.4
461.07291	43.8
462.07587	6.2
463.08069	2.2
466.16260	7.4
479.16916	2.6
480.17963	4.3
511.19501	8.4
512.20093	3.1
533.12946	4.5
633.25671	37.2
634.25836	7.0
748.65387	2.1
805.29175	4.7
823.30579	5.9
837.32092	82.9
838.32391	21.5
855.33044	100.0
856.33484	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	855.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64785	0.5
67.01896	0.5
68.99818	1.0
70.52505	1.1
71.01376	7.7
72.99292	2.0
74.99400	0.4
75.00867	2.0
75.52353	0.4
77.12688	0.4
83.01382	3.3
84.02163	2.8
85.02948	100.0
86.03297	1.5
87.00891	1.4
89.02440	2.0
90.61661	0.4
93.03473	3.1
101.02405	0.9
103.00353	1.6
111.00883	5.4
115.00342	1.2
118.66897	0.4
119.05034	6.4
125.02383	0.5
129.01097	0.8
129.01958	8.5
133.01418	3.0
134.03737	0.8
137.02489	0.6
145.10350	0.5
147.02988	11.6
155.03543	0.7
163.03987	5.0
164.04263	0.4
173.00928	2.1
173.04539	10.9
174.04858	1.0
191.01970	58.4
192.02271	2.1
209.03018	95.1
210.03366	2.4
237.91209	0.5
325.09256	1.2
337.05630	1.3
355.06665	37.3
356.07147	2.6
381.46140	0.5
461.77777	0.5
499.14841	4.6
500.14841	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
62.71444	0.2
69.03470	0.5
69.32343	0.8
69.32765	1.1
71.01385	8.6
72.99313	0.8
73.02949	1.3
80.02695	1.1
81.03448	1.7
83.01392	0.9
83.05028	5.7
84.02172	0.9
85.02956	2.2
87.00868	2.4
87.04494	0.3
89.02444	7.7
93.03471	0.7
95.01413	0.5
95.05022	0.5
97.02940	1.4
97.06635	0.4
98.20747	0.3
99.00896	0.7
101.02446	7.1
109.02940	0.3
109.06585	0.3
109.73273	0.2
111.00910	0.3
111.04552	0.3
113.01706	0.5
113.02454	3.9
117.79147	0.3
119.03506	2.3
119.05013	0.7
125.02451	3.4
125.06111	0.8
125.09727	1.6
127.11295	2.0
129.02000	0.4
135.08174	0.7
139.04010	0.3
143.03520	1.1
146.04584	0.3
147.11803	0.4
151.00467	0.3
155.10802	1.0
161.04590	1.9
163.04082	0.5
163.11287	3.9
165.09184	0.5
165.12860	2.3
167.03482	0.5
171.10281	1.0
173.04568	0.8
179.05605	2.2
181.12306	0.8
191.10799	1.2
199.06100	0.3
199.09842	0.6
201.11325	38.8
202.11684	1.9
209.11824	100.0
210.10320	0.5
210.12164	6.0
217.07230	0.3
221.06636	0.9
227.12880	16.5
228.13260	0.6
235.08218	3.1
253.09200	0.4
259.08118	0.3
287.07663	0.9
305.08810	0.8
309.53638	0.3
323.09900	0.8
375.21732	0.5
379.12457	3.8
393.22891	0.4
397.13498	26.2
398.13876	1.8
415.14563	7.0
416.14999	0.5
450.92743	0.3
581.24481	1.8
589.25061	1.4
599.25531	1.5
607.26068	3.7
608.26691	0.4
609.64429	0.3
679.35309	0.4
773.35315	0.8
791.36902	0.6
799.37091	0.4
817.38245	0.3
856.30396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68914	0.2
63.02394	0.6
65.00319	0.7
69.54408	1.2
71.01385	2.4
72.99316	0.6
73.02939	0.3
75.00862	0.6
75.62518	0.3
83.01400	0.5
85.02954	2.6
87.00874	1.0
89.02406	0.6
92.50823	0.2
95.01389	0.9
99.00874	1.4
103.00387	0.3
103.75786	0.3
105.03436	0.2
107.01376	1.1
109.02943	0.7
113.02472	2.3
115.00367	0.4
117.01940	0.4
121.02958	0.6
129.01891	0.3
133.02948	5.1
133.97993	0.2
134.03246	0.4
149.02425	1.1
151.00377	3.6
152.00720	0.4
175.02637	0.4
175.03952	1.9
177.01958	0.4
185.06091	0.5
185.96449	0.2
197.06090	0.3
198.03178	0.3
199.04024	1.5
200.04306	0.4
201.01877	0.6
213.05550	0.4
214.10693	0.3
217.05017	1.1
227.03804	0.3
240.76236	0.3
241.05125	0.7
243.02950	0.6
267.02609	0.3
284.03195	0.4
285.04028	100.0
286.04370	14.3
287.04672	3.1
297.04077	0.4
299.05655	0.3
314.47046	0.3
327.05093	0.8
355.04639	0.3
357.06082	1.0
369.05713	0.2
381.06378	0.4
391.16272	0.3
461.07242	50.5
462.07645	10.8
462.12494	0.3
463.07761	3.7
699.06775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98517	0.2
69.84818	0.3
69.85213	0.7
75.11666	0.2
101.24054	0.2
117.42206	0.2
241.87971	0.1
344.44345	0.2
368.49945	0.2
407.46500	0.2
440.39145	0.2
536.00940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02386	0.6
65.00318	0.8
71.53178	0.5
78.73978	0.3
82.48643	0.3
86.53033	0.3
107.01414	1.7
108.02194	0.8
109.02965	0.8
118.76492	0.3
119.05013	0.4
121.02921	0.6
125.02477	0.7
135.00885	0.7
137.02437	0.5
144.54826	0.3
147.64720	0.4
148.01688	1.2
151.00377	5.7
163.00369	1.3
163.03992	0.5
173.04565	0.8
178.99893	2.5
189.42451	0.3
191.05621	0.5
195.04828	0.4
199.04150	0.4
203.03572	0.5
207.42213	0.3
211.04126	0.6
215.03517	0.4
216.04297	0.4
225.11699	0.4
226.02815	0.9
227.03412	1.6
229.04977	0.4
243.02965	5.5
244.03502	0.5
245.04623	0.7
254.02238	1.4
255.02989	16.1
256.03470	1.2
271.02478	35.9
272.02917	2.8
273.04080	0.5
283.02417	0.4
285.04025	0.5
299.01886	0.6
300.02753	74.7
301.03442	20.4
302.03806	1.6
343.04913	0.4
378.70306	0.4
392.01404	0.4
463.08829	2.7
464.09299	0.4
505.09872	100.0
506.10150	11.3
507.10687	0.4
724.58313	0.4
853.28839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.3
61.98534	1.5
61.98833	17.3
66.70434	1.0
68.52220	0.8
69.03442	0.8
69.89780	0.9
71.01381	17.8
71.52742	1.7
72.32031	0.9
72.99329	1.2
73.02940	1.8
75.00889	0.8
79.95726	0.9
80.02695	1.6
80.96501	2.9
81.03461	2.1
83.01375	1.8
83.05030	6.2
84.02157	1.1
85.02958	3.5
87.00886	3.8
89.02444	14.7
95.01376	1.5
96.96021	1.4
97.02948	3.0
101.02437	11.4
102.17243	0.9
107.69372	0.7
113.02453	7.3
115.93706	0.9
116.92905	2.6
119.03490	3.7
125.02438	6.8
125.06108	1.2
143.03465	1.3
155.10738	1.0
161.04562	3.3
163.11304	5.6
165.12830	3.0
167.03586	1.3
179.05585	5.4
183.13898	6.2
191.10757	1.0
193.12315	1.6
209.11823	100.0
210.12135	6.4
211.13385	85.2
212.13676	5.2
221.06601	1.9
227.12894	14.6
235.08174	3.5
247.28922	1.1
254.03455	0.9
287.07901	1.0
295.19473	1.0
305.08725	1.7
323.09943	1.6
379.12451	8.2
392.07941	0.8
397.13510	41.5
398.13760	3.4
415.14435	8.2
473.97473	1.0
539.09686	0.9
589.24762	4.0
591.27063	5.3
607.26215	3.3
609.27692	6.7
610.27765	1.3
626.27429	1.0
802.40033	1.0
851.40814	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
61.98829	100.0
62.98534	0.2
63.82052	0.1
66.10007	0.1
66.22273	0.1
68.28989	0.1
71.01379	0.4
78.95928	0.1
80.42268	0.1
80.96516	0.1
84.98074	0.1
85.02953	0.1
89.02453	0.2
93.79215	0.1
101.02467	0.2
113.02419	0.1
116.92875	0.2
125.02483	0.3
135.04384	0.1
138.64520	0.1
165.12816	0.1
165.48201	0.1
171.10419	0.1
183.13925	0.7
190.46660	0.1
209.11777	0.4
211.13382	0.8
224.50362	0.1
225.92654	0.1
241.00851	0.1
255.25754	0.1
397.13806	0.1
415.20911	0.1
549.69647	0.1
607.83282	0.1
755.74164	0.1
819.40039	1.1
833.40210	0.1
851.42059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.0
62.31799	0.2
63.02393	0.7
65.00313	0.6
66.99951	0.2
71.01388	2.3
71.52887	0.3
72.99329	0.4
73.02943	0.3
75.00864	0.8
83.01375	0.6
85.02946	2.2
87.00862	0.7
89.02462	0.4
95.01376	0.8
99.00894	1.1
103.00348	0.3
105.03455	0.3
107.01385	1.5
109.02928	0.4
113.02442	2.0
115.00365	0.3
117.01950	0.4
121.02940	0.6
129.01935	0.4
133.02950	4.3
149.02457	1.3
151.00363	3.3
152.00758	0.2
165.04016	0.4
171.04585	0.3
175.02426	0.4
175.03976	2.2
185.06015	0.4
189.05505	0.2
197.06067	0.4
197.76407	0.2
199.03986	1.6
201.01878	0.7
213.05492	0.4
217.05089	1.0
223.04153	0.3
229.05055	0.3
241.04984	0.6
241.10629	0.2
243.02968	0.7
244.63589	0.2
257.04614	0.3
267.02887	0.3
284.03253	0.5
285.04025	100.0
286.04373	7.8
297.03964	0.4
325.45593	0.2
327.05090	0.9
357.06204	0.9
369.06302	0.2
381.06116	0.3
389.14325	1.2
461.07236	58.1
462.07559	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	850.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98530	0.2
65.84322	0.2
70.42889	0.3
70.43219	0.3
71.01394	0.3
76.02080	0.1
78.08968	0.1
96.96008	0.2
123.23553	0.1
137.20050	0.1
154.96759	0.1
163.82397	0.2
209.11856	0.3
210.12238	0.2
549.41827	0.1
654.00739	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.1
61.98831	100.0
62.98530	0.2
71.00131	0.2
71.01392	0.4
89.02452	0.2
92.92806	0.2
94.92522	0.1
94.98103	0.2
96.96009	0.1
101.02493	0.1
123.99941	0.1
125.02454	0.1
133.82649	0.1
162.53648	0.1
163.11314	0.1
171.10321	0.2
197.11938	0.1
201.11337	0.1
205.64355	0.1
207.10271	0.1
209.11845	0.8
210.12225	0.2
225.11411	0.2
227.12881	0.1
296.65707	0.1
397.13727	0.1
415.14346	0.1
429.51874	0.1
476.62189	0.1
538.78284	0.1
737.39343	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	849.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
61.06769	0.2
63.02388	0.5
65.00311	0.6
68.99794	0.2
69.58041	1.0
69.58449	0.4
71.01383	2.4
72.01732	0.2
72.99290	0.4
73.74554	0.2
75.00866	0.7
83.01369	0.5
85.02953	2.9
87.00866	0.7
89.02415	0.4
95.01369	0.7
98.19897	0.4
99.00903	1.2
101.02481	0.2
103.00339	0.3
105.03471	0.3
107.01389	1.1
109.02955	0.4
113.02437	2.6
115.00386	0.4
117.01933	0.5
119.33288	0.2
121.02932	0.5
125.02399	0.5
129.01949	0.3
130.65866	0.2
133.02950	4.5
141.56575	0.2
149.02432	1.5
151.00375	2.9
175.02539	0.4
175.03967	2.0
177.01917	0.3
197.06038	0.3
198.03210	0.3
199.03949	1.7
201.01878	0.4
212.04654	0.3
213.05545	0.7
215.03490	0.4
217.05110	1.2
239.03233	0.3
241.05046	0.8
243.02995	0.7
249.63019	0.2
257.04538	0.4
267.02707	0.3
285.04034	100.0
286.04401	6.7
297.04019	0.6
298.04617	0.2
327.04974	1.0
355.05005	0.3
357.06107	0.9
381.06219	0.3
399.07288	0.3
443.24503	0.3
461.07251	58.2
462.07642	7.1
493.02985	0.2
844.55042	0.3
849.27850	0.3
860.31763	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.1
59.02477	0.9
61.98825	2.4
69.23451	7.7
70.48141	1.0
71.01384	12.2
72.99298	1.1
73.02930	2.6
77.07514	1.2
83.01344	1.0
85.02947	2.0
87.00876	2.4
89.02450	8.7
90.58421	1.2
97.02956	1.4
97.06579	3.3
99.00857	1.2
101.02442	9.0
112.98431	1.1
113.02445	3.7
119.03487	2.2
125.02399	1.4
125.09741	1.2
145.26236	0.9
151.11284	9.4
161.04591	1.6
169.12337	35.6
170.12747	1.5
195.10158	1.3
202.49248	1.2
213.11316	5.1
221.06598	1.8
234.80151	1.1
255.20660	2.4
255.23303	40.1
256.23615	3.7
397.13409	2.5
849.48523	100.0
850.48676	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	847.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
61.98829	1.8
63.96238	1.7
68.66763	0.4
69.03450	0.8
70.58701	0.6
70.59043	0.9
71.01383	9.1
73.02946	1.4
78.98595	7.3
79.95734	17.4
79.96208	0.9
80.96515	89.3
81.03456	0.9
82.96104	1.2
85.02945	3.0
87.00876	2.5
92.60429	0.4
94.98087	19.6
96.95985	2.3
97.02951	1.0
99.00889	0.6
101.02441	2.5
106.98091	3.8
122.97586	4.3
123.62837	0.4
125.02436	3.6
127.03991	1.2
134.97583	7.4
136.99117	2.1
146.97543	0.4
148.99135	6.8
152.98640	5.7
164.98627	13.6
179.00082	0.5
206.99734	3.5
207.71812	0.4
225.00726	21.0
226.01085	0.7
255.23309	1.1
283.05020	0.8
501.43570	0.5
510.43655	0.4
537.27295	1.5
556.68677	0.5
591.24652	2.1
596.76141	0.4
847.48712	100.0
848.49042	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	848.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.1
61.98831	100.0
62.98530	0.1
65.05672	0.1
69.23065	0.5
69.23499	0.5
71.01393	0.4
88.98832	0.2
91.18764	0.1
101.02452	0.1
109.06589	0.1
142.78545	0.1
171.10292	0.2
200.11336	0.1
207.10402	0.2
209.11839	0.7
210.12189	0.3
222.41997	0.1
246.57782	0.1
281.90320	0.1
336.53058	0.1
870.68329	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	847.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.4
60.99301	2.5
61.98817	2.8
66.15677	0.4
67.06670	0.4
69.03417	0.7
71.01384	3.4
71.51443	0.7
72.99306	5.3
73.02949	0.5
80.02654	0.8
80.96516	0.8
81.03457	0.6
81.07094	0.6
83.05031	4.7
84.02170	0.6
85.02921	0.6
87.00893	0.6
88.98803	11.4
88.99353	0.6
89.02452	2.9
89.99162	0.4
91.00365	0.6
97.02939	2.1
101.02449	2.8
109.06589	1.2
111.08183	2.5
113.02439	1.5
114.45497	0.6
116.92852	0.6
119.03484	0.7
125.09720	0.9
142.43721	0.5
159.77727	0.5
161.04538	1.0
163.11282	3.9
165.12756	2.8
169.12370	1.2
171.10225	1.5
179.05563	0.9
181.12297	0.6
191.10826	0.8
197.11842	14.1
198.12215	0.8
199.13393	0.8
209.11823	100.0
209.48853	0.4
210.12157	6.4
211.13428	4.5
218.40749	0.5
227.12875	13.0
227.15176	0.8
228.13200	0.6
231.95116	0.4
235.08249	4.9
247.20718	1.2
253.09306	12.7
254.09561	0.5
262.57205	0.5
263.20294	0.6
273.18542	0.6
291.19638	15.8
292.19922	1.0
309.20697	41.9
310.21133	3.7
325.20193	0.9
398.58102	0.5
406.80981	0.5
445.20569	3.7
527.28882	1.0
545.29694	3.6
546.30237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	6.6
60.99306	1.4
61.41233	1.4
61.98537	2.9
61.98830	34.3
65.65441	1.6
71.01380	87.6
71.04964	1.5
71.51904	2.0
73.02945	1.8
75.00867	6.5
78.94199	1.8
81.03464	3.1
83.01345	2.2
83.05022	6.6
85.02957	2.9
87.00883	1.9
88.98808	9.1
89.02444	3.9
95.05038	2.4
96.96017	2.6
97.02941	4.2
100.72173	1.5
101.02406	3.5
105.01891	3.2
109.06596	16.0
113.02407	2.5
125.09672	4.5
127.51804	1.5
135.08159	2.2
161.04532	1.7
161.09734	1.7
163.11284	13.2
165.12759	1.7
171.10283	25.7
181.12367	2.8
185.11835	4.7
189.09106	1.7
196.67961	1.5
197.11763	2.4
200.73570	1.5
201.11278	11.3
207.10252	36.6
209.11815	100.0
210.12183	4.5
225.11324	31.5
226.11621	2.1
227.12852	11.2
235.08203	4.1
243.12347	2.5
253.09309	9.9
315.98859	1.6
399.21722	3.7
417.22510	2.2
461.20392	9.8
462.20041	2.1
512.57440	1.9
635.31006	3.0
640.92950	1.6
653.31506	3.6
671.32825	7.0
672.33533	4.8
865.16687	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	845.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.6
69.43919	0.6
71.01382	9.8
72.99296	1.6
73.02935	0.8
75.00882	4.3
79.51302	0.7
83.01381	0.7
84.02149	0.6
85.02457	1.1
85.02956	18.2
85.03470	1.3
87.00861	2.9
89.02430	1.6
92.45615	0.5
93.03427	0.9
95.01395	6.4
99.00881	5.3
103.00403	3.0
112.01564	0.6
113.02451	36.8
115.00361	1.7
117.01937	3.1
124.01644	1.7
125.02424	2.0
129.01932	1.7
133.01389	0.9
149.99570	2.4
151.00348	1.5
152.01152	0.9
157.01495	0.8
157.75444	0.6
168.00624	4.6
169.01385	1.2
175.01038	0.9
175.02483	16.8
193.01425	1.3
229.14496	0.6
255.02815	0.8
256.03833	4.1
284.03247	78.5
285.03632	6.8
299.05603	100.0
300.05981	8.5
301.06036	0.6
341.06570	0.8
475.08801	77.0
476.09100	9.7
569.49841	0.6
845.26941	4.4
846.26770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.2
60.99306	18.3
61.98827	0.7
71.53118	0.4
71.53494	0.2
75.13747	0.2
80.96480	0.2
87.00874	5.4
88.00403	2.7
88.01226	0.5
88.98805	100.0
89.02438	8.1
89.99137	0.8
105.74631	0.2
116.92876	0.8
157.09683	0.2
171.10254	0.4
209.11813	2.4
227.12892	0.3
237.14891	0.3
253.09233	0.3
284.88513	0.2
291.19644	0.4
295.69205	0.2
309.20691	0.6
415.01376	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.1
60.50356	0.1
61.09391	0.1
61.98820	0.2
64.85915	0.1
68.99588	0.2
71.52754	0.2
73.02953	2.6
92.01608	0.2
99.00881	0.4
99.92586	11.5
100.92598	0.4
110.00668	0.1
114.93436	0.4
116.92864	100.0
116.97207	1.2
117.01937	4.0
117.92873	4.1
130.28026	0.1
203.02734	0.2
271.96857	0.1
277.21570	0.2
341.37659	0.1
522.50433	0.2
556.50397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	0.3
71.09080	0.3
73.02952	3.3
78.84902	0.1
99.00893	0.6
99.92590	12.5
100.92604	0.5
100.93330	0.1
105.44157	0.1
114.93443	0.6
116.92868	100.0
116.97180	1.0
117.01947	4.9
117.02597	0.1
117.38854	0.1
117.92882	4.5
118.02212	0.1
132.07883	0.1
140.04112	0.1
144.86967	0.1
196.01317	0.1
237.44041	0.1
295.88531	0.1
394.21567	0.1
451.69437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.8
61.98817	2.9
66.65182	0.7
69.03457	1.1
69.91178	1.1
69.91572	1.9
71.01377	5.1
73.02956	1.0
80.96519	0.9
83.05023	0.8
85.02936	6.0
87.00867	1.6
89.02444	4.0
93.03423	0.7
95.04984	1.3
96.96009	2.1
97.02948	1.0
97.06574	2.8
101.02432	5.9
113.02438	3.1
113.09728	0.8
114.51426	0.6
116.92839	2.3
119.03483	1.6
119.67602	0.7
125.09735	0.8
127.11275	0.8
139.45300	0.8
141.01811	0.7
145.04990	0.8
161.04533	2.8
165.12842	1.1
167.14456	0.9
171.10262	13.7
175.43353	0.8
177.12802	1.1
179.05643	0.9
181.12332	0.8
183.13910	1.3
193.12357	0.9
194.02962	0.7
195.13884	6.4
196.14467	0.7
199.13477	0.7
205.15831	0.7
207.10266	1.0
209.11797	2.6
211.13362	13.2
212.13704	1.2
221.11819	1.6
223.13495	4.5
229.14397	10.3
235.08299	7.2
239.12929	2.6
253.09273	34.2
254.09537	1.2
275.20212	5.3
291.19708	3.6
293.21219	100.0
294.21564	7.3
309.20667	7.6
327.21747	68.0
327.25867	1.4
328.22089	5.4
424.99765	0.7
492.22028	0.8
529.30133	2.2
545.29620	2.8
563.30847	6.6
564.31146	1.1
603.42944	4.1
604.43091	1.1
839.43103	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	839.383
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36261	2.7
59.01374	9.4
60.00031	2.5
61.98830	52.6
62.28956	2.7
63.91589	2.7
69.74589	11.2
71.01375	11.2
71.34470	2.9
74.22487	2.6
82.95380	3.0
89.02450	6.9
94.72144	2.9
97.73518	2.6
101.02447	7.1
110.17998	2.5
113.02448	4.4
116.92854	11.5
125.02428	6.8
132.19507	2.6
161.04590	3.9
183.13957	5.1
209.11794	4.4
211.13377	100.0
212.13721	7.3
274.50720	3.7
379.12460	8.0
397.13547	26.5
424.88220	2.9
456.33652	3.1
591.26434	17.9
602.21405	3.2
609.27881	22.3
610.28247	3.3
643.12610	3.3
785.39734	3.9
803.40497	10.0
804.40668	3.6
812.93408	3.2
839.38647	53.8
840.38379	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	837.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.6
60.61813	0.4
60.99302	0.5
66.03644	0.4
67.01885	3.6
69.03452	0.7
70.06416	1.8
71.01382	3.2
81.03445	0.6
81.40271	0.4
83.01402	0.4
83.05028	0.7
85.02956	2.4
87.00880	0.6
89.02450	0.8
93.03460	20.4
96.96012	1.1
101.02477	0.7
102.07470	0.4
109.02950	1.6
111.00906	0.8
111.04514	4.7
113.02484	0.9
117.03565	0.4
119.05028	16.3
123.04527	0.4
125.02470	2.5
128.54631	0.4
129.13306	0.4
131.03500	0.4
135.04582	0.6
137.02455	5.2
146.04646	0.8
155.03484	3.9
163.04001	15.2
164.12590	0.4
165.02031	0.7
167.03465	0.7
173.04543	100.0
174.04913	3.4
175.02432	0.6
179.03455	1.0
191.05603	10.3
191.07019	0.5
269.04550	2.0
271.06097	1.1
285.04095	0.8
305.06567	1.9
337.09286	57.5
338.09677	4.4
367.11887	1.1
385.13031	0.8
403.13889	1.6
425.82416	0.4
445.08524	0.9
549.22870	0.5
619.27649	0.8
717.58588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.05889	0.1
62.98518	0.1
70.74442	0.2
71.01397	0.1
78.95914	0.2
79.95738	0.1
80.96519	0.7
93.27575	0.1
94.98101	0.2
119.63087	0.1
122.97552	0.1
128.73015	0.1
152.14706	0.1
164.98576	0.1
178.88477	0.1
225.00714	0.1
260.96365	0.1
359.78848	0.1
525.73486	0.1
545.13953	0.1
599.02930	0.1
786.97888	0.1
837.48425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.8
62.04879	0.5
67.01894	0.5
68.99818	0.8
71.01374	3.8
71.52510	0.5
72.99306	1.9
75.00874	1.5
83.01383	3.2
84.02174	2.8
85.02951	100.0
86.03307	2.3
87.00867	1.0
89.02437	1.2
101.02436	1.0
103.00373	1.3
111.00880	4.7
115.00345	0.7
117.77324	0.4
119.05020	2.6
125.02447	2.0
129.01942	8.4
133.01450	1.5
135.04530	1.0
145.01414	0.6
145.03012	0.5
147.03001	12.2
163.02774	0.6
163.03894	2.1
173.00919	2.7
173.04562	1.1
177.01985	0.5
179.03456	1.2
191.01973	54.5
192.02321	1.6
192.05980	0.8
193.01431	0.6
209.03021	42.5
210.03378	1.4
292.28531	0.4
337.05652	1.6
353.08777	1.2
354.09186	0.7
355.06680	30.9
356.06946	2.8
420.46286	0.4
431.31601	0.5
434.77484	0.5
510.46103	0.5
797.95154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
61.98830	100.0
70.97708	0.1
71.01389	1.2
71.52654	0.2
79.95750	0.5
80.96529	0.5
89.02484	0.3
89.46227	0.1
93.03486	0.2
95.95246	0.2
96.96003	1.4
101.02426	0.3
113.25211	0.1
116.92885	0.6
123.42140	0.2
125.02422	0.2
134.89453	0.2
136.80765	0.2
193.38275	0.1
207.10382	0.2
208.10779	0.1
209.11900	0.6
210.12193	0.4
211.13434	0.6
212.13753	0.3
223.73068	0.1
225.11378	0.2
227.12895	0.2
254.51427	0.1
326.25769	0.1
352.90421	0.1
397.13406	0.2
818.39148	0.2
831.28113	0.2
836.38806	0.7
837.39832	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.2
61.98832	100.0
69.16869	0.8
71.01403	0.2
85.02972	0.1
87.15018	0.1
96.96044	0.1
98.19843	0.1
101.02442	0.1
101.43604	0.1
113.02475	0.1
116.92849	0.2
118.89217	0.1
125.02435	0.2
163.86604	0.1
169.12231	0.1
172.52527	0.1
180.28282	0.1
209.11806	0.9
210.12250	0.2
221.44061	0.1
227.12929	0.1
323.14908	0.1
397.13693	0.1
818.41144	0.1
836.40411	0.2
837.39813	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	0.5
59.01380	9.6
69.03442	0.4
69.33418	0.8
69.33824	0.3
71.01383	7.4
71.05035	0.2
72.99305	0.6
73.02634	0.1
73.02955	1.1
75.00887	0.2
80.02669	1.1
80.64467	0.1
81.03459	1.5
83.01385	0.9
83.05025	5.4
83.32787	0.1
84.02159	0.9
85.02950	1.8
87.00886	2.2
89.02446	6.7
93.03432	0.3
95.01381	0.7
95.05036	0.8
97.02956	0.9
97.06583	0.3
99.00873	0.4
101.02450	5.8
109.02946	0.2
109.06591	0.3
111.00866	0.2
111.08183	0.3
113.02448	3.6
114.02768	0.2
119.03510	1.8
125.02460	2.6
125.06082	0.6
125.09711	0.3
131.03484	0.4
133.05086	0.1
135.08177	0.9
135.22575	0.1
139.03996	0.2
141.01967	0.3
143.03535	1.1
147.11766	0.3
149.09691	0.2
155.29910	0.1
159.02972	0.2
161.04564	1.6
163.11282	4.5
164.11594	0.2
165.12837	2.5
167.03453	0.2
169.00153	0.1
171.10266	0.6
179.05602	2.1
181.12329	0.7
191.10814	1.3
199.06059	0.2
199.13284	0.3
203.05568	0.2
209.11819	100.0
210.12154	5.9
217.07126	0.4
221.06654	0.9
221.11844	0.2
227.12878	15.3
228.13220	0.9
235.08241	2.5
236.08498	0.2
247.13347	0.5
251.12779	0.5
253.09204	0.4
259.08075	0.2
263.07693	0.3
265.14294	0.3
287.07703	0.8
305.08899	0.8
323.09830	0.6
339.76294	0.1
379.12473	3.0
380.12729	0.2
397.13489	18.5
398.13770	1.3
415.14575	5.4
416.14941	0.4
589.24927	0.4
607.26093	1.2
608.26715	0.4
799.37830	0.5
817.38318	0.3
832.28046	0.1
835.39191	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.1
61.98829	100.0
62.98532	0.2
71.01421	0.1
78.91934	0.1
80.96510	0.2
91.37315	0.1
117.04920	0.1
125.02445	0.2
156.99124	0.1
161.04579	0.1
165.12813	0.1
186.40112	0.1
193.82439	0.1
209.11873	0.5
211.13338	0.1
216.31067	0.1
218.13153	0.1
228.72241	0.1
253.09386	0.1
289.18228	0.2
293.21198	0.1
294.21362	0.1
389.79944	0.1
397.13861	0.1
461.55792	0.1
692.43811	0.1
834.52631	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	0.4
59.01380	8.7
64.64000	0.1
67.01908	0.1
69.03455	0.6
70.03164	0.1
70.16079	0.4
71.01381	7.6
71.05037	0.2
72.01711	0.1
72.99306	0.6
73.02946	1.3
75.00864	0.2
80.02680	1.4
81.03467	1.4
83.01382	0.8
83.05024	5.7
84.02157	0.9
84.02578	0.1
84.05360	0.2
85.02950	1.5
86.53518	0.1
87.00881	1.7
89.02446	7.0
91.65694	0.1
93.03460	0.3
95.01393	0.4
95.05038	0.7
97.02953	1.1
97.06588	0.2
99.00876	0.5
101.02447	5.8
106.04386	0.1
109.02951	0.1
109.06572	0.4
111.00967	0.1
111.04533	0.3
113.02453	3.4
115.04013	0.2
119.03502	1.7
123.08106	0.2
124.01642	0.2
125.02448	2.5
125.06088	0.6
125.09710	0.3
129.27969	0.2
131.03503	0.3
133.05121	0.3
133.31450	0.1
135.08180	0.7
139.04016	0.3
141.01843	0.3
143.03503	1.1
145.05066	0.2
147.11835	0.2
149.04526	0.3
161.04567	1.7
163.11290	4.3
164.11571	0.2
165.12837	2.7
166.13126	0.1
171.10268	0.6
177.09218	0.1
179.05573	2.0
181.12395	0.7
185.11743	0.2
185.67860	0.1
191.10770	1.3
199.06113	0.2
199.13393	0.3
209.11819	100.0
210.12152	6.0
217.07123	0.2
221.06641	0.8
223.18954	0.1
227.12878	15.2
228.13136	0.8
229.14479	0.2
233.11707	0.2
235.08197	2.3
247.13429	0.4
251.12959	0.5
253.09233	0.5
258.51984	0.1
259.08203	0.2
263.07840	0.3
265.14392	0.3
270.32852	0.1
287.07712	1.0
288.24362	0.2
305.08884	0.9
318.58542	0.2
323.09790	0.5
379.12448	2.5
380.12759	0.3
397.13489	19.6
398.13950	1.4
401.23141	0.2
415.14554	4.9
416.14871	0.5
419.24460	0.2
589.25226	0.5
607.25812	1.1
669.90479	0.2
755.34344	0.2
799.37292	0.7
800.38159	0.2
835.39667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.2
62.29734	0.4
63.02408	0.6
64.11024	0.3
65.00341	0.6
69.48573	2.4
71.01382	4.9
73.02950	1.0
75.00890	0.9
80.21246	0.4
83.01399	1.5
85.02949	3.9
87.00874	1.4
88.98843	0.5
89.02447	1.5
93.03508	0.7
95.01381	1.3
96.46252	0.4
96.95918	0.4
99.00897	1.7
101.02441	1.6
103.00407	0.6
105.03496	0.3
107.01387	1.6
111.00913	0.4
113.02463	4.0
115.00360	0.5
117.01996	0.5
119.03529	0.4
119.05016	0.7
120.99675	0.5
121.02921	0.6
125.02445	7.9
125.06055	0.5
126.02776	1.2
129.01970	0.6
131.48553	0.4
133.02946	4.6
137.02432	0.5
149.02443	1.8
151.00356	3.5
161.04509	0.4
165.09230	1.6
169.01570	0.5
169.82518	0.4
172.71411	0.3
173.04434	0.7
175.02620	0.6
175.03989	1.7
198.03342	0.4
199.03947	1.8
201.02034	0.9
209.08199	8.4
210.08426	1.2
213.05554	0.8
217.05090	1.0
233.08220	2.0
234.08530	0.6
241.05080	0.4
243.03006	0.9
251.09277	1.5
252.09608	0.8
257.04565	0.5
268.03775	0.9
269.04517	3.1
281.17593	1.1
283.02612	0.4
284.03186	0.8
285.04041	100.0
286.04340	7.4
297.04019	0.5
327.05084	1.1
347.17102	0.7
357.06131	1.1
371.13364	1.2
413.14410	0.6
414.15024	0.9
415.14923	0.8
445.07666	0.7
461.07227	54.9
461.24066	1.5
462.07510	6.6
561.53046	0.4
598.44690	0.4
649.80438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	0.1
59.01379	0.3
61.98830	100.0
62.98535	0.2
69.41273	0.5
69.41672	0.1
71.01390	0.6
74.67800	0.1
77.19949	0.1
89.02451	0.2
96.96018	0.1
97.02959	0.1
98.19896	0.2
101.02459	0.2
113.02486	0.1
116.92882	0.3
125.02448	0.4
125.09779	0.1
126.02749	0.1
167.03528	0.2
197.11783	0.1
199.13382	0.2
201.11360	0.1
207.10323	0.2
209.11838	1.3
211.13416	0.5
225.11363	0.3
227.12933	0.3
397.13531	0.4
561.15033	0.1
834.52374	0.1
835.40271	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.1
61.98831	100.0
62.98552	0.2
63.99251	0.3
71.01377	0.3
71.52277	0.2
75.62806	0.1
80.96520	0.2
84.84905	0.1
96.96008	0.6
125.02455	0.2
150.66675	0.1
209.11874	0.3
211.13455	0.6
212.13797	0.4
226.91156	0.2
277.45544	0.1
289.18204	0.2
309.20880	0.4
385.07687	0.1
834.51947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.1
61.04606	1.0
65.21812	0.9
70.63728	2.8
71.01387	5.1
71.61420	0.9
75.76377	0.9
78.95903	40.6
78.98579	2.2
79.95739	14.5
80.96515	41.0
85.02967	2.0
87.00872	2.0
89.94785	1.0
94.98077	8.8
96.29446	0.9
96.96949	8.4
101.02434	1.1
106.82873	1.0
106.98067	1.2
110.76122	0.9
122.97561	4.3
125.02462	1.3
134.97560	3.1
136.99159	1.2
138.41692	0.9
148.99124	2.8
152.98679	1.6
152.99628	9.3
164.98596	4.7
206.99507	1.2
220.93867	1.2
223.00017	4.6
225.00760	8.0
241.01178	17.9
255.23273	30.7
256.23560	2.6
259.02243	1.8
277.21701	17.6
278.22031	2.4
305.45859	1.3
341.05325	1.4
370.46103	1.0
391.22507	3.6
391.27179	1.1
413.06598	1.0
424.80045	1.0
553.27844	1.4
575.25110	1.3
770.63507	1.3
831.49811	100.0
832.50128	26.0
832.66119	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	833.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.6
68.99806	0.6
71.01387	9.7
71.52767	0.9
72.99303	2.1
73.02950	0.7
75.00880	5.3
83.01389	1.8
83.17188	0.6
85.02947	22.5
87.00902	3.2
89.02428	2.3
94.46333	0.7
95.01392	7.4
99.00874	6.3
103.00378	3.4
113.02451	34.5
115.00370	1.8
117.01952	2.4
123.04553	0.8
125.02401	1.3
129.01917	1.4
139.00412	0.9
151.00270	1.2
157.01410	1.0
159.93355	0.6
167.03401	0.9
167.47508	0.6
175.02477	17.8
191.02023	0.7
207.10188	3.8
208.10487	1.0
251.36073	0.7
255.02885	0.7
256.03748	4.6
269.04547	3.4
274.95724	0.6
284.03256	77.5
285.03616	7.0
299.05591	100.0
300.05936	8.4
301.03519	0.6
341.06668	1.0
371.07669	0.8
407.37881	0.7
445.07886	1.2
475.08807	81.6
476.09283	10.3
687.61090	0.8
734.25110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.7
61.98827	6.8
65.42753	0.9
69.03452	1.9
70.55633	0.9
71.01391	10.6
72.99297	1.7
73.02931	1.7
75.00849	1.0
79.95713	1.4
80.02692	1.5
81.03433	2.1
83.01383	2.1
83.05021	4.2
85.02942	2.9
87.00870	2.9
88.98823	1.3
89.02444	8.8
95.05016	1.1
96.95973	2.1
97.02917	1.3
99.00888	2.0
99.92559	1.3
101.02453	6.4
112.98804	1.2
113.02460	4.8
116.92854	8.8
119.03487	1.7
125.02444	4.7
125.09676	1.9
127.07627	1.0
139.03975	1.0
141.01715	2.2
143.03467	1.0
153.09192	3.1
160.46620	0.8
161.04543	2.4
163.11267	5.8
165.12810	2.8
167.03516	1.2
167.10718	1.1
171.10207	6.5
178.09943	0.9
179.05548	2.1
179.14336	1.6
185.11726	1.5
191.10681	1.3
195.13878	3.9
197.11815	2.5
201.11172	0.9
205.12225	2.9
209.11816	100.0
210.12190	6.3
211.13374	6.5
219.14037	0.9
223.13380	28.5
224.13814	2.1
227.12852	15.5
228.13208	1.3
229.01703	0.9
235.08208	3.4
237.14984	1.3
253.09206	4.6
289.17999	4.5
307.19147	14.5
325.20181	11.4
326.20502	1.3
379.12250	2.5
380.20911	1.0
397.13513	16.5
398.13773	1.6
415.14520	3.8
445.20740	1.3
501.35461	1.0
543.27942	4.3
603.26849	2.4
621.27673	3.0
735.39386	2.9
753.40820	3.0
771.40973	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	831.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.7
61.98830	98.8
69.03452	0.9
70.41139	2.1
71.01381	4.0
72.99311	0.9
78.95902	1.1
79.95764	0.8
80.96546	0.8
83.01413	0.8
85.02963	1.6
87.00891	0.8
88.98814	1.9
89.02451	3.4
97.02940	2.0
100.90724	0.7
101.02433	3.9
111.08158	3.4
113.02485	1.5
116.92853	1.5
123.08252	0.7
125.02427	1.2
161.04568	2.3
165.12946	1.6
167.10796	1.0
169.12355	1.1
171.10257	2.1
181.12347	1.0
183.13896	5.6
184.14291	0.9
193.12315	2.3
197.11812	14.8
209.11853	5.0
210.12204	2.0
211.13394	100.0
212.13687	6.8
227.12914	2.5
235.08318	4.2
247.20688	1.2
253.09274	11.7
291.19678	17.9
292.20129	1.9
309.20700	43.8
310.21054	4.4
320.05396	0.8
447.22379	8.9
448.22723	1.8
482.73639	0.8
503.33652	0.9
527.28497	1.8
545.29559	2.9
721.41406	1.1
739.42181	2.3
740.44489	0.8
759.77496	0.8
831.49341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.8
61.98833	3.4
63.96240	1.7
67.69416	0.5
70.18385	0.7
70.18729	2.4
71.01382	9.6
73.02932	1.9
78.95921	0.7
78.98594	7.7
79.95733	35.5
80.96515	90.9
81.03455	1.4
85.02949	3.7
87.00880	3.2
94.98088	19.0
96.96000	2.1
97.02959	2.0
99.00855	1.0
101.02424	2.9
106.98093	4.1
113.02452	0.7
122.97581	5.8
125.02472	4.6
127.03987	1.2
134.97572	6.3
136.99124	1.5
148.99133	7.4
152.98622	8.1
161.04546	1.0
164.98627	14.1
167.00131	0.8
179.00203	0.9
184.83696	0.5
188.25560	0.6
188.98616	0.6
206.99661	3.8
208.53168	0.6
225.00726	22.2
226.01073	0.6
241.00212	1.2
255.23259	2.5
283.04926	3.2
341.05408	1.8
355.07034	1.3
392.34390	0.6
537.27582	1.9
575.25085	1.1
609.29340	1.0
623.29913	0.9
637.32477	0.7
693.38654	0.9
831.49316	100.0
832.49591	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	831.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	1.2
59.01381	16.4
61.98829	6.3
62.51396	0.5
69.03433	3.2
71.01382	17.4
71.05005	0.9
71.53316	0.6
72.99298	1.6
73.02938	2.4
78.95902	1.1
79.95764	0.5
80.02689	1.2
80.96513	0.7
81.03445	2.7
83.01374	2.5
83.05016	6.1
84.02152	1.2
85.02964	3.6
87.00877	3.4
89.02444	14.5
91.03951	0.6
93.03490	0.6
95.01392	1.2
95.05033	0.8
96.96009	7.7
97.02951	2.2
99.00861	1.3
101.02445	12.3
109.02998	0.6
109.06612	0.6
112.98807	1.2
113.02445	6.5
119.03477	3.0
125.02451	6.6
125.09718	0.7
135.08173	0.6
139.04027	1.0
141.01779	0.8
143.03471	2.0
145.05006	0.5
147.87700	0.5
161.04582	3.4
163.11328	4.0
165.12746	2.4
167.03415	0.7
167.10812	2.6
171.10243	1.2
177.12805	0.6
179.05562	4.5
179.10760	1.3
179.14410	2.4
181.12318	1.2
191.10817	1.2
195.13901	7.3
199.06113	0.8
205.12326	7.0
209.11818	100.0
210.12143	6.3
211.13385	2.1
221.06628	1.9
223.13383	71.1
224.13762	3.5
227.12869	14.9
228.13141	0.6
235.08118	4.5
241.01201	0.5
253.09421	1.1
255.23242	1.0
256.73260	0.6
261.14871	0.7
287.07684	1.2
302.52731	0.5
305.08902	1.3
323.09772	1.1
327.21628	0.7
379.12482	4.4
379.31610	0.6
397.13474	34.8
398.13800	2.6
398.83810	0.6
415.14514	9.8
489.07486	0.5
589.24829	0.9
603.26746	3.2
607.26245	2.1
621.27722	7.1
622.27905	0.7
795.38489	1.0
813.39362	1.8
831.50861	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	823.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81593	4.0
61.98830	36.6
79.95702	3.8
80.96523	7.7
82.63731	3.4
99.92597	9.8
101.67865	3.7
116.92102	7.2
116.92867	100.0
117.92904	8.0
125.02419	9.5
169.01286	4.2
171.10306	17.6
202.57169	3.7
209.11798	59.4
210.12115	5.8
211.13374	16.9
227.12810	10.5
235.08237	6.2
251.16522	4.1
253.09154	6.9
289.18091	5.7
291.19681	22.8
307.02701	3.9
445.20767	6.1
447.22006	4.1
527.28613	5.0
737.41071	6.0
823.41876	34.1
824.41797	5.2
854.69757	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	18.4
61.98836	4.7
71.52501	0.5
75.00861	0.5
87.00879	2.5
88.00394	1.9
88.01222	0.4
88.98808	100.0
89.02446	7.6
89.99140	0.9
95.11076	0.3
103.00350	0.5
125.02422	0.6
188.06502	0.3
209.11783	1.8
222.61162	0.3
253.09370	0.4
293.21222	1.2
303.79794	0.3
326.21335	0.3
684.56824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.6
61.98819	6.6
62.38054	2.0
65.16871	2.7
66.54258	2.2
69.21043	19.3
71.01370	4.2
78.94831	2.5
88.98808	4.1
89.02433	4.3
101.02415	4.4
116.19214	2.6
116.92850	16.7
120.23359	2.2
121.02965	7.8
125.02480	3.7
142.00093	2.5
161.04535	2.7
165.01974	6.6
167.01086	2.4
167.03448	4.4
171.10207	7.6
171.35378	2.6
209.11816	100.0
210.12053	5.6
211.13316	3.2
213.11232	2.1
219.89639	2.2
225.11333	2.4
225.14990	6.0
227.12889	21.9
235.08168	10.9
253.09258	15.9
341.23300	85.5
342.23740	8.3
445.20657	7.7
451.77344	2.6
533.34509	5.3
559.31207	3.8
577.32208	12.6
578.32916	2.5
636.55090	2.4
823.42566	59.1
824.42993	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	823.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	15.8
61.98823	14.3
69.77906	9.3
69.78313	18.1
71.01394	8.9
80.96505	7.3
87.00864	4.8
91.32991	4.5
98.19981	5.5
103.80698	4.1
104.74120	4.5
114.93394	12.7
115.00298	5.5
116.92867	52.1
117.92861	5.3
121.02952	13.0
131.03487	6.9
132.89978	4.4
133.01431	12.1
133.05057	15.9
163.11215	5.2
165.01944	10.4
176.71729	4.4
209.09901	7.2
209.11833	100.0
225.14954	7.7
227.12860	17.8
235.08202	7.0
253.09253	14.7
315.63388	5.0
333.61017	4.6
341.19290	7.0
341.23306	99.9
342.23550	9.5
352.23254	4.9
445.20938	9.3
577.32220	8.5
618.15533	5.4
823.42468	63.9
824.41766	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	823.389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.9
61.98830	35.2
71.01376	24.1
71.52271	2.9
71.52679	5.0
78.95899	4.1
82.95419	31.8
83.05035	3.3
96.25285	2.9
101.02449	3.3
109.06567	3.3
116.92821	3.3
125.02402	2.6
149.25212	2.7
171.10236	9.6
199.09714	12.2
207.10251	9.6
209.11827	100.0
210.12126	7.1
225.11357	14.6
227.12906	20.2
235.08142	3.2
253.09221	15.0
359.60172	2.8
461.20544	4.3
653.30402	5.2
671.32855	5.4
672.33160	4.4
823.39063	16.2
840.54413	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	823.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	13.6
61.98835	1.5
67.01891	5.9
69.03455	2.0
71.01382	9.3
71.54013	1.1
73.02947	4.8
82.93215	1.0
83.01397	1.5
83.05042	1.5
85.02969	4.7
87.00868	2.2
89.02439	2.6
93.03463	38.3
95.01390	1.3
96.96021	2.6
100.12945	0.8
101.02443	4.2
109.02988	1.0
111.00827	1.8
111.04524	7.3
113.02445	3.0
119.05022	11.4
125.02467	5.6
127.04036	1.1
129.01967	2.1
130.67912	0.9
134.06111	1.1
137.02466	7.3
149.04588	1.1
155.03481	5.5
163.04028	7.9
167.03531	1.5
169.01497	1.3
173.04544	100.0
174.04848	4.2
175.02434	1.1
177.01910	1.4
191.05618	13.4
209.11852	1.8
247.22861	0.9
281.19067	2.1
339.23068	1.9
383.22079	4.8
401.23303	6.1
535.30884	1.4
545.27673	2.3
563.28491	6.6
605.29596	63.3
606.29895	11.2
779.34937	23.2
780.35065	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	821.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
78.52727	1.6
78.95896	14.7
79.95712	2.6
80.96519	6.2
96.96954	3.8
116.92847	3.1
152.99565	3.0
195.13763	1.7
205.89888	1.6
209.11852	21.1
211.13420	2.1
212.15100	1.9
241.01212	3.8
289.18091	3.2
295.22836	4.0
307.19202	3.0
458.80566	2.1
508.16757	2.1
524.60315	1.8
821.40216	32.3
822.41132	7.3
848.98767	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	821.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
57.93042	0.4
59.01373	4.9
61.98830	18.2
68.56891	0.4
69.03454	1.5
69.83681	0.4
71.01382	4.7
71.51569	0.5
71.98765	0.4
72.99302	0.7
73.02952	1.2
77.37764	0.4
79.95742	0.6
80.91697	0.7
80.96516	2.0
81.03470	0.4
83.01398	0.6
83.04978	0.5
85.02958	1.6
87.00894	0.9
87.90730	0.4
89.02454	3.7
94.98095	0.4
95.05025	0.5
96.96015	1.1
97.02945	4.3
97.06564	0.7
101.02446	4.3
110.05581	0.4
110.44545	0.4
111.08175	3.9
113.02425	2.5
116.92830	0.6
119.03468	0.6
125.02445	0.6
125.09702	1.1
136.52249	0.5
137.09711	1.3
143.03491	0.7
161.04535	2.9
163.11285	1.4
165.12863	3.2
167.10728	0.6
169.12334	1.6
171.10242	3.3
177.12767	0.5
179.05556	1.0
179.14375	1.0
181.12273	1.2
183.13904	0.6
185.11792	0.6
193.12288	0.6
195.13905	8.0
197.11824	14.6
198.12102	1.0
199.13370	1.2
205.12369	0.5
205.16063	0.5
207.10251	0.6
209.11800	1.5
211.13329	3.8
223.13387	7.1
227.12894	2.8
228.13507	1.2
235.08206	1.8
239.12805	0.4
247.20702	2.1
249.14848	0.5
253.09268	27.7
254.09631	0.9
256.13107	1.4
258.06329	0.4
263.20071	1.0
265.21869	0.6
273.18610	0.8
275.20129	8.9
291.19647	27.2
292.20074	2.3
293.21213	100.0
294.21558	9.4
309.20694	61.3
310.21024	5.9
529.30225	1.3
530.30225	0.5
545.29138	2.2
546.29651	0.6
585.41809	2.3
617.78717	0.5
718.84131	0.5
731.36487	0.5
780.09143	0.5
821.41693	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	821.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01364	1.3
60.99313	1.5
63.02406	0.3
65.00332	0.7
67.01897	2.9
69.03448	1.1
71.01379	1.3
71.52956	0.4
78.23449	0.3
81.03458	0.6
83.01389	0.6
83.05025	0.6
85.02946	0.9
87.00888	4.2
93.03458	22.8
94.03761	0.7
99.00911	0.7
107.01396	1.4
108.02206	0.5
109.02943	0.8
111.04528	3.9
113.02460	0.6
119.05042	0.6
121.02935	1.3
125.02445	1.0
129.01927	0.7
134.14461	0.3
135.00899	0.4
146.03471	0.3
147.04536	0.3
148.01640	0.6
151.00374	7.8
155.03503	0.7
163.00386	1.1
163.04030	0.6
164.01083	0.3
169.01447	0.6
173.04553	10.5
173.06062	0.6
178.99873	3.6
183.10268	1.0
190.99916	0.4
191.05618	3.5
192.00797	0.4
211.03975	0.9
215.03464	0.3
225.11330	0.3
226.02670	0.8
227.03459	1.2
229.05072	0.6
239.03427	0.4
241.04987	0.5
243.02982	5.0
244.03525	0.5
245.04414	0.6
254.02171	1.3
255.02957	14.3
256.03397	0.9
271.02463	32.0
272.02917	3.4
273.03931	0.4
283.02530	0.9
285.04022	1.5
286.04358	0.8
287.04660	0.5
291.80359	0.3
299.02142	0.6
300.02737	67.6
301.03458	33.5
302.03806	1.8
347.74295	0.3
352.63681	0.3
357.15527	31.2
358.15851	2.3
461.07248	0.5
462.07559	0.3
463.08798	100.0
464.09109	12.1
464.15701	0.4
567.36969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.5
57.32666	0.1
59.01379	1.7
60.39096	0.2
63.02388	0.6
65.00305	0.5
66.35031	0.2
69.96237	0.1
71.01012	0.2
71.01380	2.4
72.99298	0.3
73.02981	0.2
75.00871	0.6
77.21885	0.1
79.50632	0.1
83.01366	0.3
85.02959	2.5
85.46062	0.2
87.00871	0.7
89.02434	0.4
95.01382	0.8
96.95997	0.2
99.00891	1.1
103.00354	0.5
103.61181	0.2
105.03452	0.3
107.01391	0.8
109.02959	0.4
111.00845	0.2
112.07849	0.2
113.02446	2.3
115.00367	0.4
117.01962	0.4
121.02924	0.3
129.01968	0.3
133.02956	4.4
134.03279	0.2
149.02443	1.1
151.00368	3.1
162.89299	0.2
171.04550	0.2
173.02928	0.2
173.04457	0.3
173.78078	0.2
175.02515	0.3
175.03987	1.9
177.01894	0.3
185.11819	2.4
189.05571	0.2
195.04498	0.2
199.03972	1.8
201.01924	0.6
213.05434	0.5
215.03473	0.3
217.05009	0.8
239.03497	0.3
241.05013	0.7
243.02919	0.5
257.04388	0.3
267.02979	0.2
284.03253	0.5
285.04025	100.0
286.04364	7.5
287.04495	0.3
297.03973	0.4
327.05142	1.1
339.05115	0.2
355.04501	0.2
357.06137	1.1
359.17105	0.9
369.06268	0.3
381.05530	0.2
461.07230	57.3
462.07574	6.6
463.07397	0.2
679.39215	0.2
837.77594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
58.00596	0.7
59.01379	15.7
61.98829	0.3
64.19142	0.2
66.61729	0.2
68.99844	0.2
69.03450	1.0
71.01382	13.6
71.05019	0.3
72.99297	0.8
73.02944	2.2
74.93625	0.2
75.00877	0.3
80.02679	0.9
81.03461	2.0
81.41531	0.2
83.01376	1.6
83.05022	5.7
84.02162	0.8
85.02946	3.2
87.00873	3.1
88.74592	0.2
89.02444	13.3
90.02784	0.2
93.03471	0.3
95.01373	1.2
95.05021	0.6
96.96001	0.3
97.02957	2.0
98.19836	0.3
99.00872	0.7
99.04507	0.3
99.90561	0.2
101.02444	10.9
109.02916	0.3
109.06561	0.5
111.00838	0.2
111.04513	0.4
111.08134	0.2
113.02453	6.5
115.04021	0.4
119.03510	2.6
121.02994	0.4
125.02446	4.9
125.06015	0.6
125.09712	0.3
131.03496	0.5
133.05142	0.4
135.08162	0.7
137.02512	0.2
139.04025	0.5
141.01913	0.3
143.03493	2.0
145.05135	0.3
147.11845	0.3
149.04550	0.5
161.04555	3.1
163.11288	4.5
163.12563	0.3
165.12849	3.1
167.03497	0.4
167.14417	0.7
171.10275	0.5
179.05615	4.6
181.12369	0.6
183.13905	5.3
184.14238	0.4
185.04640	0.4
191.10719	1.0
193.12355	1.5
199.13350	0.4
209.11819	100.0
210.12163	5.6
210.14215	0.2
211.13383	76.1
212.13725	3.8
217.07135	0.6
221.06638	1.3
227.12881	15.0
228.13280	0.9
235.08221	4.3
236.08415	0.2
245.06577	0.3
249.14949	0.6
251.12906	0.6
253.09270	0.7
259.08203	0.4
263.07666	0.2
287.07730	1.6
305.08780	1.8
323.09888	1.0
341.10724	0.2
369.95969	0.2
379.12445	6.5
380.12933	0.5
385.24304	0.2
397.13489	35.3
398.13882	2.9
415.14572	8.6
416.14957	0.7
421.25778	0.2
552.93701	0.2
589.25116	1.3
591.26483	1.7
607.25995	2.7
608.26404	0.3
609.27710	2.4
610.27960	0.4
718.88184	0.2
739.83728	0.2
783.38696	0.9
801.39148	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
58.00595	0.7
59.01379	18.3
61.98815	0.3
66.40754	0.3
68.99799	0.2
69.03445	1.3
71.01381	15.5
72.99300	1.0
73.02945	2.4
75.00882	0.3
80.02672	1.6
81.03459	1.8
83.01385	1.6
83.05024	6.1
84.02163	0.8
85.02955	3.3
87.00874	3.9
87.04533	0.3
89.02442	14.2
93.03458	0.4
95.01378	1.2
95.05011	0.9
96.95990	0.4
97.02938	2.2
98.20697	0.5
99.00885	0.8
101.02441	11.5
109.06599	0.3
111.00888	0.3
111.04532	0.3
113.01722	0.4
113.02451	6.1
114.02817	0.3
115.04015	0.4
119.03494	3.8
125.02447	5.0
125.06084	0.9
130.23479	0.3
131.03465	0.8
133.04918	0.2
135.08148	0.6
139.04028	0.4
141.01932	0.3
143.03491	2.0
147.11847	0.3
155.10841	0.2
161.04575	3.0
163.11282	3.6
164.11546	0.3
165.12851	2.8
167.03447	0.6
167.14413	0.8
171.10329	0.5
179.05586	3.9
181.12303	0.9
183.13882	6.2
184.14253	0.3
185.04581	0.4
191.10757	1.1
193.12331	1.9
195.37122	0.3
199.06046	0.4
209.11821	100.0
210.12157	6.3
210.14165	0.2
211.13385	88.8
212.13730	5.0
217.07153	0.5
221.06705	1.8
227.12877	15.4
228.13214	1.0
235.08182	4.9
249.14774	0.5
251.12750	0.5
253.09213	0.7
259.08148	0.3
263.07556	0.5
287.07657	1.4
305.08694	1.8
323.09811	1.1
361.66400	0.3
379.12442	6.8
380.12521	0.6
385.23709	0.4
397.13486	38.5
398.13721	3.2
403.24954	0.3
413.37021	0.3
415.14557	9.1
416.14896	0.6
426.54016	0.3
589.24896	0.8
591.26587	2.3
592.26495	0.4
607.25842	1.5
609.27533	4.2
610.28223	0.7
654.27802	0.3
703.67896	0.3
783.38123	0.9
784.39099	0.3
801.38989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.6
58.00585	2.1
59.01119	2.2
59.01385	31.3
60.01715	1.3
61.98832	33.6
63.99252	2.4
69.03442	3.4
71.01011	2.0
71.01384	30.8
71.52785	2.1
73.02939	3.9
79.95728	4.0
80.96512	14.5
81.03443	3.3
83.01428	1.5
83.05034	6.4
84.02170	2.9
85.02946	8.2
87.00868	5.7
89.02447	22.3
94.98087	3.2
95.01388	3.4
96.96014	21.1
97.02932	5.3
97.06588	2.2
99.00912	1.6
101.02449	21.3
111.08201	1.5
113.02454	9.2
116.92857	4.8
119.03489	5.8
125.02444	7.1
126.90404	1.3
128.90154	2.0
129.01921	2.4
136.86555	1.3
143.03476	1.8
155.41240	1.4
161.04506	3.9
163.11240	5.4
164.98615	3.3
165.12856	8.2
171.10214	5.1
179.05577	3.2
180.97145	1.3
183.13901	57.4
184.14236	2.8
191.10674	1.5
193.12312	4.8
193.32097	1.3
209.11829	98.6
210.12167	13.9
211.13408	78.7
212.13699	5.3
219.64882	1.2
221.06648	2.2
225.00655	4.7
225.11238	1.6
225.14888	4.9
227.12880	16.6
235.08255	7.1
243.15982	2.4
253.09210	7.7
258.09732	1.6
319.19736	1.4
341.23331	33.8
342.23639	1.6
357.94565	1.4
379.12488	4.1
397.13553	18.6
398.13806	3.9
415.14365	4.4
445.20850	1.8
533.35022	2.4
629.77313	1.7
776.01495	1.4
801.39349	3.2
819.39893	100.0
820.40100	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	818.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98536	0.2
71.27979	0.1
74.10406	0.1
78.98560	0.1
79.95716	0.2
80.96520	0.9
83.70190	0.1
94.98099	0.2
134.97559	0.1
150.18237	0.1
209.11906	0.3
210.12271	0.1
225.00822	0.1
249.82985	0.1
277.21857	0.2
278.22055	0.2
291.19739	0.2
343.61966	0.1
370.49356	0.1
455.35461	0.1
819.42145	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
59.01375	1.8
59.34693	0.4
65.44026	0.4
67.01887	3.8
69.03458	0.9
69.73522	1.7
69.73933	0.8
71.01379	2.9
81.03458	1.0
83.01369	0.6
83.05019	1.3
85.02946	7.0
86.69270	0.5
87.00883	1.2
91.05572	0.5
93.03455	24.2
94.03780	1.0
98.19943	0.5
99.04484	0.5
107.05025	1.0
109.02955	1.3
111.00868	1.4
111.04518	5.0
125.02446	4.1
127.04028	1.8
133.02974	1.6
134.03743	2.9
135.04521	70.7
136.04854	2.4
137.02454	5.5
149.02441	0.6
151.00415	1.1
153.01909	1.3
155.03484	5.1
161.02458	3.7
173.04539	100.0
174.04909	3.4
175.03879	0.5
177.01932	0.6
178.99959	1.3
179.03487	65.8
180.03818	2.3
191.05603	41.7
192.05992	1.3
275.05582	1.2
285.03979	2.1
303.05063	9.5
304.05475	1.0
353.08746	87.4
354.09097	8.9
442.08020	0.4
465.10269	2.5
492.53140	0.5
709.37701	0.5
721.64874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.1
59.01373	0.2
61.98830	100.0
62.98530	0.2
65.94342	0.1
68.09058	0.1
71.01383	0.4
73.02930	0.1
76.05934	0.1
79.95745	0.1
80.96512	1.1
85.02969	0.1
89.02435	0.2
94.98112	0.3
97.00433	0.1
97.03022	0.1
101.02469	0.3
113.02480	0.2
116.92866	0.2
122.97592	0.1
125.02456	0.2
143.49432	0.1
146.88097	0.1
151.69508	0.1
163.11391	0.1
164.98676	0.2
171.10277	0.1
183.13972	0.1
185.16440	0.1
197.06923	0.1
207.10272	0.3
208.10596	0.1
209.11942	0.6
211.13423	1.2
212.13852	0.3
225.00792	0.4
225.11401	0.2
227.12903	0.1
235.08255	0.1
253.09358	0.1
327.21951	0.3
328.22043	0.2
397.13602	0.3
420.24991	0.1
800.38544	0.2
818.38776	0.4
819.38324	1.3
819.51398	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.51777	0.2
73.52988	0.2
92.30503	0.2
98.83269	0.2
112.12852	0.2
125.02448	0.2
142.89085	0.2
161.04547	0.2
171.10266	0.5
199.80336	0.2
209.11830	0.4
211.13461	0.4
214.09474	0.2
289.18298	0.3
293.21298	1.3
464.80756	0.2
547.36792	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
59.01365	1.0
61.98825	1.8
65.00330	1.1
69.53982	1.7
69.54410	0.7
71.01387	0.5
83.01357	0.7
85.02925	0.5
93.03453	0.4
96.60221	0.4
98.19932	0.9
107.01398	2.2
108.02149	0.8
108.69255	0.4
125.02435	0.9
135.00841	0.4
148.01665	1.0
151.00377	4.7
151.68520	0.4
163.00348	0.9
173.04565	0.5
178.99826	2.9
191.05598	1.5
195.21034	0.4
199.03931	0.7
204.80788	0.4
226.02682	1.2
227.03471	3.0
243.02977	9.2
244.03378	0.6
254.02194	2.1
255.02985	22.6
256.03387	2.0
271.02466	50.6
272.02954	5.1
284.03293	0.7
285.03940	0.7
299.02020	2.4
300.02734	100.0
301.03253	13.2
302.03745	0.5
382.07959	0.4
468.10934	0.4
570.22906	0.5
755.20386	67.0
756.20667	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	818.418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98518	0.1
62.99269	0.1
69.59077	0.1
69.59483	0.4
75.98816	0.1
80.96517	0.1
90.48641	0.1
201.78940	0.1
209.11867	0.2
210.12149	0.1
310.20981	0.1
322.10941	0.1
604.55951	0.1
773.26044	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.418
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69843	0.1
61.98830	100.0
62.98533	0.2
80.96517	0.1
112.14027	0.1
150.26791	0.1
164.21431	0.1
194.41096	0.1
209.11809	0.2
210.12265	0.1
217.94145	0.1
229.10957	0.1
243.12094	0.1
333.81976	0.1
448.11847	0.1
570.76477	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	817.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.5
58.00590	0.6
58.99176	0.3
59.01377	12.0
61.98830	20.5
69.03450	0.7
71.01379	10.9
72.99294	1.1
73.02948	1.5
78.98536	0.4
79.95736	0.6
80.02679	0.6
80.96516	3.0
81.03456	1.9
82.96106	0.8
83.01383	1.4
83.05036	3.2
84.02160	0.7
85.02933	2.6
87.00863	2.8
89.02444	9.3
89.02999	0.4
94.98071	0.9
95.01400	0.7
95.05000	0.6
97.02956	2.2
99.00876	1.0
101.02444	9.5
109.02923	0.8
109.06583	1.1
111.00877	0.4
111.04525	0.7
113.02439	4.5
113.79924	0.4
116.92851	1.2
119.03521	2.7
125.02451	4.9
125.09695	0.4
126.90503	1.8
135.08186	0.5
139.04031	0.5
143.03491	1.5
161.04529	2.3
163.11282	3.0
165.12817	1.2
167.03433	0.6
173.43716	0.4
179.05609	2.2
183.13901	0.6
191.10762	0.4
197.11772	0.4
207.10246	2.2
209.11816	100.0
210.12146	6.3
211.13399	2.5
217.07137	0.5
221.06656	1.0
223.13356	0.5
225.00754	0.5
225.11307	2.0
227.12866	8.7
228.13203	0.5
235.08176	3.6
236.08643	0.5
248.10376	0.4
251.12868	0.7
253.09346	1.0
273.17004	1.2
287.07669	1.1
305.08972	0.9
323.09882	0.9
327.21671	0.6
350.93265	0.4
379.12375	5.4
380.12839	0.7
397.13501	25.3
398.13843	2.0
415.14532	5.4
419.24350	0.6
546.39087	0.4
589.25055	0.9
607.26190	1.4
632.74982	0.5
799.37305	2.1
817.38110	1.7
817.51733	2.3
818.39081	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.5
59.01382	4.7
63.02400	0.9
64.99645	0.4
65.00336	1.1
68.99788	0.4
71.01379	4.3
72.99306	1.0
73.02950	0.7
75.00876	2.5
78.14532	0.4
81.03455	0.5
82.22449	0.4
83.01378	0.6
85.02953	12.4
87.00873	1.6
89.02435	1.1
93.03470	0.8
95.01392	4.0
99.00892	4.8
101.02435	0.4
103.00356	1.8
107.01379	2.2
108.02203	0.3
109.02930	0.5
113.02451	24.1
114.02804	0.7
115.00377	1.2
117.01953	1.3
117.03451	3.5
121.02950	1.0
125.02457	1.1
129.01950	1.0
149.02429	1.3
151.00354	5.0
159.04482	1.1
161.02409	0.9
163.00339	1.0
163.58418	0.4
165.09207	1.6
173.04465	0.5
175.02475	13.5
176.02904	0.7
178.99855	2.1
181.06488	0.5
183.04524	0.6
197.06088	0.7
201.05585	0.5
209.08192	7.7
210.08507	0.6
211.04080	0.4
225.05556	1.5
227.03465	1.0
243.02968	1.5
245.04520	0.4
255.02975	4.0
256.03287	0.5
269.04538	100.0
270.04877	6.9
271.02472	8.2
272.02975	0.8
299.02115	0.5
299.99908	0.4
300.02740	15.0
301.03503	19.4
302.03757	1.8
311.05627	0.3
331.17606	1.1
371.13446	1.6
445.07727	58.4
446.08002	6.4
598.91010	0.4
665.47552	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
59.10652	0.2
61.98831	100.0
68.57384	0.2
68.99596	0.2
69.65247	1.1
71.01391	0.7
80.96486	0.3
84.04577	0.3
84.80028	0.2
86.75465	0.2
87.00890	0.3
89.02452	0.7
97.02998	0.3
101.02438	0.3
109.06630	0.4
112.98566	0.4
113.02460	0.3
114.93420	1.1
116.92922	0.3
125.02494	0.4
133.49966	0.2
139.65938	0.2
165.12790	0.2
171.10291	0.2
207.10210	1.2
209.11821	3.1
210.12183	0.3
211.13400	1.6
225.11366	0.8
227.12943	0.7
253.09383	0.5
253.14667	0.3
286.23990	0.5
291.19861	0.3
309.20688	0.3
397.13660	0.9
605.23767	0.3
799.37555	0.8
817.39252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01391	2.0
63.02393	0.6
64.67500	0.3
65.00317	0.5
68.99816	0.3
69.44122	1.4
69.44541	0.4
71.01379	2.9
72.99308	0.4
73.02956	0.3
75.00858	0.9
83.01366	0.9
85.02954	5.3
87.00861	0.8
89.02412	0.6
95.01376	0.7
99.00877	0.9
105.00789	0.3
105.03465	0.3
107.01387	1.4
109.02959	0.5
113.02453	2.2
115.00384	0.6
117.01951	0.3
121.02970	0.3
129.01974	0.4
133.02957	5.5
147.02956	0.5
147.83434	0.2
149.02473	1.4
151.00381	3.6
166.17693	0.2
169.03113	0.2
175.02550	0.4
175.03978	2.2
177.02003	0.3
185.05980	0.4
191.02019	1.2
197.06026	0.3
198.03177	0.4
199.04005	1.9
201.01913	0.8
209.03036	1.6
211.04005	0.4
213.05614	0.5
215.03494	0.6
217.05099	1.4
241.05054	0.7
243.02945	0.7
257.04462	0.4
267.03088	0.4
284.03357	0.5
285.04034	100.0
286.04395	9.9
297.04019	0.5
327.05115	1.3
355.06662	0.4
357.06213	0.8
369.06448	0.3
381.06171	0.3
461.07242	53.6
462.07593	7.2
502.27759	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91734	0.1
59.01386	0.3
59.85071	0.1
61.98832	100.0
62.98531	0.1
71.01383	0.2
71.52474	0.1
73.02946	0.1
78.98603	0.1
79.95750	0.4
80.96514	1.5
81.03464	0.1
83.05001	0.1
85.02966	0.1
94.98104	0.4
97.19672	0.1
99.92589	0.1
101.02476	0.1
116.92860	1.2
125.02454	0.2
134.97540	0.1
152.98569	0.1
164.98647	0.2
165.99001	0.1
197.11877	0.3
209.11823	0.8
210.12132	0.4
211.13481	0.2
217.77586	0.1
225.00774	0.3
227.12921	0.1
228.13338	0.1
253.09367	0.2
291.19604	0.1
293.21295	0.1
309.20746	0.2
310.21109	0.1
329.23355	0.1
394.03561	0.1
411.48199	0.1
781.61639	0.1
815.50232	0.3
816.50159	1.2
817.37195	0.1
817.51001	0.3
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
59.01384	2.1
63.96241	2.3
69.03471	1.2
71.01007	0.8
71.01379	9.8
73.02945	2.3
78.98589	7.4
79.95734	17.1
80.32263	0.4
80.96515	100.0
81.03475	1.0
81.96469	0.5
82.10354	0.5
83.01352	0.6
85.02940	3.7
87.00880	3.4
94.98081	21.8
95.01408	0.5
96.84679	0.4
96.96018	1.5
97.02953	1.7
99.00879	1.1
101.02428	3.3
106.98092	4.9
111.31309	0.5
122.97581	4.4
125.02445	4.3
127.04016	1.2
134.97588	6.6
136.99142	1.4
141.01663	1.1
148.99130	6.7
152.98630	7.2
155.80365	0.4
164.98624	16.3
179.00284	0.4
188.98666	0.7
189.99234	0.4
206.99655	2.9
225.00732	20.0
226.00948	0.7
255.23286	2.2
277.21704	1.4
283.05020	0.9
305.02209	0.6
537.27356	1.6
559.25684	1.7
785.87183	0.5
815.49817	99.8
816.50134	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	815.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.0
61.98839	0.8
67.14745	0.3
70.63261	0.4
70.63622	0.9
71.01382	2.6
73.02943	1.0
78.95923	1.8
79.95743	0.7
80.02680	1.0
80.96520	3.4
81.03458	1.5
83.01379	0.6
83.05021	3.8
84.02200	0.6
85.02947	1.0
87.00912	0.9
88.98790	0.7
89.02447	1.8
94.98100	0.7
98.23459	0.3
101.02445	1.8
107.04343	0.4
113.02447	1.3
119.03497	0.6
125.06085	0.5
135.08130	0.7
145.05057	0.4
148.99165	0.4
152.99606	0.7
161.04573	1.1
163.11319	3.1
164.98640	0.5
165.12810	1.5
171.10286	0.7
173.68454	0.3
179.05554	0.6
181.12492	0.4
191.10776	0.8
209.11823	100.0
210.12155	4.9
213.71518	0.4
225.00749	0.7
227.12872	10.6
228.13232	0.7
235.08226	3.8
241.01175	0.6
253.09286	7.7
255.23206	0.6
259.20578	0.5
277.21713	73.6
278.22086	6.4
444.29379	0.4
445.20743	3.1
513.30731	0.9
553.11017	0.4
797.40558	1.1
815.50281	3.5
816.50739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.0
63.96239	1.8
69.03459	0.6
71.01379	9.6
72.99301	0.5
73.02953	2.3
78.98587	8.1
79.95734	17.4
79.96210	0.9
80.96517	94.6
81.03459	0.8
85.02955	3.3
87.00872	3.5
94.98086	18.4
96.96022	1.5
97.02953	1.9
98.20640	1.3
99.00887	0.8
101.02466	3.5
106.98071	3.8
113.02440	0.7
122.97594	4.0
125.02467	3.3
127.03996	0.8
134.97572	5.3
136.99126	2.2
148.99127	6.8
152.98615	8.2
164.98628	15.4
166.22379	0.5
167.00175	0.8
196.89369	1.0
206.99690	2.3
219.65195	0.5
225.00729	19.2
229.02632	0.8
233.04341	0.5
255.23233	1.6
277.21829	1.2
447.71161	0.7
537.27252	1.6
559.26086	2.7
582.33203	0.5
815.49829	100.0
816.50165	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.51868	0.1
75.00871	0.8
80.77673	0.1
100.97736	0.1
109.00829	0.1
111.54177	0.1
116.92905	0.1
168.05910	0.1
197.11900	0.3
209.11928	0.4
211.13432	0.3
223.13446	0.3
309.20673	0.2
338.36563	0.1
373.41833	0.1
762.10449	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01382	2.2
63.02399	0.3
66.70936	0.3
67.01886	0.2
69.03461	0.5
69.73408	1.3
71.01382	2.2
71.99717	0.2
72.99310	0.3
73.02942	0.4
75.00880	0.7
81.03461	0.4
83.05023	1.4
85.02950	4.2
87.00916	0.7
93.03465	2.3
95.01413	1.2
98.20631	0.4
99.00898	1.2
99.04518	100.0
100.04848	2.8
103.00366	0.5
107.01392	0.4
111.04527	1.7
113.02454	7.7
114.02785	0.3
115.00334	0.4
117.01987	0.4
117.03449	1.2
127.04021	0.4
137.02437	0.3
149.02429	0.5
151.00354	0.5
155.03514	3.2
156.03902	0.3
157.01350	0.3
159.04514	0.5
162.02333	0.3
173.04550	5.0
173.06018	0.3
175.02464	3.7
183.04507	0.3
191.05670	0.9
195.10263	21.9
196.10637	1.4
201.05627	0.3
225.05551	0.4
237.07680	0.3
254.34538	0.3
269.04535	30.1
270.04950	2.8
273.09848	1.3
273.29895	0.2
369.15521	44.4
370.15744	4.7
445.07727	8.5
446.08282	0.9
787.54712	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
59.01380	3.3
61.98828	2.4
67.01924	0.4
69.03438	0.4
71.01377	2.6
73.02949	0.6
77.93937	0.4
79.15802	0.4
80.02663	1.4
80.96503	1.5
81.03455	1.8
83.01374	1.1
83.05025	5.3
84.02168	0.5
85.02949	1.3
87.00849	0.6
89.02448	2.2
94.98102	0.5
95.01356	0.5
95.05025	0.6
97.02940	0.7
97.06590	1.7
101.02458	2.7
107.67033	0.4
109.06570	0.9
113.02422	1.3
116.92878	1.0
123.04527	0.6
125.02435	0.5
125.06087	0.7
125.09721	1.9
135.08151	1.3
137.09729	0.9
145.05072	0.7
161.04568	0.8
163.11290	5.6
165.12854	2.7
171.10280	1.1
181.12328	0.9
185.11844	2.8
191.10818	1.3
191.14398	2.3
204.05287	0.4
207.10225	1.8
209.11827	100.0
210.12207	6.3
211.13403	1.7
225.11330	1.7
227.12891	10.8
235.08237	1.9
237.11281	0.7
245.19121	4.3
253.09283	8.2
263.20099	0.5
271.16998	0.6
289.18076	18.4
290.18384	2.2
307.19159	18.3
308.19470	1.8
309.20728	0.5
323.85522	0.5
330.88843	0.5
337.38776	0.5
369.60910	0.5
401.23175	0.7
445.20807	1.1
520.58301	0.5
628.19806	0.5
637.32312	1.3
735.39734	1.0
753.40656	1.2
813.37738	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	813.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	16.9
61.98836	0.9
71.51428	0.4
87.00880	2.7
88.00419	3.1
88.98805	100.0
89.02444	15.8
89.02999	0.5
89.99138	1.1
151.91980	0.4
166.07201	0.4
209.11774	1.4
277.21701	2.7
285.30032	0.4
431.38528	0.4
697.68671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79834	0.3
60.99306	19.1
61.98839	0.7
65.44109	0.3
87.00889	3.2
88.00394	2.6
88.98804	100.0
89.02438	11.9
89.99142	0.9
94.69726	0.3
95.79115	0.4
98.19869	0.9
107.28588	0.3
123.75117	0.5
148.37318	0.3
169.00601	0.3
209.11810	2.6
227.13097	0.5
277.21667	1.2
408.38336	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	811.452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58781	0.7
61.98844	0.9
63.96221	1.9
64.17065	0.9
71.01382	7.5
71.52623	1.0
73.02927	1.3
74.29144	0.7
76.97974	0.9
78.95918	1.0
78.98595	5.9
79.95735	13.4
80.96520	78.3
81.03452	1.1
82.96091	2.9
85.02939	3.1
87.00848	2.6
94.98095	17.7
96.95985	1.8
97.02943	1.5
101.02427	2.4
102.75565	0.8
106.98071	4.5
117.21134	0.9
122.97588	4.4
125.02417	3.3
127.04032	1.3
127.73980	0.9
134.97592	6.0
136.99104	1.5
146.97520	1.0
148.99142	8.2
152.98647	5.8
161.32173	0.8
164.98631	13.8
194.94916	0.9
201.11281	1.6
206.99736	3.0
209.11961	0.9
225.00726	22.6
226.01128	1.8
283.26306	1.5
483.15442	2.4
527.18176	1.5
565.30994	1.1
767.42810	4.2
768.42139	1.2
779.38989	1.2
793.43604	2.5
806.87689	0.9
811.45038	100.0
812.45355	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	811.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.1
61.98828	1.9
64.98729	0.9
65.89996	1.0
69.03458	3.2
70.08688	0.9
71.01385	5.6
71.51633	1.6
73.02987	1.1
82.49504	0.9
85.02940	1.9
89.02438	2.8
89.96834	0.9
97.02953	2.5
101.02454	4.5
111.08137	4.6
113.02453	3.9
116.92843	2.3
125.02435	2.1
125.09743	1.4
165.12883	2.2
167.10748	3.0
169.12431	1.8
171.10323	1.2
177.12831	1.1
179.14395	3.6
195.13896	10.0
197.11845	26.6
198.12238	1.5
199.13434	1.4
205.12335	10.3
209.11815	2.8
211.13397	4.2
223.13399	100.0
224.13748	6.2
227.12860	1.4
235.08267	6.5
247.20667	1.1
253.09322	14.5
268.33881	1.1
291.19659	21.5
292.19757	1.8
309.20697	51.6
310.21106	5.1
441.21487	1.7
454.93451	1.1
459.22400	18.6
460.22552	1.8
493.26373	1.1
545.29724	4.2
751.43787	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	811.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.3
59.01381	5.0
60.20989	0.6
60.99313	0.8
66.26350	0.6
67.01884	3.6
67.79446	0.6
69.03465	1.5
71.01384	7.3
71.52827	1.5
73.02965	0.7
81.03464	1.6
83.01377	0.9
83.05039	1.3
85.02956	10.6
87.00885	2.6
89.02452	2.5
93.03458	28.2
99.00897	0.7
101.02468	1.8
107.05056	0.8
109.02954	2.4
111.00863	2.2
111.04524	5.3
113.02469	2.6
118.98080	1.0
119.05026	27.3
125.02457	6.6
127.04018	2.2
133.02879	0.8
134.03743	2.7
135.04529	72.8
136.04874	3.0
137.02448	7.0
139.00354	0.7
151.04024	0.8
153.01927	0.9
155.03520	5.1
161.02441	2.8
161.04495	0.8
163.04004	21.0
164.04305	1.4
167.03499	1.3
169.01440	4.7
173.04546	100.0
174.04900	3.1
179.03500	66.7
180.03841	2.9
191.05606	41.7
192.05930	2.0
199.02452	1.4
205.05009	0.8
305.06580	2.7
335.69629	0.7
337.28345	0.8
353.08759	84.1
354.09088	7.4
405.21655	3.5
457.07767	3.6
457.13461	45.1
458.14157	4.5
512.16241	0.7
684.32965	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
59.01377	2.5
60.99312	0.7
67.01902	3.8
69.03468	1.3
69.43010	2.1
69.43422	1.9
71.01379	4.0
81.03458	1.3
83.05019	1.2
85.02955	9.0
87.00892	3.3
93.03457	23.2
95.01363	0.7
107.05006	0.8
109.02960	1.8
111.00835	0.8
111.04504	5.2
113.02441	1.1
115.00433	0.7
117.03439	0.9
119.05029	7.8
121.02887	0.7
125.02448	3.8
127.03973	2.9
133.02957	1.3
134.03741	2.7
135.04526	64.6
136.04846	2.9
137.02452	6.3
155.03471	4.9
161.02443	4.0
163.04013	4.9
165.01909	1.3
167.03479	1.5
173.04544	96.9
174.04900	3.8
177.01878	1.4
179.03497	64.3
180.03824	2.8
191.05612	58.2
192.05908	2.7
199.02519	0.8
212.18636	0.6
243.02869	0.7
305.06747	2.8
353.08759	100.0
354.09106	8.0
387.56210	0.7
457.07553	2.9
457.13516	8.3
458.14111	0.6
609.46411	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.1
61.98830	1.2
66.66424	0.7
71.53877	1.1
75.00873	75.3
76.01212	0.9
80.68670	0.7
83.05033	1.2
88.98789	0.7
103.00375	100.0
103.04015	1.3
104.00742	1.1
104.03503	1.1
116.92872	4.8
125.02470	1.6
149.19722	0.7
162.58600	0.7
165.01967	0.7
209.11823	26.2
209.41992	0.7
210.12199	1.6
227.12875	4.2
235.08238	1.0
253.09424	1.1
299.09204	1.4
353.06265	0.7
374.12213	0.8
411.44714	0.8
417.81042	0.7
445.21198	1.5
685.30438	0.8
809.39471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	4.5
63.86090	1.4
66.38200	1.3
69.41154	9.2
75.79441	1.4
99.92580	12.8
100.92605	2.1
101.02444	1.4
101.92406	1.6
116.92860	100.0
117.01895	1.5
117.92873	25.7
118.92616	11.2
118.93398	2.9
121.22120	1.3
125.02460	2.4
134.89447	1.5
136.89151	1.3
170.80305	1.2
171.10240	2.4
197.11835	4.8
199.13342	1.9
201.11290	9.5
209.11824	21.4
210.12268	1.2
211.13335	3.2
227.12909	9.7
235.08167	2.8
253.09221	11.8
291.19708	6.2
306.29358	1.3
309.20700	19.6
313.69351	1.5
437.20425	1.6
445.20673	2.9
463.21744	2.4
545.29865	4.3
561.50433	1.4
622.17413	1.7
729.41113	2.5
755.41913	4.2
809.40869	16.3
810.41394	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	807.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72035	0.9
59.01368	2.5
61.98835	5.5
71.01366	2.9
80.02644	0.9
83.05028	1.7
87.00877	1.2
88.98774	1.3
89.02429	2.5
94.27379	0.7
95.05038	0.8
96.96027	1.1
99.92585	10.7
101.02431	1.9
114.93401	2.4
116.92860	100.0
116.97207	0.9
117.01931	2.4
117.92879	5.8
118.51776	1.0
125.02470	1.9
130.02773	0.9
153.09181	2.5
163.11266	1.6
165.12817	1.6
167.03508	1.1
171.10284	6.0
185.11755	1.2
197.11815	3.2
209.11818	67.8
210.12178	4.0
211.13367	1.0
227.12866	15.8
235.08211	3.5
253.09233	8.3
289.18127	5.3
307.19153	26.2
308.19363	1.7
325.20172	14.5
326.20435	1.0
445.20712	4.5
525.27087	3.2
543.28174	9.4
561.29236	2.9
684.33380	2.2
735.39709	8.6
736.40576	1.3
753.40710	10.2
754.41180	2.6
771.41162	5.0
807.39331	34.2
808.39447	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	807.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08512	4.8
57.51151	4.7
61.98829	13.0
63.57327	5.5
66.08723	5.0
69.89095	13.2
69.89513	14.2
80.96519	10.8
81.46239	5.1
92.13560	5.1
98.20663	5.5
116.92885	5.7
125.02384	8.3
131.03465	8.2
209.11832	100.0
227.12852	21.0
235.08226	7.7
253.09280	18.7
293.21228	66.8
294.21539	10.5
309.35693	5.2
445.20621	9.4
519.87842	5.6
601.89789	5.8
807.42627	68.6
808.43146	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	807.311
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	0.7
69.19978	0.6
69.20403	0.8
73.02944	1.0
77.17336	0.1
81.14611	0.1
83.16422	0.1
89.02431	0.2
96.96001	0.3
99.00861	0.2
99.92583	11.3
100.92608	0.5
114.93417	0.6
116.92861	100.0
116.97259	0.5
117.01938	2.0
117.92864	4.7
125.02448	0.3
143.46931	0.1
171.10306	0.1
201.11441	0.1
209.11752	0.9
211.13380	0.2
217.01855	0.1
226.09067	0.1
227.12898	0.3
235.08226	0.2
253.09233	0.2
289.18112	0.2
325.20218	0.4
546.88129	0.2
807.40167	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36986	0.1
61.98828	0.8
71.01369	0.2
71.52482	0.1
73.02949	0.7
75.00852	0.1
78.95897	0.1
88.84051	0.1
89.02439	0.1
99.00906	0.1
99.92584	10.9
100.92590	0.4
114.93423	0.7
116.92860	100.0
117.01931	1.2
117.92866	4.9
125.02409	0.1
130.25398	0.1
149.04494	0.2
171.10251	0.1
207.34871	0.1
209.11821	0.6
225.11392	0.1
227.12950	0.2
291.19611	0.1
461.07510	0.1
538.49048	0.1
807.38831	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	807.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
59.01380	1.9
59.52503	0.3
63.02385	0.6
65.00322	0.8
71.00992	0.4
71.01368	2.3
71.53296	0.4
72.99301	0.4
73.02936	0.3
75.00871	0.4
85.02942	2.7
87.00879	1.0
89.02469	0.7
92.50488	0.3
93.03429	0.3
95.01402	1.0
99.00881	0.9
103.00349	0.3
105.03457	0.4
107.01359	1.5
109.02961	0.7
111.23232	0.3
113.02462	2.4
115.00330	0.3
117.01959	0.4
119.04986	0.3
121.02935	0.6
123.04618	0.4
128.89937	0.3
132.49104	0.3
133.02951	5.5
147.04448	0.3
149.02428	0.9
151.00365	3.1
163.03949	0.5
175.02574	0.5
175.03922	1.5
177.53487	0.4
185.06067	0.4
189.02272	0.3
191.05557	0.5
197.06087	0.4
198.03256	0.6
199.04024	2.3
201.01924	0.6
213.05504	0.6
217.05075	0.8
239.03621	0.3
241.04994	0.7
243.02995	0.5
267.02853	0.4
283.10843	0.4
284.03262	0.6
285.04034	100.0
286.04361	9.2
286.06879	0.2
327.05161	1.2
345.10608	0.4
355.04459	0.4
357.06158	0.8
358.82587	0.3
381.06192	0.4
403.19846	1.1
406.53836	0.3
407.62433	0.4
418.13638	0.3
461.07236	52.8
462.07614	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	806.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95292	0.3
58.94883	0.4
59.01374	1.2
61.98830	100.0
81.03474	0.4
83.37955	0.3
87.87889	0.4
93.03488	0.7
101.67475	0.3
109.02971	0.5
123.04553	0.5
125.02473	0.9
125.06051	0.5
145.03027	0.3
165.09187	2.0
167.03587	0.3
173.04637	0.5
177.01906	0.9
189.02016	1.0
191.03477	0.4
191.05515	0.3
191.07188	0.4
203.03517	0.5
209.08199	10.8
210.08586	1.2
217.01552	1.2
219.02946	0.3
231.03076	0.5
273.07880	0.6
310.58005	0.4
341.06680	3.2
371.13470	3.3
434.12918	3.7
435.10736	4.3
467.00424	0.4
625.74335	0.4
683.44983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.3
58.00615	0.2
59.01376	2.8
61.98832	1.5
64.46687	0.1
66.10315	0.1
67.24859	0.1
69.03452	0.2
69.62766	0.1
71.01377	2.5
72.99320	0.2
73.02947	0.4
78.91912	0.1
78.95892	0.1
80.96516	0.2
81.01151	0.1
83.01402	0.2
84.10126	0.1
85.02941	0.6
87.00870	0.4
89.02436	2.0
91.04056	0.1
95.01398	0.2
95.05024	0.2
97.03004	0.2
97.06551	0.1
98.20648	0.3
101.02442	2.3
111.08146	0.4
113.02438	1.3
113.09732	0.4
119.03487	0.6
131.03447	0.2
143.03494	0.1
161.04539	1.1
167.10738	0.3
177.12883	0.2
179.05580	0.4
179.10757	0.1
179.14479	0.6
181.07811	0.1
181.12280	0.2
195.13898	8.5
196.14418	0.7
205.12289	0.7
205.15947	0.5
211.13425	0.6
223.13396	5.5
224.13832	0.5
225.14819	0.2
228.13625	0.7
231.21118	0.4
235.08191	1.0
249.11002	0.2
249.22122	0.2
253.09280	17.7
254.09613	0.8
256.13129	1.4
265.21729	0.4
275.20157	5.8
276.20465	0.4
293.21222	100.0
294.21545	9.6
294.24060	0.2
389.01965	0.1
492.22125	0.4
529.30182	1.5
530.30444	0.2
569.41852	1.4
570.42432	0.4
616.52759	0.1
768.43317	0.2
805.40967	0.3
806.40729	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	804.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98531	0.2
74.98328	0.1
78.95927	0.2
78.98592	0.2
79.95740	0.1
80.96516	0.9
85.04942	0.1
94.98082	0.2
96.19787	0.1
98.20641	0.3
98.54266	0.1
124.52613	0.1
125.02452	0.1
126.70616	0.1
152.98586	0.2
164.98653	0.3
185.33861	0.1
209.11855	0.2
225.00754	0.2
596.94012	0.1
703.43878	0.1
710.16852	0.1
804.39819	0.4
805.40405	1.1
821.81451	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	805.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.1
59.01375	6.1
61.98819	1.9
69.03446	0.7
71.01388	5.9
72.99311	0.9
73.02943	1.4
80.02654	1.0
81.03455	1.1
83.01362	1.0
83.05022	4.9
83.96749	0.5
84.02159	1.3
85.02944	4.5
87.00881	1.2
89.02449	4.9
95.05045	1.2
96.96014	6.2
96.96961	0.7
97.02921	1.0
97.06586	2.0
98.19909	1.9
101.02436	4.9
113.02435	3.1
114.93446	0.7
116.92850	1.8
119.03502	1.5
125.02442	1.5
125.06067	0.6
125.09753	0.8
127.11263	1.8
128.90135	0.5
129.01959	0.7
131.03479	0.9
135.08226	0.5
137.09709	0.7
143.03519	0.5
145.05080	0.7
155.10751	0.7
159.11920	0.5
161.04616	2.4
163.11259	4.0
165.12862	3.1
171.10265	11.6
172.10641	0.7
177.12869	0.6
179.05519	0.9
181.12297	0.8
183.13899	2.2
191.10754	0.7
193.12361	0.9
197.11810	2.9
199.13379	0.8
201.11316	3.6
209.11821	100.0
210.12172	6.0
211.13390	10.7
212.13745	1.4
212.73999	0.5
221.11777	1.9
225.14981	0.9
227.12881	14.2
228.13217	0.6
229.14458	8.0
229.16557	0.9
235.08223	10.1
239.12917	1.5
253.09283	20.1
254.09621	1.0
291.19717	3.2
309.20737	8.3
310.21188	1.0
327.21753	53.8
328.22107	4.9
341.23285	4.7
342.23532	0.7
397.13660	1.6
445.20773	4.6
519.33185	1.2
537.34912	0.8
545.29266	2.7
563.30682	4.6
564.30890	1.1
655.29742	0.6
703.90613	0.6
755.43079	0.8
805.38293	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
58.00591	0.4
58.19767	0.2
59.01379	9.7
61.98538	0.4
61.98830	5.0
68.99551	0.5
69.03458	0.7
70.37713	0.7
71.01382	9.4
72.99318	1.0
73.02945	1.7
81.03437	0.5
83.01383	1.1
83.05024	0.8
85.02945	2.6
87.00879	2.4
88.98849	0.2
89.02445	9.0
91.04021	0.2
92.95299	0.2
95.01395	0.8
96.96040	1.0
97.02943	1.4
99.00884	0.5
99.04540	0.3
101.02442	7.5
101.03108	0.4
109.02944	0.3
111.04546	0.4
112.98563	0.3
113.02446	4.7
113.05427	0.2
116.92837	0.9
119.03511	2.0
121.02961	0.4
125.02445	3.3
129.09972	0.2
131.03421	0.3
133.65509	0.2
137.02466	0.3
139.04025	0.3
143.03516	1.3
153.09186	0.2
161.04547	2.2
163.11250	0.3
165.12819	0.4
167.03493	0.4
167.10753	0.3
167.14395	0.8
171.10266	0.9
177.01924	0.2
179.05605	2.5
181.12344	0.3
183.13895	8.1
184.14255	0.3
191.10464	0.2
193.12328	2.1
194.12585	0.2
197.11795	0.3
199.06107	0.2
203.03519	0.2
209.11827	4.9
211.13388	100.0
212.13733	6.3
217.07253	0.3
221.06639	0.8
225.11392	0.4
227.12880	0.5
235.08208	2.4
237.15030	0.2
240.52652	0.2
253.09317	0.9
253.14555	0.4
253.67459	0.2
259.08292	0.4
263.07828	0.3
287.07776	0.9
305.08725	0.8
307.19104	0.6
323.09857	0.9
325.20145	1.0
341.23334	0.5
379.12424	3.8
380.12949	0.3
387.25751	0.3
397.13498	21.3
398.13870	1.3
405.26608	0.5
415.14554	4.5
415.19818	0.5
429.21036	0.4
591.26508	4.5
592.27069	0.5
609.27643	6.5
610.27808	0.7
670.32916	0.2
731.15125	0.2
785.39600	1.8
786.39380	0.3
803.41516	0.9
804.43799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
59.01367	2.1
61.98831	25.4
63.96227	2.1
66.70516	0.7
69.03464	1.0
71.01379	9.5
73.02943	2.2
73.79029	0.6
75.00868	0.8
78.98581	5.0
79.95739	32.7
80.96519	76.5
81.03447	1.1
83.01386	0.8
83.04999	0.7
85.02953	4.0
87.00870	2.9
89.02414	0.9
92.09974	0.6
94.97485	1.1
94.98088	16.2
96.95993	1.7
97.02933	2.0
98.19863	1.2
99.00850	1.3
99.92574	1.1
101.02439	2.8
106.98108	5.0
113.02406	0.8
116.92870	7.3
116.98786	0.8
117.40054	0.6
117.74203	0.7
119.03483	0.7
120.00022	0.6
122.97633	3.7
125.02454	4.2
127.03969	1.2
134.97569	5.8
136.99141	2.4
148.99158	6.9
152.98663	6.3
159.86099	0.7
161.04544	1.3
163.11252	0.8
164.98627	12.0
167.00168	0.8
171.10274	0.9
183.13899	1.0
197.11725	0.7
206.99629	3.5
207.10159	1.1
209.11845	3.7
211.13406	9.6
212.13692	1.2
222.96605	0.6
225.00742	23.2
227.12895	0.9
241.00244	1.4
283.04941	1.7
309.20709	1.0
341.05417	1.4
355.06915	1.5
397.13474	2.1
415.14532	0.7
474.55710	0.9
509.16705	3.4
581.18652	1.0
665.28375	1.1
767.30798	0.8
785.37769	0.8
803.38940	100.0
804.39319	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	803.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.2
60.92262	0.1
61.84480	0.1
61.98538	0.2
61.98831	2.5
62.87829	0.1
63.99250	0.3
68.85077	0.1
70.90740	0.2
71.01382	0.3
76.67179	0.1
77.82721	0.1
78.95902	2.8
79.95737	3.7
85.02930	0.2
87.00888	0.2
94.98098	0.2
96.96013	100.0
96.96894	4.5
97.95941	0.2
101.02437	0.2
127.39164	0.1
128.03546	0.1
128.90208	0.2
129.01935	0.3
149.99570	0.2
178.02727	0.7
209.11797	0.5
211.13408	0.8
255.10114	0.2
284.06918	0.3
299.09238	5.0
300.09607	0.2
508.08813	0.1
526.93707	0.1
799.88007	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.3
59.01378	1.7
60.99313	0.5
67.01891	4.1
69.03455	0.3
71.01376	3.1
71.52038	0.3
73.02966	0.2
74.31380	0.3
78.73029	0.2
81.03464	0.9
83.01394	0.6
83.05036	0.8
85.02944	5.2
87.00890	0.9
93.03458	23.9
94.03795	0.6
96.96012	0.6
99.04534	0.3
101.02431	0.2
107.01376	0.3
109.02946	1.4
111.00880	0.9
111.04517	4.5
113.02427	0.3
117.03431	0.3
119.05033	19.3
120.05366	0.9
123.04515	0.5
125.02447	6.3
127.04028	0.7
129.01933	0.5
134.03685	0.2
135.04515	2.0
137.02446	4.0
137.03429	0.4
145.02966	1.3
147.02974	0.7
149.02470	1.0
151.00386	1.7
153.01894	1.3
155.03499	3.3
163.04004	19.1
164.04353	1.0
173.04543	100.0
174.04890	3.0
175.00414	0.5
175.04008	0.4
177.01901	1.1
178.99805	1.6
179.03511	2.3
181.01408	0.8
191.01961	1.2
191.05611	15.5
192.05930	0.3
199.04034	0.4
209.03065	0.4
217.05080	0.5
240.00365	0.2
243.06613	0.3
275.05548	1.4
278.39014	0.2
283.09595	0.3
285.04031	3.1
289.07263	0.3
293.06580	0.5
299.05542	0.3
303.05072	11.4
304.05447	0.9
322.81357	0.2
327.08783	1.0
337.05957	1.4
337.09277	40.0
338.09576	3.1
341.05231	0.6
343.07040	0.3
353.08737	2.3
449.10965	0.7
465.10110	1.7
466.10397	0.3
501.14078	0.6
514.01440	0.2
675.19885	0.4
728.83575	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
58.00591	0.2
59.01381	5.2
63.02403	1.2
65.00295	0.7
67.01891	0.2
68.99822	0.3
71.01382	5.0
72.99316	1.1
73.02951	0.5
75.00871	2.5
75.01305	0.1
77.91260	0.1
81.03461	0.1
83.01394	0.5
84.02163	0.3
85.02951	13.5
86.03290	0.2
87.00875	1.7
89.02441	1.0
93.03474	0.4
95.01389	4.0
95.05076	0.1
96.41750	0.1
98.19883	0.3
99.00880	4.7
99.04524	0.1
99.84571	0.1
101.02474	0.2
103.00362	1.9
105.03497	0.1
107.01382	1.4
111.00874	0.2
111.04519	0.2
113.02452	24.6
114.02790	0.6
115.00393	0.8
117.01956	1.3
117.03458	3.7
118.03825	0.1
121.02962	0.2
125.02472	0.3
129.01968	1.1
135.04561	0.2
139.00388	0.3
147.02948	0.1
149.02428	1.5
151.00345	1.2
151.07632	0.7
151.11536	0.1
155.05038	0.2
157.01399	0.3
159.04491	1.3
161.02429	0.7
163.03896	0.1
169.06584	0.6
171.04655	0.2
175.02470	13.6
176.02805	0.5
180.05818	0.2
181.06578	0.4
182.03682	0.1
182.96844	0.1
183.04506	0.7
195.04767	0.2
195.06618	2.4
196.05276	0.2
196.06978	0.2
197.06104	0.8
199.04002	0.2
201.05618	0.8
224.04720	0.2
225.05530	1.5
227.03499	0.5
229.11632	0.1
237.07780	1.0
241.05055	0.2
267.08838	0.1
268.03763	0.2
269.04535	100.0
270.04883	8.8
300.02701	0.1
311.05518	0.3
341.06647	0.1
348.97061	0.1
353.06308	0.1
357.11868	0.8
357.15543	0.1
369.15869	0.2
423.85950	0.1
445.07745	31.2
446.08087	3.7
497.43933	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	802.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70641	0.1
61.98829	100.0
62.98531	0.2
71.05859	0.3
80.96532	0.2
125.04405	0.1
127.73872	0.1
190.84378	0.1
194.32874	0.1
211.13449	0.2
213.14076	0.1
277.21820	0.4
278.22070	0.2
289.18265	0.2
311.55112	0.1
671.72107	0.1
803.42505	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55590	0.1
61.98828	100.0
62.48761	0.1
62.98531	0.2
71.01402	0.1
71.83640	0.1
78.95937	0.1
80.96513	0.1
92.76051	0.1
96.19459	0.1
99.92608	0.1
116.92860	1.1
117.92871	0.3
118.92709	0.1
147.83621	0.1
174.57793	0.1
209.11801	0.1
211.13391	0.5
212.13745	0.2
213.13930	0.1
226.08534	0.1
233.12650	0.1
253.09140	0.1
255.27597	0.1
309.20828	0.1
514.01135	0.1
703.73834	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	802.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98545	0.1
87.65100	0.1
95.97332	0.1
98.20646	0.2
99.66430	0.1
107.82336	0.1
138.40729	0.1
145.13559	0.1
160.75992	0.1
209.11789	0.1
211.21346	0.1
271.92493	0.1
803.38318	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	801.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	6.7
57.13403	2.1
58.00597	3.1
59.01381	55.3
59.73281	1.5
61.98832	23.7
65.03950	2.4
65.93472	1.7
66.52059	1.6
69.03431	3.6
70.43971	1.7
71.01379	53.6
71.05006	2.2
72.99308	6.1
73.02948	7.8
75.00850	2.1
81.03459	4.0
83.01388	5.9
83.05041	9.1
85.02932	14.8
85.06580	2.3
87.00877	10.1
89.02443	40.1
93.03436	2.1
95.01381	3.5
96.96040	3.3
97.02947	5.2
97.06602	4.9
98.19846	3.8
99.00882	2.3
101.02445	35.7
108.28053	2.0
109.06541	3.6
111.08172	4.5
113.02459	20.9
119.03506	9.5
123.08109	2.8
123.80289	1.7
125.02460	12.8
125.09729	17.3
126.90428	7.6
131.03465	3.2
133.06587	2.3
137.02441	2.9
137.09705	2.8
141.01968	2.0
143.03513	6.2
146.04573	2.6
160.49641	1.7
161.04497	6.4
166.44148	1.7
171.10287	49.2
172.10654	2.3
177.01790	2.0
179.05573	10.1
183.13914	3.6
187.09769	1.9
187.14919	2.0
205.15979	6.7
209.11853	22.0
210.11995	1.9
211.13394	25.6
215.14377	8.8
221.06645	7.2
221.15472	2.4
229.08411	2.3
231.13927	3.4
233.15480	47.9
234.15746	2.4
235.08273	5.6
235.13165	1.8
239.16560	2.1
243.66234	1.9
249.14952	23.5
251.16495	2.2
274.61517	2.0
287.77191	2.1
305.08966	3.1
331.26254	2.5
341.24719	6.5
347.62833	2.0
359.26044	3.4
367.22803	4.6
375.25311	4.3
379.12546	5.2
385.23773	22.7
393.26245	2.5
397.13409	26.0
398.13522	2.8
403.24893	40.7
404.25131	4.7
415.14340	3.7
421.25989	20.9
422.26215	3.0
549.91797	2.1
558.69873	2.2
576.34106	2.1
629.28455	3.3
722.67932	1.9
773.39856	2.8
783.38129	94.0
784.38544	24.4
801.39117	100.0
802.39386	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	801.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.0
58.29330	0.6
59.01383	3.2
61.98827	16.2
63.96231	1.2
69.03455	1.0
71.01382	9.7
71.53886	0.8
73.02935	2.3
78.98595	7.3
79.95280	1.2
79.95733	15.3
80.96517	84.5
81.03445	1.5
83.05036	1.3
85.02950	3.8
87.00861	2.8
92.27469	0.7
93.03391	0.8
94.97491	1.1
94.98083	18.8
96.95985	2.1
97.02915	3.0
99.00872	1.1
101.02432	3.1
106.98083	4.6
112.21809	0.6
113.02425	1.7
122.97578	4.5
125.02461	7.5
127.03999	1.5
131.13170	0.6
134.97562	5.6
136.99120	1.5
137.02408	0.7
148.99141	7.1
150.06882	4.0
152.98621	5.4
162.34851	0.6
163.07613	0.7
164.08347	0.9
164.98619	14.9
165.12831	0.8
177.01820	0.9
179.10747	2.4
206.99670	3.7
209.09921	0.9
209.11818	12.3
210.12141	3.0
211.13423	4.0
225.00729	28.3
226.01031	0.9
228.04581	0.7
247.29922	1.0
305.06644	1.1
305.53958	0.8
327.21707	1.1
397.13635	1.3
507.33072	1.4
541.19727	4.2
592.26245	0.9
669.38574	4.0
769.33636	1.4
783.38251	0.9
801.35699	100.0
802.36060	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	800.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52160	0.1
61.98830	100.0
62.98523	0.2
62.99265	0.2
71.01376	0.1
98.20741	0.2
149.86703	0.1
209.11908	0.2
210.12256	0.1
211.13316	0.1
229.53831	0.1
265.52588	0.1
326.92297	0.1
383.96295	0.1
396.95346	0.1
452.08835	0.1
712.93152	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	800.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
60.33733	0.2
61.98830	100.0
62.98542	0.2
67.45838	0.1
68.59854	0.1
71.01393	0.2
73.26466	0.1
80.96506	0.2
86.38844	0.1
98.19852	0.2
105.43313	0.1
116.92883	0.4
125.02530	0.2
209.11816	1.1
210.12227	0.5
211.13441	0.9
212.13834	0.4
253.09355	0.4
263.31656	0.1
291.19769	0.2
293.21347	0.8
294.21689	0.3
333.41492	0.1
801.37091	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.1
61.98831	100.0
62.98540	0.2
63.93922	0.1
68.96776	0.1
71.01414	0.2
76.08882	0.1
81.60989	0.1
98.19759	0.2
99.92613	0.1
116.16746	0.1
116.92875	0.2
137.04004	0.1
176.37021	0.1
197.11903	0.2
209.11800	0.7
210.12167	0.2
211.13419	1.2
212.13911	0.5
253.09351	0.2
291.19608	0.3
292.19833	0.2
293.21188	0.6
294.21585	0.2
309.20755	0.4
310.20963	0.3
316.00940	0.1
348.67453	0.1
425.96408	0.1
447.22781	0.1
671.02362	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01378	6.6
60.09343	0.3
61.98829	24.3
68.53572	0.3
69.03444	0.9
71.01380	4.2
71.40727	0.5
73.02940	0.8
80.02659	0.4
83.05024	1.0
85.02934	0.8
87.00876	0.8
88.63032	0.4
89.02444	3.0
97.02945	1.2
97.06552	0.6
101.02451	3.6
109.06593	0.5
111.08147	3.0
113.02454	1.6
113.09691	0.4
114.93426	1.3
116.92815	0.5
119.03474	1.1
137.09712	0.6
145.05067	0.4
151.11281	0.6
153.56660	0.4
161.04532	1.5
163.11261	0.8
165.12819	1.4
167.14375	0.5
169.12302	1.7
171.10222	0.8
179.05574	0.5
181.12279	1.0
183.13895	6.2
193.12320	1.5
197.11827	15.5
198.12186	1.3
199.13396	0.9
209.11819	10.7
209.13805	0.7
210.12212	0.7
211.13382	100.0
212.13727	6.3
227.12842	2.5
235.08211	6.0
235.16942	0.7
247.20692	0.9
253.09254	11.3
263.20157	0.9
273.18561	0.8
275.20139	0.7
291.19669	13.7
291.23007	0.7
292.20050	1.5
293.21155	8.1
294.21399	1.0
309.20700	35.4
310.21060	3.2
379.37900	0.4
447.22327	8.2
448.22562	1.0
503.33630	0.8
527.28381	0.9
545.29468	2.1
739.43335	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38760	0.4
57.67128	0.4
59.01379	16.9
60.99633	0.4
61.98829	1.5
63.96234	0.5
69.03448	0.6
71.01385	4.4
71.51669	0.7
73.02943	1.1
78.95908	0.4
78.98579	2.0
79.95741	4.7
80.96518	27.2
85.02951	1.4
87.00874	1.3
89.02428	1.4
89.08373	0.4
94.98090	5.6
96.95997	1.3
97.02942	0.5
101.02435	3.7
106.98083	1.3
113.02458	1.5
122.97552	0.8
125.02453	1.3
129.60020	0.4
134.97534	2.0
136.99149	0.7
148.99159	1.3
152.98622	2.2
161.04530	1.5
164.98625	3.8
167.10768	0.6
167.14398	0.6
171.10294	0.9
179.05574	0.8
183.13902	6.6
184.14227	0.5
193.12288	1.7
206.99663	0.5
209.11737	0.5
211.13391	100.0
212.13725	5.7
225.00774	6.6
226.01080	0.5
235.08121	2.1
253.09244	5.6
255.23323	0.7
277.21716	54.5
278.22067	4.6
400.36057	0.5
429.21295	1.5
447.22287	9.3
448.22559	0.6
453.14474	0.9
501.44910	0.5
513.30536	0.6
537.27576	0.5
707.43359	0.8
709.38306	17.4
710.38751	3.5
781.40350	3.9
782.41315	1.0
799.41577	8.4
800.41809	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	799.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.9
61.98830	23.7
68.70392	0.4
69.03452	1.1
71.01371	2.6
72.99319	0.5
73.02944	0.7
83.05046	0.5
85.02941	0.7
87.00866	0.8
87.06863	0.4
89.02450	2.2
97.02948	1.1
101.02451	2.9
111.08158	3.1
113.02475	1.1
116.92830	0.4
119.03498	0.7
125.09702	0.7
131.03673	0.4
137.09752	0.6
153.85928	0.4
161.04562	1.6
163.11299	0.8
165.12845	1.2
167.14476	0.5
169.12361	0.9
171.10291	1.4
179.05598	0.5
179.10820	0.4
181.12347	0.9
183.13890	6.6
184.14134	0.4
193.12372	1.4
195.13846	0.8
197.11836	18.3
198.12202	1.0
199.11734	0.4
199.13380	1.6
207.10480	0.5
209.11818	7.6
210.12108	0.6
211.13388	100.0
212.13713	7.0
223.13373	0.6
227.12895	3.0
229.00359	0.5
235.08218	5.8
247.20576	1.1
253.09280	12.9
254.09579	0.5
263.20099	0.9
265.18112	0.5
291.19647	16.3
292.19992	1.6
293.21210	7.1
309.20697	41.7
310.21097	3.9
433.20651	0.7
447.22385	7.6
448.22607	1.3
503.33981	0.6
515.46619	0.5
527.28406	1.1
545.30103	2.4
739.42487	0.8
831.37085	0.4
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
61.01489	0.1
61.98830	100.0
62.98538	0.1
70.76838	0.1
75.00860	0.2
80.96497	0.1
110.59695	0.1
116.92869	0.1
121.21906	0.1
125.02467	0.1
137.02414	0.1
201.11375	0.1
207.10222	0.1
209.11826	0.2
211.13376	0.5
212.13766	0.2
223.13365	0.1
224.13893	0.1
225.11432	0.2
229.03825	0.1
250.86183	0.1
270.97623	0.1
277.21649	0.4
293.21304	0.1
416.80350	0.1
438.25568	0.1
585.95892	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
59.01379	4.5
61.98824	6.6
69.03448	0.7
70.69453	0.6
70.69775	1.6
71.01385	2.5
73.02938	0.7
78.73315	0.6
80.02657	0.8
81.03459	0.8
83.01340	0.6
83.05031	3.4
84.02145	0.6
85.02924	0.8
89.02447	3.0
98.19883	0.6
101.02433	2.9
103.85109	0.6
105.16887	0.6
113.02436	1.4
114.79469	0.5
119.03488	0.9
121.45708	0.6
149.30954	0.6
161.04588	0.9
163.11305	3.6
165.12822	1.7
171.10225	1.7
179.05508	0.9
181.12209	0.7
183.13942	0.7
191.10667	0.8
191.94896	0.6
195.13931	6.5
195.63385	0.7
209.11815	100.0
210.12140	7.2
211.13376	6.8
212.13800	0.8
223.13393	5.8
227.12872	12.7
228.13475	0.8
235.08217	2.6
253.09248	20.5
256.13208	1.2
275.20120	6.3
291.19711	2.2
293.21216	93.0
294.21509	8.5
309.20609	1.0
344.82251	0.7
348.32996	0.5
373.43124	0.7
386.63876	0.7
445.20758	2.1
477.60107	0.7
492.21887	0.8
529.30139	2.4
809.00977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
60.99307	1.5
61.98829	0.9
70.95316	0.7
71.01385	1.4
72.99304	5.5
80.02685	0.6
81.03448	1.2
83.05030	3.6
84.02128	0.5
85.02952	0.6
86.42133	0.3
87.00904	0.5
88.98806	8.8
89.02444	1.5
89.99128	0.6
90.99223	0.4
91.00384	0.8
95.05042	0.4
99.14220	0.3
101.02438	1.4
105.01959	0.4
109.06599	0.5
113.02424	0.6
116.92867	0.5
120.81615	0.4
125.02486	0.8
125.06106	0.6
135.04480	0.4
135.08202	0.5
152.17552	0.3
161.04579	0.6
163.11302	2.7
165.12801	2.3
171.10274	0.7
179.05608	0.4
181.12447	0.5
191.10812	0.8
209.11821	100.0
210.12163	6.5
217.82770	0.4
227.12878	14.0
228.13170	0.8
235.08240	1.5
253.09290	4.5
254.09708	0.4
445.20810	5.9
446.21121	1.0
463.21658	0.7
592.29633	0.4
637.31903	1.6
798.38678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.4
60.36123	1.0
61.98819	4.5
65.47415	1.0
71.01396	3.4
71.51831	1.4
73.02962	1.5
78.08168	1.2
80.02689	1.4
81.03451	1.9
82.04232	0.9
83.05025	3.8
83.58716	0.9
89.02450	1.9
98.31871	1.0
98.72283	1.0
101.02441	3.3
111.08167	10.3
113.02460	1.6
125.02457	1.3
128.76973	1.2
161.04512	1.4
163.11320	1.6
165.06197	1.1
165.12865	2.9
167.10753	1.7
179.10840	2.0
195.13911	4.6
209.11826	73.7
210.12161	5.4
223.46693	1.1
227.12889	13.1
235.08253	3.0
247.20665	2.2
253.09303	9.7
273.18597	2.2
283.48520	1.3
291.19659	100.0
292.19977	9.2
326.59955	1.2
445.20847	2.2
527.28601	9.8
528.28802	1.5
657.00330	1.3
700.95459	1.4
719.40118	2.1
720.39752	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	795.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01381	11.8
60.30873	0.5
61.98830	2.0
62.52612	0.5
69.03445	1.4
71.01379	3.5
71.05009	0.8
73.02947	0.9
83.01387	0.7
85.02949	0.8
89.02448	2.8
95.05012	0.7
101.02438	3.5
113.02446	2.1
119.03517	0.9
125.98339	0.5
136.75922	0.6
149.09721	0.8
161.04555	2.1
161.13393	0.6
167.10818	2.7
171.10312	2.7
172.49438	0.6
179.05713	0.5
179.10780	1.7
179.14426	3.2
180.14682	0.6
195.13898	16.7
196.14362	1.2
201.11339	1.1
205.12331	9.5
206.12744	0.8
211.13512	0.8
221.31284	0.6
223.13390	100.0
224.13727	5.9
225.11472	0.9
225.14934	0.7
235.08205	4.8
249.33675	0.6
253.09290	18.5
256.13107	1.6
275.20209	5.8
277.21753	3.0
293.21225	82.0
294.21561	8.7
296.18628	0.5
349.16241	0.6
441.21332	0.8
446.71487	0.7
459.22336	16.8
459.28580	1.1
460.22507	1.5
499.34116	0.9
529.30170	3.5
530.30756	0.7
626.60657	0.6
735.43292	5.3
736.43506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53567	0.1
59.01366	0.2
59.86496	0.1
61.98830	1.1
66.30891	0.1
68.79616	0.1
71.20939	0.2
73.02931	0.9
78.12519	0.2
78.95921	0.2
79.74086	0.1
86.46996	0.1
90.31480	0.1
98.56403	0.1
99.92587	11.2
100.92596	0.7
100.93198	0.1
105.91959	0.1
114.93426	0.4
116.92861	100.0
116.97166	0.8
117.01934	1.6
117.92871	5.6
125.02412	0.3
135.50906	0.1
143.22401	0.1
167.03535	0.1
204.41652	0.1
209.11775	0.2
211.13406	0.2
305.06656	0.2
511.47372	0.2
742.28320	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	795.365
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	18.3
61.98838	0.3
64.41847	0.2
72.07448	0.2
75.65491	0.2
80.16883	0.2
80.56976	0.2
82.37646	0.2
84.15228	0.2
87.00877	4.0
88.00407	1.6
88.01203	0.3
88.98806	100.0
89.02444	5.3
89.03001	0.3
89.99139	1.2
100.99510	0.2
103.25811	0.2
104.17120	0.2
144.12355	0.2
178.81406	0.2
182.95485	0.2
192.67952	0.2
209.11832	2.6
210.12143	0.4
227.12836	0.4
269.86102	0.2
296.13354	0.2
310.78568	0.2
372.36948	0.2
613.12476	0.2
767.65570	0.2
795.35956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.7
67.01888	0.4
69.79662	1.7
69.80061	0.6
71.01390	0.8
73.02962	0.5
83.05027	0.7
83.99672	0.3
85.02955	3.9
87.00887	1.5
87.60844	0.4
93.03455	5.4
95.78664	0.4
111.04541	2.2
117.03411	0.4
119.05029	58.7
120.05370	2.6
127.03996	1.5
135.04517	0.5
137.02455	0.8
145.02917	0.9
152.61133	0.3
155.03510	3.0
163.04008	100.0
164.04364	4.8
167.54807	0.4
172.13286	0.4
173.04541	12.3
174.04884	0.4
179.23865	0.3
183.18979	0.3
191.05609	48.1
192.05966	1.9
203.83272	0.3
205.05185	0.4
239.10832	0.7
251.07219	0.4
252.43353	0.3
321.58087	0.4
335.84656	0.3
337.09277	64.5
338.09641	6.4
341.97559	0.4
441.42853	0.4
457.13348	3.8
458.13898	0.5
621.18237	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
57.54993	0.3
59.01386	1.5
60.51234	0.3
60.99309	0.7
67.01891	3.9
69.03452	0.5
69.49619	2.0
71.01382	3.5
73.02925	0.4
75.92165	0.4
81.03436	0.9
83.01405	0.3
83.05010	0.7
85.02948	3.3
87.00848	0.6
89.02448	0.3
93.03458	24.8
94.03804	0.5
95.01388	0.4
99.00883	0.8
109.02968	1.0
111.00898	1.2
111.04523	4.6
111.29695	0.3
113.02468	0.6
117.03488	0.4
119.05025	44.4
120.05372	2.1
125.02474	0.6
127.04012	1.1
137.02434	4.5
155.03479	3.2
163.04004	33.4
164.04346	1.4
169.01430	0.7
173.04539	100.0
174.04874	3.9
187.04147	0.3
191.01952	0.9
191.05608	12.3
192.05846	0.4
199.71472	0.3
205.05084	0.4
220.80444	0.4
226.08998	0.3
233.06572	0.3
240.72195	0.3
241.57376	0.3
247.79703	0.3
270.82401	0.3
273.28766	0.3
337.09268	34.5
338.09613	3.0
457.13495	41.2
458.13901	4.9
667.29034	0.3
718.42352	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75859	0.1
61.98829	0.1
68.42449	0.1
73.02943	1.3
84.15628	0.1
87.00867	0.1
99.00892	0.2
99.92583	11.4
100.92587	0.6
110.30335	0.1
114.93443	0.5
116.92860	100.0
117.01097	0.1
117.01935	2.2
117.92867	5.2
138.80804	0.1
144.59041	0.1
238.93491	0.1
421.04425	0.1
586.68353	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	793.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67984	0.1
59.01365	0.2
61.98812	0.3
65.92368	0.1
70.64069	0.2
73.02940	1.5
80.96495	0.2
82.53511	0.1
99.00867	0.2
99.92583	10.6
100.92596	0.6
114.93429	0.4
116.92860	100.0
116.97202	1.0
117.01936	3.0
117.92867	5.3
171.10254	0.1
188.02570	0.1
253.09218	0.1
277.21927	0.1
293.21381	0.1
309.20892	0.1
335.17596	0.1
404.06033	0.1
479.32477	0.1
577.42035	0.1
630.53326	0.1
793.52222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4414
Annotation	A 77003
Peak:m/z	Relative Intensity
59.01375	0.9
61.98841	1.2
63.96232	1.3
71.01381	9.2
73.02943	1.8
75.56581	0.5
78.98596	7.9
79.95737	14.8
80.96518	80.5
81.03456	1.6
82.96099	1.1
85.02952	2.5
87.00877	3.0
91.57493	0.6
94.98092	17.5
95.01376	0.6
96.96027	1.2
97.02925	1.9
98.20697	1.1
101.02444	2.3
106.98093	3.9
111.38546	0.6
112.90131	0.7
120.93082	0.5
122.97591	4.4
125.02441	3.2
134.05945	0.5
134.97583	5.8
136.99144	1.7
143.03510	0.6
148.99150	7.2
152.98615	6.8
153.73972	0.4
164.98622	16.5
167.00255	0.5
179.00218	0.5
206.99725	3.5
209.11819	2.0
225.00742	24.5
226.01115	1.2
229.12233	0.6
283.26401	1.5
455.18198	0.5
509.17035	4.0
565.30841	0.7
575.89252	0.7
793.44080	100.0
794.44342	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	793.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.2
55.94145	0.3
56.53614	0.2
57.03441	1.0
57.80459	0.3
59.01386	2.1
63.02392	0.6
65.00357	0.4
69.03456	0.9
70.05072	0.3
71.01383	2.8
71.53175	0.3
72.96685	0.2
72.99309	0.7
73.02947	0.3
75.00877	1.2
80.30070	0.3
83.01388	0.6
85.02956	3.3
87.00868	0.7
89.02436	0.7
95.01389	0.8
96.95999	1.1
99.00883	1.3
101.02438	0.4
103.00372	0.4
105.03439	0.4
107.01398	1.1
109.02966	0.5
110.78839	0.3
111.08175	0.3
113.02455	2.2
115.00438	0.4
117.01951	0.4
121.02939	0.4
125.02405	0.4
129.01944	4.4
133.02945	4.5
139.11284	1.8
147.03011	1.8
149.02420	1.1
151.00366	3.3
154.42879	0.2
175.02626	0.4
175.04001	2.0
177.01965	0.4
183.10217	3.6
183.19885	0.3
199.04007	1.5
200.24608	0.3
201.01909	0.6
205.45856	0.3
215.03477	0.4
217.05058	1.0
241.05029	0.6
241.95517	0.3
243.03014	0.5
257.04538	0.4
284.03290	0.6
285.04047	100.0
286.04410	8.6
297.04001	0.4
327.05084	1.2
331.13980	9.8
332.14371	0.7
357.06171	1.1
369.06259	0.4
461.07254	55.8
462.07645	8.1
462.14362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	24.9
69.35610	62.4
69.75191	7.5
74.22948	8.3
78.95870	7.6
117.43204	7.3
128.17245	7.2
182.35289	8.0
201.35248	9.5
209.11803	100.0
224.75298	8.6
227.12836	19.8
269.05936	10.3
277.21753	79.5
278.22052	12.3
290.79562	9.1
391.92056	9.3
434.15826	8.4
625.41327	8.7
791.42651	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.475
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98528	0.3
68.81478	0.1
69.90364	0.6
73.57648	0.1
79.30831	0.1
80.96510	0.9
88.24219	0.1
94.98104	0.2
99.41190	0.1
105.71932	0.1
196.89442	0.2
225.00752	0.2
432.78198	0.1
494.05420	0.2
534.85950	0.1
740.17358	0.2
755.60431	0.2
792.42676	1.1
793.44208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11899	2.0
56.07883	2.0
61.73476	1.9
69.58990	13.1
73.21261	2.2
77.08654	1.9
83.05042	3.1
94.80548	1.8
99.92576	2.9
101.02425	2.8
111.08128	2.0
113.02492	2.0
115.96991	1.9
116.92838	14.2
134.89461	5.2
137.31775	2.0
146.34595	2.1
163.11290	2.7
165.12936	2.9
197.11807	17.5
209.11827	100.0
210.12126	4.9
211.13356	4.3
227.12839	25.3
235.08217	5.1
253.09326	18.5
279.62344	2.2
291.19562	14.9
309.20691	59.0
310.21121	6.0
445.20636	7.3
545.29956	3.6
587.75269	2.3
631.97803	2.1
776.75928	2.4
791.39893	53.1
792.40063	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	791.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	7.0
61.98820	5.7
70.53201	7.3
71.01371	7.7
71.70171	2.4
75.00851	2.4
78.95902	3.6
87.00878	5.2
89.02405	2.5
98.20605	2.4
99.92547	7.2
101.02451	4.7
113.02457	2.6
116.92867	61.4
117.92878	4.9
125.02428	2.1
125.09705	3.0
140.40552	2.2
171.10269	25.8
172.08263	2.4
185.11736	3.5
199.09814	2.3
205.52934	2.2
209.11813	100.0
210.12102	5.4
211.13399	45.0
212.13742	3.2
227.12900	25.4
227.97878	2.3
228.13225	2.5
234.96376	2.6
235.08160	6.5
251.16536	3.1
253.09377	12.9
291.19659	58.4
292.19879	4.9
300.02744	2.3
309.20654	7.0
341.23325	3.8
445.20547	6.3
447.21899	2.7
527.28564	9.8
719.39795	8.5
737.40039	6.1
791.39746	51.0
792.40155	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	791.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.8
58.00584	0.8
59.01381	32.4
71.01007	0.9
71.01381	10.5
71.52599	0.7
73.02962	0.9
78.72096	0.5
83.01397	0.7
85.02957	3.1
87.00859	0.5
89.02446	8.6
93.03453	2.3
95.01382	1.0
95.05048	0.5
98.20039	0.5
101.02446	6.5
111.00859	1.5
113.02448	3.2
119.03522	3.0
119.05031	2.0
125.02437	0.9
137.02516	0.6
143.04572	0.7
161.04538	1.3
163.04004	1.2
163.11295	22.9
164.01205	0.6
164.11598	1.4
173.04570	5.3
177.01974	0.6
177.19041	0.4
191.05565	3.2
192.04372	0.7
192.05994	0.8
207.06639	2.0
207.10217	0.5
233.91974	0.6
306.07718	1.3
327.08743	1.2
329.09387	0.7
337.09399	1.4
387.16620	100.0
388.16904	9.3
457.13892	0.6
503.15063	0.8
569.22589	0.7
677.19843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	2.1
71.01403	0.2
73.02945	0.7
99.92583	12.3
100.92612	0.5
114.93414	2.0
116.92862	100.0
116.97205	0.5
117.01937	0.9
117.92871	5.5
163.89552	0.2
171.10341	0.2
195.75395	0.2
206.32481	0.2
209.11877	0.2
225.11349	0.4
253.09430	0.2
293.20932	0.3
461.20560	0.2
737.41132	0.3
791.39203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.317
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.6
70.78667	0.4
71.01361	0.2
72.99301	0.3
73.02948	0.6
75.00854	0.1
78.95901	0.3
88.98815	0.2
96.95970	0.3
99.92587	11.2
100.92596	0.5
114.93418	0.4
116.92863	100.0
117.01946	0.9
117.92871	5.5
128.64452	0.2
171.10280	0.1
184.66795	0.1
189.72617	0.2
199.13483	0.2
209.11743	0.9
210.12061	0.2
211.13441	0.2
227.12930	0.5
253.09338	0.2
272.22183	0.2
291.19751	0.2
293.21115	0.1
309.20822	0.3
419.14276	0.1
755.41864	0.2
791.40045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76255	3.8
59.01377	11.9
61.98823	9.2
71.01374	49.3
78.95911	6.7
87.00867	16.5
89.02436	6.3
95.01340	3.9
96.96013	31.3
98.95551	4.5
99.92577	6.3
101.02448	9.4
109.06541	5.9
114.93411	8.7
116.92863	47.2
127.11318	4.7
161.04533	4.1
163.11252	3.9
171.10272	50.9
183.13858	4.4
197.11841	18.8
199.09763	9.3
201.11259	7.6
207.10289	11.8
209.11816	90.3
210.12184	7.9
211.13406	24.6
227.12889	31.2
235.08195	7.2
237.20781	3.7
253.09248	30.3
289.18097	100.0
290.18539	4.8
291.19553	8.1
307.19067	7.6
309.20685	29.4
327.21707	9.3
343.24554	11.2
452.28116	4.7
475.39224	4.1
525.26910	12.0
588.24945	4.9
735.39587	5.8
789.38409	45.7
790.39246	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	791.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.5
59.01380	8.1
68.99788	0.9
69.03441	0.9
71.01381	9.0
72.99299	1.7
75.00870	3.9
85.02457	1.3
85.02950	20.7
85.40586	0.7
87.00844	3.9
89.02431	2.3
95.01395	5.5
99.00883	7.4
103.00362	2.2
111.00883	0.8
113.02451	36.3
115.00375	1.6
117.01946	2.3
121.70632	0.6
124.87294	0.6
125.99902	0.6
129.01935	1.1
130.67566	0.7
139.11263	0.8
141.62486	0.6
151.00336	0.9
157.01424	0.7
161.73615	0.6
175.02467	16.4
183.10233	2.7
256.03690	3.8
262.92749	0.7
284.03256	77.8
285.03595	6.2
299.05600	100.0
300.05902	7.9
305.84280	0.7
315.14392	0.8
339.02118	0.7
341.06757	0.8
371.07834	1.1
475.08783	68.8
476.09174	9.3
722.29437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.01369	6.7
71.52002	1.7
75.93406	1.1
77.69740	1.2
78.95896	3.6
83.04986	1.5
85.31973	1.3
121.15817	1.2
125.02469	2.0
135.08070	1.2
171.10252	4.6
181.12347	2.0
196.89433	3.0
207.10210	1.4
209.11784	24.4
210.12253	1.7
211.13391	1.4
227.12939	11.1
235.08189	2.4
253.09277	3.1
263.20105	3.3
289.18158	4.0
307.19107	11.2
315.19696	3.6
327.21613	2.3
327.56393	1.3
445.20691	4.0
543.28204	5.8
644.56738	1.6
724.20764	1.6
735.39819	2.0
753.39771	3.1
789.37323	6.9
790.37195	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	789.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75847	2.1
59.01372	3.7
61.47675	2.3
61.98831	29.8
63.20577	2.4
71.01387	5.1
78.95909	3.6
79.07607	2.2
80.96505	6.5
83.04995	4.5
88.98779	12.3
89.02454	3.4
96.95995	10.2
99.21597	2.2
101.02403	3.9
103.82486	2.2
113.02427	3.3
114.93435	16.6
116.92859	9.1
163.11194	2.3
171.10304	3.4
207.10204	3.0
209.11816	100.0
210.12131	6.7
227.12920	20.8
253.09262	8.4
289.18155	16.3
307.19119	23.2
309.20651	3.3
311.22223	7.4
402.64752	2.3
445.20609	5.7
637.31989	3.9
789.37915	39.0
790.38733	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	788.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98524	0.2
70.77998	0.3
71.01378	0.4
78.95919	0.4
79.95746	0.4
80.96520	2.1
92.25840	0.2
94.98106	0.4
110.15886	0.2
115.13575	0.1
116.92886	0.3
135.10313	0.1
164.98621	0.2
183.13969	0.2
209.11850	0.2
225.00787	0.4
266.00473	0.1
278.03955	0.1
279.23349	0.2
736.65442	0.2
788.39581	1.5
789.40045	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	789.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
57.03456	0.7
59.01381	60.9
60.01712	0.6
61.50011	0.2
65.00323	0.4
69.38831	0.9
69.39239	0.4
71.01383	5.7
72.99332	0.2
73.02941	1.9
81.03462	3.3
83.01383	1.7
85.02951	2.7
87.00834	0.2
89.02454	0.6
95.01404	0.6
98.19840	0.3
99.00900	1.0
99.08177	0.7
101.02441	3.7
101.06100	0.6
107.01408	0.4
113.02445	2.6
118.76425	0.2
119.03505	0.4
123.08158	1.6
125.02452	3.8
125.06081	3.2
136.05292	0.5
141.09213	0.4
142.59074	0.2
143.03490	0.2
147.08163	1.0
149.02438	0.4
150.06821	0.3
151.00389	1.0
152.01161	0.2
159.03029	0.7
161.04572	2.2
165.09209	19.5
166.09537	1.1
167.07161	0.2
191.07104	1.4
191.48918	0.2
205.08707	0.2
209.08185	100.0
210.08527	5.4
233.08237	0.5
251.09169	0.9
331.17621	4.4
332.17908	0.5
371.13449	17.7
372.13876	2.0
373.18652	4.1
374.19083	0.3
469.67160	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
58.00573	0.4
59.01378	4.3
61.98831	2.6
69.03433	0.5
69.66548	1.9
71.01377	3.8
71.53654	0.4
73.02946	0.8
80.02668	1.7
81.03451	1.0
83.01369	0.8
83.05031	4.0
84.02174	0.8
85.02955	1.1
87.00868	0.9
89.02443	3.3
95.05005	1.0
98.20699	0.4
101.02443	3.1
111.08157	6.2
112.98571	0.7
113.02457	1.6
114.40234	0.4
116.92859	0.8
119.03480	1.3
125.02448	0.5
125.06089	0.6
127.07663	0.6
135.08174	0.7
141.09207	0.4
151.11287	0.6
153.09116	0.4
153.12859	1.0
161.04539	1.5
163.11284	2.9
165.12885	2.4
169.12334	2.6
179.05629	0.6
181.12338	1.4
186.62495	0.4
191.10834	0.7
197.11829	27.7
198.12170	1.4
199.13382	1.6
209.11821	100.0
210.12158	6.7
211.13396	4.9
227.12891	13.3
228.13223	0.9
235.08199	4.1
253.09280	16.4
254.09630	0.8
263.20187	1.8
273.18594	0.7
287.25293	0.4
291.19662	11.3
292.20105	1.1
302.10382	0.4
309.20706	44.5
310.20944	3.5
317.91345	0.4
406.92947	0.4
433.20471	0.6
445.20847	2.4
501.32065	0.5
545.29364	1.8
787.40271	1.8
811.13519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48141	0.2
61.91966	0.1
61.98830	100.0
62.98545	0.2
71.09050	0.3
79.95744	0.5
80.96517	2.2
94.98090	0.4
98.10664	0.2
116.92879	0.2
118.92634	0.2
122.97543	0.2
149.16338	0.2
149.55783	0.1
164.98589	0.4
225.00783	0.5
277.21661	0.2
725.43347	0.2
788.39246	1.6
789.40930	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01377	3.4
61.98833	2.2
68.99828	0.3
69.03453	0.9
71.01383	3.9
72.02164	0.2
72.99281	0.5
73.02956	0.6
75.05631	0.2
78.95898	1.3
79.95725	1.5
80.02676	1.0
81.03455	1.3
83.01381	0.6
83.05033	4.7
84.02176	2.5
85.02946	1.6
87.00872	1.7
89.02446	2.3
95.01373	0.4
95.05027	0.7
96.96014	36.2
96.96889	1.3
97.02943	0.9
97.06584	4.4
98.19834	0.4
99.00869	0.3
99.04516	0.5
101.02446	3.1
113.02456	1.6
116.92883	1.3
118.11443	0.2
119.03506	0.9
119.08658	0.2
125.02486	0.3
125.06114	0.3
125.09718	0.8
126.90371	0.3
127.11246	0.3
128.90144	0.9
129.01930	1.0
135.08167	0.9
137.09738	0.7
141.29610	0.2
143.03473	0.3
145.05043	0.5
147.11789	0.3
151.11229	0.3
161.04579	1.8
163.11288	3.5
165.12866	2.5
171.10275	7.4
175.11261	0.3
179.05565	0.5
181.12305	0.5
191.10786	0.8
193.12341	4.6
194.12593	0.3
197.11804	0.5
197.15475	0.3
199.13460	0.4
207.10280	0.3
209.11823	100.0
210.12170	6.3
211.13391	1.6
221.11761	0.6
225.14955	8.8
226.15260	0.6
227.12880	10.9
228.13303	0.7
231.88408	0.3
235.08214	6.2
236.08585	0.4
243.16019	3.8
244.16417	0.4
253.09282	13.5
253.14507	0.8
254.09647	0.7
265.29330	0.2
282.59656	0.2
291.19571	1.2
305.21121	0.6
309.20697	0.3
323.22290	1.1
341.23315	57.8
342.23605	5.1
445.20883	2.5
463.21725	0.4
533.35046	1.9
534.35175	0.4
551.35815	0.5
559.31714	0.4
577.31934	1.4
692.27490	0.3
787.42542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.8
61.98820	1.5
69.03455	0.8
71.01378	3.3
71.15623	0.6
73.02956	0.8
77.90288	0.4
80.02678	1.2
81.03458	1.1
83.05024	4.5
84.02172	1.0
85.02928	1.0
87.00869	0.5
89.02451	2.6
95.05019	0.7
97.02977	1.9
101.02439	3.1
101.93679	0.3
111.08167	3.4
113.00910	0.3
113.02441	1.8
116.92875	0.5
119.03542	0.9
125.06093	0.5
131.03476	0.4
135.08179	0.7
137.09721	0.4
161.04541	1.3
163.11311	3.7
165.12845	3.0
169.12318	1.9
171.10272	1.4
179.05600	0.5
181.12402	0.7
191.10757	0.9
197.11833	16.9
198.12119	1.0
199.13406	1.6
207.10303	0.5
209.11819	100.0
210.12154	5.4
211.13359	3.3
227.12885	12.8
228.13200	0.6
235.08263	3.0
247.20737	1.6
253.09268	12.6
254.09621	0.9
263.08896	0.3
263.20154	1.0
273.18314	0.4
291.19669	16.9
292.20071	1.5
309.20700	41.8
310.21075	3.6
341.23398	0.4
433.20828	0.6
445.20776	2.1
501.33026	0.7
515.35974	0.4
527.28278	0.6
545.29779	1.2
639.54614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.3
57.03446	0.4
59.01379	4.1
61.98533	0.3
61.98830	3.5
63.99249	0.3
69.03461	1.1
71.01379	3.5
71.05011	0.2
72.99294	0.2
73.02928	0.9
78.95902	0.3
79.06143	0.1
80.02679	1.1
81.03454	1.2
83.01381	0.5
83.05023	5.4
83.87193	0.1
84.02176	1.6
85.02950	1.1
87.00874	1.2
87.04543	0.1
88.32414	0.1
89.02444	2.8
91.04013	0.2
93.03458	0.2
95.01385	0.4
95.05013	0.9
96.96010	7.7
96.96940	0.4
97.02956	0.5
97.06587	5.4
99.00837	0.2
99.04507	0.5
100.07803	0.1
101.02448	3.7
109.06575	0.4
111.08167	0.4
113.02457	1.7
116.92871	1.3
119.03482	1.2
119.08613	0.2
121.10213	0.2
123.08128	0.3
125.02443	0.6
125.06065	0.5
125.09724	1.1
127.11251	0.2
133.05070	0.3
135.08148	0.7
137.02444	0.2
137.09694	0.7
143.03476	0.3
145.05003	0.4
147.11853	0.2
149.13286	0.2
150.24861	0.2
151.11165	0.2
161.04530	1.8
163.09909	0.2
163.11284	3.8
165.12842	2.7
171.10260	4.8
175.11186	0.3
177.12856	0.2
179.05597	0.6
181.12302	0.8
183.13858	0.2
185.11848	0.4
191.10794	1.0
193.12329	7.3
194.12611	0.3
197.15411	0.3
199.13376	0.3
201.11420	0.2
207.10240	0.2
209.11818	100.0
210.12149	6.2
211.13397	1.9
221.11810	0.6
225.14946	9.1
226.15332	0.7
227.12877	11.1
228.13129	0.8
235.08234	6.0
236.08408	0.2
243.16002	4.2
253.09280	14.5
253.14523	0.5
254.09514	0.6
273.18518	0.3
291.19592	0.9
305.17929	0.2
305.21194	0.6
323.22296	1.0
341.23300	62.5
342.23645	6.4
445.20862	1.8
446.21103	0.3
463.21732	0.3
533.34772	2.4
534.35181	0.5
551.36011	0.6
559.31305	0.2
577.32410	1.7
578.32751	0.3
787.42480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	11.2
61.98831	100.0
71.01371	15.8
71.08480	11.4
71.08808	14.4
75.00849	10.4
77.15405	7.0
78.95901	29.7
103.00379	15.7
116.92883	13.6
121.79558	6.9
125.02422	11.0
152.99538	15.0
171.10248	12.5
183.13943	8.7
197.11850	12.1
207.10388	8.0
209.11880	12.6
211.13388	9.9
223.13425	17.4
309.20740	16.0
395.99490	7.3
396.90787	7.3
570.69061	8.6
787.40601	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	787.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.6
61.98829	100.0
62.98543	0.7
62.99284	0.4
63.96238	0.9
69.03434	0.5
71.01383	6.1
71.51550	0.6
73.02948	0.7
76.17069	0.4
77.82343	0.4
78.95930	0.9
78.98590	3.8
79.95734	8.5
80.96515	49.6
81.03452	0.8
85.02953	2.3
87.00883	1.7
93.19207	0.4
94.98090	11.4
94.98690	0.8
95.28883	0.4
96.96029	0.7
97.02961	0.7
101.02450	1.8
106.98094	2.1
113.02441	0.4
122.97588	2.0
125.02470	1.5
134.97606	3.2
136.99158	1.0
148.99104	3.9
152.98639	4.3
164.98622	8.6
171.51830	0.5
206.99670	1.5
209.11787	1.2
211.13448	0.5
225.00739	12.9
226.00951	0.7
277.21793	1.3
295.22818	0.5
403.33926	0.5
433.66971	0.4
509.17090	1.7
551.03186	0.4
559.25659	0.5
587.08960	0.5
600.70984	0.4
627.70654	0.5
713.24384	0.4
764.63696	0.5
787.39362	51.3
788.39801	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	787.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
60.00260	0.2
61.98827	2.0
71.01389	0.9
73.02946	0.9
78.95901	0.8
79.95744	0.5
80.02699	0.2
81.03458	0.2
83.01395	0.2
83.05016	0.9
84.02160	1.1
85.02960	0.4
87.00890	0.5
89.02442	0.8
95.05023	0.3
96.96013	18.7
96.96896	1.0
97.02961	0.4
97.06608	0.8
99.00862	0.3
99.04524	0.3
99.92583	11.2
100.92609	0.4
101.02436	0.5
111.08152	0.2
112.98602	0.3
113.02401	0.4
114.93416	0.5
116.92863	100.0
117.01957	1.3
117.92875	5.7
119.03407	0.2
125.09785	0.2
128.03603	0.2
128.90147	0.5
129.01913	0.4
129.99464	0.2
135.08203	0.2
161.04636	0.3
163.11292	0.7
165.12834	0.5
169.57576	0.2
171.10268	4.5
172.10655	0.3
191.10837	0.3
193.12381	1.0
197.11827	0.4
209.11824	21.0
210.12166	1.4
211.13454	0.6
214.75998	0.2
225.15041	1.0
227.12880	2.6
229.63744	0.3
235.08121	1.1
235.29604	0.1
243.16068	0.6
253.09250	3.7
254.09543	0.2
265.60721	0.2
291.19711	0.2
309.20798	0.2
341.23303	13.2
342.23788	1.0
371.92172	0.2
418.37207	0.2
445.20871	0.4
474.03833	0.2
533.34821	0.5
577.32227	0.3
586.34613	0.2
787.40540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03204	0.1
61.98829	100.0
62.05978	0.1
62.98536	0.3
78.95921	0.2
79.87487	0.1
80.96484	0.1
97.47624	0.1
98.19751	0.2
99.61638	0.1
131.71510	0.1
161.43323	0.1
209.11906	0.1
211.13524	0.2
212.13736	0.1
229.02954	0.1
293.21509	0.1
293.95898	0.1
312.66632	0.1
381.25192	0.1
683.72266	0.1
787.44122	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
58.00588	0.3
59.01376	2.2
60.81774	0.2
60.99305	0.8
67.01890	4.0
69.03449	0.8
69.18336	2.0
71.01379	2.9
72.99284	0.2
81.03457	0.7
83.01407	0.2
83.05024	0.6
84.16649	0.2
85.02956	1.7
87.00887	0.3
93.03457	24.0
94.03797	1.1
98.20693	0.5
99.00880	0.4
99.04531	0.3
101.02422	0.4
109.02966	1.0
111.00896	0.8
111.04520	4.1
113.02424	0.4
119.05026	10.5
120.05407	0.3
125.02455	0.5
127.03960	0.5
137.02446	3.6
149.02390	0.3
149.39487	0.2
153.01930	0.2
155.03502	3.9
162.03078	0.3
163.04007	15.5
164.04332	1.0
173.04543	100.0
174.04875	3.9
177.01775	0.2
187.04172	0.2
191.01938	0.7
191.05617	3.3
192.05923	0.2
225.67378	0.2
301.03500	0.3
314.73981	0.2
337.09271	32.1
338.09607	3.4
358.70993	0.2
387.16571	0.4
459.02994	0.2
463.08859	0.3
535.81152	0.2
625.14673	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.1
61.98828	100.0
62.05902	0.1
62.98535	0.2
70.74276	0.1
71.01392	0.1
73.87910	0.0
78.98605	0.1
79.95737	0.2
80.96513	1.2
94.98102	0.2
95.47868	0.0
101.02460	0.1
148.99159	0.1
152.98657	0.1
164.98640	0.1
165.98633	0.0
209.11847	0.2
210.12187	0.1
211.12456	0.1
225.00810	0.3
231.48557	0.0
273.49631	0.0
277.21600	0.1
278.22107	0.1
285.73563	0.0
402.85950	0.1
787.39215	1.3
787.52966	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98547	0.2
70.53133	0.1
70.53497	0.2
72.74057	0.1
78.95921	0.2
80.96526	0.1
106.23945	0.1
129.01941	0.1
150.21292	0.1
152.99661	0.1
178.25438	0.1
197.77110	0.1
209.11896	0.2
211.13405	0.2
212.13779	0.2
218.20442	0.1
293.21490	0.1
787.39746	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98526	0.1
70.49083	0.1
71.01392	0.1
71.35571	0.1
78.72852	0.1
78.98615	0.1
79.95750	0.1
80.96512	0.9
94.98105	0.1
134.97572	0.1
148.99261	0.1
163.97707	0.1
164.98653	0.2
209.11882	0.2
210.12076	0.1
225.00781	0.3
229.28769	0.1
277.21774	0.2
278.22098	0.1
394.12869	0.1
460.75690	0.1
787.39429	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.2
59.01392	0.3
61.98829	100.0
62.98537	0.1
71.01389	0.1
71.16758	0.1
71.17117	0.2
73.02945	0.1
78.95921	0.2
80.96505	0.1
85.02989	0.2
93.03458	0.1
96.96025	0.4
109.02977	0.1
119.05119	0.1
125.02481	0.6
125.29636	0.1
126.02766	0.1
131.78380	0.1
137.02483	0.3
165.01933	0.1
167.03514	0.2
177.01909	0.2
209.11871	0.5
210.12202	0.2
227.35698	0.1
250.16377	0.1
264.07916	0.1
305.06696	0.1
314.87216	0.1
601.56012	0.1
618.34186	0.1
786.33258	0.4
787.34845	0.2
815.66779	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81185	0.8
59.01376	5.6
59.43855	0.8
61.98830	72.5
62.98530	0.9
63.99262	0.9
65.31870	0.7
69.03471	0.9
71.01380	2.9
71.52029	0.9
74.51415	0.8
77.97588	0.8
87.00859	0.8
89.02438	2.3
95.01344	0.7
97.02940	1.0
101.02454	3.6
106.42508	0.8
111.08155	2.9
113.02430	1.9
116.92864	5.0
117.92860	2.4
118.92662	1.9
121.02958	12.5
153.12813	1.7
161.04500	1.8
163.11270	1.1
165.12849	1.0
169.12294	5.8
171.10240	1.7
179.05630	1.1
197.11819	100.0
198.12219	6.1
207.10257	1.0
209.04539	8.0
209.11786	7.0
211.13356	2.5
213.19159	0.8
223.13504	1.0
227.12970	1.6
235.08226	5.7
245.41309	0.8
247.20711	1.1
253.09274	10.3
273.18466	0.9
291.19662	12.4
292.20212	1.6
293.21277	4.8
309.20685	34.7
310.21042	3.6
433.20825	8.9
434.20956	1.3
545.29547	1.7
725.42285	1.2
785.42767	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	785.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.6
59.01379	3.0
63.02394	0.5
65.00314	1.0
71.01378	1.8
81.03461	2.6
83.01385	11.3
85.02953	0.5
89.02441	1.5
93.03454	0.2
95.01404	0.4
97.02943	0.3
98.19864	0.4
101.02450	0.8
101.06101	0.2
104.56394	0.2
105.03467	0.3
107.01406	1.4
108.02193	0.4
113.02455	0.7
119.03495	0.5
121.02933	1.4
123.04516	0.8
123.08136	0.3
125.02446	100.0
125.06063	7.0
126.02766	3.2
126.06354	0.3
133.45076	0.2
139.04051	0.5
147.08226	0.2
149.02438	8.6
151.00360	3.2
151.95164	0.2
152.01109	0.5
163.04012	0.3
165.01897	0.3
165.05594	0.5
165.09184	3.3
167.03487	3.8
169.01393	1.1
175.01843	0.2
177.01846	0.2
179.03508	0.4
191.07138	0.2
192.32216	0.2
193.01509	0.3
203.03490	1.5
204.04260	2.9
205.04701	0.2
209.08180	13.0
210.08533	0.7
233.08176	29.9
234.08536	2.3
239.12859	0.5
251.09225	25.1
252.09621	1.5
267.12305	0.3
279.28772	0.2
287.07715	4.8
288.08054	0.4
311.07751	0.6
313.05618	1.7
341.70908	0.2
371.13431	2.0
372.13876	0.3
413.14487	33.0
414.09772	0.2
414.14932	3.5
476.75925	0.2
626.05469	0.2
785.38220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43187	0.2
63.02393	0.4
65.00326	0.8
69.27606	0.7
69.28020	1.3
70.00151	0.2
71.01374	0.4
73.09990	0.2
83.01396	0.4
85.02975	0.4
93.03436	1.1
103.05569	1.1
107.01394	1.3
108.02212	0.8
109.02955	0.6
111.04524	1.0
119.01421	0.2
119.05006	0.5
121.02930	1.0
125.02434	0.3
135.00854	0.4
137.02487	0.2
147.04521	44.1
148.01685	0.6
148.04842	2.0
149.02426	0.3
150.99194	0.5
151.00366	7.0
152.00880	0.3
155.03499	1.0
163.00386	1.3
163.03873	0.3
164.01115	0.3
173.04614	1.7
178.99855	3.2
183.04482	0.3
199.03900	0.3
211.03813	0.2
215.03436	0.5
216.04294	0.4
226.02577	0.7
227.03500	1.4
229.04976	0.3
243.02989	5.5
244.03337	0.4
245.04575	0.6
254.02184	1.5
255.02975	14.5
256.03394	1.3
271.02466	32.9
272.02921	2.7
273.03909	0.4
283.02408	0.6
285.04013	1.6
286.04379	1.3
287.04593	0.9
299.01910	0.7
300.02731	72.2
301.03455	29.3
302.03812	2.1
321.09778	13.3
322.10257	1.2
461.07022	0.3
462.07516	0.6
463.08804	100.0
464.09094	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	784.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07994	0.1
57.15739	0.1
59.01368	0.1
61.98830	100.0
62.98542	0.1
71.01394	0.2
71.52467	0.1
77.78422	0.1
78.98619	0.1
79.95749	0.2
80.96523	0.9
82.11013	0.1
82.96087	0.1
84.46452	0.1
87.00900	0.1
94.98083	0.2
98.34246	0.1
125.02454	0.1
148.88676	0.1
148.99139	0.1
173.66096	0.1
199.13382	0.1
209.11787	1.2
209.42838	0.1
210.12257	0.5
225.00847	0.3
227.12950	0.2
253.09364	0.2
277.21729	1.0
278.22089	0.6
294.69330	0.1
587.19794	0.1
784.42285	1.0
785.42352	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27637	0.1
61.64018	0.1
61.98830	100.0
62.98538	0.2
66.34029	0.1
71.01393	0.2
77.27815	0.1
88.98820	0.1
96.96049	0.3
116.92838	0.1
125.02478	0.1
126.16013	0.1
126.90493	0.6
165.64604	0.1
171.10358	0.1
183.35945	0.1
209.11887	0.4
210.12306	0.1
211.13429	0.3
213.13983	0.1
260.94870	0.1
294.28143	0.1
411.09369	0.1
465.71713	0.1
599.84271	0.1
785.40710	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.7
61.98828	6.4
63.85636	0.5
71.01379	2.3
71.52918	0.7
78.95899	0.6
83.05022	0.6
85.02949	1.0
86.66392	0.5
87.00869	1.1
89.02445	2.3
99.00867	0.6
101.02452	3.4
107.33105	0.5
113.02454	1.6
119.03522	1.0
120.61079	0.4
122.00174	0.5
161.04512	0.9
163.11320	0.6
167.10764	0.7
167.14462	0.6
183.13885	5.1
193.12315	1.3
195.13899	4.0
209.11864	3.8
211.13383	100.0
212.13721	6.3
223.13383	2.8
227.12886	0.6
228.13557	0.7
235.08218	4.9
253.09277	14.2
256.13181	1.1
258.65411	0.5
275.20184	5.3
276.20578	0.7
277.21704	3.7
293.21219	65.9
294.21548	5.3
447.22443	9.5
448.22598	1.6
487.34222	1.1
529.30219	2.5
686.35297	0.7
717.24670	0.7
723.43573	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98540	0.2
68.04588	0.1
71.01402	0.1
72.99293	0.1
75.00882	0.2
88.98829	0.3
113.82194	0.1
125.02464	0.2
133.90039	0.1
165.01895	0.1
209.11923	0.4
210.12216	0.2
243.03258	0.1
273.17163	0.1
274.17453	0.1
275.17822	0.1
304.30566	0.1
558.82629	0.1
782.36786	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	783.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36118	0.2
57.03431	0.6
59.01374	2.1
60.41509	0.2
63.02395	0.6
65.00323	0.6
67.01894	0.5
71.01379	3.0
72.99289	0.3
73.02943	0.3
75.00874	0.8
76.54608	0.2
81.03417	0.3
83.01383	0.7
85.02951	4.0
87.00889	1.1
89.02437	0.5
93.03458	1.3
95.01379	0.9
99.00876	1.2
101.02438	0.3
103.00365	0.7
105.03448	0.4
107.01404	1.9
109.02956	0.7
111.04548	0.4
113.02451	3.4
115.00375	0.4
117.01917	0.3
117.03486	0.4
119.05022	1.0
121.02941	0.6
125.02406	0.6
129.01955	0.3
133.02940	4.0
143.05032	0.3
145.03050	0.2
147.02950	0.2
147.03282	0.3
147.04517	3.2
148.04822	0.3
149.02461	1.4
151.00363	5.5
155.03476	0.2
159.04546	0.2
163.03975	0.9
173.04555	3.8
175.02455	1.3
175.03998	1.4
177.01923	0.4
185.06026	0.4
191.05580	1.4
197.06067	0.3
198.03264	0.3
199.03938	1.5
201.01860	0.3
213.05638	0.6
215.03510	0.5
217.05055	1.1
229.58450	0.2
235.66492	0.2
237.09174	0.6
237.75252	0.2
239.03563	0.2
241.05141	0.7
243.02963	0.6
256.85239	0.2
257.04477	0.2
263.07068	0.5
267.02945	0.4
269.04538	6.3
270.04861	0.8
284.03253	0.5
285.04034	100.0
286.04376	8.5
297.04028	0.5
303.10236	0.3
305.08334	0.2
321.09772	0.4
327.05115	1.1
337.09201	0.9
355.04153	0.3
357.06088	1.0
360.06049	0.2
369.06256	0.2
381.06180	0.3
389.10495	1.4
415.08215	0.4
433.09161	0.5
445.07678	0.7
461.07242	51.3
462.07571	7.0
493.64035	0.2
607.14392	1.0
609.12787	0.4
650.34344	0.3
652.35419	0.4
783.17456	1.0
784.19824	0.3
807.29242	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4416
Annotation	lugdunin
Peak:m/z	Relative Intensity
54.78744	0.7
59.85844	0.7
61.98807	1.3
63.91985	0.8
63.96236	2.4
67.41863	0.8
71.01385	8.0
71.51817	0.9
71.52169	0.9
73.02947	1.6
74.38661	0.8
78.95909	1.2
78.98585	7.0
79.95735	15.0
80.96519	79.3
81.03467	0.9
82.96109	2.3
85.02960	3.5
87.00888	1.9
88.17957	0.8
94.98085	18.5
96.79105	0.8
96.96015	2.6
97.02930	0.8
98.64756	0.7
99.00900	0.8
101.02426	2.6
106.98090	3.5
116.92902	0.9
122.97569	5.2
125.02441	4.1
131.54167	0.7
134.97598	6.3
136.99124	1.6
148.99123	7.3
152.98611	6.9
164.98631	15.7
206.99678	3.1
211.13368	1.6
225.00766	19.8
226.01059	1.7
255.23297	2.4
525.20154	2.7
537.27332	2.6
550.19800	0.8
763.39075	1.0
781.43921	100.0
782.44238	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.5
61.94534	0.8
61.96323	0.7
61.98581	0.6
61.98831	7.1
71.01373	2.6
71.52133	1.2
73.02947	0.9
73.35257	0.7
78.98563	0.7
79.95735	2.1
80.96513	9.8
81.98372	0.7
83.04977	0.8
85.02940	1.1
87.00862	1.2
94.68383	0.7
94.98064	2.1
97.02956	3.7
99.00874	6.9
101.02433	3.3
101.05253	0.8
103.44833	0.7
109.06551	0.7
109.76209	0.7
112.54687	0.8
113.02428	1.9
125.02410	0.8
125.09701	1.8
134.97578	1.1
137.14227	0.7
141.83618	0.7
142.02773	1.2
143.12817	0.8
161.04535	1.6
163.11301	4.8
164.98605	1.6
179.05415	0.8
181.12315	7.2
207.10251	23.9
208.10612	1.6
213.21742	0.9
225.00734	3.1
225.11308	51.3
226.11623	3.3
235.08185	2.3
243.12360	6.7
244.12616	0.9
253.09221	3.6
277.21710	100.0
278.22046	8.9
344.45200	0.9
443.19058	4.0
461.20224	6.3
513.30499	0.9
721.41693	22.8
722.42365	5.2
781.40515	11.9
782.40491	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	781.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79733	0.4
61.98536	0.7
61.98829	9.9
63.96242	0.6
65.66855	0.4
71.00483	0.8
71.00814	0.6
71.01376	2.0
78.95905	48.3
78.98596	1.7
79.95725	4.2
80.02680	1.3
80.96519	20.0
81.03455	1.6
83.05023	4.1
84.02159	1.2
85.02961	1.1
87.00876	0.6
94.98094	4.4
95.05003	0.5
96.96001	0.5
96.96967	10.1
97.02965	0.8
101.02422	0.9
105.30403	0.5
106.98058	1.1
108.77869	0.4
122.97612	0.8
125.02436	1.1
134.97565	1.3
135.08139	0.9
137.88246	0.4
148.99133	1.8
152.98573	1.5
152.99577	9.6
156.03581	0.5
163.11273	3.3
164.44157	0.4
164.98601	3.8
165.12804	2.0
172.01027	0.4
191.10713	1.0
207.54141	0.5
209.11818	41.3
210.12183	2.6
223.00127	2.4
225.00740	7.6
227.12862	3.1
241.01183	21.8
255.23288	24.8
255.25441	0.4
256.23627	2.2
259.02112	2.2
363.12265	1.2
390.65640	0.5
391.22501	1.3
395.25735	0.5
460.21738	0.5
525.17316	0.9
537.27026	0.6
553.27899	1.0
571.28937	1.1
763.39355	4.1
764.39679	1.4
781.41205	100.0
782.41589	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	781.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00714	0.5
59.01379	3.1
60.99298	1.1
61.98835	3.7
66.25164	0.5
68.32080	0.5
71.01379	2.2
72.99305	1.1
73.02937	0.6
75.00871	0.5
80.02677	0.6
81.03433	0.9
83.05018	3.7
85.02939	0.6
87.00868	1.4
88.98807	4.1
89.02476	2.4
101.02441	3.2
106.68406	0.5
108.02631	0.5
110.09558	0.5
113.02463	0.8
121.94448	0.6
122.97635	0.5
125.06026	0.6
129.01875	0.5
133.05110	0.5
135.08177	0.6
143.03503	0.5
145.05101	0.6
147.84637	0.7
161.04556	1.2
163.11258	3.7
165.12865	2.2
167.14517	0.7
179.05547	0.6
183.13904	5.5
184.14168	0.8
191.10826	0.8
193.12238	1.2
209.11821	95.3
210.12132	6.8
211.13388	100.0
212.13739	6.0
227.12871	14.3
228.13203	0.8
229.08113	0.6
235.08202	3.0
238.82390	0.5
253.09300	5.8
318.51816	0.6
415.32819	0.5
429.21249	1.7
445.20743	6.4
447.22351	10.2
448.22678	1.8
463.22012	0.7
484.51407	0.5
614.74286	0.5
621.33099	1.8
639.34088	4.5
640.34308	0.8
657.34839	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.405
Annotation	Withanoside VI
Peak:m/z	Relative Intensity
57.86442	0.8
61.98817	3.6
63.96237	1.1
70.99596	1.1
70.99921	1.2
71.01383	9.7
73.02932	2.2
78.95909	6.8
78.98586	8.0
79.95737	18.8
80.96516	95.1
82.96111	1.5
83.01414	1.1
85.02937	4.3
87.00883	4.1
94.98089	19.8
96.96008	2.2
96.96937	1.0
97.02939	1.6
101.02440	3.1
106.98074	3.9
122.97552	3.7
125.02451	4.0
134.97575	6.8
136.99117	2.7
148.99120	9.3
152.98602	9.6
152.99620	1.5
164.98615	16.3
188.98622	1.0
196.58287	0.8
206.99626	3.8
209.11833	5.5
225.00732	29.5
226.00946	1.2
234.23233	0.9
241.01160	3.5
255.23305	4.3
480.81027	1.1
481.13376	1.0
507.15341	2.0
522.92297	0.8
525.16376	1.7
537.27167	2.2
630.14203	0.9
763.39459	32.8
764.39514	8.7
781.40497	100.0
782.40796	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	779.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40174	0.8
59.01375	6.2
61.98825	3.1
65.99065	0.8
71.01380	2.4
71.50789	0.8
71.51948	1.1
75.00872	78.8
78.95970	0.9
79.86061	0.7
89.02441	2.5
89.66615	0.8
101.02446	1.4
103.00374	100.0
103.04001	1.4
104.00686	1.6
104.03529	1.3
125.02477	1.2
146.69397	0.8
148.01027	0.8
153.11476	0.8
179.05580	1.1
209.11807	1.2
222.94565	0.7
235.08163	1.1
277.21646	5.6
397.13522	10.5
415.14511	3.5
653.29230	0.9
685.69366	1.0
691.04950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52818	0.2
57.03451	0.2
59.01368	1.0
65.00336	0.5
69.45979	0.8
69.46389	0.4
71.01360	0.2
81.03456	2.3
83.01388	0.6
89.97233	0.2
93.03441	0.3
99.08156	0.3
101.06117	0.4
107.01348	0.3
120.38506	0.2
123.08176	1.4
125.02437	3.7
125.06075	2.3
126.02776	0.2
132.85661	0.2
136.05312	0.4
141.09233	0.2
147.08191	0.7
149.02458	0.4
149.04527	0.3
151.00362	0.8
152.18268	0.2
163.96341	0.2
165.09207	18.6
166.09476	1.1
173.04532	0.4
191.03720	0.2
191.07169	1.5
205.08774	0.3
209.08182	100.0
210.08519	6.5
218.41000	0.2
233.08269	0.3
251.09184	0.7
371.13437	40.2
372.13779	3.6
407.11118	4.0
408.11273	0.4
480.74420	0.2
510.44019	0.2
588.21173	0.2
723.78699	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.2
61.98839	3.7
62.03022	0.5
71.01379	2.2
71.53150	0.7
72.00917	0.7
75.00872	73.1
76.01238	0.6
89.02454	2.0
101.02471	2.6
103.00374	100.0
103.03992	2.6
104.00682	1.8
104.03537	1.4
105.01933	1.2
106.20847	0.6
113.02447	1.2
119.03513	0.7
125.02393	1.1
140.73311	0.6
174.08069	0.6
235.08167	0.8
254.37578	0.6
277.21716	4.3
397.13550	10.1
398.13809	1.0
415.14529	1.9
455.84415	0.7
514.92963	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30909	4.0
61.98828	10.7
66.65192	3.9
71.01382	5.4
81.27530	3.9
125.02476	5.3
129.08412	4.5
153.12753	4.4
199.13408	11.9
201.11324	24.0
207.10277	5.0
209.11838	59.3
227.12872	62.9
235.08186	10.8
253.09215	14.4
273.76791	4.5
277.21695	100.0
278.22076	10.0
308.97443	4.2
445.20660	11.2
463.21417	19.9
513.30475	9.5
697.41168	6.4
723.43317	32.6
724.42950	11.9
777.42047	35.9
778.41956	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	775.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07280	0.1
61.98830	100.0
62.98534	0.1
70.17983	0.3
70.18342	0.1
75.82503	0.1
77.50486	0.1
78.59471	0.1
118.76752	0.1
130.00163	0.1
238.12378	0.1
288.30225	0.1
423.36969	0.1
442.73318	0.1
519.97760	0.1
694.51990	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.3
61.65149	0.5
61.98829	0.8
69.33608	3.7
71.01376	1.1
73.01610	0.5
75.00871	69.3
76.01235	0.7
83.05040	1.1
88.98823	0.5
89.02449	0.7
91.52549	0.5
98.20715	1.0
101.02460	1.0
102.01956	0.5
103.00372	100.0
103.03985	1.3
104.00709	1.6
104.03494	0.8
112.80127	0.5
125.02444	1.1
163.11301	1.2
165.12865	0.6
170.90971	0.5
171.10315	0.6
177.02048	0.5
209.11815	46.3
210.12202	3.1
210.19810	0.5
227.12881	8.6
235.08290	0.9
253.09262	2.5
289.56091	0.5
397.13034	0.6
445.20557	1.0
594.00391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90163	12.3
61.98830	100.0
70.37294	37.6
74.54179	9.9
74.76808	11.0
78.95900	30.2
92.57423	10.9
134.91878	10.6
170.62213	10.9
193.37169	10.2
194.13937	11.5
196.89465	22.7
266.24048	12.0
277.21823	19.5
387.07227	12.1
608.24420	12.5
794.37152	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	775.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	45.7
62.42863	8.3
70.99554	21.0
78.95897	29.7
96.96019	78.8
109.04268	7.7
116.92857	27.0
152.99519	15.3
197.11842	15.5
209.11818	24.6
211.13416	100.0
253.09167	13.7
254.34671	9.2
291.19601	18.7
293.21194	35.1
301.05984	9.1
309.20868	66.4
349.04810	10.0
433.21072	12.4
447.22324	13.9
479.46277	11.1
545.29724	10.6
628.29028	9.2
720.21472	9.5
739.42554	22.4
775.39636	50.4
776.41370	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	775.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38110	8.1
59.42334	8.0
61.98546	8.9
61.98832	58.6
73.33349	8.3
78.95885	15.8
79.76340	9.4
88.98766	9.6
96.96022	16.7
97.54666	8.8
116.92888	26.1
163.69327	11.4
186.23112	9.5
197.11832	13.1
209.11856	22.8
211.13359	100.0
251.43265	8.3
253.09210	9.7
274.04166	8.9
291.19638	19.6
295.22845	11.1
309.20691	48.1
404.46280	8.6
491.81253	11.0
545.29724	10.7
775.40735	46.9
776.40912	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	775.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81254	0.1
57.31154	0.1
59.01372	0.2
61.98829	0.4
73.02944	2.0
87.00868	0.1
89.02485	0.1
96.96041	0.2
99.00875	0.2
99.92585	10.9
100.92605	0.5
100.93226	0.1
106.88979	0.1
113.02460	0.1
114.93409	0.4
116.92863	100.0
116.97224	0.8
117.01104	0.2
117.01939	3.3
117.92869	5.4
125.02419	0.1
131.91582	0.1
171.10265	0.2
183.13889	0.1
197.11867	0.1
201.11354	0.4
209.11794	1.0
210.12144	0.4
211.13483	0.2
223.13480	0.1
227.12889	0.2
229.06958	0.1
234.62697	0.1
239.85251	0.1
253.09236	0.2
309.20395	0.1
310.21075	0.2
325.19394	0.1
398.93381	0.1
404.04675	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.65008	0.2
57.03451	1.2
58.00598	0.3
59.01378	4.5
61.97457	0.2
61.98824	0.8
64.58628	0.3
69.03437	1.1
71.01377	3.2
71.05016	0.3
73.02955	0.9
80.02678	1.0
81.03446	0.8
83.01393	0.8
83.05026	4.4
84.02172	0.7
85.02953	5.9
87.00874	1.0
89.02443	3.0
92.86301	0.2
93.03472	0.3
95.01385	0.6
95.05050	0.8
96.96017	2.7
97.02964	1.0
97.06580	1.5
99.00918	0.2
99.92650	0.2
101.02442	4.3
106.08838	0.2
109.06609	0.2
110.03700	0.2
111.08225	0.3
113.02437	2.0
116.05630	0.2
116.92859	2.2
119.03508	1.1
119.08714	0.3
123.58144	0.2
125.02454	0.7
125.06058	0.4
125.09699	0.8
127.11283	0.9
131.03540	0.3
133.05098	0.2
135.08138	0.5
137.09735	1.4
140.14246	0.2
143.03482	0.8
145.05072	0.6
153.31410	0.2
155.10767	0.5
157.05144	0.4
161.04536	2.4
163.11301	3.5
164.11609	0.3
165.12848	2.5
167.14510	0.3
171.10266	15.3
172.10619	0.6
177.12889	0.5
179.05646	0.7
181.12337	0.8
183.13895	1.9
185.11812	0.4
191.10710	0.8
193.12277	0.4
199.13356	0.4
201.11311	0.7
209.11821	100.0
210.12163	5.7
211.13382	8.1
212.13710	0.4
221.11789	1.5
227.12875	12.9
228.13161	0.8
229.14420	6.2
230.14822	0.3
235.08214	9.1
236.08586	0.3
239.12866	1.3
253.09279	18.8
254.09619	1.2
257.13681	0.3
291.19681	2.8
292.20108	0.4
309.20718	8.5
310.21091	0.7
327.21750	60.4
328.22110	6.5
363.39612	0.2
445.20721	2.3
446.21063	0.4
463.21976	0.4
519.33051	1.3
537.34448	0.5
545.29730	1.8
546.30322	0.3
563.30682	3.6
564.30823	0.5
630.06549	0.3
755.43091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
59.01383	3.6
61.98834	1.1
70.67363	0.6
71.01379	4.3
73.66767	0.6
73.81164	0.6
78.95898	3.1
80.02663	0.9
83.05027	4.3
84.02168	0.6
85.02971	1.0
89.02438	2.5
95.05014	0.8
96.96938	0.7
101.02420	2.9
109.06571	0.9
113.02438	1.7
113.18447	0.7
125.02476	0.9
141.23093	0.6
152.99525	1.5
158.39804	0.6
161.04529	1.6
163.11285	3.8
165.12862	1.7
171.10281	2.6
179.05550	0.8
181.12347	0.9
195.13879	5.7
197.11676	0.7
205.12164	0.6
207.10139	1.0
209.11818	100.0
210.12148	6.7
211.13402	2.5
223.13399	3.6
225.11366	0.8
227.12877	13.8
231.21193	0.6
235.08287	2.3
253.09264	18.7
254.09547	0.8
275.20169	7.0
291.19690	0.9
293.21213	78.9
294.21518	8.7
309.20700	1.5
325.24091	0.7
327.21558	1.3
406.53522	0.7
445.20612	2.3
484.58472	0.7
485.32727	1.0
503.33969	0.7
529.29919	1.8
550.93439	0.7
670.35596	0.6
771.41266	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	773.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
57.03447	12.0
59.01374	7.0
69.86362	3.3
71.01373	9.5
72.99313	1.7
75.00867	3.0
83.01375	3.5
84.02168	3.2
85.02948	100.0
86.03281	1.7
87.00859	1.5
89.02452	2.2
96.96010	14.0
101.02472	1.1
103.00352	2.1
108.02177	17.0
109.02959	7.6
111.00885	5.7
113.02375	0.8
115.00352	1.2
119.05018	3.4
120.73281	0.8
129.01965	7.0
133.01439	1.8
147.03006	12.2
151.04028	1.5
152.01149	38.5
153.01619	1.9
153.50186	0.8
156.96622	0.9
163.04001	3.8
173.00896	2.1
191.01970	58.3
192.02310	1.0
196.96024	0.7
209.03024	81.9
210.03271	3.8
241.07167	2.2
241.86888	0.8
247.86002	0.8
337.05524	1.4
355.06677	31.5
356.07080	2.2
388.82837	0.9
417.10367	73.7
418.10678	7.9
707.21118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71777	2.2
59.01387	3.1
61.98845	4.1
71.01378	5.6
71.53115	3.7
76.32450	2.4
78.95911	9.7
83.05005	5.0
96.96021	9.9
111.08150	2.5
117.60958	2.1
140.36290	2.3
163.33772	2.3
169.12341	3.6
193.24258	2.7
209.11829	100.0
210.12141	17.8
224.13658	3.4
227.12862	24.0
228.13242	3.8
253.09294	9.0
291.19666	51.5
292.20108	5.2
293.21176	5.9
294.21515	10.1
295.21805	4.4
315.19556	12.8
319.78180	2.8
345.15945	2.5
445.20746	9.4
527.28906	5.6
529.39996	2.7
618.01056	2.8
719.40240	11.3
737.40930	6.4
773.39526	19.2
774.38855	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	771.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	15.8
59.46286	10.2
61.98821	40.6
71.01375	100.0
71.06207	18.0
71.06556	14.9
73.22952	10.6
78.95902	58.8
86.82169	10.3
101.02413	15.9
109.06577	13.5
114.50226	10.7
116.92885	16.0
118.44150	10.9
118.57349	11.1
121.60568	11.6
125.02458	11.4
132.38893	12.1
133.79149	15.6
152.99600	17.0
155.11378	11.6
171.10228	46.9
197.11728	19.3
201.11340	19.5
207.10298	27.1
209.11813	19.2
223.13321	46.2
225.11224	21.9
249.52155	11.0
253.09312	13.3
291.19647	26.1
293.21234	50.6
309.20486	26.2
331.51135	13.0
381.66849	10.5
440.34875	11.7
459.22690	16.4
536.02417	12.3
735.42291	23.9
771.41943	90.3
772.42792	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
57.03441	0.9
58.00597	0.2
59.01381	3.3
61.98831	9.1
69.03453	0.8
71.01376	3.3
71.05016	1.4
71.15749	0.3
72.99318	0.4
73.02934	0.8
80.02672	1.8
81.03456	1.8
83.01392	0.6
83.05026	5.3
83.05491	0.5
84.02165	1.0
85.02955	1.2
85.06574	0.3
87.00862	0.7
87.04523	0.5
89.02452	2.2
90.94648	0.2
91.05538	0.5
93.03449	0.4
93.07107	0.3
95.01337	0.3
95.05040	1.1
96.96014	1.1
97.02950	1.0
97.06586	1.3
98.19984	0.3
101.02442	3.1
107.05032	0.4
108.16367	0.2
109.06589	5.8
111.04533	0.4
111.08160	0.4
113.02463	2.2
114.93446	0.3
115.07661	0.4
116.92841	0.4
119.03523	0.7
123.08145	0.3
125.02439	0.7
125.06081	1.1
125.09731	0.6
127.07662	1.3
131.03502	0.3
135.08163	0.7
137.09665	0.3
151.11249	0.4
153.09203	1.4
160.32976	0.2
161.04553	1.4
163.11284	3.7
165.12810	2.4
169.12346	1.4
171.10254	3.4
178.10034	0.4
179.05577	0.4
181.12361	1.4
183.13931	0.5
185.11769	0.6
191.10745	1.1
191.14349	0.4
193.12311	0.7
197.11832	11.2
198.12172	0.8
199.13403	1.4
201.11269	0.7
207.10297	0.6
209.11819	100.0
210.10069	0.4
210.12143	7.1
211.13380	7.4
212.13699	0.7
219.13963	0.3
225.11322	0.6
227.12881	12.4
228.13211	1.0
235.08241	3.3
235.13405	2.2
237.14931	1.4
239.12895	0.3
245.19017	0.5
249.14885	0.5
251.16148	0.3
253.09279	12.1
254.09650	0.7
289.18082	3.9
289.21024	0.3
307.15594	0.4
307.19144	7.2
308.19495	0.6
309.20929	0.3
325.20187	31.5
326.20511	2.8
341.57477	0.2
445.20697	1.9
446.21378	0.2
463.22183	0.3
516.26703	0.3
517.31311	0.3
525.27094	0.4
525.79279	0.2
543.28015	1.8
544.28717	0.3
561.29279	1.8
562.29468	0.4
684.33838	0.4
735.39484	0.7
753.41022	1.1
771.43408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.0
57.95755	0.5
59.01378	1.4
61.98856	0.5
63.30297	0.6
65.00320	1.5
67.01892	1.0
69.50068	3.3
71.01373	2.5
83.01399	1.5
85.02939	3.1
93.03448	6.9
94.03791	1.7
107.01372	2.6
108.02176	1.8
109.02965	1.5
111.00957	0.5
111.04508	0.8
112.04834	0.7
119.05016	1.2
121.02955	1.4
125.02451	1.7
127.75542	0.6
134.03728	3.3
135.00879	0.8
135.04053	0.7
137.02417	1.2
148.01622	1.2
151.00363	10.7
152.00832	0.5
155.03439	1.7
163.00403	1.3
163.03989	1.9
164.01041	0.9
173.04541	24.3
173.06052	1.2
174.04892	5.6
175.05019	1.8
178.99864	6.4
191.01991	1.6
191.05592	1.9
193.05019	2.4
194.05367	1.2
199.03941	1.3
206.08199	1.4
211.03920	0.7
215.03535	1.4
216.04239	0.7
223.04599	1.4
226.02728	1.4
227.03456	3.3
243.02960	12.0
243.20546	0.5
244.03346	1.1
254.02388	2.8
255.00246	0.9
255.02968	26.0
256.03308	2.3
271.02463	59.8
272.02914	6.7
273.04129	0.8
283.02380	0.6
299.01965	4.0
300.02728	100.0
301.03348	18.3
302.03888	0.9
367.10135	4.5
368.10574	2.4
369.11392	2.8
591.14001	0.8
609.14777	1.4
771.19849	61.8
772.20111	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	771.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80972	0.1
61.98829	5.6
63.99255	0.2
70.71090	0.3
78.95905	4.4
79.95736	3.8
80.96517	0.4
85.02982	0.1
85.41406	0.1
94.98082	0.4
96.96014	100.0
96.96906	5.3
97.95966	0.4
113.92615	0.1
114.93403	0.2
116.92864	0.2
119.05040	0.3
125.02407	0.1
145.02922	0.5
209.11800	0.7
213.94444	0.1
223.32280	0.1
299.50586	0.1
447.23935	0.3
483.15494	0.1
501.59207	0.1
510.62500	0.1
771.34515	0.4
794.11755	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.4
59.01373	0.9
61.98825	0.6
63.02401	0.6
65.00344	1.8
67.01892	0.8
71.01387	1.3
71.52767	0.3
71.53127	0.4
73.02959	0.3
83.01394	1.4
85.02948	2.1
87.00860	0.4
89.02490	0.4
93.03455	4.2
94.03795	0.7
101.02438	0.5
107.01397	3.9
108.02164	2.0
109.02962	0.7
109.17162	0.3
111.00896	0.5
111.04479	0.7
113.02490	0.6
119.05000	0.6
121.02947	1.5
125.02438	1.1
134.03726	2.1
135.00885	1.0
135.04044	0.8
137.02408	1.2
148.01654	1.9
149.06129	0.5
150.03180	0.4
151.00366	11.1
155.03508	0.8
156.03731	0.4
160.55421	0.3
161.02530	0.4
163.00377	1.7
163.03989	1.6
164.01128	0.7
164.07144	0.6
167.03410	0.4
169.01576	0.5
171.04555	0.4
173.04543	15.2
174.04887	3.0
175.05063	2.0
178.99855	6.1
180.00302	0.4
187.03920	0.4
189.05556	0.5
191.01979	0.9
191.05608	2.0
192.00607	0.4
193.01382	0.4
193.04987	1.8
194.05305	0.7
198.03151	0.6
199.03964	1.6
200.04526	0.3
203.03568	0.6
206.08240	0.8
209.02951	0.5
211.04012	0.7
215.03455	0.9
216.04266	0.4
223.04562	1.0
226.02684	2.2
227.03468	3.0
229.04910	0.5
232.94522	0.3
243.02968	12.4
244.03351	0.8
254.02176	2.4
255.02969	28.2
256.00882	0.4
256.03378	2.4
271.02466	63.8
272.02869	6.5
273.04047	0.5
299.01950	3.7
300.02734	100.0
301.03336	20.2
302.03876	1.1
325.03625	0.4
367.10364	2.3
368.10565	1.6
369.11255	1.6
387.16373	0.6
591.13495	0.4
609.13983	0.4
771.19843	60.1
772.20221	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	770.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91282	0.1
56.16665	0.2
60.77927	0.2
61.98831	100.0
71.51712	0.2
78.95920	0.2
80.96529	0.5
88.76714	0.2
105.18325	0.2
106.99857	0.2
127.34278	0.2
137.76755	0.2
211.13426	0.4
212.13739	0.4
225.00833	0.2
360.11203	0.2
387.46179	0.2
403.12878	0.2
597.25708	0.2
771.40930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1988
Annotation	Quercetin 3-glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
57.42426	0.3
59.01370	0.6
59.91002	0.3
65.00018	0.3
65.00337	0.8
65.59032	0.3
66.30077	0.3
70.56977	0.6
80.93733	0.4
83.01388	0.5
85.02952	0.5
93.03442	0.4
107.01402	1.1
109.02986	0.5
119.05083	0.4
133.02972	0.6
143.04959	0.4
147.00890	0.4
151.00363	3.4
161.02473	0.4
163.04004	0.5
171.04463	0.6
175.00421	0.4
175.04015	0.5
178.99890	0.7
185.17548	0.3
187.04016	0.4
191.05542	0.6
199.03993	2.8
201.01968	0.6
215.03523	1.3
226.02647	0.7
227.03574	2.4
242.02235	0.3
243.02985	4.0
255.02866	1.8
271.02466	52.5
272.02805	4.2
291.54785	0.3
299.01953	100.0
300.02521	17.5
301.03503	8.7
302.03970	0.7
325.03699	0.4
353.08978	0.4
462.08038	23.0
463.08588	4.4
609.14581	9.1
610.15076	1.2
771.19855	59.1
772.20197	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	770.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72404	0.2
54.15725	0.2
60.13671	0.2
61.98829	100.0
62.98531	0.3
70.46214	0.2
78.95914	0.4
78.98607	0.2
79.76060	0.2
80.96525	0.8
98.19814	0.4
105.17008	0.2
188.13173	0.2
209.11813	0.2
229.08015	0.3
649.35461	0.2
771.40485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96749	0.5
57.17971	0.6
59.01389	8.0
61.98820	4.0
69.03456	0.7
71.01379	4.8
71.13113	0.6
71.52583	0.6
78.95885	1.2
83.05032	0.8
83.32532	0.6
85.02956	1.1
89.02445	1.9
101.02440	2.1
113.02425	1.5
114.93405	2.7
115.00372	0.8
125.02453	1.4
153.12926	1.4
161.04501	1.0
169.12355	6.4
171.10211	1.0
179.05545	0.7
179.10655	0.9
195.13904	5.0
197.11833	100.0
198.12184	5.8
207.10226	0.7
209.11832	3.0
211.13403	1.3
223.13339	3.0
227.12985	0.9
235.08224	4.2
253.09300	13.7
255.23199	1.6
262.62827	0.6
275.20068	4.4
277.21777	1.2
289.17975	0.7
291.19662	1.4
293.21240	58.2
294.21500	5.9
433.20776	8.5
434.21106	1.1
473.32822	1.3
529.29730	1.6
643.33752	0.7
709.41125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78424	0.2
57.03443	0.6
58.00581	0.2
59.01384	1.4
60.99305	0.4
61.98811	0.2
64.11886	0.2
65.62758	0.2
67.01890	3.6
69.03452	0.9
70.82342	0.4
71.01381	2.5
72.69102	0.2
72.76221	0.1
72.99279	0.2
81.03478	0.9
83.01398	0.2
83.05014	0.5
85.02940	1.3
87.00881	0.5
89.03981	0.2
93.03458	21.7
94.03813	0.6
95.01385	0.2
99.04539	0.2
103.63468	0.2
109.02962	0.8
111.00906	0.9
111.04526	4.0
111.05243	0.3
112.04842	0.3
113.02447	0.4
117.03433	0.9
127.04013	0.8
134.03743	18.6
135.04106	0.7
137.01459	0.3
137.02451	3.8
139.00365	0.3
149.06064	1.8
155.03497	3.6
160.01770	0.2
173.04543	100.0
174.04884	3.5
178.02637	0.2
191.05612	5.4
193.05048	12.6
194.05374	0.5
199.02339	0.2
238.61682	0.2
264.63245	0.2
305.65976	0.1
367.10315	27.9
368.10678	2.7
405.10077	0.2
411.37448	0.2
441.21317	0.2
473.36246	0.2
473.74237	0.2
751.68921	0.2
778.73102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.5
59.01375	0.5
61.98832	9.4
63.96218	0.9
68.27830	0.6
69.03437	0.6
69.49325	2.1
69.49736	2.0
71.01382	8.3
72.99306	0.6
73.02940	1.5
78.98589	6.4
79.95738	12.2
80.96516	73.0
81.03424	0.7
83.01388	0.7
85.02955	3.2
87.00861	2.6
94.98082	15.9
96.95996	1.8
97.02932	1.5
101.02426	2.5
102.05607	0.5
106.98090	3.7
122.97565	3.4
125.02486	3.7
127.03984	0.7
134.97591	5.9
136.99136	1.5
148.99132	7.4
152.98653	6.7
160.90434	0.6
164.98625	12.4
167.00266	0.9
197.01570	0.6
206.99689	3.2
209.11824	3.2
225.00729	27.0
226.01163	0.8
231.55574	0.7
283.04922	1.1
293.21384	0.6
354.64719	0.6
509.16782	3.3
541.19653	1.9
557.41534	0.7
737.29877	0.9
769.33167	100.0
770.33496	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	769.2192
Annotation	Isorhamnetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)glucoside
Peak:m/z	Relative Intensity
54.09749	0.7
54.18618	0.8
59.01363	2.8
60.60649	0.6
63.02385	1.2
70.30821	0.7
71.01374	2.2
73.02937	1.0
83.01387	1.4
85.02946	1.5
101.02423	1.4
102.91175	0.8
107.01363	2.4
121.02907	0.8
145.02893	1.7
148.01674	0.9
151.00349	7.5
155.04959	1.0
159.04489	1.0
171.04465	1.5
178.99863	2.1
183.04506	2.0
187.04005	0.9
199.03995	8.2
201.01857	1.6
203.03511	1.2
215.03462	3.8
216.04086	1.2
227.03484	6.8
228.03825	0.7
239.03584	0.9
242.02208	5.5
243.02972	37.2
244.03394	2.3
255.02988	17.6
255.05452	1.5
256.03448	1.2
257.04562	5.1
270.01721	5.5
271.02475	50.6
272.02872	4.1
281.08154	1.1
285.04019	13.4
286.04785	4.7
287.05460	1.8
297.17047	0.7
299.01962	93.6
300.02539	22.3
313.03629	2.0
314.04309	82.2
315.05005	30.0
316.05466	2.3
326.11398	0.9
327.12256	1.3
329.14008	1.6
341.13947	1.6
461.07272	1.8
476.16684	1.6
479.96362	0.9
485.18201	0.8
491.19360	15.2
492.19559	2.5
503.19174	10.4
504.19528	2.2
521.20551	3.7
533.20135	3.3
545.20135	2.6
563.21094	1.0
769.21924	100.0
770.22266	23.7
770.36151	1.4
791.26929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98525	0.1
68.57702	0.1
69.17812	1.0
78.64319	0.1
99.90272	0.1
100.67418	0.1
109.92976	0.1
242.11121	0.1
267.29956	0.1
683.88910	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	768.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90980	0.7
55.01883	2.0
55.71904	0.6
57.03463	1.0
58.00610	0.8
59.01379	12.2
63.79464	0.7
69.80653	0.7
70.02995	2.0
71.01382	16.5
71.53622	1.0
72.00923	0.8
72.99310	0.8
73.02945	6.7
83.01389	4.9
83.05030	2.2
85.02953	12.5
86.00130	0.9
86.02469	4.0
87.00879	1.9
87.78728	0.6
88.04050	0.7
89.02472	2.5
93.03489	1.4
95.01407	2.1
96.08191	1.0
98.02480	1.6
99.00900	3.1
101.02444	17.2
102.98644	1.0
108.08243	1.1
111.00886	3.6
112.80989	0.7
113.02435	6.6
119.03520	0.6
119.05058	1.9
124.07646	4.8
125.02455	2.4
126.09293	1.5
128.90164	0.7
129.01962	1.8
136.07678	1.5
137.02475	1.1
140.07332	0.6
149.04500	1.4
154.08693	1.4
159.03026	1.8
161.04556	1.9
163.04082	0.9
163.20930	0.8
167.03528	0.9
173.04517	5.2
191.05621	1.8
218.02489	0.7
237.18633	1.6
257.21243	4.9
269.04456	1.5
270.04770	0.9
271.19205	1.6
285.04141	0.8
285.20496	0.8
302.23230	3.3
303.21817	1.5
328.25085	1.6
344.24402	2.5
382.29504	3.5
412.30331	0.8
419.26514	3.3
430.31616	2.7
447.26117	5.8
464.28641	0.9
465.26923	4.3
506.29660	2.7
544.34668	1.0
592.37115	1.2
636.35980	100.0
637.36456	18.3
673.54517	0.7
768.40192	72.8
769.27747	1.4
769.40631	16.3
769.53796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
61.98809	0.4
63.96232	1.4
69.03449	0.5
70.07658	1.5
71.01374	7.1
73.02955	1.4
78.98590	4.7
79.95729	10.7
80.96513	62.4
81.03451	0.9
81.19263	0.3
83.01379	0.4
86.81091	0.4
87.00867	2.2
93.97358	0.4
94.98080	14.1
95.01369	0.7
96.96015	1.0
97.02935	1.3
99.00882	0.7
101.02435	2.0
102.31412	0.4
106.98080	3.6
122.97569	3.1
125.02431	3.0
127.04001	0.7
130.79790	0.4
134.97577	5.5
136.99110	1.4
146.97481	0.6
148.99115	6.1
152.98619	5.3
164.92740	0.3
164.98613	12.9
167.00128	0.5
194.70210	0.3
206.99664	3.0
209.11792	1.4
223.42987	0.3
225.00722	22.5
226.01033	0.8
248.37985	0.5
255.23239	1.5
283.04971	0.7
483.24982	0.3
509.16879	3.9
510.17239	0.4
537.27313	1.2
765.40930	100.0
766.41309	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	765.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.4
59.01377	0.5
61.98835	0.6
63.96251	1.0
69.03460	0.6
70.63034	0.8
71.01382	6.9
73.02952	1.9
78.95890	0.4
78.98589	6.7
79.95733	12.7
80.96516	66.1
81.03471	1.1
87.00874	2.7
94.98087	16.1
95.01450	0.5
96.96011	1.7
97.02956	1.2
99.00883	0.6
101.02406	2.4
106.98098	3.2
113.02444	0.8
122.97607	3.8
125.02432	2.9
127.04009	0.7
134.97580	4.7
136.99153	1.7
139.25578	0.4
146.97562	0.4
148.99133	6.3
152.98634	5.7
164.97331	0.8
164.98636	11.9
180.82640	0.4
188.98604	0.4
206.99677	3.6
209.11781	1.5
225.00748	21.9
226.01103	0.8
229.95100	0.4
243.01886	0.4
255.23271	1.1
283.04855	0.8
375.08002	0.4
392.27023	0.4
472.75192	0.4
485.20364	0.4
502.31473	0.5
509.16983	2.9
537.27155	1.2
765.40942	100.0
766.41290	21.7
782.15997	0.4
796.11047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64861	0.5
59.01374	1.6
60.69072	0.5
63.96227	1.6
69.03449	0.6
71.01376	9.6
73.02940	2.5
78.16573	0.4
78.95912	1.1
78.98585	7.5
79.95737	13.5
79.96213	0.8
80.32156	0.5
80.96516	87.3
81.03443	0.5
82.83878	0.5
83.01355	0.6
87.00872	3.2
94.98085	19.7
96.96031	1.3
97.02979	2.3
99.00888	0.6
101.02460	2.2
106.98107	3.8
113.02448	0.7
122.97593	4.0
125.02403	3.3
127.03994	1.5
134.97568	6.7
136.99144	2.0
148.99136	7.7
152.98622	7.9
164.98631	15.6
179.00201	0.6
183.13855	3.6
188.98634	0.8
206.99681	3.3
217.22154	0.5
225.00737	27.9
226.01074	0.8
255.23274	2.5
259.84546	0.5
509.16959	3.3
510.18204	0.6
537.27289	2.0
765.40997	100.0
766.41302	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
60.53630	0.1
60.99309	16.7
61.98825	0.8
71.01362	0.2
71.37068	0.3
72.99328	0.2
80.96527	0.2
81.43391	0.1
82.98708	0.1
85.58635	0.1
87.00880	4.6
88.00404	2.4
88.01210	0.6
88.98808	100.0
89.02442	13.5
89.99141	1.2
92.97144	0.2
116.92842	0.2
117.60928	0.2
192.78186	0.2
204.80803	0.2
219.75758	0.1
277.21811	0.5
360.60312	0.2
397.13403	1.3
415.14496	0.3
440.09479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45860	0.4
59.01372	1.4
60.58252	0.4
61.98829	0.5
71.01387	1.1
72.99265	0.6
80.02702	0.8
81.03444	1.1
82.15288	0.4
83.05038	2.8
88.98814	1.0
89.02444	1.2
95.05036	0.7
101.02409	1.0
111.16721	0.4
113.02461	0.5
135.04025	0.4
135.08142	0.7
139.07597	0.4
161.04625	0.5
163.11328	2.7
165.12831	1.8
171.10222	0.7
177.40935	0.4
181.12320	0.9
191.10765	0.6
209.11824	100.0
210.12164	6.6
227.12881	15.2
227.52368	0.4
228.13086	0.5
235.08205	1.4
240.65788	0.4
247.13635	0.4
253.09261	4.0
383.97617	0.4
392.36084	0.4
445.20859	3.3
546.63104	0.5
637.32245	1.1
655.32861	0.5
762.07666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64993	0.2
59.01357	0.3
60.99307	17.0
61.98832	1.4
71.01384	0.5
71.07629	0.5
72.14635	0.2
87.00873	3.2
88.00406	2.3
88.01225	0.3
88.98808	100.0
89.02445	11.8
89.99142	0.9
90.79111	0.2
128.27440	0.2
153.53084	0.3
209.11812	0.3
277.21860	0.4
397.13489	1.0
442.40381	0.3
458.04074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14632	0.1
54.43306	0.1
58.78212	0.1
59.30229	0.1
61.98831	100.0
62.58281	0.1
62.98532	0.2
63.96235	0.2
71.01393	0.7
71.28931	0.2
73.02964	0.2
78.98604	0.6
78.99007	0.1
79.95736	1.1
80.96515	6.8
87.00894	0.2
88.39108	0.1
89.32735	0.1
94.98090	1.5
96.96014	0.2
97.02986	0.1
101.02454	0.3
106.98090	0.4
122.97579	0.3
125.02434	0.3
134.97575	0.5
136.99100	0.1
148.99126	0.7
152.98607	0.7
164.98607	1.2
180.57524	0.1
184.05836	0.1
206.99686	0.3
209.11803	0.3
219.07906	0.1
225.00728	2.4
235.79965	0.1
255.23375	0.3
470.95981	0.1
494.16766	0.1
509.16724	0.4
516.62793	0.1
537.27106	0.1
539.69489	0.1
764.39447	0.2
765.40991	12.6
768.52002	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40104	0.2
59.01369	0.3
60.07753	0.2
60.99313	1.2
61.98831	100.0
66.07676	0.2
66.91697	0.2
71.52380	0.3
75.58011	0.2
87.00889	0.7
88.00415	0.8
88.98808	6.5
89.02457	0.6
125.02404	0.2
152.99638	0.3
171.10309	0.7
172.10672	0.4
211.13275	0.2
233.18764	0.2
275.62231	0.2
502.28085	0.2
789.35352	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67501	0.2
61.98829	100.0
62.98543	0.2
67.16898	0.2
80.96517	0.2
90.63734	0.2
116.86582	0.2
137.14140	0.2
255.22614	0.2
258.75949	0.2
297.14127	0.2
529.03058	0.2
742.07355	0.2
763.40045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.339
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	17.8
69.63457	0.5
69.63879	0.8
71.40597	0.2
72.81971	0.2
87.00881	2.6
88.00393	1.0
88.01214	0.4
88.98809	100.0
89.02450	4.0
89.99140	1.2
103.58843	0.2
149.35628	0.2
209.11821	3.6
210.12172	0.5
212.85831	0.2
227.12871	0.6
253.09319	0.3
384.83231	0.2
761.24670	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18423	0.1
59.01385	0.2
61.98830	100.0
69.39585	0.1
72.99339	0.2
75.00877	0.7
87.48555	0.1
87.79179	0.1
88.98820	0.7
99.08581	0.1
113.02370	0.2
116.92834	0.2
121.07445	0.1
125.02491	0.4
126.64272	0.1
161.74605	0.2
197.11897	0.2
209.11890	0.7
210.12173	0.3
211.13493	0.5
353.60962	0.2
433.54996	0.2
689.74585	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	761.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	1.8
63.96230	2.7
71.01379	10.8
73.02942	1.6
78.95902	2.5
78.98574	4.9
79.95732	15.2
80.96516	85.5
85.02940	4.7
87.00842	2.7
94.98089	18.1
96.95977	2.2
97.02944	1.4
101.02421	3.3
106.98070	3.6
122.97574	4.0
125.02415	2.2
127.03980	1.2
134.97556	4.2
135.84734	1.1
136.99071	2.1
148.99126	8.2
152.98637	7.3
164.98640	13.8
196.89365	1.3
206.99626	3.9
209.17329	1.2
225.00720	21.4
255.23282	2.1
301.30780	1.0
330.25064	1.1
373.80121	1.2
452.62219	1.2
505.17245	2.3
537.27094	1.9
678.19550	1.1
761.41370	100.0
762.41785	22.9
776.72656	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	761.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.6
61.98816	1.5
63.14952	0.6
71.00303	0.8
71.00640	1.1
71.01383	2.9
77.60581	0.5
79.32281	0.6
83.05016	2.0
87.00831	0.8
89.02455	0.9
93.27672	0.6
94.11538	0.8
101.02438	1.9
113.02442	1.4
125.06056	0.7
163.11258	2.6
165.12811	1.1
173.55229	0.6
209.11819	60.6
210.12152	3.7
227.12900	4.8
228.13248	1.0
235.08232	7.3
253.09299	5.1
255.23288	100.0
256.23630	9.7
445.20773	1.1
491.32104	1.6
744.51984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.6
61.98841	4.3
69.03470	2.0
71.01379	2.5
71.52544	1.0
75.00884	1.4
79.44147	0.8
82.27624	0.9
83.04996	5.4
85.02959	1.1
87.00884	2.1
87.46537	0.8
89.02419	2.0
95.05045	1.3
99.92592	1.2
101.02451	2.8
113.02419	2.2
116.92855	8.8
117.92879	1.1
121.01884	0.8
125.02456	2.1
129.23662	0.9
161.04512	1.5
163.11241	2.9
165.12817	2.6
167.10777	2.4
171.10284	2.4
179.05531	1.0
179.14372	2.9
195.13890	7.3
205.12369	7.7
209.11823	100.0
210.12195	6.5
223.13390	79.0
224.13802	6.8
227.12894	18.8
228.13400	1.4
235.08212	3.5
253.09267	7.2
260.04938	0.9
261.15091	1.1
338.70630	0.9
347.03751	0.8
441.21219	1.8
441.33884	0.9
445.20676	4.2
452.21729	1.0
459.22290	14.4
460.22687	2.1
633.32776	1.9
651.33636	7.7
652.34399	1.6
669.35059	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	761.1356
Annotation	Gallocatechin-(4alpha->8)-epigallocatechin-3-O-gallate
Peak:m/z	Relative Intensity
57.03450	8.6
60.18550	0.6
73.78897	0.7
81.03465	2.2
83.01379	2.7
85.02940	1.1
93.03468	3.1
93.66480	0.7
95.01401	2.2
95.04993	1.1
97.02960	1.0
104.99964	0.8
105.03468	1.6
107.04997	1.2
109.02960	12.5
111.00913	0.9
111.04504	1.6
121.02974	4.5
123.00881	4.5
123.04523	1.1
124.01650	2.6
125.02449	100.0
126.02778	2.6
132.02116	0.8
133.02975	1.8
137.02455	21.9
137.03522	1.2
138.03229	1.5
139.04021	14.7
147.04646	0.7
149.02435	8.0
151.04033	3.6
157.06572	1.1
159.04546	2.1
160.01755	0.8
160.58521	0.7
161.02469	4.8
161.05956	0.7
163.00346	1.5
163.03995	5.7
164.01154	3.5
165.01932	12.0
165.53130	0.7
166.02611	1.3
167.03500	16.8
168.03883	0.8
169.01430	12.9
171.04546	0.8
173.06039	1.5
175.03992	10.1
176.04593	0.7
177.01929	66.4
177.05489	3.1
178.02376	3.9
179.03485	9.0
183.04431	0.8
185.02391	1.2
187.04044	5.5
189.01892	1.7
189.05528	2.9
191.03529	1.9
191.07170	0.9
193.05055	1.1
199.04042	4.8
201.01991	2.1
201.05621	2.1
203.03535	3.4
204.04369	1.5
205.01442	1.5
205.05074	1.1
209.02983	1.1
211.04066	2.5
213.05568	2.2
214.02563	0.9
215.03555	1.9
217.05058	4.6
218.05746	1.2
219.03200	0.9
219.06590	7.0
221.04608	3.5
227.03497	2.7
228.04236	0.9
229.05064	4.5
231.02962	3.3
231.06549	1.9
241.05014	3.4
243.02972	6.6
243.06664	1.9
244.03238	1.0
245.04543	1.5
253.05037	1.3
255.03014	11.6
256.03705	2.5
257.04620	3.7
259.06195	1.4
261.04016	3.2
261.07620	2.6
263.05637	0.8
265.04962	0.8
267.03006	1.7
269.04602	2.7
273.03979	6.5
279.03049	1.2
283.02481	7.3
283.05728	1.3
284.02951	0.8
285.04050	24.4
285.07172	1.5
286.04568	2.2
287.05695	3.8
295.02542	1.8
295.05884	0.9
297.04013	7.6
298.04614	1.7
299.05579	2.0
303.05093	13.0
304.05774	1.2
305.06662	36.8
306.06989	3.7
309.04144	1.4
315.05069	1.4
319.04523	4.0
327.05197	1.7
355.08002	1.1
379.08405	1.2
397.09418	1.0
409.09277	1.1
423.07227	59.5
424.07733	6.4
435.07242	2.1
441.08289	21.1
442.08743	2.2
447.07224	1.5
453.08234	11.9
454.08871	1.2
465.08206	17.4
466.08408	2.0
483.09192	8.7
484.09598	0.8
547.12421	1.5
573.10480	2.7
591.11346	17.6
592.11963	2.8
609.12488	31.6
610.12659	6.7
761.13568	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	759.417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
59.01377	5.9
61.98822	1.8
69.72881	0.6
70.14041	0.5
70.99337	1.3
71.01374	1.9
75.00857	0.6
77.07378	0.5
83.05016	0.9
84.95109	0.7
85.02940	1.6
87.00898	0.8
89.02454	1.6
89.18527	0.5
97.02953	1.6
99.92587	1.1
101.02409	2.7
104.66167	0.5
111.08163	1.7
113.02439	1.0
116.92859	16.3
117.92860	0.9
125.02456	0.8
125.09696	1.3
127.11290	1.4
143.03477	0.7
153.09207	1.2
161.04599	1.6
163.11261	1.2
163.18288	0.5
165.12862	1.6
171.10269	100.0
172.10608	5.1
179.05618	0.6
179.34294	0.6
181.12361	1.0
197.11812	11.7
199.13417	0.9
201.11293	0.9
209.11839	5.9
210.12199	2.4
211.13361	2.2
212.13702	0.8
227.12910	1.3
235.08266	5.6
247.20702	0.8
253.09248	11.2
254.09578	1.3
291.19666	14.2
292.19977	1.7
293.21121	0.6
295.22958	1.8
309.20703	36.7
310.21045	3.6
311.22235	2.6
312.22751	2.7
313.22870	1.3
407.19223	3.5
463.30807	0.9
527.28760	1.3
545.29620	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	759.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42675	5.8
61.98828	17.4
62.69937	6.2
64.73093	5.7
71.01382	10.7
71.06521	7.1
71.06849	6.6
76.66086	5.5
78.95893	49.4
89.21000	6.1
96.96973	8.6
118.25037	6.3
139.29985	7.3
152.99554	24.4
170.31990	6.3
198.16615	6.0
199.13428	10.1
209.11827	82.7
227.12866	60.9
235.08240	14.8
253.09244	14.3
253.21696	100.0
254.22011	9.9
268.65540	6.2
277.21707	49.8
279.23212	10.7
378.61633	6.0
434.62796	6.4
435.14554	5.7
445.21313	8.4
447.21378	11.5
463.21664	17.1
469.33017	7.1
476.48611	7.7
723.42743	30.4
759.43646	32.3
760.43011	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	759.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70872	11.1
61.98825	59.5
66.73079	12.8
71.52731	21.0
78.95910	49.8
100.19792	13.3
113.86124	13.7
126.15609	14.7
152.99542	18.7
211.13397	100.0
265.27179	14.0
289.16028	13.1
293.21170	79.7
373.32162	14.6
759.41364	80.3
760.42505	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.6
59.67078	1.1
61.98825	3.7
69.46163	9.1
73.02946	1.3
77.56482	1.2
83.05019	2.5
85.73276	1.3
91.11868	1.5
96.96033	3.5
98.19907	2.7
113.02431	1.5
125.02465	5.4
152.08141	1.2
165.01891	1.2
166.16118	1.2
171.10365	1.8
173.04688	1.8
176.05110	1.3
177.01874	1.4
201.11317	21.8
202.11630	1.5
209.11816	100.0
210.12144	7.7
227.12906	18.8
235.08232	5.5
253.09274	6.4
306.07367	1.5
437.20190	2.9
445.20740	19.0
446.20963	2.1
463.21497	3.2
492.67215	1.7
519.23108	1.6
612.30176	1.5
629.31714	6.7
630.31873	1.7
637.32251	6.6
647.32916	4.7
648.33398	1.4
655.33258	2.5
673.34235	5.8
759.35687	40.0
760.23816	1.9
760.35913	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	759.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98836	0.8
63.87359	0.2
70.42771	0.3
73.02939	1.3
73.82424	0.1
75.00900	0.2
88.98818	0.2
98.97340	0.2
99.92585	10.9
100.92621	0.5
101.02461	0.2
102.29467	0.2
103.00343	0.2
114.93433	0.6
116.92863	100.0
116.97239	0.5
117.01928	1.9
117.92872	5.8
126.48483	0.2
171.10277	0.5
183.13943	0.2
199.13451	0.2
209.11813	0.3
210.12198	0.3
211.13434	1.9
212.13756	1.1
224.81628	0.2
230.56741	0.2
235.08264	0.3
253.09232	0.5
327.21729	0.7
328.22189	0.7
329.22421	0.2
773.18878	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.4
61.98843	0.7
66.09493	0.1
71.01376	0.2
71.21458	0.2
71.21797	0.2
73.02963	0.6
88.09083	0.1
89.86247	0.1
92.10526	0.1
99.00854	0.2
99.92583	11.6
100.92589	0.5
101.02439	0.2
111.08125	0.2
114.93400	0.5
116.92861	100.0
116.97254	0.6
117.01933	1.3
117.92873	5.4
171.10265	5.4
195.13937	0.2
197.11809	0.9
201.11325	0.3
209.11832	1.2
210.12216	0.4
227.12988	0.2
235.08244	0.4
253.09299	0.7
261.30295	0.2
277.21442	0.1
291.19629	0.6
295.22812	0.8
309.20709	1.5
310.20755	0.2
311.22299	0.2
407.18979	0.3
531.71967	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	759.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64698	0.2
57.03434	0.6
59.01375	1.3
65.00308	0.2
70.89978	0.4
70.90310	0.6
71.01374	0.7
71.65317	0.2
71.98767	0.2
72.47821	0.2
73.02943	0.3
81.03454	2.4
83.01379	0.7
85.02965	0.4
87.00854	0.2
91.06932	0.3
93.03452	0.8
99.08140	0.8
101.06068	0.6
119.05031	0.5
123.08187	1.6
125.02448	3.7
125.06091	3.3
130.58847	0.2
130.59827	0.3
136.05304	0.4
137.02440	0.5
137.09636	0.2
141.09274	0.4
147.08145	0.5
148.79199	0.3
149.02390	0.4
151.00392	0.6
155.03391	0.3
163.03975	0.6
165.09203	19.0
166.09521	0.9
167.03465	0.3
167.07025	0.3
173.04518	1.1
181.12329	0.5
182.06056	0.5
191.05566	0.8
191.07161	1.4
209.08185	100.0
210.08531	6.6
222.52310	0.3
225.05582	1.2
225.11302	1.3
226.05083	0.6
233.08058	0.5
242.98628	0.3
251.09293	0.9
255.12392	0.3
260.31839	0.3
275.11426	0.7
327.08746	0.8
341.10648	0.3
371.13440	16.0
372.13898	1.5
387.16620	0.7
387.23837	1.9
411.68460	0.3
592.06030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
70.19571	46.6
78.95882	38.5
80.13872	16.2
137.84439	16.5
207.15128	16.1
277.21912	17.0
387.84348	16.0
592.72473	20.7
757.39813	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	0.3
61.98825	0.2
65.95715	0.1
68.99575	0.2
69.20177	0.3
69.20586	1.1
71.01382	2.1
72.01682	0.2
73.02947	6.8
75.00920	0.2
78.95917	0.9
84.41266	0.1
87.00869	0.5
97.93099	0.3
98.19944	0.4
99.00874	1.5
99.92581	10.0
100.92610	0.5
112.98586	0.3
114.93402	1.4
115.00367	0.9
116.92861	100.0
117.01936	13.9
117.92872	5.3
152.99559	0.2
171.10214	1.0
172.10609	0.4
178.04761	0.2
186.19849	0.2
207.10249	0.2
207.31468	0.1
211.13123	0.1
253.09370	0.2
254.21910	0.1
256.61865	0.2
277.21722	1.0
278.21970	1.2
677.20178	0.7
723.31165	0.2
759.25842	0.2
759.44073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30006	2.2
59.01374	4.5
61.98831	100.0
69.40826	12.2
69.41240	4.4
71.01371	3.1
73.56763	2.4
78.95924	3.5
79.67941	2.1
79.95752	3.7
87.00864	2.1
88.98829	2.6
96.95380	4.6
96.96012	91.0
96.96977	5.5
97.95923	3.3
98.95583	50.7
98.96424	8.4
99.00915	4.1
99.92566	8.8
115.92072	23.7
116.92099	3.7
116.92842	16.8
125.02468	2.9
171.10162	3.6
209.11826	31.8
210.12181	11.1
211.13425	38.5
212.13588	4.9
227.12770	6.2
235.08304	5.0
253.09218	8.5
269.13171	2.2
309.20575	5.2
310.21082	5.1
327.21750	15.8
399.89496	2.5
447.22284	5.2
639.33569	3.4
721.24561	2.8
722.26013	2.7
757.39038	10.6
758.38837	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	757.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03437	1.6
59.01079	0.6
59.01377	11.5
62.69237	0.3
69.03456	2.7
71.01383	20.6
71.52413	0.4
72.99313	0.6
73.02948	7.1
75.00854	0.5
83.01382	3.8
85.02952	12.5
87.00884	1.2
89.02445	3.5
95.01368	1.6
97.02962	0.7
99.00886	3.2
101.02445	22.7
102.02801	0.5
103.94042	0.3
113.02453	26.1
114.02769	0.7
119.05053	0.8
125.02440	1.9
129.01936	0.5
131.03427	0.3
137.02417	0.5
143.03505	1.3
159.02986	2.9
161.04556	16.3
163.04002	0.7
163.76416	0.4
167.03421	0.6
173.04550	1.4
191.05647	0.7
195.08359	0.4
237.09792	100.0
238.10162	4.9
337.09546	0.4
351.12939	18.2
351.16309	0.8
352.13293	1.4
567.72827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
61.98832	1.5
66.25112	0.1
71.01389	0.2
71.52621	0.2
73.02940	0.8
80.91687	0.2
96.96016	0.5
99.92583	10.5
100.92583	0.7
114.93403	0.5
116.92860	100.0
116.97231	0.5
117.01950	1.4
117.92869	6.0
125.02420	0.3
139.00896	0.1
145.28055	0.1
159.63065	0.1
168.22836	0.2
209.11867	0.6
210.12074	0.3
211.13445	0.9
212.13870	0.1
233.06923	0.2
253.09370	0.2
260.49542	0.2
269.04584	0.2
327.21637	0.4
414.28589	0.1
611.91809	0.1
757.34827	0.2
771.78564	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
58.00602	0.2
59.01377	3.3
61.98828	0.7
61.99130	0.2
69.03467	0.3
70.70548	0.4
71.01385	2.9
72.99295	0.2
73.02952	0.7
75.51356	0.2
80.02695	0.9
81.03464	1.1
83.01418	0.4
83.05027	4.5
83.67937	0.2
84.02176	0.7
85.02952	0.7
87.00877	0.5
89.02452	1.6
95.05033	0.6
97.02974	0.7
97.06610	0.4
99.00878	0.2
101.02444	2.9
109.06625	0.3
111.08163	3.4
113.02454	1.4
118.52830	0.2
119.03516	0.8
125.02536	0.2
125.06123	0.4
125.09707	0.3
127.07674	0.5
131.03496	0.2
135.08148	0.4
143.03528	0.3
145.05095	0.3
147.11836	0.2
151.11314	0.3
153.12843	0.5
161.04616	1.3
163.07710	0.2
163.11288	3.8
165.12854	2.0
169.12334	1.4
171.10283	0.6
179.05626	0.3
181.12364	1.1
183.13925	0.5
191.10800	0.7
193.12323	0.3
197.11826	17.0
198.12198	0.9
199.13397	1.2
202.00673	0.2
209.11823	100.0
210.12158	6.7
211.13385	3.6
225.11380	0.2
227.12874	13.5
228.13284	0.9
235.08212	3.9
236.08577	0.2
247.20668	0.5
253.09280	12.8
254.09563	0.7
263.20273	0.9
265.18039	0.5
273.18591	0.5
291.19666	9.3
292.19995	0.8
293.21118	0.4
309.20700	31.5
310.21078	3.2
325.20190	0.2
366.53503	0.2
433.20758	0.3
445.20724	1.5
463.21741	0.3
501.31943	0.2
527.28760	0.2
540.27209	0.2
545.29431	0.5
728.05554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.422
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48360	0.2
55.01895	0.3
57.03438	0.9
58.00583	0.3
59.01105	0.4
59.01377	4.2
69.03448	0.6
70.83496	0.4
70.83847	0.4
71.01378	3.5
73.02941	0.5
73.25453	0.2
76.74933	0.2
80.02670	1.1
80.03098	0.2
81.03466	0.9
83.01390	0.5
83.05029	4.3
84.02173	0.7
85.02945	1.1
87.00902	0.3
89.02448	2.2
95.01379	0.3
95.05037	0.5
97.02963	1.5
97.06621	0.3
101.02444	2.7
109.06561	0.6
111.08167	4.1
113.02449	1.6
119.03518	0.9
125.02445	0.4
125.06131	0.6
125.09698	0.5
135.08194	0.6
137.09715	0.6
139.26175	0.2
143.03568	0.3
151.11287	0.3
153.12828	0.5
161.04527	1.3
163.11298	3.6
165.12866	3.0
169.12338	1.6
171.10307	1.8
179.05534	0.7
181.12340	1.1
191.10709	1.1
193.12312	0.4
197.11832	22.7
198.12209	1.4
199.13336	1.5
204.06253	0.2
207.76306	0.2
209.11823	100.0
210.12154	6.1
211.13383	4.0
211.15219	0.4
225.11282	0.4
227.12878	13.6
228.13191	0.8
235.08224	2.7
247.20657	1.2
253.09277	13.8
254.09607	0.4
254.94414	0.2
263.20203	1.0
265.18042	0.5
273.18542	0.7
291.19653	19.0
292.20020	1.4
293.21100	0.6
309.20709	45.4
310.21027	4.3
327.21948	0.3
349.28592	0.3
410.09796	0.2
433.20941	0.4
445.20764	1.5
527.28339	0.3
545.29614	1.6
546.30170	0.4
580.80591	0.3
676.57727	0.3
684.59082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01377	4.0
61.98830	6.0
68.99563	1.4
69.03454	0.7
71.01385	3.9
73.02956	0.8
78.95872	0.4
80.02676	1.1
80.96509	1.1
81.03451	0.9
83.01392	0.7
83.05025	4.2
84.02175	1.0
85.02946	1.2
87.00870	1.3
89.02450	2.4
93.07039	0.4
95.01400	0.6
95.05012	0.8
96.96009	4.3
97.02955	0.7
97.06586	0.8
98.19949	0.9
101.02442	2.8
108.02841	0.3
109.06619	0.7
111.08176	1.0
111.20122	0.4
112.98591	1.2
113.02449	2.0
116.92866	1.5
119.03510	0.8
121.10268	2.0
123.08183	0.5
125.02485	0.5
125.06043	0.7
125.09710	2.6
135.08191	0.5
137.09738	0.5
145.05042	0.7
161.04532	1.2
163.11281	3.0
164.11644	0.4
165.12805	2.1
167.14456	0.7
171.10271	14.0
172.10704	0.4
179.05638	0.4
181.12332	0.8
185.11832	2.9
191.10780	1.0
195.13864	0.7
197.11823	3.1
199.13396	2.3
209.11821	100.0
210.12158	8.7
211.13393	44.8
212.13780	2.9
212.67691	0.4
221.15515	0.4
223.17032	0.8
225.00989	0.4
225.11270	0.5
227.12875	20.1
228.13152	1.3
233.15381	0.7
235.08162	3.6
249.15085	0.8
251.16479	3.9
252.16704	0.4
253.09290	10.6
254.09641	0.5
264.95932	0.4
271.02426	0.5
273.18539	1.1
289.18195	1.1
290.18304	1.1
291.19653	39.3
292.19916	4.1
300.02853	0.8
301.03439	0.5
309.20706	10.0
310.21219	0.8
329.21130	0.5
407.19113	0.6
445.20847	2.7
447.22232	1.6
463.21762	1.3
509.27716	0.5
527.28741	3.9
528.28784	0.6
545.30383	0.5
639.33423	0.6
719.40210	0.7
737.41180	0.8
755.29333	0.8
755.42487	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
57.03449	6.5
57.81340	0.5
59.01380	6.8
61.98819	0.7
65.05614	0.5
65.53802	0.5
67.01883	0.7
69.03455	0.9
71.01381	6.7
71.53258	0.5
73.02957	1.3
81.03387	0.5
83.01385	1.6
85.02946	7.4
86.06043	0.5
87.00879	3.2
89.02451	1.9
93.03444	3.4
96.96006	1.6
97.02933	0.8
101.02446	3.0
101.60751	0.5
109.02940	0.7
111.00886	1.8
113.02449	1.4
116.23642	0.6
119.03521	0.8
119.05043	2.9
121.02964	0.7
125.02441	2.8
125.09692	0.7
129.01947	44.1
130.02269	1.5
132.96957	0.5
136.02536	0.5
137.02434	1.4
141.01923	0.6
148.85365	0.5
155.03552	0.6
155.10782	0.6
163.03973	2.0
167.03572	0.7
169.01358	0.9
171.10266	2.3
173.04556	8.0
191.01912	1.0
191.05611	2.3
209.02997	1.3
216.62723	0.5
219.05074	15.5
220.05482	0.7
255.02921	0.7
300.02704	0.7
355.24908	1.5
373.25876	5.5
374.26053	0.9
460.79297	0.5
517.29962	1.8
535.31238	100.0
536.31561	15.0
537.22998	1.5
711.28308	1.8
755.24493	1.0
755.37115	8.2
756.37457	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.2
59.01397	3.5
67.01884	4.2
69.03451	5.6
71.01388	4.5
71.05061	0.7
71.51891	0.9
83.01410	0.7
83.05023	1.2
84.75311	0.6
85.02959	2.7
89.02446	0.8
93.03458	28.8
94.03800	0.7
96.61752	0.7
101.02411	1.6
107.01395	1.6
108.02172	2.8
109.02944	2.4
111.00861	1.0
111.04530	5.8
111.08119	1.0
113.02438	1.1
113.06075	1.5
119.05023	1.7
121.02975	2.5
123.08161	0.7
125.02463	0.8
125.09686	0.7
127.03938	0.8
129.01895	0.8
134.03777	0.9
135.00905	0.7
137.02446	3.7
139.11295	8.9
148.01680	1.6
149.02440	12.8
151.00357	4.0
152.01105	2.2
155.03499	5.1
163.00316	0.7
163.04008	1.0
164.04808	8.2
173.04543	100.0
174.04890	4.4
178.99835	2.1
179.07137	1.1
183.10258	48.1
184.10577	2.5
191.05641	4.7
191.07071	1.0
193.04976	0.9
216.04202	0.6
223.04112	1.2
223.06140	13.0
227.03497	4.3
243.02985	7.1
244.03378	0.8
251.11397	1.1
254.02048	1.3
255.02972	20.3
256.03510	1.5
271.02478	40.8
272.02853	4.5
284.03256	3.4
285.03970	1.4
299.02020	2.0
300.02734	70.7
301.03238	9.6
357.15518	36.9
358.15851	4.4
359.15009	2.3
360.15128	0.7
362.87476	0.6
367.10297	1.9
389.18182	4.2
397.06155	1.3
397.11371	24.1
398.11691	2.5
428.15781	0.8
437.81741	0.6
445.37405	0.7
690.74939	0.7
755.20313	43.8
756.20636	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	755.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02374	0.4
65.00318	1.4
67.96294	0.4
68.36170	0.4
70.27767	0.6
70.28091	0.9
78.43192	0.4
94.31828	0.4
107.01386	1.8
108.02172	1.1
121.77338	0.5
124.01646	0.5
135.00912	0.6
148.01675	1.1
151.00372	5.1
163.00328	1.1
164.01082	0.7
178.99861	3.3
199.03908	0.9
208.49709	0.5
211.03897	0.7
215.03403	0.4
226.02652	1.3
227.03564	2.6
229.01321	0.6
243.02986	11.6
244.03314	0.7
254.02266	2.3
255.02979	26.1
256.03418	2.3
271.02463	58.9
272.02896	5.8
299.02026	2.1
300.02728	100.0
301.03281	14.6
603.39484	0.5
755.20374	62.7
756.20605	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	755.2038
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
57.03456	1.0
59.01385	1.2
61.15333	0.6
71.52620	0.8
83.01410	1.5
85.02943	1.3
93.03477	3.2
95.05042	0.6
96.96061	0.6
107.01412	1.8
108.02177	0.7
109.02945	1.5
111.04480	0.6
117.03467	1.1
119.05007	1.1
121.02950	0.8
123.04537	1.3
123.10791	0.7
125.02445	7.4
135.04517	4.8
137.02431	1.6
139.03966	0.6
144.07230	0.6
149.02432	0.8
151.00398	4.5
152.01112	2.5
153.01874	1.4
153.05652	0.7
159.04442	1.0
161.02400	1.1
163.04028	1.4
167.03500	1.4
173.04550	9.7
175.03996	1.5
177.01923	1.7
178.99867	1.6
179.03528	4.4
183.04514	2.8
185.79675	0.7
191.05627	3.6
211.03957	2.2
227.03513	11.8
228.03923	0.8
229.04953	0.9
241.05048	0.8
255.02982	59.6
256.03488	6.0
257.04575	1.3
265.29218	0.7
269.04495	0.7
275.05533	0.7
283.02481	91.9
284.03207	52.5
285.04022	37.5
286.04425	2.5
289.07211	1.4
296.06903	1.0
303.05057	6.6
305.06659	0.7
326.04285	1.4
327.05048	1.6
353.08914	5.4
354.09302	0.7
383.07736	0.9
429.08270	1.1
446.08557	11.3
447.09045	3.1
465.10269	1.3
593.15094	100.0
594.15442	16.1
635.16223	2.4
755.20349	21.9
756.20874	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	754.35
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56745	0.1
59.01372	0.3
61.98831	100.0
62.98541	0.2
62.99285	0.1
71.01389	0.2
79.95737	0.3
80.96520	1.0
87.53501	0.1
89.02505	0.1
94.98101	0.2
96.96020	0.3
98.20673	0.2
101.02432	0.1
116.92869	0.2
121.49857	0.1
125.02473	0.2
138.55847	0.1
164.98709	0.1
167.03574	0.1
205.14946	0.1
209.11783	0.4
225.00839	0.2
269.04611	0.1
293.21326	0.3
294.21548	0.3
295.21976	0.1
296.22055	0.1
317.06143	0.1
389.73972	0.1
399.14450	0.1
417.15515	0.2
754.34021	1.2
755.34528	0.3
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
58.12951	0.1
59.01378	0.6
59.83498	0.1
61.98830	100.0
62.98524	0.1
66.77157	0.1
67.22975	0.1
71.01383	0.3
80.96526	0.2
85.02940	0.2
85.79163	0.1
101.02473	0.1
112.42995	0.1
113.02474	0.1
125.02473	0.2
137.02458	0.1
137.64297	0.1
141.51768	0.1
155.77011	0.1
156.81281	0.1
209.11861	0.3
210.12189	0.1
435.65778	0.1
650.38550	0.2
651.39777	0.2
669.40479	0.2
755.31818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.4
59.01376	4.3
61.98832	77.6
62.98534	0.6
63.99253	0.5
70.68142	0.4
71.01386	3.9
71.05021	1.0
71.16809	0.4
72.99339	0.4
73.02950	0.7
78.95923	0.6
79.95779	0.5
80.02694	1.3
80.66461	0.4
81.00781	0.4
81.03465	2.0
83.01396	0.8
83.05028	5.1
85.02953	1.2
87.00868	0.9
89.02453	1.8
93.03484	0.6
95.05022	1.1
96.96023	1.1
97.02992	0.5
97.06574	0.8
101.02453	3.0
106.04205	0.4
109.06597	3.8
111.04520	1.0
111.08182	0.6
113.02454	1.9
116.92870	1.2
119.08728	0.6
121.06627	0.7
125.06086	0.6
125.09752	0.6
127.07706	0.5
127.82226	0.4
135.08185	0.9
143.07066	0.4
143.10802	0.7
145.06526	0.5
149.09659	0.6
161.04564	1.3
163.11298	4.1
165.12798	2.0
167.10774	0.6
169.12378	0.5
171.10280	6.2
179.05600	0.6
181.12311	0.7
185.11784	0.7
191.10703	0.9
195.13908	1.0
197.11784	0.4
202.27678	0.4
207.10251	2.3
209.11826	100.0
210.12160	6.1
211.13365	1.3
225.11308	2.5
227.12881	13.7
228.13222	0.9
235.08168	2.9
235.13280	0.5
237.14999	0.5
245.19112	1.3
253.09297	10.0
271.17029	0.8
287.16415	1.0
289.18091	43.7
290.18463	4.9
291.19925	0.5
307.19141	3.1
308.19458	0.5
309.20676	1.5
327.19632	1.5
345.20520	1.0
441.26477	0.8
445.20740	1.5
461.19968	0.5
499.30899	0.8
517.31647	0.9
525.26733	0.5
677.34979	0.6
717.38165	1.0
735.39630	4.9
736.39746	1.0
753.41284	2.4
754.40533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76901	0.5
57.03439	1.7
59.01387	5.5
61.98822	1.8
69.03458	0.9
71.01389	5.6
71.52324	0.9
71.55048	0.5
80.02660	1.5
81.03458	1.9
83.01402	1.0
83.05038	5.5
84.02165	0.9
85.02929	1.1
87.00872	0.8
89.02448	3.1
92.61229	0.5
92.91125	0.5
95.05011	1.4
97.02934	0.9
97.06602	4.8
99.00893	0.6
101.02440	3.2
106.04248	0.6
109.06602	1.7
111.08134	1.9
112.27754	0.5
113.02451	2.5
119.03472	0.8
123.08200	1.2
123.11514	0.6
125.02441	2.7
125.09717	1.3
135.08133	1.4
137.02431	0.6
137.09695	0.7
149.09695	0.9
151.11258	3.5
153.09207	1.2
153.12828	0.6
155.10762	1.1
161.04518	2.2
161.05746	0.5
163.11267	5.2
165.12874	6.8
167.03508	0.6
167.10709	0.6
169.12349	1.1
171.10228	2.4
177.12952	0.6
179.05574	0.8
179.10817	2.1
181.12337	5.2
183.13904	1.5
191.10773	3.9
191.14368	1.3
197.11847	0.7
199.13380	1.9
205.12294	0.9
207.10274	1.5
209.11821	100.0
210.12143	7.0
211.13322	3.6
222.29410	0.6
225.11293	2.4
227.12892	21.5
228.13173	1.3
235.08241	3.7
245.19063	5.3
247.13402	1.8
253.09303	9.4
263.20117	7.3
264.20477	1.0
271.17007	1.1
277.21689	1.1
279.19696	1.4
289.18094	12.3
290.18448	0.8
291.19626	1.4
293.21143	0.7
307.19135	34.3
308.19476	3.7
309.20700	1.5
403.20920	0.6
445.20819	6.8
446.21198	0.8
525.26807	1.4
543.28168	6.1
544.28503	0.8
609.49902	0.7
617.40631	0.7
637.32294	1.5
655.33789	1.1
717.38477	1.0
735.39148	1.3
736.39868	0.8
753.40216	3.9
754.41046	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03434	0.6
58.00587	0.3
59.01380	4.0
60.92516	0.3
61.98831	9.3
69.03450	0.6
69.76148	0.5
69.76556	1.2
71.01376	3.7
72.99266	0.3
73.02941	0.6
80.02666	1.4
81.03453	1.9
83.01402	1.3
83.05027	4.9
84.02176	0.6
85.02957	1.3
87.00876	0.7
89.02435	2.1
93.03452	0.4
95.01367	0.4
95.05022	1.1
97.02954	1.2
97.06575	1.7
99.00874	0.6
101.02440	3.5
106.04175	0.4
109.06593	2.0
110.03712	0.4
111.08154	0.5
113.02441	2.0
119.03529	0.5
119.08696	0.3
121.06568	0.6
123.04515	0.8
123.08154	0.8
125.02465	0.8
125.06093	0.9
125.09744	2.7
125.78201	0.2
126.28787	0.3
135.08185	1.6
137.06100	0.3
137.09705	1.0
143.03503	0.4
145.05086	0.6
149.06096	0.3
151.11244	0.3
160.08885	0.3
161.04526	1.1
161.09756	0.3
163.11278	6.9
164.11606	0.7
165.12837	2.4
165.31113	0.3
169.12311	0.8
171.10272	2.0
177.12914	0.3
179.05623	0.4
181.12352	1.7
185.11812	2.9
189.12979	0.3
191.10789	1.4
191.14401	2.3
197.11792	2.3
199.13361	0.7
207.10249	4.1
209.11816	100.0
210.12155	7.5
211.13405	1.2
223.13431	0.3
225.11343	3.6
227.12875	10.3
227.18123	0.4
228.13257	0.6
235.08212	2.4
237.11372	1.4
245.19080	4.8
246.19409	0.4
249.14864	0.4
253.09286	9.6
254.09633	0.6
263.20148	1.3
271.17215	0.5
289.18082	23.3
290.18396	2.5
291.19699	1.5
292.20129	0.3
293.21198	1.4
307.19138	21.9
308.19394	2.5
309.20721	2.4
310.20828	0.3
327.19617	0.4
331.18890	0.3
340.67566	0.3
347.22183	0.3
401.23447	0.4
419.24576	0.4
432.93661	0.3
443.19424	0.3
445.20850	1.1
461.20367	0.6
481.29044	0.4
499.30814	0.8
517.31787	0.5
525.28400	0.4
542.52448	0.4
543.27972	0.6
637.31757	0.6
651.25781	0.3
735.39709	1.1
753.40625	6.0
754.41132	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	753.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
57.73512	0.2
58.81247	0.2
59.01380	1.2
60.39929	0.3
60.99304	0.6
67.01886	3.3
68.18993	0.2
69.03455	0.7
71.01382	3.4
72.99278	0.2
73.02910	0.2
81.03449	0.6
81.50437	0.2
83.01363	0.3
83.05019	0.6
84.61826	0.2
85.02937	1.8
87.00909	0.4
89.03967	0.2
93.03458	26.3
94.03796	0.8
98.19915	0.6
98.67203	0.2
99.00928	0.3
99.04529	0.2
101.02444	0.3
108.10613	0.2
109.02969	0.8
111.00887	0.9
111.04514	4.1
113.02463	0.7
117.03453	1.5
125.02448	0.7
127.04012	0.4
134.03738	16.4
135.04102	0.7
137.02455	4.5
149.06081	1.2
155.03487	4.4
173.04541	100.0
174.04878	3.5
178.02724	0.5
189.07721	0.6
191.01981	0.5
191.05637	1.8
193.05045	13.9
194.05406	0.6
213.99448	0.2
223.04582	1.3
239.37578	0.2
249.11342	0.3
251.11201	0.4
352.88440	0.3
367.10312	34.4
368.10672	3.1
385.07956	0.3
411.16464	0.4
563.13873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.35352	0.1
62.98526	0.2
71.01392	0.1
83.71492	0.1
94.05101	0.1
209.11725	0.4
210.12260	0.1
211.13440	0.1
212.13762	0.2
227.12982	0.1
230.15596	0.1
572.74792	0.1
752.39203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.371
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78644	0.1
61.98832	100.0
62.98541	0.2
66.93554	0.1
72.86501	0.1
88.73402	0.1
96.96042	0.1
103.90484	0.1
105.49055	0.1
128.64838	0.1
135.08232	0.1
150.36166	0.1
171.10255	0.5
185.11728	0.1
209.11844	1.5
210.12209	0.2
211.13393	0.3
212.13913	0.2
219.34413	0.1
225.11685	0.1
227.13023	0.3
253.09256	0.1
289.18127	0.3
307.19153	0.2
448.22708	0.1
538.14899	0.1
653.06995	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	753.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15177	0.3
57.03439	0.8
59.01368	1.2
60.99301	0.6
67.01882	3.4
69.03465	0.9
71.01379	2.8
71.52766	0.4
75.64988	0.3
81.03454	0.9
83.05022	1.0
85.02946	2.4
87.00845	0.6
93.03457	20.7
94.03785	0.7
101.02466	0.3
109.02952	1.2
109.05122	0.3
111.00877	0.5
111.04514	4.7
112.67482	0.3
119.05028	15.2
120.05379	0.4
125.02451	1.9
127.03999	0.6
137.02458	4.2
145.02959	0.6
155.03522	3.7
163.04013	14.7
164.04305	0.9
167.03397	0.3
169.01431	0.5
173.04543	100.0
174.04893	3.8
177.01898	0.4
191.01968	0.6
191.05605	18.4
192.05969	0.8
216.43663	0.3
337.09268	44.8
338.09610	4.4
382.85181	0.3
387.16638	0.4
613.21033	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
61.98831	2.2
71.01373	1.4
71.51733	0.6
72.99306	3.1
73.02959	0.4
73.15816	0.3
74.64561	0.4
75.00871	100.0
76.01205	1.1
89.02445	1.3
90.19431	0.3
93.20019	0.3
95.71917	0.4
98.49738	0.3
101.02437	0.9
113.02477	0.3
115.56483	0.3
116.92844	0.4
125.02438	0.8
169.06854	0.3
209.11696	0.6
222.01086	0.3
235.08325	0.8
277.21713	3.3
305.08685	0.4
397.13525	6.4
398.14517	0.5
415.14685	1.6
449.25787	0.4
473.75436	0.4
484.74811	0.4
498.93552	0.3
751.39783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48399	0.2
57.03442	0.4
59.01379	1.8
63.02397	0.6
65.00324	0.5
69.24707	2.0
70.02958	0.3
71.01385	2.5
72.99331	0.4
74.02462	0.8
75.00869	0.6
83.01376	0.3
85.02942	2.6
87.00865	0.5
89.02454	0.3
95.01358	0.8
99.00885	1.1
103.00340	0.3
103.13589	0.2
105.03443	0.3
107.01388	1.2
109.02946	0.7
113.02460	2.0
115.00359	0.6
116.05064	0.4
117.01900	0.2
121.02928	0.5
129.01872	0.2
133.02939	5.0
133.03902	0.3
135.31888	0.3
149.02438	1.1
151.00369	3.3
175.02554	0.4
175.03979	2.3
177.01938	0.3
177.06918	0.2
179.20700	0.2
199.03979	1.9
201.01886	0.8
203.08229	1.0
213.05605	0.4
215.03566	0.4
217.05055	1.0
229.05110	0.4
241.05093	0.6
243.02910	0.8
245.09251	1.1
267.02783	0.4
284.03308	0.3
285.04025	100.0
286.04373	8.7
290.06757	0.8
297.04117	0.4
327.05008	1.3
355.04468	0.3
357.06058	0.7
381.06287	0.3
461.07224	52.2
462.07553	6.5
470.53006	0.2
685.55566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90219	0.5
59.01373	0.8
60.13549	0.4
61.98830	1.2
63.96236	1.2
69.03461	0.7
71.01380	7.3
73.02956	1.2
78.95914	2.2
78.98600	6.6
79.95737	12.6
80.96517	71.7
81.03447	0.8
85.02961	2.2
87.00869	2.3
87.83843	0.6
94.98087	18.8
96.96010	1.8
97.02932	1.1
98.20689	1.1
99.00901	0.6
99.92604	0.6
101.02447	2.8
104.80692	0.4
106.98111	2.0
108.84789	0.5
122.97575	4.8
125.02455	3.2
127.04069	1.1
134.97585	6.5
136.99150	1.2
148.99144	6.4
152.98631	5.8
159.51155	0.5
164.98628	12.7
194.90002	1.5
196.89455	1.7
206.99680	3.5
211.13351	1.8
211.77019	0.5
225.00739	21.5
255.23277	1.8
277.21521	0.5
440.10306	0.5
472.25275	0.6
493.17609	2.5
537.27563	2.5
646.28955	0.5
749.41461	100.0
750.41718	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	749.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.4
59.18250	0.4
61.98830	6.6
62.99484	0.4
69.91410	0.3
70.28241	0.3
71.01386	2.4
71.28976	0.6
71.29312	0.4
72.99312	0.5
73.02956	0.4
80.02678	0.8
80.22868	0.3
81.03461	0.8
83.01408	0.4
83.05023	3.8
84.02160	0.6
85.02938	0.8
89.02429	2.1
95.01421	0.4
95.05032	0.3
101.02448	2.0
113.02431	1.1
116.92785	0.4
119.03548	0.5
125.06052	0.4
161.04514	0.8
163.11308	3.3
165.12798	1.9
171.10248	0.4
177.24821	0.3
181.12364	0.7
183.13892	4.7
191.10797	0.8
193.12320	1.1
207.10197	0.4
208.91641	0.4
209.11821	100.0
210.12180	6.6
211.13385	73.8
212.13731	5.1
227.12878	14.6
228.13321	0.5
235.08221	2.6
240.95461	0.3
249.14977	0.4
253.09283	7.4
291.19604	1.0
397.13498	1.1
417.31860	0.4
429.21414	1.2
445.20724	6.3
446.21216	0.8
447.22357	5.3
448.22754	0.8
620.21173	0.4
621.32794	1.3
639.33844	2.0
657.35022	0.5
689.33630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
58.66055	0.7
59.01368	2.3
61.98829	5.7
71.01361	1.7
72.99304	4.8
75.00871	100.0
76.01205	1.0
83.05024	2.5
85.02969	1.2
89.02489	0.9
101.02435	1.8
113.02418	0.8
125.02478	0.9
128.23889	0.8
134.99626	0.7
147.95781	0.8
149.04562	0.8
161.04480	1.2
163.11273	1.3
165.12811	1.1
165.35925	0.9
200.42296	0.7
203.25757	0.7
209.11816	81.4
210.12160	6.7
211.13486	1.6
227.12917	14.1
228.13144	1.4
235.08228	1.5
239.61426	0.8
253.09254	5.1
445.20828	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	749.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53244	0.5
59.01377	4.1
61.98833	3.4
64.17013	0.4
69.84656	0.4
70.25824	0.5
70.66634	0.4
71.01392	2.0
72.99308	1.4
73.02969	0.7
80.02665	0.9
80.96511	0.4
81.03459	0.7
83.05025	3.3
84.02142	0.6
84.48434	0.4
85.02960	0.6
87.00840	0.6
88.98831	2.3
88.99297	0.5
89.02431	1.6
98.20658	1.1
101.02446	2.4
113.02455	1.3
119.03516	0.4
122.39167	0.4
125.02407	0.6
125.06017	0.5
125.57245	0.4
135.08141	0.5
143.03519	0.6
161.04524	0.7
163.11308	3.1
165.12830	1.7
167.10728	0.4
167.14352	0.8
171.10289	0.6
171.25578	0.5
172.10945	0.4
179.05594	0.7
183.13895	6.0
191.10722	0.5
193.12358	1.7
209.11819	100.0
210.12173	7.1
211.13379	93.3
212.13702	6.4
227.12885	14.4
228.13171	0.9
234.45973	0.4
235.08211	3.3
253.09224	7.1
254.09697	0.5
313.08429	0.4
403.24411	0.5
417.46960	0.5
427.19763	0.5
429.21234	1.6
432.99911	0.5
445.20743	4.5
446.21078	0.6
447.22284	8.4
448.22476	1.0
463.22107	0.9
621.32904	1.7
639.33344	2.3
640.34943	0.6
731.39233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
57.03441	1.4
58.00571	0.2
59.01073	0.3
59.01376	4.7
60.27285	0.2
62.89008	0.2
63.02392	1.4
65.00322	0.7
66.36526	0.2
67.01886	0.3
68.99825	0.5
69.27489	0.3
69.27899	1.3
69.90255	0.2
71.01379	4.9
72.99310	1.2
73.02935	0.5
75.00871	3.1
83.01361	0.3
84.02144	0.4
85.02946	11.7
86.03297	0.2
87.00866	1.5
89.02453	0.9
93.03440	0.2
95.01388	3.9
99.00885	4.5
103.00374	1.9
107.01391	1.6
111.00852	0.2
113.02444	24.9
114.02744	0.5
115.00349	0.7
117.01940	1.8
117.03444	2.8
121.02951	0.4
129.01942	1.0
142.99860	0.4
149.02388	1.4
151.00371	1.3
157.01434	0.7
159.04463	1.0
161.02432	0.8
169.06541	0.4
174.01790	0.3
175.02466	14.2
176.02840	0.6
181.06537	0.5
183.04510	0.8
197.06059	0.7
201.05640	0.9
221.57668	0.2
224.04953	0.2
225.05519	1.3
225.07506	0.2
227.03502	0.5
240.88046	0.2
241.04910	0.3
269.04529	100.0
270.04868	9.5
271.08133	0.3
304.10822	0.2
342.78247	0.2
445.07727	33.4
446.08038	5.0
504.73398	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38329	0.6
59.01377	2.4
61.98831	6.6
64.84827	0.6
71.01384	1.6
71.53271	0.9
73.02975	0.7
83.05025	2.1
88.98802	0.6
99.56335	0.6
101.02462	1.0
116.92881	1.4
117.92955	0.6
125.02462	0.6
129.19699	0.6
139.83868	0.6
163.11298	1.3
165.12729	0.8
174.96393	0.7
181.82893	0.6
191.01723	0.6
209.11816	100.0
210.12125	7.6
227.12840	6.2
235.08240	3.0
253.09293	4.0
445.20905	4.8
449.16589	0.6
539.96625	0.7
659.87305	0.7
694.72162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	23.9
71.01385	12.9
71.14939	1.9
85.02938	2.5
89.02457	21.9
95.53193	1.6
99.17576	1.8
101.02443	13.3
107.57607	1.9
109.21985	2.1
113.02449	10.1
119.03532	10.6
123.25871	1.9
158.75294	2.0
179.05623	8.1
200.31316	1.9
225.22249	6.1
271.22983	3.7
296.57693	1.9
322.11295	2.4
328.63098	2.3
399.37045	2.1
532.47260	12.5
533.47852	2.8
550.48450	5.4
616.41516	2.2
712.53650	100.0
713.53931	25.4
748.51184	30.4
749.51367	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	747.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
60.99305	17.1
61.98836	1.6
69.41032	1.0
69.41444	0.5
85.02956	0.2
87.00881	2.8
88.00410	1.3
88.98806	100.0
89.02443	6.3
89.06602	0.2
89.99152	1.2
104.91488	0.2
109.06641	0.2
116.92835	0.6
121.81433	0.2
125.02417	0.7
127.62553	0.2
207.10307	0.3
209.11847	2.6
210.12038	0.3
211.13387	1.8
225.11316	0.4
227.12886	0.4
253.09261	0.4
285.03735	0.2
358.50269	0.2
383.22287	0.3
401.23444	0.3
445.20538	0.4
637.32605	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06529	1.4
57.38191	1.6
59.01377	18.1
61.98849	2.0
69.20097	8.3
69.20522	6.5
75.00868	8.5
90.11312	1.4
101.02470	4.2
102.99722	2.7
103.00371	30.2
103.04019	3.6
119.33369	1.4
161.86276	1.6
165.46608	1.5
199.69833	1.8
209.11897	1.9
263.61069	1.8
276.81610	1.4
438.13242	4.3
442.30240	1.6
443.65097	1.7
467.13828	4.1
481.15121	32.9
482.15680	13.1
483.16660	3.1
495.16772	4.4
497.18250	5.5
514.14990	8.2
540.16455	10.4
541.16992	8.2
542.17645	2.5
555.18854	100.0
556.19183	24.9
572.15436	16.2
573.15656	3.5
593.19830	1.7
641.22815	2.4
642.22717	1.9
643.23993	29.8
644.24481	9.1
659.23456	22.5
660.24048	7.2
673.24884	10.2
674.24915	4.5
745.25848	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	745.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39249	0.6
57.03445	2.6
59.01374	1.9
67.01891	1.4
69.03448	1.1
69.13602	4.7
69.14009	1.8
71.01390	2.3
72.99305	1.5
83.01388	1.7
85.02960	2.7
90.77464	0.7
93.03461	28.9
94.03822	1.4
95.01387	4.0
95.44072	0.6
97.02924	1.6
98.19923	1.4
98.65409	0.6
101.02475	0.8
105.67107	0.7
107.01440	1.6
109.02956	2.2
111.04531	1.3
113.02474	1.0
115.00396	0.8
119.05031	13.4
121.02936	1.0
123.00881	13.5
123.04535	1.8
123.63052	0.8
124.00322	0.7
124.01662	31.7
125.02451	37.6
126.02788	1.6
131.07159	1.2
133.01408	1.1
133.02946	0.8
135.04495	1.4
137.02446	22.7
149.02464	1.2
149.99585	48.0
151.00377	4.7
151.04045	2.7
159.04526	0.6
161.02417	1.6
163.02747	1.4
163.04018	17.3
165.01891	1.1
166.99788	1.1
167.03505	2.7
168.00636	93.4
169.01422	13.8
173.04539	25.4
173.06029	1.4
174.04732	1.1
175.03992	1.0
177.01935	7.9
178.02258	1.0
179.03506	2.9
187.03926	1.3
191.05608	3.7
201.05492	1.6
203.07224	0.9
205.05002	1.3
217.05093	0.9
227.03595	0.7
243.02979	1.5
244.03661	1.4
245.04471	3.8
245.08171	1.6
255.03014	1.3
257.04514	0.7
269.06808	1.1
273.03983	0.8
285.04099	2.3
287.05420	1.3
289.07245	4.3
293.09253	0.7
293.12387	2.8
303.05121	1.4
305.06772	1.2
313.05551	1.2
331.06720	3.1
337.09332	10.1
338.09869	1.5
407.07703	5.0
408.07898	0.9
423.07327	1.4
425.09012	2.2
441.08466	1.2
445.09686	0.9
449.08420	1.3
451.12601	1.5
457.13815	1.2
467.09393	0.9
575.11914	0.8
583.12927	4.7
593.12994	4.4
745.18304	100.0
746.18573	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
59.01377	8.9
61.98812	0.4
67.01874	0.5
69.71158	2.7
71.01008	0.6
71.01385	9.1
71.98458	0.4
72.99302	1.2
73.02942	1.0
75.00865	4.3
83.01373	0.6
84.02145	0.5
85.02953	19.7
87.00872	3.0
89.02443	1.6
95.01379	6.3
98.20628	0.9
99.00276	0.7
99.00883	7.2
101.02435	1.1
103.00365	3.6
107.01353	0.7
108.40188	0.4
113.02451	34.5
114.02766	1.4
115.00372	1.2
117.01937	2.3
129.01926	1.5
133.02960	1.9
144.24834	0.4
149.85625	0.4
151.00316	1.2
157.01375	0.9
175.02475	16.3
175.03996	0.9
176.02756	0.8
207.10036	0.4
227.03485	1.3
256.03772	4.8
269.04547	3.2
283.02673	0.6
284.03244	77.5
285.03625	7.2
295.06207	0.6
298.04773	0.6
299.05591	100.0
300.05945	9.1
341.06790	0.7
356.79004	0.5
475.08804	63.9
476.09161	9.8
535.54102	0.5
570.15637	0.6
765.86456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.6
61.98825	4.4
71.01376	1.8
78.95894	0.9
83.01393	0.8
85.02979	0.8
89.02449	1.3
95.21420	0.7
99.92634	0.8
101.02448	2.0
108.17538	0.7
113.02471	1.5
114.93390	1.3
116.92874	6.5
125.02460	1.2
125.09712	0.9
127.11295	1.6
161.04568	1.1
166.66951	0.6
171.10268	100.0
172.10617	6.5
195.13847	4.0
209.11826	4.1
210.12143	1.9
211.13412	0.8
212.55490	0.8
223.13409	2.3
235.08206	6.0
253.09277	10.4
254.09671	1.1
271.29779	0.7
275.20206	5.1
289.54483	0.9
293.21231	40.4
294.21436	4.4
295.22708	2.2
296.23175	1.0
371.74554	0.7
407.19315	4.4
629.21155	1.2
639.02612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	23.9
71.21118	7.4
71.21442	8.4
78.95901	100.0
80.61284	7.5
86.71139	6.8
106.21146	6.7
109.51948	7.1
132.87102	7.3
144.84375	7.3
152.99573	45.0
171.10217	8.4
178.88467	6.7
195.13927	12.5
196.89442	27.3
209.11832	11.2
211.13397	17.4
212.22806	7.9
263.35193	6.8
277.21710	13.6
281.24792	14.8
295.22742	25.8
311.22052	14.6
316.26645	7.5
431.21835	8.8
447.21490	14.5
465.22867	8.9
562.32172	9.0
583.47253	8.9
729.94354	8.3
743.44824	72.9
744.43982	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	743.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.5
59.01374	7.3
69.03464	2.5
70.37315	2.0
71.01376	6.1
71.52150	2.8
73.02940	2.5
81.03455	20.3
83.01382	16.2
84.88555	1.6
85.02950	14.5
87.00887	2.1
89.02447	2.8
93.03472	8.4
95.01393	5.3
95.05007	9.5
96.96014	1.7
97.02946	10.9
99.04527	9.7
101.02468	2.7
107.05023	3.9
109.02944	6.8
111.00872	2.1
111.04520	5.9
113.02445	6.5
119.05032	46.6
120.99556	1.9
121.02939	7.5
122.06156	2.2
123.00881	1.9
123.04524	41.8
124.04859	2.1
125.02450	53.6
125.06065	2.1
126.02792	3.4
135.04547	7.5
137.02437	16.6
137.06100	4.7
139.03986	5.9
147.03020	1.8
147.04535	3.3
149.02444	3.0
151.03983	8.9
153.01912	2.0
153.05573	5.0
155.03490	3.1
162.67538	1.8
163.04008	83.1
164.04381	5.4
165.01953	4.2
165.05573	6.1
166.02536	2.2
167.03494	62.5
168.03787	4.9
173.04539	8.6
177.01884	5.3
177.05598	3.9
179.03487	18.0
180.03842	2.1
181.04971	3.7
191.01949	7.4
191.03546	4.4
191.05615	21.5
192.05957	2.1
193.05019	4.4
197.04552	21.1
199.51814	1.7
205.04935	1.7
209.03023	7.6
209.04575	100.0
210.04968	5.8
211.06197	1.6
221.04616	7.6
233.04369	1.7
239.05595	95.2
240.05922	6.2
251.05602	5.4
269.06659	35.9
270.06912	2.0
281.06674	6.6
299.07776	11.7
311.07693	8.4
324.77579	1.5
329.08823	16.0
329.13870	4.3
337.09247	36.6
338.09689	3.1
341.08829	3.1
343.23068	1.8
355.06693	1.9
405.17722	16.7
406.17786	2.4
419.11920	9.3
521.20337	2.5
533.13031	41.1
534.13293	6.9
563.14063	35.6
564.14398	6.7
593.14960	8.6
605.15186	5.9
623.16156	20.9
624.16656	4.8
635.16260	5.3
636.16156	2.2
653.17395	21.6
654.18042	3.9
665.17621	2.8
725.18713	4.6
743.20276	21.9
744.20648	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	741.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31345	0.7
53.78646	0.7
57.03436	1.8
59.01377	6.4
61.20955	0.7
61.98830	3.5
64.14771	0.7
69.03440	1.0
71.01382	5.7
73.02927	1.3
85.02943	3.0
87.00858	1.3
89.02443	2.6
95.05023	1.3
96.96018	0.9
97.02939	1.6
97.06603	6.1
101.02436	4.2
111.08114	2.2
113.02431	2.7
116.92869	1.0
125.02419	0.8
125.09676	0.9
151.11278	12.8
152.11584	0.7
165.12808	1.6
169.12337	79.7
170.12682	3.8
170.67613	0.8
171.10257	1.5
180.63484	0.7
195.10168	1.9
197.11824	11.3
209.11809	5.9
210.12128	1.6
211.13362	3.1
212.13873	1.1
213.11311	10.5
227.12798	2.1
228.13295	0.9
235.08165	1.5
247.20763	0.9
253.09232	4.6
281.70782	0.8
291.19711	5.8
295.22488	1.7
309.20676	6.9
310.21011	1.2
431.19125	2.4
449.20148	5.5
466.06168	0.8
741.40686	100.0
742.40967	25.3
763.90814	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04593	1.1
57.63560	1.4
59.01366	5.6
61.98819	3.2
65.44009	1.1
67.91380	1.1
69.40443	8.5
71.01364	4.9
73.02940	2.0
78.17979	1.3
85.02931	2.1
87.63374	1.2
89.02430	2.6
96.96013	5.8
97.06596	5.7
98.95609	1.8
101.02450	3.8
111.08128	3.6
113.02438	2.1
115.92064	1.9
116.22386	1.2
116.92841	3.8
126.16698	1.1
151.11278	15.9
169.12343	66.3
170.12659	5.1
195.10260	2.6
197.11830	21.9
199.13402	1.6
209.11804	8.7
211.13329	5.9
212.13631	1.2
213.11348	8.3
227.12859	2.5
253.09265	6.9
291.19543	3.4
293.21350	1.9
294.21445	1.3
295.22406	4.1
309.20682	6.4
431.19339	2.0
448.76965	1.5
449.20053	1.5
607.46088	1.4
741.40680	100.0
742.41211	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	9.3
61.98832	22.0
69.71696	16.2
71.01380	4.6
72.40926	2.8
80.96522	3.7
83.04987	3.0
84.47695	2.7
87.00900	5.1
89.02454	4.0
96.96004	7.2
98.20596	5.9
101.02407	5.2
103.26546	3.1
112.04118	3.2
118.12255	3.3
125.02443	7.5
136.05286	3.4
149.80067	2.9
165.12875	4.3
177.01964	4.2
199.13443	17.1
207.07385	3.7
207.10365	4.2
209.11823	100.0
210.12256	7.5
216.48218	3.1
227.12886	83.1
228.13252	6.3
229.14323	4.9
235.08214	7.5
253.09317	5.8
327.21902	5.2
340.30905	3.1
359.34909	3.3
401.23419	4.0
419.24313	4.9
420.03125	3.4
445.20862	11.6
463.21655	20.7
464.22308	4.2
545.24030	4.2
637.32239	29.9
638.32306	6.2
644.03394	3.3
655.33447	45.6
656.33514	12.3
673.34369	22.7
709.31952	12.2
741.34692	29.5
742.35321	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	741.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76683	1.4
59.01367	1.4
83.05013	2.0
191.10934	1.3
209.11826	100.0
210.12163	8.3
227.12901	20.4
228.13237	1.6
229.22151	1.7
235.08105	3.0
238.64871	1.3
253.09254	4.0
334.63495	1.6
415.72375	1.5
429.68689	1.3
445.20560	11.8
446.21149	2.2
447.08749	1.5
462.55460	1.4
463.21457	1.9
637.32257	1.9
641.80713	1.6
652.83173	1.5
655.33966	1.5
673.34290	2.0
716.98077	1.7
741.34729	32.8
742.34888	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	741.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07951	0.3
55.95694	0.3
57.03442	0.7
57.42888	0.3
59.01385	1.3
60.99297	0.3
67.01897	3.1
69.03456	0.7
70.85035	0.7
71.01373	2.2
81.03454	1.2
83.05012	0.6
85.02516	0.3
85.02959	1.7
86.58221	0.3
87.00885	0.6
93.03460	19.9
94.03786	0.8
104.98502	0.3
109.02930	0.8
111.00922	0.6
111.04519	3.7
119.05032	16.0
120.05348	0.5
122.05806	0.3
127.04016	0.6
137.02475	3.8
145.02995	0.4
155.03496	3.5
163.04018	13.4
164.04482	0.4
173.04552	100.0
174.04893	4.2
178.42924	0.3
191.05615	12.4
192.05949	0.6
292.94699	0.3
306.07742	0.4
337.09283	43.1
338.09558	4.4
369.13153	0.3
432.56607	0.3
433.67770	0.3
487.46078	0.3
647.54932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39097	0.1
59.01379	0.4
61.98831	100.0
62.98545	0.1
70.90866	0.2
71.01401	0.1
83.05025	0.2
93.03461	0.1
96.02782	0.1
173.04506	0.1
214.71101	0.1
226.16496	0.1
453.33646	0.1
468.99707	0.1
678.50525	0.2
679.50323	0.5
680.50616	1.5
681.50873	0.1
740.49146	2.2
740.61029	0.2
741.49774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86235	0.2
57.03450	0.9
59.01373	1.2
60.99298	0.5
67.01888	3.5
69.03455	0.8
71.01380	2.8
72.20173	0.2
79.46616	0.1
81.03457	0.6
83.05027	0.8
85.02944	2.5
87.00885	0.7
93.03458	21.5
94.03792	0.6
96.02145	0.2
99.00878	0.2
99.04519	0.3
109.02944	0.6
111.00885	0.7
111.04523	4.1
113.02434	0.3
116.64422	0.2
117.44379	0.2
119.05029	17.3
120.05332	0.7
125.02448	0.3
127.04002	0.8
129.01923	0.3
134.76265	0.2
135.04552	0.2
137.01474	0.3
137.02435	3.4
138.02797	0.3
145.02914	0.6
155.03500	3.4
163.04004	13.0
164.04353	0.7
173.04541	100.0
174.04893	4.1
191.05606	15.2
192.05989	0.8
303.75449	0.2
306.07660	0.5
337.09280	47.5
338.09631	4.1
672.66364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
60.08335	0.1
61.98830	100.0
62.98527	0.2
62.99292	0.1
63.84620	0.1
69.51130	0.7
71.01391	0.6
83.05032	0.2
85.02966	0.2
89.02465	0.5
97.02973	0.2
97.16864	0.1
98.19909	0.2
99.92564	0.3
101.02438	0.5
105.76617	0.1
108.62064	0.1
111.08166	0.2
113.02461	0.3
116.92855	1.7
119.03476	0.2
122.73127	0.1
125.02467	0.1
131.06628	0.1
146.26918	0.1
161.04594	0.3
162.74333	0.1
165.12842	0.2
169.12393	0.1
171.32512	0.1
171.97365	0.1
183.13922	0.7
195.13968	0.5
197.11823	1.6
198.12221	0.6
199.13440	0.3
203.70335	0.1
209.11827	3.9
210.12253	0.4
211.13385	7.7
212.13736	3.5
213.14154	0.1
227.12854	1.0
228.13225	0.4
235.08183	0.6
236.08479	0.2
253.09277	1.7
254.09560	0.3
276.20978	0.1
277.21725	0.5
279.23370	0.2
280.23651	0.4
281.24063	0.1
291.19638	0.8
292.19971	0.6
293.21271	1.0
294.21613	0.6
295.22763	3.3
295.25919	0.2
309.20715	2.1
310.20996	1.5
311.21622	0.1
398.13867	0.2
399.14084	0.3
442.22018	0.1
447.22562	0.3
448.22736	0.3
522.47894	0.1
591.30865	0.1
732.37451	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	740.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50698	0.2
56.41777	0.2
56.97153	0.2
59.01377	0.9
61.98830	100.0
70.99068	0.4
71.01385	1.0
83.05011	0.2
85.02979	0.3
89.02473	0.6
95.05016	0.2
101.02467	0.9
111.08130	0.4
116.92875	0.6
119.03529	0.2
153.12906	0.2
155.59863	0.2
161.04565	0.3
165.12910	0.3
169.12321	0.3
171.10333	0.6
180.83008	0.2
183.13908	1.5
184.14291	0.6
193.12434	0.3
195.13895	0.2
197.11852	2.2
198.12242	0.8
199.13512	0.2
209.11821	3.4
210.12241	1.1
211.13390	14.8
212.13747	6.3
212.15842	0.2
227.12944	0.8
235.08286	1.1
235.30215	0.2
236.08594	0.3
248.20995	0.2
253.09291	2.2
254.09694	0.8
280.23624	0.2
291.19748	1.9
292.19998	1.1
293.21222	2.8
294.21613	1.6
295.22839	0.3
309.20706	4.5
309.24124	0.3
310.21082	3.5
311.22040	0.6
393.73618	0.2
399.14023	0.4
447.22522	0.6
448.22931	0.7
527.28680	0.3
528.29144	0.2
546.30005	0.4
740.43732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
57.03443	0.8
59.01380	6.7
61.98835	12.6
69.03443	1.2
70.10064	1.3
71.01385	6.5
71.63847	0.4
72.99284	0.4
73.02950	1.3
77.67966	0.4
78.95882	0.6
80.02657	0.7
81.03440	0.8
83.01422	0.5
83.05028	2.4
85.02956	1.5
87.00883	1.6
89.02440	4.7
95.01378	0.7
97.02935	0.7
97.06606	0.6
98.19979	0.8
99.18877	0.5
101.02454	5.0
109.06615	1.1
111.08155	5.6
113.02443	3.3
113.09747	1.8
116.92867	1.9
119.03464	1.0
121.10261	0.7
127.07626	0.7
135.08151	0.7
143.03511	0.5
145.05019	0.7
151.11302	0.5
153.12843	0.7
161.04614	2.2
161.30995	0.4
163.11301	2.0
165.12827	4.0
166.13301	0.5
167.10815	0.6
169.12320	2.1
171.10275	1.8
171.44057	0.5
173.38570	0.4
179.05600	0.8
179.10941	0.6
181.12340	1.1
183.13902	22.0
184.14281	1.3
193.12312	2.0
195.13939	2.3
197.11824	23.8
198.12173	1.6
199.13400	1.6
209.11829	35.4
210.12109	1.9
211.13390	100.0
212.13728	5.8
223.13345	1.4
227.12848	7.0
235.08212	6.0
247.20630	1.3
253.09279	17.6
254.09644	0.9
263.20172	1.7
273.18716	1.1
275.20209	3.7
276.20459	1.0
291.19684	16.2
292.19980	1.6
293.21225	35.1
294.21533	3.7
309.20718	48.0
310.21039	4.5
410.48572	0.6
433.20432	0.6
445.20938	0.6
447.22415	5.2
527.28882	1.6
529.30463	0.6
545.29785	3.6
572.79584	0.6
682.59143	0.5
739.42688	22.8
740.43158	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	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84166	0.8
57.03434	1.4
57.16613	0.7
59.01376	7.2
61.53820	0.8
61.98812	2.9
63.19204	0.7
69.47877	5.1
71.01373	6.3
71.05013	3.3
73.02940	1.2
78.95901	2.9
83.05000	0.9
85.02946	2.2
87.00864	1.3
89.02437	2.4
92.13492	0.8
92.81024	0.7
95.01366	1.0
95.05005	1.4
97.02946	3.1
97.06579	1.4
98.19754	0.7
99.00883	9.6
101.02437	4.2
109.06577	2.4
110.91385	0.8
111.04559	0.7
113.02408	3.1
123.08118	0.9
125.09727	6.5
127.11337	1.4
135.08127	0.9
152.99483	1.6
161.04532	1.5
163.11292	7.6
171.10269	17.6
181.12343	9.5
197.11887	1.6
199.11697	1.2
199.13414	11.7
201.11320	2.5
207.10268	29.0
208.10603	1.4
209.11832	1.5
211.13309	1.9
225.11320	39.2
226.11612	2.8
227.12924	1.0
235.08199	4.5
243.12343	7.6
253.09189	6.7
277.21719	85.1
278.22067	8.6
279.23126	0.9
291.19623	1.3
293.21155	2.1
437.12445	0.8
443.18878	2.5
461.20361	5.3
721.41772	6.7
722.41504	1.5
739.42670	100.0
740.43085	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	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19978	0.2
57.03444	0.4
59.01379	3.7
61.98831	16.6
62.98558	0.3
69.03476	0.2
69.89371	0.5
69.89790	0.5
71.01381	3.1
73.02948	0.7
80.02676	0.7
81.03451	1.5
83.01403	0.4
83.04549	0.1
83.05027	3.8
84.02181	0.6
85.02960	0.9
86.66763	0.2
87.00870	0.8
89.02444	2.3
95.01387	0.4
95.05029	0.7
97.02953	0.4
97.06634	0.3
98.20556	0.3
99.00897	0.3
101.02448	2.7
109.06569	0.2
111.08170	0.5
113.02425	1.9
117.54296	0.2
119.03500	0.6
121.10226	0.2
125.02430	0.5
125.06113	0.4
125.09720	0.2
126.79268	0.2
132.25133	0.2
134.55093	0.2
135.08177	0.5
147.11821	0.2
156.15933	0.2
161.04530	1.4
163.11298	3.4
165.12827	2.1
167.03508	0.3
167.10736	0.3
168.11369	0.2
171.10240	1.5
179.05600	0.6
179.14484	0.5
181.12334	0.6
183.13901	0.7
191.10806	1.0
195.12120	0.3
195.13910	4.6
195.15598	0.4
196.14548	0.6
197.11858	1.0
205.12497	0.2
209.11829	100.0
210.12173	6.8
210.14194	0.2
211.13400	7.7
212.13741	0.6
223.13417	3.4
224.13921	0.5
227.12888	11.2
228.13376	1.1
235.08206	2.6
251.16530	0.3
253.09285	14.2
254.09631	0.9
256.13065	0.3
275.20135	5.5
276.20483	0.4
291.19751	1.6
292.20026	0.2
293.21225	59.3
294.18204	0.3
294.21545	5.7
309.20700	2.7
310.21143	0.4
445.20764	1.5
446.21237	0.3
447.22046	0.3
463.22122	0.3
476.23929	0.2
503.34210	0.2
529.30365	0.6
670.35370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21723	0.2
57.03439	0.6
58.00592	0.3
59.01070	0.3
59.01378	4.5
61.98822	1.5
69.03450	0.4
70.63522	0.5
71.01385	2.8
72.01748	0.2
72.99308	0.3
73.02937	0.6
80.02672	0.9
81.03434	1.1
83.01360	0.5
83.05022	4.1
84.02172	0.7
85.02945	0.7
87.00864	0.6
89.02435	2.6
95.01393	0.3
95.05026	0.6
97.02939	0.3
97.06589	0.2
101.02436	3.4
103.04066	0.2
109.06547	0.2
111.08183	0.4
113.02466	1.5
119.03503	0.8
125.02444	0.4
125.06091	0.3
125.09750	0.3
131.03517	0.2
135.08154	0.4
143.03508	0.3
145.05135	0.2
161.04572	1.6
163.11290	3.5
165.12854	1.9
171.10275	1.4
179.05556	0.7
179.14377	0.5
181.12341	0.7
181.84975	0.2
191.10764	0.8
195.13895	5.7
196.14461	0.9
199.13420	0.4
205.12288	0.4
205.15927	0.5
209.11818	100.0
210.12154	6.6
211.13385	3.0
223.13383	3.9
223.15395	0.4
224.13914	0.4
227.12886	12.0
228.13313	1.2
231.21182	0.5
232.93216	0.2
235.08183	2.6
253.09273	17.2
254.09613	0.9
256.13086	1.1
265.21457	0.2
275.20123	7.1
276.20496	0.6
291.19678	0.7
293.21222	80.3
294.18173	0.4
294.21542	7.7
309.20523	0.6
405.83664	0.2
445.20911	1.1
485.32266	0.4
492.22266	0.3
503.33676	0.4
505.88971	0.3
529.30023	0.7
546.16876	0.2
670.35669	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79203	0.1
55.28972	0.1
59.01373	0.6
61.98830	100.0
62.98523	0.2
69.68513	0.1
70.62544	0.2
70.62881	0.2
71.01408	0.3
74.57853	0.1
83.05012	0.2
85.02977	0.1
89.02435	0.2
101.02450	0.4
113.02457	0.2
122.23979	0.1
123.35199	0.1
125.02471	0.2
143.03477	0.1
144.40755	0.1
152.67094	0.1
163.11279	0.2
165.12823	0.1
166.90625	0.1
182.08963	0.1
185.63057	0.1
195.13980	0.4
209.11813	7.8
211.13412	0.6
223.13419	0.2
227.12851	1.0
235.08269	0.2
240.69882	0.1
253.09244	1.2
275.20175	0.4
277.21768	0.2
278.22009	0.2
279.22388	0.3
293.21213	5.0
301.24005	0.1
397.13382	0.1
398.13956	0.2
399.13943	0.4
400.14630	0.2
417.15564	0.1
445.20850	0.1
549.69598	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.4
58.00582	1.2
59.01372	9.5
59.55463	1.2
61.98841	9.8
69.31596	9.6
71.01383	10.7
71.05024	2.5
73.02927	2.3
76.46021	1.3
78.95895	2.0
81.98866	1.0
83.04981	1.1
85.02948	3.2
87.00867	1.4
89.02429	5.3
95.05021	1.8
96.96014	9.7
97.02936	4.5
97.06577	2.0
99.00877	11.2
101.02440	8.0
109.06584	2.6
113.02428	3.1
118.84540	1.2
125.02412	1.5
125.09739	6.0
127.11258	1.4
152.99547	1.3
161.04649	1.3
163.11313	9.0
171.10268	45.1
181.12363	16.9
189.09193	1.1
197.11865	1.8
199.09726	2.1
199.13387	24.4
201.11307	5.1
207.08366	2.6
207.10239	35.7
208.10640	1.4
209.11819	4.6
211.13409	2.6
225.11313	72.8
226.11612	4.8
227.12811	1.4
235.08209	3.2
243.12372	16.3
253.09282	12.4
277.21719	88.8
278.22128	7.8
291.61374	1.1
292.72156	1.2
293.21317	1.8
315.64578	1.4
407.19113	1.2
443.19287	2.3
461.20193	11.8
479.21124	2.1
634.50372	1.2
643.22406	1.4
721.41583	6.2
722.42334	1.6
739.42676	100.0
740.42981	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89293	0.2
58.03260	0.3
59.01377	13.8
67.87336	0.2
68.07515	0.2
70.57673	0.2
78.64029	0.3
81.03452	4.5
83.05025	12.1
84.05358	0.4
85.58242	0.2
96.43427	0.2
107.06138	0.4
125.02452	0.6
125.07178	0.6
126.05633	0.3
143.08272	0.3
181.52573	0.3
207.14993	0.9
224.17677	1.7
225.16074	11.8
226.16344	0.5
241.69788	0.2
242.18663	0.9
251.21936	0.3
289.72800	0.3
293.33063	0.2
309.21823	0.8
321.52988	0.3
324.26633	0.5
333.23035	0.5
341.29257	0.7
367.27014	1.2
433.31714	1.0
450.34393	1.2
451.32864	7.5
452.33139	1.3
550.43390	0.9
565.44470	0.4
593.43805	0.4
659.48480	1.6
660.48199	0.3
677.49658	100.0
678.49969	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	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54448	0.1
58.41432	0.1
59.01385	0.2
61.98831	100.0
62.98539	0.2
69.27216	0.1
70.82185	0.2
70.82516	0.1
132.71576	0.1
209.11935	0.3
212.01016	0.1
220.75833	0.1
250.14000	0.1
278.22162	0.2
279.22443	0.1
324.72552	0.1
398.13559	0.2
399.14050	0.1
422.66852	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	737.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	13.3
73.02956	4.0
78.95896	10.9
81.67284	3.1
101.28088	3.6
126.13210	3.5
145.86679	3.3
165.57263	4.1
165.65768	3.7
174.91125	3.5
196.89429	5.9
209.11819	80.8
210.12120	4.8
227.12892	18.0
235.08197	13.8
253.09344	11.6
255.23279	100.0
256.23581	6.9
452.94629	3.8
491.32178	9.5
538.19354	3.9
604.56104	3.5
665.82404	3.9
720.30756	5.1
737.42297	42.7
738.42108	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	737.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.7
59.01379	5.9
61.98825	5.3
69.03453	4.4
70.25629	0.5
71.01379	5.5
71.05002	0.7
73.02953	0.7
81.03465	0.5
83.01391	0.8
85.02961	2.1
87.00882	1.1
89.02434	1.6
95.01418	0.7
95.75883	0.6
97.02984	0.8
97.06554	1.0
98.20669	1.5
99.02672	0.6
101.02422	3.4
113.02433	2.1
123.08189	1.1
125.09670	1.4
150.25362	0.5
151.11221	2.8
153.12788	1.2
161.04555	0.9
161.09668	3.5
169.12326	2.4
174.62503	0.7
179.10793	7.0
197.11821	41.7
198.12122	3.2
207.10329	1.1
207.38226	0.6
209.11839	1.5
223.09637	1.5
233.61455	0.5
235.08142	0.7
241.10808	1.7
253.09224	2.6
255.48888	0.8
277.21725	49.2
278.22095	4.0
293.21222	1.2
344.67276	0.7
358.91827	0.6
467.57333	0.7
477.19498	1.3
676.53851	0.8
719.40027	0.9
737.41132	100.0
738.41425	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76105	0.3
55.01871	0.3
59.01376	1.4
61.98831	53.2
62.99268	0.3
63.99255	0.5
71.01370	1.4
71.53075	0.4
73.02954	0.5
80.02694	0.9
80.96531	0.6
81.03452	0.9
83.05018	3.7
84.02177	0.6
85.02962	0.5
89.02473	1.0
95.05032	0.6
97.06639	0.3
101.02456	1.3
101.35226	0.3
113.02467	0.5
116.92870	0.5
119.03503	0.3
125.06071	0.4
135.08194	0.6
161.04527	0.6
163.11301	3.2
164.09433	0.2
165.12865	2.1
171.10291	1.0
173.04639	0.3
179.05679	0.4
181.12384	0.5
191.10760	1.0
192.38666	0.2
209.11823	100.0
210.12170	6.6
227.12881	15.0
228.13214	1.2
235.08200	2.0
252.08778	0.2
253.09264	5.2
300.34503	0.3
401.23294	0.4
445.20679	3.1
446.21252	0.7
463.21771	0.4
637.31958	0.8
691.94775	0.3
737.30725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81458	0.6
57.03447	1.1
59.01376	4.8
61.98832	5.9
69.03456	3.1
70.98607	0.8
71.01374	5.4
71.05023	2.2
73.02936	1.1
78.95908	1.0
80.96530	0.8
85.02940	1.3
87.00871	0.6
89.02460	2.3
96.07697	0.5
101.02438	3.6
101.41205	0.6
109.06603	0.7
113.02438	2.4
119.03503	0.8
121.33635	0.6
123.08156	1.2
125.09735	2.4
151.11285	1.6
152.99622	0.6
153.12843	1.7
161.09703	2.6
169.12309	1.6
179.10751	6.1
197.11823	85.3
198.12183	5.2
205.08778	0.6
207.10268	0.9
219.01784	0.6
223.09753	2.2
225.11281	0.8
226.70190	0.5
235.08008	0.6
241.10840	4.1
253.09271	3.4
277.21707	24.9
278.22028	3.5
293.21399	0.8
315.05029	0.9
423.88660	0.6
477.19666	2.0
737.41119	100.0
738.41479	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61095	0.7
55.99541	0.7
59.01373	1.1
60.55372	0.8
61.98830	100.0
71.01412	1.9
71.52322	0.8
71.52702	0.9
75.00903	0.9
78.91879	0.9
79.95747	2.8
80.96511	3.6
94.98126	1.1
96.96043	1.3
101.02454	1.4
116.92864	5.1
125.02513	0.8
162.92271	0.8
164.98592	1.4
171.10330	1.2
197.11853	2.3
204.36874	0.7
209.11812	12.7
210.12189	1.1
211.13443	2.8
223.13356	3.9
225.00780	1.9
227.12854	1.8
253.09389	2.3
289.18155	1.3
291.19757	3.3
309.20724	2.1
380.52530	0.8
459.22995	1.1
587.75409	0.8
665.28809	1.8
737.34479	6.4
738.34009	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.03429	0.8
58.00597	1.1
59.01381	29.5
61.98831	3.3
69.03455	1.4
70.66029	1.2
71.01381	25.4
72.27624	0.6
72.99309	1.6
73.02946	3.5
74.88422	0.7
80.10193	0.7
81.03448	1.2
83.01402	2.6
85.02950	6.8
87.00867	5.0
89.02448	20.6
93.34834	0.6
95.01383	2.2
97.02938	3.2
99.00858	1.4
101.01804	1.4
101.02444	20.7
109.02972	0.9
111.04527	0.9
112.03481	0.8
113.02446	9.4
119.02711	1.2
119.03474	5.7
125.02459	8.8
131.03519	1.0
141.01852	0.8
143.03493	3.9
161.04541	4.1
179.05640	3.3
207.10304	1.2
209.11818	6.6
211.13429	4.3
221.06569	1.5
225.11264	0.8
227.12868	1.5
235.08267	10.2
253.09219	2.3
263.07825	0.9
277.09128	0.9
279.23279	76.2
280.23596	7.2
287.07782	2.1
289.18051	1.0
291.19617	5.6
305.08820	3.3
307.19009	0.8
397.13489	100.0
398.13727	8.2
415.14566	31.7
416.14816	2.2
480.54001	0.7
677.37231	2.7
678.38226	0.9
737.40765	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	737.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
61.98829	35.7
63.96228	1.3
69.03464	0.9
70.82164	0.9
70.82501	1.3
71.01385	7.4
73.02948	2.2
78.98595	5.0
79.95736	11.1
80.96516	68.3
81.03453	1.2
83.01384	0.9
85.02936	2.8
87.00870	3.5
89.45982	0.7
94.98086	17.3
96.95994	1.4
97.02938	2.3
101.02453	3.4
106.98071	2.3
122.06039	0.8
122.97562	3.1
125.02451	4.3
125.09666	1.2
127.03991	0.9
131.49831	0.8
134.97563	5.0
136.20990	0.7
148.99106	6.0
152.98615	6.8
164.98615	12.5
165.12831	1.4
183.13905	6.4
206.99646	2.5
209.11821	2.8
211.13431	0.8
225.00740	23.6
227.12869	0.8
333.69925	0.7
355.47540	0.7
366.31586	0.9
423.18546	0.8
458.29184	0.8
509.17252	3.7
693.30994	1.6
694.34583	1.4
737.30560	100.0
738.29437	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27081	0.4
59.01367	1.3
61.98829	45.5
63.96230	1.8
69.03442	0.8
71.01000	0.7
71.01381	7.4
73.02943	1.8
78.95916	0.6
78.98582	5.7
79.95737	13.3
80.96516	76.3
83.01398	0.8
85.02942	2.6
87.00871	2.6
94.98080	17.0
95.01414	0.7
96.96010	6.4
96.96972	0.5
97.02956	1.7
99.00887	0.6
101.02439	2.6
106.98115	2.4
116.92846	0.7
122.97589	3.8
125.02442	4.2
127.03999	1.1
134.97581	5.9
136.99142	1.4
148.57889	0.5
148.99132	6.2
152.98630	6.1
164.98619	15.8
165.12836	1.3
183.13895	7.0
188.98691	0.6
203.45044	0.5
206.99620	2.9
209.11766	2.9
210.12129	0.7
211.13379	1.1
225.00731	25.3
226.00980	1.1
227.12827	1.1
283.04813	0.5
291.19656	0.6
509.16864	3.4
693.31793	0.7
737.30573	100.0
738.30756	18.3
763.37653	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42753	0.6
57.03445	0.7
59.01353	1.0
60.36828	0.5
61.30981	0.5
61.31297	0.5
61.98834	3.9
63.96222	0.6
69.03432	0.8
70.71452	0.7
70.71777	0.8
71.01387	7.9
73.02952	2.5
78.98606	6.0
79.95288	0.8
79.95737	13.9
80.96519	67.6
81.03439	0.7
85.02954	2.7
87.00864	2.3
89.02425	0.6
94.98089	15.2
96.96014	1.1
97.02931	1.7
99.64266	0.5
101.02460	2.6
106.98090	2.7
122.97574	3.3
125.02439	3.4
127.04002	0.9
134.97580	5.0
136.99123	1.4
146.97665	0.6
148.99130	6.4
152.98645	7.2
164.98625	12.7
167.00162	0.7
206.99748	3.0
209.11778	3.7
225.00732	23.5
226.01059	1.1
229.29282	0.6
283.04956	1.0
304.14670	0.6
317.54974	0.5
329.60168	0.6
374.79889	0.6
509.16882	5.2
510.17194	0.9
737.30597	100.0
738.30908	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99878	0.1
59.01366	0.1
61.66727	0.1
61.98829	100.0
62.98532	0.2
67.39281	0.1
68.91254	0.1
77.04876	0.1
80.96523	0.2
88.98830	0.1
96.95901	0.1
103.65762	0.1
116.92886	0.1
125.02438	0.1
182.22307	0.1
209.11893	0.4
210.12236	0.2
240.12723	0.1
450.31915	0.1
604.32635	0.1
737.30786	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.1
59.01381	1.8
59.63728	0.1
60.01723	0.1
61.98829	100.0
62.98541	0.3
65.65030	0.1
69.03445	0.2
71.01379	1.3
71.51624	0.1
72.01741	0.1
72.99326	0.2
73.02953	0.3
78.95920	0.4
83.01402	0.1
85.02974	0.2
87.00882	0.3
89.02440	1.3
95.01386	0.1
97.02980	0.2
101.02435	1.0
102.02740	0.2
102.15785	0.1
109.06614	0.2
113.02443	0.5
119.03535	0.3
125.02453	0.5
134.58237	0.1
152.99619	0.2
161.04550	0.2
167.03606	0.2
171.10297	0.2
179.05621	0.2
201.35759	0.1
207.10213	0.2
209.11903	0.6
211.13370	1.1
212.13713	0.2
225.11292	0.6
227.13004	0.2
235.08218	0.5
236.08521	0.2
253.09425	0.3
277.21735	1.7
278.22055	1.6
287.07782	0.1
288.08032	0.1
289.18100	0.8
291.19714	0.2
293.21341	0.5
397.13492	2.8
397.18414	0.2
398.13824	2.1
399.13901	0.2
415.14523	0.8
416.14841	0.7
442.68951	0.1
461.20679	0.1
676.37036	0.2
737.41046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57728	0.9
59.01379	5.9
61.98832	64.9
67.49271	0.9
71.01377	2.8
80.02691	1.1
80.96526	1.4
81.03481	1.3
83.05019	5.6
89.02461	1.3
96.96004	1.1
101.02441	1.6
116.92847	1.9
119.03505	1.0
125.02474	1.1
137.49472	1.2
155.15395	1.0
163.11273	2.4
165.12859	2.2
169.12366	5.5
177.01883	1.1
191.10764	1.1
197.11829	84.9
198.12198	4.9
209.11823	100.0
210.12167	7.6
211.13376	3.4
227.12895	16.7
235.08234	3.2
237.12570	1.1
237.14932	2.0
239.15579	1.3
253.09332	5.8
388.39584	0.9
389.23914	0.9
433.20898	9.0
445.20996	5.3
625.32306	2.3
643.34979	1.0
735.29950	1.4
740.18018	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41880	0.7
57.16972	0.7
59.01374	0.8
63.96218	1.2
69.03458	1.2
70.92348	0.7
71.01384	8.1
71.94368	0.7
73.02975	1.3
74.87041	0.7
78.95904	2.6
78.98586	6.9
79.95735	11.5
80.96519	76.7
85.02955	3.5
87.00860	3.1
89.73641	0.6
94.98093	18.1
96.90893	0.7
96.95972	1.8
97.02924	1.0
98.19926	1.5
99.00909	0.8
99.80618	0.7
101.02452	1.6
106.98110	4.5
108.00270	0.6
116.89452	0.6
117.77806	0.7
122.97609	3.9
125.02411	3.0
127.03996	1.3
134.97578	4.8
136.99162	1.4
143.05006	0.7
146.97552	0.8
148.99142	7.3
152.98628	7.1
164.98634	13.9
167.00012	0.9
170.64926	0.7
196.89413	2.7
197.11821	1.2
206.99637	2.3
224.98700	1.4
225.00752	19.1
226.01082	0.9
255.23216	3.0
277.21649	2.0
289.18158	1.4
479.15881	2.4
537.26587	1.2
641.81250	0.9
735.39893	100.0
736.40216	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	731.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81610	0.2
57.46350	0.2
69.77859	0.9
71.01395	0.2
85.02934	0.3
93.03470	1.1
98.20571	0.3
108.02159	0.4
117.03477	0.4
119.05029	93.7
120.05357	4.2
125.02441	0.2
137.02490	0.3
147.04512	0.2
152.01186	0.6
163.04010	100.0
164.04347	5.3
167.03514	0.3
173.04568	0.5
189.35057	0.2
191.05681	0.2
205.05040	0.3
289.07236	0.4
299.31021	0.2
325.09274	16.9
326.09601	1.8
569.14020	0.4
731.19519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.1
61.98830	100.0
71.15327	0.2
82.39417	0.1
97.88639	0.1
112.20304	0.1
131.50415	0.1
171.10345	0.2
209.11736	0.6
210.12111	0.2
211.13434	0.3
224.13835	0.1
224.33478	0.1
242.47350	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33651	0.2
59.01380	8.8
61.98822	0.5
66.91899	0.2
68.56308	0.2
69.03454	0.4
70.20027	0.2
70.52203	0.6
71.01384	6.5
71.05024	0.2
73.02943	0.7
83.05032	0.6
85.02979	0.5
85.46924	0.2
87.00859	0.6
89.02443	1.2
95.01398	0.2
95.05051	0.2
97.02962	0.2
99.00888	0.4
101.02449	2.1
109.06592	1.1
109.41278	0.2
109.84056	0.2
110.03742	0.2
113.02431	1.0
119.03493	0.3
125.02386	0.2
143.03488	0.3
145.05098	0.2
155.10777	0.4
161.04535	0.8
162.40909	0.2
163.11266	0.6
165.12828	0.4
167.10719	0.3
167.14412	0.6
171.10283	0.8
179.05627	0.3
181.12292	0.3
183.13902	6.7
184.14253	0.4
193.12350	1.5
199.09782	1.3
199.13300	0.4
201.11319	0.5
207.10265	3.5
209.11823	2.4
211.13387	100.0
212.13736	6.8
225.11311	2.4
227.12851	1.2
235.08270	2.1
253.09300	4.1
266.48328	0.2
271.53418	0.2
373.23663	0.4
383.22235	0.4
387.25397	0.3
391.24808	0.3
401.23270	0.6
420.24316	0.2
429.21164	2.0
435.18683	0.3
443.19434	0.3
447.22345	10.2
448.22852	1.0
461.20367	0.7
623.34149	2.2
624.34808	0.3
637.32520	0.8
641.35657	1.9
642.35693	0.6
655.33148	1.1
656.34521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.2
59.20156	0.1
60.78996	0.1
61.98829	100.0
62.42446	0.1
62.98553	0.1
79.95761	0.1
80.96520	0.3
112.61295	0.1
135.20294	0.1
140.74982	0.1
144.72728	0.1
171.10284	0.2
172.10564	0.2
173.10883	0.1
207.39024	0.1
229.06750	0.1
250.44804	0.1
260.66583	0.1
277.21555	0.2
278.22205	0.3
279.22443	0.2
319.60297	0.1
541.94336	0.1
606.31714	0.1
731.36517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	18.7
61.59595	0.6
61.98819	1.4
63.49450	0.5
68.72326	0.5
70.78480	1.2
87.00879	12.3
88.00416	0.8
88.01203	0.9
88.98805	100.0
89.02441	24.9
89.99155	1.1
92.77977	0.5
132.08974	0.5
133.25929	0.5
145.79309	0.5
173.01971	0.6
295.56802	0.5
401.76685	0.5
438.13269	1.6
439.14157	0.8
457.42389	0.6
467.13470	2.4
468.13733	0.9
481.15161	12.8
482.15750	6.3
483.16318	1.0
495.16949	1.4
496.17435	0.9
497.18417	2.7
498.18347	0.8
514.15057	8.9
515.15411	1.9
528.16132	1.0
529.16803	0.8
540.16797	3.3
541.16937	1.5
555.18854	41.9
556.19202	11.8
572.15631	7.0
573.16077	2.1
627.21228	0.7
633.76215	0.5
641.22266	2.6
642.23065	0.7
658.19891	0.5
659.23535	27.1
660.23993	7.3
676.22620	0.6
683.01648	0.7
731.25421	5.5
732.26270	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	729.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97115	0.8
57.03450	1.4
59.01381	5.6
60.84294	0.7
61.98824	2.2
69.03452	2.0
70.39265	0.7
71.01385	2.8
71.05016	1.3
73.02943	1.1
80.02679	0.8
83.05008	3.5
84.28947	0.7
84.33990	0.8
85.02932	1.4
85.42529	0.8
87.00883	2.9
89.02441	3.6
94.01147	1.0
96.14710	0.8
97.02938	1.0
97.06605	0.6
99.92626	0.7
101.02456	4.8
107.69137	0.8
109.06557	0.7
109.18338	0.7
111.08156	0.9
113.02460	2.2
116.92854	4.1
119.03493	0.8
125.06146	0.8
125.09710	2.4
127.11275	1.6
161.04495	1.7
163.11285	2.5
165.12892	1.6
167.10770	2.7
169.12265	0.8
171.10229	2.2
179.10783	1.1
179.14395	2.8
187.11475	0.7
195.13889	9.4
197.11842	4.5
201.11314	25.9
202.11650	0.9
205.12326	8.8
209.11819	79.8
210.12190	5.5
211.13354	1.8
223.13387	100.0
224.13713	8.3
227.12878	15.6
228.13278	1.0
235.08258	4.4
253.09277	16.4
261.14862	1.0
291.19443	3.6
306.52789	0.8
309.20660	11.9
310.21115	1.2
345.57739	0.8
437.20032	0.9
441.21371	1.0
445.20694	2.6
459.22357	20.6
460.22787	2.3
493.31750	1.5
633.32745	1.8
650.83521	0.9
651.33765	3.1
652.34418	0.9
669.35138	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.402
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64037	0.1
61.98829	100.0
62.98526	0.3
69.86340	0.6
80.96530	0.4
93.75345	0.1
99.51187	0.2
114.67326	0.1
147.65761	0.1
152.52658	0.1
157.38138	0.1
171.10274	0.3
172.10629	0.3
173.10899	0.1
197.39384	0.1
277.21902	0.2
278.22137	0.2
291.93063	0.1
371.94101	0.1
433.27686	0.1
731.36847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	10.2
59.01370	2.5
70.64394	1.3
70.64730	1.0
71.01355	1.0
81.03443	2.4
83.01385	4.5
85.02944	1.4
87.01579	0.9
89.02435	1.0
90.93317	0.8
93.03465	2.4
95.05080	1.1
97.02933	2.1
101.02482	0.9
105.03459	1.3
107.01398	1.1
108.02185	1.4
109.02949	15.6
117.03513	1.2
119.05030	1.6
121.02946	2.8
122.03749	1.0
123.00896	2.0
123.04521	8.2
125.02448	100.0
126.02757	2.7
133.02956	2.6
135.04521	3.5
137.02444	16.6
139.03993	2.5
145.02953	5.3
146.03731	1.4
147.04535	0.9
149.02435	5.1
151.03986	10.2
152.00679	0.8
158.03673	1.0
159.04517	4.6
161.02444	23.9
161.06064	4.3
162.03029	2.4
163.00343	3.5
163.04070	4.3
164.01166	3.0
165.01930	4.9
167.03532	1.9
169.01414	22.5
173.04570	0.9
173.06058	1.4
174.03136	1.2
175.03976	8.3
175.07483	0.9
177.01915	10.4
178.02373	1.2
179.03600	4.5
183.04494	1.6
185.06075	3.5
187.03969	6.5
188.04646	1.4
191.05579	10.4
193.01414	2.5
199.03996	2.3
201.05617	2.7
202.06219	1.3
203.03477	1.8
203.07133	7.1
205.01421	2.1
205.04985	4.6
209.06166	1.1
211.03984	1.7
213.05473	1.0
215.03491	1.2
217.05066	3.8
219.02945	1.8
221.08293	1.3
227.03493	2.9
227.07097	1.9
228.04274	1.4
229.04967	4.0
231.02994	1.2
243.02943	8.2
245.04579	5.9
245.08180	9.5
246.08687	1.1
253.04961	2.5
254.05733	1.3
255.03023	10.9
256.03699	5.5
257.04471	2.8
269.04483	4.0
271.06122	10.6
273.04034	2.2
281.04514	3.3
283.02393	2.1
285.04041	5.1
287.05594	8.7
289.07178	52.8
290.07498	5.1
297.04041	2.7
299.05591	2.4
303.04984	2.5
305.06662	1.1
307.14011	1.1
337.09363	2.7
339.08591	2.1
359.30539	1.0
381.09723	2.5
389.06680	7.3
391.08859	1.2
407.07697	82.9
408.08136	10.5
425.08801	7.4
426.09421	1.0
433.09213	4.8
441.08273	14.5
442.08539	1.4
451.10391	16.7
452.10495	2.5
479.08331	1.2
559.09399	5.4
577.13904	13.0
578.13745	1.8
603.11523	3.9
729.14386	7.1
730.14813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21963	0.3
57.92067	0.2
59.01380	12.3
59.62126	0.2
66.90958	0.2
69.44165	1.3
69.44570	0.6
71.01382	1.4
73.02939	0.3
85.02919	0.3
87.00893	0.5
88.98823	0.2
89.02455	1.3
101.02420	1.5
112.43175	0.3
113.02444	0.7
119.03481	0.3
125.09712	0.7
127.11274	1.8
139.34474	0.3
153.09218	0.5
153.46733	0.2
161.04552	0.8
162.09206	0.3
171.10269	100.0
172.10603	4.6
179.05649	0.5
209.11784	0.7
210.12225	0.4
218.68575	0.3
221.59752	0.2
233.22604	0.3
235.08192	1.7
253.09293	6.0
275.20398	0.3
277.21713	52.8
278.22055	4.9
407.19168	3.6
513.30664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.2
61.98812	0.3
69.36082	1.9
71.01385	2.0
72.22555	0.2
73.02943	0.6
73.72730	0.3
78.95901	0.3
83.01365	0.3
85.02946	0.5
85.09369	0.2
86.11213	0.3
87.00851	0.5
89.02431	1.4
101.02437	1.8
110.63783	0.3
113.02466	0.9
119.03496	0.4
125.09727	0.6
127.11292	1.5
144.28264	0.2
145.05064	0.3
152.28409	0.2
153.09235	0.3
161.04533	0.8
171.10262	88.5
172.10606	4.6
179.05612	0.6
199.16162	0.3
209.11781	1.4
210.12192	0.5
235.08221	3.9
253.09251	7.5
254.09673	0.6
259.20499	0.4
275.20273	0.3
277.21704	100.0
278.22055	10.8
279.23233	1.0
280.23752	0.8
281.24371	0.8
304.62234	0.3
314.39227	0.3
407.19232	1.3
407.23776	0.3
408.19397	0.3
513.30634	1.8
564.86121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85894	1.0
53.92667	0.9
59.01377	2.9
61.98825	5.6
63.96220	1.2
67.96198	0.9
70.53493	1.9
70.53853	2.4
71.01376	2.4
83.05039	2.5
85.02953	1.2
89.02451	2.3
96.21815	1.0
124.01804	1.1
125.02437	1.7
125.79407	1.0
137.02443	1.7
141.05579	1.5
161.04459	1.5
165.12759	1.3
201.11311	26.5
202.11646	1.9
209.11826	100.0
210.12149	7.8
217.90257	1.0
227.12874	27.2
227.60490	1.0
228.13197	1.8
235.08258	6.2
236.36403	0.9
253.09329	10.0
254.24898	1.0
272.07874	1.1
386.37866	1.1
419.19302	2.0
437.20358	4.4
445.20743	18.2
446.20938	2.4
463.21915	1.7
521.24115	1.8
585.26825	1.4
611.30457	1.8
629.31702	4.5
637.31952	3.3
647.32892	3.1
655.32678	1.3
673.33588	1.3
681.33081	1.5
709.32086	1.7
727.33160	32.9
728.33472	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	727.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
63.74328	0.4
63.92042	0.3
67.01890	0.9
69.61222	1.3
69.61624	0.9
71.01367	1.5
73.24252	0.3
74.50326	0.4
79.04398	0.3
81.03470	0.5
83.05027	1.1
85.02952	1.4
87.00878	0.8
88.04833	0.3
91.05509	0.5
93.03461	6.0
109.02959	0.6
111.04530	3.1
117.03481	0.7
118.15279	0.4
119.05019	1.3
121.02949	7.4
125.02457	3.1
132.02185	1.4
132.64160	0.4
133.02919	0.4
135.04533	0.8
137.02448	1.1
147.04515	4.6
149.02435	61.1
150.02783	2.9
151.04025	0.6
152.01097	0.5
155.03490	3.4
161.02403	0.4
163.04002	1.3
164.04788	52.1
165.05121	2.9
167.03477	1.4
169.01375	0.5
173.04539	17.9
174.04919	1.3
176.91344	0.4
177.02026	0.7
179.07138	4.5
186.87712	0.4
191.05603	6.8
192.32257	0.4
210.55347	0.4
223.06105	100.0
224.06424	5.6
243.02995	0.7
276.93509	0.4
289.07037	0.8
315.01730	0.5
397.11368	51.1
398.11728	6.3
405.06256	0.4
430.40723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79658	2.7
59.01369	4.9
59.01955	2.8
61.98824	8.1
64.80968	2.7
68.57432	2.6
71.10075	5.2
137.54956	2.7
139.68564	2.9
179.05721	3.1
189.58618	2.9
209.08551	4.3
209.11823	100.0
210.12202	5.8
211.13385	75.8
212.13651	4.9
227.12845	25.1
240.77383	2.8
253.09192	7.9
358.21667	2.8
429.21600	3.0
445.15363	3.0
445.20532	13.9
447.22183	6.9
621.32825	4.0
639.33826	10.8
657.34650	6.5
725.35101	51.0
726.35748	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43480	0.8
57.03423	1.3
59.01375	5.9
61.98813	3.5
66.67321	0.8
71.01362	4.7
71.52013	1.1
71.52418	0.9
73.02940	1.2
82.06682	0.9
83.01353	1.1
85.02973	1.3
85.28900	0.7
87.00879	1.4
89.02436	4.8
95.05035	1.5
97.02960	0.8
97.06593	4.4
98.76958	0.8
101.02433	3.5
102.78035	0.8
113.02440	1.6
115.13631	1.0
116.11556	0.7
119.03584	1.1
125.02414	1.1
151.11290	12.6
169.12335	82.1
170.12650	3.9
171.10214	0.9
181.76810	0.8
195.10330	1.6
195.13893	2.7
197.11839	1.8
200.60463	0.9
209.11789	1.0
213.11287	9.3
214.11678	1.1
223.13475	1.9
235.07945	1.2
253.09225	3.7
255.77164	0.9
275.20111	1.8
293.21213	13.1
294.21664	1.4
309.20670	0.8
449.20142	2.9
602.09082	1.0
725.41156	100.0
726.41571	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43291	0.3
52.76324	0.2
53.17537	0.2
55.54189	0.2
55.64049	0.2
57.03444	1.0
59.01377	3.9
67.01892	3.3
69.03458	0.8
70.03288	0.8
70.03705	0.6
71.01382	3.3
75.61947	0.3
76.91410	0.3
81.03455	0.6
83.01364	0.4
83.05006	0.6
85.02943	1.9
87.00893	0.4
89.02434	0.6
93.03457	19.8
94.03806	0.6
101.02461	0.6
109.02959	0.8
111.00885	0.9
111.04515	3.9
111.28727	0.3
113.02479	0.5
119.05022	15.5
120.05373	0.8
127.04021	0.8
128.90129	0.3
132.47672	0.2
137.02432	3.0
145.02985	0.5
155.03494	3.8
163.04005	13.6
163.11273	2.1
164.04338	0.6
173.04538	100.0
174.04872	3.8
188.60666	0.3
191.05602	13.5
192.05959	0.8
203.90208	0.3
239.61917	0.3
337.09262	41.7
338.09589	4.3
343.17651	0.6
348.93390	0.3
387.16544	9.8
388.17111	1.4
557.95270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19436	5.9
61.98820	18.8
70.90104	6.1
70.90416	10.4
84.59799	5.5
111.55474	5.7
115.79126	5.3
116.92819	6.8
182.47435	5.8
209.11844	73.2
211.13379	100.0
212.13699	13.0
227.12892	23.3
253.08977	5.8
313.09894	7.0
320.89011	6.0
437.34698	6.3
445.20767	13.4
447.22214	25.6
498.20401	6.7
590.47955	6.5
608.92242	7.1
639.33801	12.8
725.35376	58.3
726.35773	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	725.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70819	0.3
57.03439	0.6
59.01380	7.3
67.01887	3.5
69.03449	1.0
69.73110	1.5
71.01380	3.9
81.03477	0.7
83.05002	0.8
83.78294	0.2
85.02956	1.1
89.02457	1.2
93.03457	24.5
94.03825	0.5
100.00584	0.3
101.02447	0.9
109.02918	0.8
111.00860	1.0
111.04518	4.6
113.02435	0.7
115.04047	0.4
119.03543	0.6
119.05029	10.4
120.05383	0.5
127.04051	0.4
137.02434	4.1
155.03487	3.7
163.04004	15.0
163.11278	5.1
164.04301	0.6
173.04538	100.0
174.04872	3.7
191.01953	0.3
191.05586	2.2
216.31100	0.3
248.88490	0.2
337.09274	32.7
338.09659	3.1
387.16577	23.8
388.16934	2.5
493.05997	0.3
522.79437	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
57.08467	0.4
57.20790	0.4
58.26624	0.4
59.01378	8.9
60.78859	0.4
60.99287	0.6
67.01892	4.2
67.56678	0.5
69.03452	0.9
69.44921	3.4
71.01391	3.9
80.38434	0.5
81.03431	0.7
83.05021	1.0
85.02963	2.7
87.00879	1.0
89.02412	0.5
93.03461	21.5
101.02434	1.4
109.02957	1.2
111.00914	1.3
111.04527	4.3
113.02489	1.2
117.03473	1.7
119.05026	13.8
125.02420	0.4
135.04468	0.5
137.02461	3.4
145.03006	0.7
149.02412	0.8
155.03496	4.0
161.02486	0.8
163.04007	13.7
163.11263	1.4
173.04544	100.0
174.04909	3.5
175.03986	0.5
177.01997	0.5
191.01997	1.1
191.03804	0.8
191.05614	14.5
267.06805	0.8
282.05295	1.8
283.06189	2.5
295.06104	4.4
296.06882	14.5
297.07501	4.5
307.06177	0.9
309.07501	0.7
311.05634	1.4
323.05606	3.8
324.05905	0.7
325.07147	1.4
328.05881	0.5
329.14102	0.9
335.05447	0.8
337.09305	39.4
338.09665	3.3
339.05304	0.7
343.17593	0.6
351.05292	0.5
353.06671	9.5
354.07156	1.2
365.06628	1.4
366.74081	0.5
383.07724	7.6
387.16589	9.5
388.17032	0.6
395.07419	0.8
413.08826	3.1
425.08850	0.8
437.07788	0.6
443.09598	1.0
455.09824	0.7
473.10995	1.6
515.11963	3.7
545.13257	3.1
563.14258	2.3
605.15350	1.4
725.19330	50.5
726.19617	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	723.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.3
56.89722	0.2
57.03438	0.2
58.00587	0.2
59.01376	3.7
61.98828	0.5
69.03460	0.2
71.01374	3.1
71.50810	0.2
72.99302	0.2
73.02944	0.7
76.44115	0.2
77.86252	0.2
80.02680	1.0
81.03449	1.2
83.01390	0.7
83.04518	0.2
83.05020	4.7
83.83001	0.2
84.02184	0.5
84.17466	0.2
85.02956	0.7
87.00881	0.4
89.02442	2.0
91.03993	0.2
92.14227	0.2
95.01347	0.2
95.05032	0.6
96.17188	0.2
97.02989	0.2
101.02440	2.4
109.06551	0.2
113.02432	1.5
119.03485	0.5
119.55512	0.2
125.02467	0.2
125.06069	0.5
133.05098	0.2
135.08182	0.6
145.05067	0.5
147.11780	0.2
161.04539	1.3
163.11281	3.6
165.12831	2.4
172.93925	0.2
179.05621	0.4
181.12349	0.6
191.10748	0.8
193.31142	0.2
199.13403	0.5
205.02925	0.2
209.11819	100.0
210.12152	6.5
211.13388	0.3
215.34781	0.2
227.12869	12.6
228.13214	0.7
233.22713	0.2
235.08240	3.3
253.09261	9.0
254.09569	0.4
259.20502	0.3
275.20114	0.3
277.21701	78.4
278.22043	8.1
336.33612	0.2
445.20859	1.2
463.21866	0.3
513.30847	0.3
599.21344	0.2
723.42853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75212	1.7
54.80917	1.9
57.03445	21.3
59.01381	33.8
61.98822	3.4
65.59908	1.7
67.01867	2.4
69.03453	3.4
71.01385	25.1
71.53676	2.3
72.99317	3.5
73.02944	5.3
81.03461	8.2
83.01399	12.1
85.02955	32.1
87.00888	7.7
89.02444	13.7
93.03467	14.4
95.01390	3.9
95.05089	2.3
97.02954	4.0
99.00890	2.1
99.04528	2.1
101.02421	12.6
107.01402	2.7
111.00841	2.2
111.04510	3.3
113.02470	10.6
119.03478	2.2
119.05017	5.0
123.04506	18.2
125.02448	94.4
126.02799	4.4
127.11298	2.7
129.01926	8.0
130.51402	2.0
135.04517	6.6
137.02399	10.5
143.03616	2.0
149.02412	4.6
151.00357	6.9
161.04530	3.4
163.04008	5.0
164.01341	2.1
165.01886	3.6
167.02147	3.4
167.03503	39.7
168.03937	2.2
169.01381	2.4
171.10254	20.1
172.10617	2.0
173.04533	15.8
179.03534	10.5
179.05650	2.8
189.05615	2.9
191.01981	7.1
191.03714	2.8
191.05516	12.2
201.05627	2.5
209.08186	7.6
211.13408	8.1
213.05489	3.7
215.07094	6.7
217.05011	3.6
221.11751	2.6
225.05548	6.0
227.03552	3.3
227.07050	2.8
229.05006	7.0
229.14540	8.8
241.05078	5.9
243.06584	13.4
245.04532	2.0
253.05048	4.2
265.05023	2.6
269.04590	2.7
271.06107	6.2
327.21750	86.5
328.22144	5.7
333.07669	3.7
347.08932	2.1
353.08502	10.0
395.07761	2.5
397.13580	3.1
399.16528	2.4
409.08902	2.1
415.14548	23.9
416.14993	2.1
419.07831	2.1
425.08804	7.2
437.08533	5.2
503.32547	2.8
519.12750	3.4
521.33496	3.7
533.14661	4.6
533.29242	4.4
535.31268	16.2
545.11200	4.7
551.15546	5.0
563.11914	100.0
564.12244	17.7
586.94055	2.5
587.12915	3.4
665.37543	29.2
666.38281	2.8
683.38770	15.8
725.16901	16.3
725.37207	17.8
726.17767	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	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11273	0.1
55.01877	0.4
57.03444	0.2
58.00602	0.3
59.01378	3.7
70.74041	0.2
71.01377	3.3
72.99301	0.2
73.02949	0.9
80.02673	0.9
81.03460	0.9
81.39915	0.1
83.01397	0.5
83.04514	0.2
83.05024	3.3
84.02168	0.6
84.05375	0.1
85.02950	0.9
87.00876	0.9
89.02443	1.8
91.03963	0.1
93.03413	0.1
95.01392	0.3
95.04999	0.5
97.02961	0.2
97.06573	0.2
99.00876	0.2
101.02438	3.0
101.03109	0.2
109.06593	0.1
111.08167	0.1
113.02452	1.4
115.04035	0.2
119.03489	0.5
125.02471	0.2
125.06106	0.3
125.09690	0.1
127.07647	0.1
133.05075	0.2
135.08186	0.3
143.03522	0.3
145.05034	0.5
161.04533	1.0
163.11276	2.3
164.11594	0.1
165.12828	1.5
179.05606	0.3
181.12341	0.5
191.10796	0.7
199.13371	0.2
209.11813	73.2
210.12160	4.9
211.13403	0.2
227.12871	8.9
228.13245	0.8
233.22707	0.2
235.08200	5.8
236.08511	0.2
253.09273	8.7
254.09650	0.4
259.20627	0.4
275.20084	0.4
277.21701	100.0
278.22055	9.9
304.77484	0.1
445.20673	0.5
513.30609	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.2
59.01375	2.8
62.35946	0.1
62.87934	0.1
70.52498	0.3
70.52829	0.2
71.01382	2.3
73.02942	0.4
80.02682	1.0
81.03448	0.9
83.01385	0.4
83.05026	4.2
84.02162	0.6
85.02954	0.6
87.00877	0.4
87.60271	0.1
89.02448	1.7
95.01374	0.1
95.05030	0.6
101.02448	1.7
109.06606	0.3
113.02441	1.2
119.03510	0.5
125.06067	0.5
127.07699	0.2
135.08173	0.6
143.03497	0.3
147.11894	0.2
161.04517	0.9
163.11285	3.2
163.12572	0.3
164.11658	0.2
165.12856	1.9
166.13214	0.2
179.05615	0.5
181.12350	0.6
191.10741	0.8
199.13382	0.4
209.11815	100.0
210.12160	6.7
211.13412	0.2
227.12871	11.5
228.13219	0.8
235.08250	1.3
253.09276	7.3
254.09622	0.4
259.20615	0.3
277.21704	49.7
278.18948	0.3
278.22055	5.1
293.21265	0.2
321.06140	0.1
386.51874	0.2
390.33875	0.1
393.55606	0.1
409.99179	0.2
445.20758	1.3
463.21841	0.3
656.45685	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	723.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10779	0.2
58.00595	0.6
58.78594	0.3
59.01379	4.8
61.98829	0.7
69.03452	0.6
71.01381	4.7
71.03380	0.3
71.41054	0.3
72.99316	0.3
73.02935	0.8
75.42832	0.3
81.03442	0.3
83.01373	0.8
83.05008	1.9
85.02931	1.4
86.32761	0.3
87.00874	1.1
89.02447	4.7
95.01399	0.3
95.05027	0.4
97.02946	0.4
101.02435	4.6
104.57522	0.3
109.06585	0.5
109.95647	0.3
111.08157	0.3
113.02439	2.3
119.03501	0.7
141.01906	0.3
143.03485	0.5
145.05026	0.3
155.14452	0.3
161.04520	1.8
163.11247	1.2
165.12885	1.4
167.10863	0.3
167.14352	0.4
169.12378	0.4
179.05556	1.3
179.14455	0.5
181.12328	0.7
183.13885	6.1
183.15408	0.5
184.14291	0.5
191.10728	0.4
193.12320	1.3
195.13895	4.4
199.13391	7.8
200.13725	0.8
209.11819	34.1
210.12155	1.8
211.13383	100.0
212.11662	0.4
212.13730	6.3
223.13403	2.9
224.13696	0.3
225.11171	0.4
227.12889	28.3
228.13293	2.1
229.14386	0.6
235.08200	4.6
236.08554	0.3
245.14000	0.7
253.09270	16.9
254.09523	1.3
256.13123	0.6
265.21851	0.3
275.20129	4.8
276.20438	0.6
277.21710	38.4
278.22049	3.8
293.21222	58.6
294.21539	5.9
443.35318	0.3
445.20880	1.8
447.22324	5.6
448.22501	0.8
463.15237	0.3
463.21844	6.1
464.22217	0.9
469.33136	1.4
487.34082	1.0
511.29211	0.3
529.30151	0.8
686.34857	0.4
705.41705	0.4
723.43024	3.1
724.43701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4323
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
55.01866	0.5
59.01381	7.8
61.98823	1.2
70.74759	0.5
70.75092	0.6
71.01384	5.7
73.02949	1.6
83.01420	0.7
83.05025	0.6
85.02950	1.8
86.82201	0.4
87.00888	1.2
89.02453	3.2
95.01372	0.5
95.05041	0.5
97.06576	1.2
99.00872	0.7
100.98306	0.4
101.02438	5.6
111.08154	1.1
113.02446	3.1
119.03474	0.6
122.60828	0.4
133.05070	0.4
145.05052	0.6
161.04536	1.8
165.12845	9.6
166.13148	0.6
177.22881	0.4
183.13895	71.5
184.14226	4.7
209.11816	6.6
227.12859	6.1
235.08157	2.6
253.09283	6.8
259.20633	0.6
269.75601	0.4
277.21704	100.0
278.18997	0.6
278.22058	8.7
341.37741	0.4
445.20853	3.0
463.22003	3.2
705.42108	0.6
723.43213	97.1
724.43579	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	52.8
71.51614	4.9
78.95908	38.2
83.05028	8.5
84.33887	3.0
152.99574	52.0
163.11237	8.4
171.00662	5.1
194.67822	3.3
197.36726	2.8
202.19240	3.0
209.11809	100.0
210.12186	8.0
227.03311	5.8
227.12927	9.5
253.21660	17.3
306.00397	2.9
437.15463	4.2
455.16843	12.5
469.26123	3.8
487.19443	68.7
488.19879	9.7
691.37946	4.8
692.38202	3.3
723.40881	72.8
724.40930	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32138	0.3
57.03436	1.0
59.01376	2.3
61.98832	3.9
69.45806	1.9
71.01373	2.3
73.02945	0.5
75.00885	0.3
80.02673	1.0
81.03470	1.0
81.17313	0.3
83.01389	0.5
83.05013	3.9
84.02175	0.8
85.02949	0.9
87.00837	0.5
89.02434	1.4
95.05037	0.6
101.02442	1.7
109.02886	0.3
113.02459	1.1
119.03516	0.4
125.02455	4.1
125.06068	0.5
125.09679	0.3
127.11289	1.1
129.01892	0.4
135.08185	0.6
137.02415	0.7
147.05362	0.2
161.02446	1.2
161.04558	0.8
163.11293	3.0
165.12865	2.5
167.03494	0.3
171.10249	1.6
173.04610	0.4
181.12363	0.4
191.05663	0.3
191.10797	0.5
199.09784	0.7
201.11320	22.0
202.11618	1.1
207.62680	0.3
209.11819	100.0
210.12160	6.9
227.12883	13.7
228.13200	1.1
235.08176	3.2
247.13451	0.4
253.09291	7.3
260.57819	0.3
267.65115	0.3
287.05591	0.4
373.25934	7.3
374.12631	0.3
375.21582	0.4
393.22852	0.5
419.19107	0.5
437.20386	1.5
445.20770	5.2
446.21085	0.7
463.21927	0.6
611.31049	0.6
629.31726	0.5
637.32068	0.8
655.32715	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	722.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
59.01371	1.7
59.51504	0.2
61.84627	0.3
61.98831	100.0
63.64264	0.3
69.03454	0.7
69.67445	1.5
71.01387	1.4
81.03468	0.3
83.01382	0.6
84.02451	0.3
85.02956	0.6
87.00883	0.5
89.02459	1.1
93.03505	0.4
95.01405	0.5
97.02958	0.8
101.02464	1.0
108.02216	0.4
109.02948	1.4
111.04490	0.3
113.02454	0.7
121.02996	0.3
123.00900	0.6
124.01679	0.8
125.02455	4.2
137.02444	3.8
138.03235	3.0
139.04002	1.4
151.04062	0.3
161.02519	0.5
164.01216	1.0
165.01944	4.4
167.03465	1.5
170.02209	0.6
173.04547	0.3
175.03928	0.3
177.01938	0.8
177.05553	0.9
178.02654	0.3
179.03499	0.8
191.05548	0.3
201.09644	0.3
203.03543	0.7
204.04285	0.4
204.63756	0.3
219.06618	1.4
220.65186	0.3
221.04561	1.9
247.02534	0.4
285.04510	0.3
310.76028	0.3
325.20532	0.3
337.08804	0.3
339.16083	0.5
435.21677	0.3
479.22815	0.9
491.22806	1.1
519.22083	0.5
533.23883	0.5
615.27509	0.4
659.27069	39.5
660.27441	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	721.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34856	1.0
57.03437	2.6
57.40001	1.1
59.01374	9.5
60.79974	1.0
61.98830	19.5
67.83081	0.9
69.03453	1.9
69.33175	8.0
71.01371	10.0
71.05009	2.6
73.02938	2.8
78.98574	1.5
79.95734	2.4
80.02666	1.3
80.96522	8.6
81.03439	2.0
83.04553	1.0
83.05007	6.1
84.02148	1.9
85.02953	4.9
87.00872	3.7
89.02432	5.3
93.03461	8.1
94.08317	0.9
94.87366	1.0
94.98105	2.1
96.95966	1.2
97.02945	4.5
97.06570	2.2
99.00272	1.4
99.00880	14.9
101.02435	7.0
109.06596	1.7
110.03732	1.1
111.00856	1.4
111.04479	1.9
111.14445	1.0
113.02467	3.8
116.92773	1.1
119.03493	1.2
119.05011	3.9
123.04469	1.3
123.08203	1.4
125.02431	6.6
125.09737	8.0
134.97496	1.2
135.08136	1.5
137.02432	3.3
142.02722	1.9
147.19235	1.2
152.91356	0.9
155.03490	1.6
161.04572	2.4
163.04005	4.9
163.11273	12.7
164.11703	1.3
164.98607	1.7
165.12825	3.4
166.02657	1.0
167.03497	1.9
169.12328	1.3
171.10298	5.0
173.04547	7.9
181.12325	19.0
183.13751	1.7
191.05644	8.3
191.10693	1.6
197.05995	1.2
197.11848	5.4
198.12170	1.6
199.13393	22.6
207.08368	2.0
207.10260	32.1
208.10573	1.9
209.11823	83.5
210.12186	7.3
211.13049	1.1
225.00705	3.0
225.11310	56.1
226.11610	3.6
227.12886	10.7
235.08163	1.6
243.12379	15.0
253.09296	3.9
282.71191	1.2
292.76443	0.9
295.40579	1.1
299.05603	1.1
337.09094	2.0
407.19244	1.1
435.65408	1.1
443.19003	1.2
461.20187	5.5
479.21323	2.4
557.21783	1.9
575.23065	1.7
653.31781	2.4
653.45074	1.0
671.32904	3.6
675.58429	1.2
689.33838	100.0
690.34241	19.3
721.37451	52.7
722.37714	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	721.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34856	1.0
57.03437	2.6
57.40001	1.1
59.01374	9.5
60.79974	1.0
61.98830	19.5
67.83081	0.9
69.03453	1.9
69.33175	8.0
71.01371	10.0
71.05009	2.6
73.02938	2.8
78.98574	1.5
79.95734	2.4
80.02666	1.3
80.96522	8.6
81.03439	2.0
83.04553	1.0
83.05007	6.1
84.02148	1.9
85.02953	4.9
87.00872	3.7
89.02432	5.3
93.03461	8.1
94.08317	0.9
94.87366	1.0
94.98105	2.1
96.95966	1.2
97.02945	4.5
97.06570	2.2
99.00272	1.4
99.00880	14.9
101.02435	7.0
109.06596	1.7
110.03732	1.1
111.00856	1.4
111.04479	1.9
111.14445	1.0
113.02467	3.8
116.92773	1.1
119.03493	1.2
119.05011	3.9
123.04469	1.3
123.08203	1.4
125.02431	6.6
125.09737	8.0
134.97496	1.2
135.08136	1.5
137.02432	3.3
142.02722	1.9
147.19235	1.2
152.91356	0.9
155.03490	1.6
161.04572	2.4
163.04005	4.9
163.11273	12.7
164.11703	1.3
164.98607	1.7
165.12825	3.4
166.02657	1.0
167.03497	1.9
169.12328	1.3
171.10298	5.0
173.04547	7.9
181.12325	19.0
183.13751	1.7
191.05644	8.3
191.10693	1.6
197.05995	1.2
197.11848	5.4
198.12170	1.6
199.13393	22.6
207.08368	2.0
207.10260	32.1
208.10573	1.9
209.11823	83.5
210.12186	7.3
211.13049	1.1
225.00705	3.0
225.11310	56.1
226.11610	3.6
227.12886	10.7
235.08163	1.6
243.12379	15.0
253.09296	3.9
282.71191	1.2
292.76443	0.9
295.40579	1.1
299.05603	1.1
337.09094	2.0
407.19244	1.1
435.65408	1.1
443.19003	1.2
461.20187	5.5
479.21323	2.4
557.21783	1.9
575.23065	1.7
653.31781	2.4
653.45074	1.0
671.32904	3.6
675.58429	1.2
689.33838	100.0
690.34241	19.3
721.37451	52.7
722.37714	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	721.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41609	0.6
58.84119	0.6
59.01374	2.6
60.38959	0.5
61.98829	45.4
63.96237	1.7
71.01376	8.0
71.16104	1.2
72.99322	0.6
73.02953	1.7
73.06871	0.5
78.95935	1.3
78.98594	6.0
79.95735	13.8
80.96516	77.1
81.03462	0.9
81.96442	0.7
83.01408	0.6
83.05058	0.9
85.02950	3.5
87.00867	2.6
88.98771	0.8
94.98087	15.5
95.01405	0.7
96.96023	2.0
97.02943	2.2
99.00864	1.1
101.02444	2.4
106.98072	3.2
122.97546	3.3
125.02472	3.9
127.04044	1.4
134.97586	4.9
136.99110	1.3
143.03502	0.6
143.33733	0.5
148.99144	7.3
152.98616	7.0
152.99741	0.8
161.02419	0.7
164.98633	14.2
171.10278	0.7
192.00049	0.5
206.99652	4.2
209.11827	7.8
210.12044	0.5
211.13348	4.8
225.00740	24.7
227.12823	0.7
281.37454	0.6
346.75720	0.5
493.17352	2.2
509.16879	3.3
613.51453	0.6
703.34113	0.6
721.31073	100.0
722.31403	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	721.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96753	0.6
57.03447	0.8
57.25220	0.7
59.01366	1.6
60.94757	0.6
61.98833	76.7
63.96225	2.9
69.03429	1.1
69.41032	4.7
69.67201	0.5
71.01379	9.8
73.02943	1.5
78.95901	3.3
78.98592	7.7
79.95738	12.9
80.96520	73.5
81.03455	0.8
83.05029	0.9
83.05463	0.8
85.02938	2.7
87.00880	3.6
94.98087	18.4
95.01410	0.9
95.48429	0.6
96.95988	2.3
97.02935	2.1
99.00893	1.2
99.04527	0.8
101.02448	3.4
103.24683	0.8
106.98098	3.6
113.02412	0.8
116.92811	0.8
122.97596	4.2
125.02430	3.3
127.04037	0.7
134.97607	5.3
136.99132	2.2
148.99149	7.0
152.98572	6.4
152.99403	0.8
155.43428	0.7
163.11368	0.7
164.98622	12.4
197.11743	1.1
206.99663	3.3
209.11827	10.2
210.12141	1.3
211.13400	6.9
225.00751	22.8
226.01038	0.9
227.13002	0.8
276.92847	0.8
419.95877	0.7
493.17725	2.2
509.16797	2.2
553.98651	0.7
681.13110	0.9
689.34387	1.0
721.31079	100.0
722.31458	22.0
730.73041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.0
62.37445	0.4
67.01895	1.3
69.03461	0.6
70.89800	0.6
71.01388	2.0
83.05045	1.0
85.02951	3.0
87.00882	0.7
89.03960	0.9
93.03458	11.6
109.02927	1.4
111.00896	0.6
111.04524	4.8
117.03464	6.3
123.04533	1.2
125.02456	1.0
127.04013	0.9
133.02986	0.7
134.03740	77.8
135.04549	26.9
136.04820	1.4
137.02440	3.1
146.88107	0.4
149.02443	0.6
149.06081	6.2
155.03516	5.1
161.02432	1.5
173.04541	44.6
174.04834	1.9
178.02644	0.7
179.03491	24.5
180.03882	1.1
191.05620	23.0
192.05861	0.7
193.05045	100.0
194.05371	5.5
205.05008	0.5
245.08078	0.6
289.07230	3.4
353.08762	32.3
354.09103	3.1
367.10306	63.7
368.10706	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	720.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98533	0.2
69.34383	0.1
70.83944	0.1
70.84264	0.2
86.25887	0.1
87.50093	0.1
108.24497	0.1
111.72582	0.1
131.70787	0.1
211.13463	0.3
212.13730	0.1
223.00197	0.1
432.44843	0.1
615.37744	0.1
619.80560	0.1
754.04828	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	720.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85110	0.2
59.01383	0.8
61.98831	100.0
62.82160	0.2
62.98530	0.2
63.99258	0.5
66.27469	0.1
67.09839	0.1
70.18909	0.2
71.01391	1.1
73.93798	0.2
80.02668	0.3
80.96539	0.6
81.03469	0.3
83.01411	0.5
83.05042	0.6
84.02179	0.3
89.02483	0.2
93.03436	0.2
94.98040	0.2
95.05016	0.2
97.06602	0.2
98.20690	0.3
101.02477	0.4
113.02413	0.3
125.02496	0.4
125.09769	0.3
161.04565	0.3
163.11331	0.5
164.11630	0.3
165.12846	0.3
166.13208	0.2
171.10342	0.4
191.10919	0.3
207.10385	0.3
209.11838	13.0
210.12177	6.0
211.12294	0.2
225.00867	0.3
225.11395	0.4
227.12895	1.5
228.11072	0.2
228.13217	0.9
229.06703	0.2
235.08250	0.4
241.14380	0.2
253.09273	1.6
254.09767	0.6
273.17078	9.2
274.17416	5.6
275.17545	0.2
445.20874	0.2
465.28818	0.2
466.29025	0.2
510.26581	0.3
689.34216	0.2
702.17828	0.2
720.35376	0.2
721.33191	0.6
721.76050	0.2
737.45642	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.2
61.98828	100.0
70.03690	0.2
70.04032	0.6
71.01397	0.2
75.00857	0.3
78.30640	0.2
80.96527	0.2
87.00889	0.2
93.03468	0.4
96.96024	0.2
98.19989	0.2
101.02466	0.2
108.35385	0.1
116.92850	0.3
119.05025	0.4
125.02406	0.2
129.17220	0.2
137.02443	0.3
141.55273	0.2
163.04004	0.4
166.12720	0.2
166.14069	0.1
171.10292	0.6
173.04588	0.3
183.13983	0.2
197.11868	0.3
198.86694	0.1
209.11818	1.8
210.12189	0.4
211.13445	0.3
212.13786	0.2
227.12932	0.5
237.14946	0.3
238.39758	0.2
253.09093	0.2
582.50171	0.2
720.31995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98534	0.2
74.65141	0.1
82.99735	0.1
91.58263	0.1
109.09343	0.1
109.49110	0.1
181.76175	0.1
209.11938	0.3
210.12030	0.1
211.13338	0.4
212.13702	0.1
259.71069	0.1
323.56699	0.1
485.54572	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	719.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
57.03440	0.3
59.01104	0.3
59.01380	3.0
60.93130	0.1
61.98831	21.7
71.01379	2.8
71.05017	0.2
72.99322	0.2
73.02950	0.5
75.00881	0.1
77.53564	0.2
80.02678	1.0
81.03454	1.5
83.01382	2.2
83.05026	3.9
84.02164	1.5
85.02970	0.8
87.00883	0.5
88.93052	0.2
89.02441	1.9
93.03483	0.4
95.01402	0.2
95.05004	0.7
97.02957	0.4
97.06587	0.4
99.00884	0.3
99.04565	0.2
101.02460	2.6
109.06595	0.4
111.08172	0.3
113.02466	1.5
119.03511	0.6
125.02455	0.5
125.06086	0.4
125.09716	2.5
127.11255	0.4
135.08167	0.8
143.03537	0.3
145.05042	0.3
147.11798	0.6
153.09218	0.2
161.04558	1.1
163.04048	0.2
163.11296	3.9
164.11568	0.2
165.12834	2.5
166.13257	0.2
171.10287	2.1
179.05598	0.5
181.12325	0.7
182.13042	0.3
183.14081	0.2
191.10803	2.9
192.10992	0.1
197.11899	0.2
197.15456	0.2
199.13374	0.4
207.10280	0.3
209.11824	100.0
210.12167	6.6
211.13371	0.6
212.13680	0.2
223.13344	0.8
226.12117	0.8
227.12883	11.0
228.13065	0.7
229.06946	0.2
235.08205	3.0
241.14403	1.2
243.16037	0.7
244.09657	0.2
251.41327	0.1
253.09283	11.9
254.09622	0.6
261.91519	0.2
273.17068	80.6
274.17435	6.6
274.20462	0.2
342.57785	0.2
357.96982	0.2
445.20770	1.5
446.20972	0.2
465.28589	1.8
466.29126	0.3
483.29459	0.4
508.62103	0.2
509.26138	1.4
510.26797	0.2
698.32684	0.2
719.37646	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48791	0.1
59.01390	0.3
60.33284	0.1
61.98829	100.0
77.82533	0.1
80.96527	0.2
83.01411	0.3
83.05026	0.2
100.78523	0.1
101.02504	0.2
110.85109	0.1
116.92881	0.4
119.05023	0.2
125.02473	0.2
125.09748	0.2
139.88895	0.2
159.04698	0.1
163.04021	0.3
163.11273	0.2
165.12808	0.2
171.10335	0.3
209.11835	5.6
210.12224	0.5
211.13356	0.9
212.13789	0.4
217.74216	0.2
227.12883	0.7
253.09328	0.7
273.17056	4.2
298.82489	0.2
322.64423	0.1
637.33167	0.2
719.30188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
59.01383	12.0
61.98831	67.6
69.03445	1.2
70.00739	4.5
71.01385	9.0
73.02969	2.7
79.95731	2.0
80.96524	8.6
81.03457	2.5
83.01392	2.2
83.05019	8.9
84.02178	2.7
85.02947	3.0
87.00887	2.1
89.02447	5.8
93.03474	2.0
94.98077	2.0
95.01360	0.9
95.05045	1.1
97.03004	1.3
97.06608	1.7
101.02437	6.9
108.30902	0.9
109.64778	0.9
113.02463	4.2
115.11362	0.9
119.03535	2.3
119.05070	2.9
125.02486	3.1
125.09714	1.5
135.08150	1.6
137.02411	1.8
145.04877	0.9
148.99171	1.0
149.04588	1.4
151.11305	1.5
153.12915	1.3
161.04579	2.0
163.04033	1.8
163.11273	7.6
165.12886	5.4
167.03545	0.9
169.12344	41.9
170.12700	3.1
171.10306	1.4
173.04588	3.6
175.02579	1.0
179.10864	1.6
181.12323	1.1
185.12032	1.1
191.05635	2.5
191.10750	1.3
197.11835	71.8
198.12199	4.2
209.11821	100.0
210.12167	9.2
211.13535	2.3
212.13654	1.0
225.00775	2.5
227.12871	7.6
228.13359	1.2
235.08275	1.4
253.09274	5.7
399.32800	1.0
441.67227	1.0
587.21417	1.6
600.42224	1.1
687.32306	77.2
688.32709	19.1
719.35260	83.9
720.35651	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	718.329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
60.57843	0.1
61.98830	100.0
62.98528	0.2
63.20812	0.1
75.00864	0.1
75.26408	0.1
79.08062	0.1
81.96558	0.1
86.37949	0.1
101.23964	0.1
126.18855	0.1
150.70898	0.1
162.29337	0.1
197.11823	0.2
209.11813	0.9
210.10431	0.1
210.12180	0.5
211.13591	0.5
212.13850	0.1
291.19827	0.1
410.81384	0.1
654.59155	0.1
718.40320	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	718.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
61.98829	100.0
62.98523	0.2
69.40955	0.1
69.41357	0.4
71.73752	0.1
78.95933	0.1
88.45073	0.1
91.72916	0.1
98.20671	0.1
100.22708	0.1
134.41051	0.1
167.07416	0.1
183.72679	0.1
197.11809	1.3
209.11818	1.0
210.12219	0.4
211.13448	1.6
212.13844	0.1
220.36011	0.1
235.08351	0.1
253.09346	0.1
433.21014	0.2
447.22327	0.2
454.31659	0.1
526.65723	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	718.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92953	0.2
55.94879	0.2
59.01379	0.4
61.98831	100.0
71.01398	0.3
71.53547	0.3
72.13549	0.2
78.52007	0.2
80.96487	0.2
83.05086	0.2
101.02468	0.2
116.92863	0.3
125.02478	0.5
147.24977	0.2
149.54707	0.2
165.12854	0.2
171.10275	1.4
197.11691	0.2
209.11824	2.9
210.12190	0.9
211.13394	2.4
212.13719	0.9
227.12973	0.7
228.13084	0.2
235.08293	0.3
253.09369	0.6
273.17160	1.1
327.22052	0.6
328.22113	0.5
370.90369	0.2
413.44220	0.2
623.90778	0.2
719.31122	0.3
736.92816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
57.40453	0.2
59.01377	1.7
60.99296	0.4
67.01889	4.6
69.03451	0.5
71.01385	3.0
72.99300	0.3
80.79298	0.2
81.03451	0.8
83.05016	0.6
85.02961	1.1
87.00880	0.6
89.02485	0.3
93.03458	22.2
94.03790	0.6
95.01352	0.3
99.04537	0.3
109.02948	0.9
110.32834	0.2
111.00887	1.0
111.04522	4.1
113.02425	0.4
119.05029	11.1
120.05325	0.5
125.02438	0.4
127.04014	0.5
137.02428	3.9
140.92773	0.2
155.03500	3.7
163.04010	16.8
164.04314	0.5
168.77310	0.2
173.04541	100.0
174.04889	4.0
191.01981	0.6
191.05632	1.2
217.10661	0.3
226.24651	0.2
265.09256	0.8
267.67184	0.2
337.09268	35.3
338.09631	3.6
349.04123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.98829	100.0
68.61442	0.2
68.97297	0.2
69.65574	0.9
69.65977	0.3
70.01723	0.2
75.00873	0.6
75.49126	0.2
120.68539	0.2
133.53253	0.2
156.89346	0.2
209.11833	0.4
211.13400	0.7
212.13745	0.3
223.13426	0.2
224.13834	0.2
343.80673	0.2
480.93243	0.2
481.89981	0.2
576.01294	0.2
664.26086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04458	0.1
59.01352	0.1
61.98829	100.0
62.98548	0.2
63.31355	0.1
66.91473	0.1
71.01402	0.1
78.05683	0.1
78.06277	0.1
89.02432	0.1
187.94833	0.1
255.23294	0.1
256.23694	0.1
341.65192	0.1
397.13406	0.1
398.14001	0.2
399.14108	0.2
400.14706	0.1
417.15152	0.1
511.06146	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	716.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28623	0.1
58.68446	0.1
59.01372	0.9
61.98831	100.0
62.98532	0.2
66.83022	0.1
71.01394	0.4
71.50665	0.1
73.01811	0.1
87.00878	0.1
89.02464	0.2
101.02427	0.2
110.05472	0.1
113.02466	0.2
117.92686	0.1
119.03496	0.1
125.02436	0.2
143.03510	0.1
172.91217	0.1
194.62282	0.1
218.15671	0.1
227.65613	0.1
235.08215	0.1
237.09081	0.1
255.23306	0.6
256.23663	0.6
257.23938	0.2
258.24106	0.1
267.03003	0.1
397.13602	0.4
398.13919	0.5
399.14020	0.7
400.14365	0.5
416.15121	0.2
417.15094	0.2
418.15054	0.1
480.12219	0.1
551.05652	0.1
604.08704	0.1
717.24365	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	31.8
65.00344	0.8
66.40273	0.6
69.46870	4.1
72.99305	4.0
79.56123	0.6
86.24187	0.7
87.00838	0.6
87.40971	0.7
94.42401	0.6
103.05531	1.6
107.01385	1.7
108.02166	0.7
119.05025	4.5
119.84605	0.7
121.02946	1.3
125.02400	0.9
147.04530	89.2
148.01651	0.7
148.04857	4.8
151.00366	6.9
157.50952	0.6
163.00386	1.9
165.05576	71.6
166.05931	3.6
178.99879	2.3
207.06624	55.0
208.06958	3.2
216.04419	1.0
226.02713	1.4
227.03558	1.2
229.12123	0.8
243.02853	4.1
244.03490	0.6
245.04517	0.7
254.02214	1.6
255.02948	13.8
256.03406	1.1
271.02460	31.5
272.02982	2.9
273.03867	0.6
286.04590	1.0
297.25275	0.6
297.87979	0.7
299.02014	0.8
300.02747	74.5
301.03436	33.1
302.03793	2.3
321.09662	1.9
444.20483	0.6
463.08807	100.0
464.09122	13.0
471.66718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
61.98824	1.3
67.56523	0.2
71.01372	1.3
80.02669	0.6
81.03461	0.5
83.05024	1.9
84.02157	0.3
87.00864	0.3
89.02428	1.0
95.05024	0.3
98.19936	0.5
101.02428	1.3
102.10650	0.2
109.06571	0.2
113.02471	0.6
125.06071	0.2
125.09737	0.5
135.08171	0.4
143.03566	0.3
161.04567	0.4
163.11313	1.8
165.12898	1.3
179.05551	0.4
181.12328	0.3
187.09760	0.2
191.10741	0.6
194.06981	0.2
194.66763	0.2
194.68684	0.2
209.11823	100.0
210.12151	7.0
211.13300	0.3
227.12880	6.7
228.13210	0.3
235.08209	1.1
253.09247	4.1
398.35852	0.2
445.20828	2.7
446.21350	0.4
480.61227	0.2
513.14832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.4
59.90611	0.3
69.34245	2.5
81.87861	0.3
95.89394	0.3
113.02474	0.5
125.02440	0.6
175.02504	0.7
206.46507	0.3
225.16077	0.7
301.03516	0.5
366.53564	0.3
495.21582	0.4
522.31305	0.4
539.33545	0.5
677.49933	2.4
678.50104	0.5
713.47339	100.0
714.47644	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.4
61.98831	100.0
64.45552	3.9
68.92795	3.6
70.39157	4.4
71.01382	10.5
72.33025	3.9
89.02429	10.2
99.92557	5.9
101.02449	8.4
110.72473	4.7
113.02422	4.5
116.92854	41.1
117.92852	6.0
119.03476	5.6
125.02391	10.6
125.36758	3.9
137.02437	7.5
140.98601	3.7
143.86197	3.7
152.72685	3.9
179.05452	6.8
209.11919	4.0
235.08221	6.1
279.23187	30.5
305.08755	4.9
397.13464	85.7
398.13513	7.9
415.14798	22.3
501.79901	5.2
624.57727	5.0
677.37170	7.4
713.34949	61.4
714.35608	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	713.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01123	0.3
59.01379	4.6
59.63008	0.3
60.31470	0.4
63.02404	0.6
65.00320	0.6
70.90431	0.4
70.90774	0.6
71.01385	2.2
72.99293	0.7
75.00871	0.7
82.25942	0.3
83.01372	0.5
85.02956	3.1
85.65018	0.3
87.00869	1.4
89.02442	0.6
91.05509	0.3
95.01390	0.6
99.00864	1.1
101.02443	0.4
107.01388	1.5
109.02905	0.8
113.02448	1.8
115.00380	0.5
117.01905	0.3
119.05015	0.6
125.02409	0.4
133.02937	3.9
133.03799	0.5
144.31596	0.3
147.04524	5.5
148.04832	0.4
149.02440	1.2
151.00362	3.0
163.03986	1.1
165.05568	5.6
166.05946	0.4
175.02649	0.5
175.03996	2.3
185.06039	0.4
199.04001	1.5
200.04266	0.4
201.01855	0.4
207.06633	2.2
213.05579	0.5
215.03517	0.3
217.05040	1.1
241.05055	0.6
243.03078	0.7
257.45197	0.4
284.03287	0.5
285.04034	100.0
286.01193	0.5
286.04364	8.7
297.03961	0.5
301.89417	0.3
327.05145	1.3
331.06458	0.3
357.06186	0.9
461.07248	48.0
462.07541	6.6
526.74469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
57.21900	0.6
59.01370	2.5
63.02396	1.1
65.00320	3.2
71.01405	0.9
71.10066	1.3
73.37125	0.7
83.01398	2.2
85.02957	2.9
87.00875	1.1
93.03462	1.2
96.96021	1.5
97.02953	0.8
98.95586	1.8
101.02450	0.9
107.01402	7.0
109.02963	1.4
115.00381	1.4
115.04018	1.0
121.02966	3.6
125.02453	1.2
146.93863	0.6
147.04518	0.8
147.77953	0.8
149.02446	1.0
151.00371	24.9
152.00790	1.9
159.03058	0.8
163.00397	1.9
163.03996	1.0
164.01094	0.8
169.01404	1.1
173.04471	1.0
175.02446	2.6
177.03951	1.4
178.99873	12.8
183.04509	1.7
187.03986	0.8
191.01917	0.9
191.05591	1.4
192.41678	0.7
199.04015	2.1
209.02963	2.1
211.04044	1.2
215.03513	1.3
227.03473	2.9
229.04997	0.7
243.02968	10.5
244.03461	0.9
245.04515	0.9
254.02151	2.1
255.01047	0.6
255.02965	21.9
256.03326	2.4
271.02475	44.8
272.02960	5.0
273.03964	1.1
283.02332	1.4
292.66620	0.9
299.01978	23.3
300.02734	100.0
301.03473	61.2
302.03799	4.9
343.04642	0.9
371.12714	0.9
462.07892	3.7
463.08829	28.2
464.09140	2.0
468.91306	0.8
505.09888	92.8
506.10175	11.6
563.27692	0.7
625.13824	1.0
667.15149	40.8
668.15442	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	711.1419
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
57.34035	0.5
59.01370	1.0
62.23647	0.5
63.11645	0.5
65.00329	0.9
67.01885	0.8
70.71053	1.1
70.71413	1.2
71.01379	0.8
83.01387	0.7
85.02944	1.5
91.50664	0.5
93.03463	4.2
96.95995	0.8
107.01386	1.7
109.02959	1.1
119.05019	2.0
125.02447	0.9
136.60638	0.6
137.02406	1.6
151.00394	5.2
155.03473	0.8
163.03975	2.5
171.04521	0.6
173.03131	1.1
173.04553	16.2
174.04941	0.6
175.00397	1.1
175.03938	0.9
178.99893	1.5
191.01955	0.5
191.05548	1.7
199.03989	2.1
215.03467	1.6
222.31926	0.5
227.03531	3.2
243.02995	4.5
254.02234	0.8
255.02890	1.8
271.02460	52.2
272.02805	4.6
299.01953	100.0
300.02548	17.0
301.03500	23.1
302.03763	1.5
327.08664	1.2
337.09277	4.6
343.04431	1.1
345.82068	0.7
462.01834	1.3
462.08038	18.9
463.08685	8.7
464.09238	0.9
501.14212	2.4
505.09811	11.6
506.10510	1.6
625.14044	2.8
667.15143	83.7
668.15405	15.2
675.18933	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	711.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.7
57.03448	10.8
59.01375	5.8
68.99812	1.0
70.47683	0.5
71.01378	7.6
72.99313	2.0
75.00875	2.7
80.49407	0.6
81.63221	0.6
83.01380	2.0
84.02161	2.4
85.02951	95.7
86.03303	3.1
87.00871	1.2
87.03474	0.5
89.02445	4.2
99.00881	0.6
101.02427	0.7
103.00362	1.7
108.33765	0.5
111.00883	5.7
115.00351	1.3
119.05014	2.4
129.01941	7.7
133.01422	4.3
144.14676	0.5
146.63472	0.6
147.03006	10.2
163.04036	2.9
173.00922	2.8
173.04640	0.6
191.01978	55.1
192.02321	2.5
209.03026	100.0
210.03391	5.2
262.85751	0.6
337.05603	1.0
337.09354	0.7
355.06705	35.3
356.07181	3.7
427.96161	0.6
584.51221	0.6
617.46484	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43009	1.0
50.86889	0.8
54.69103	0.8
57.03454	1.2
59.01381	5.6
61.48831	1.0
71.01369	2.5
71.52806	1.6
81.19553	0.8
83.01392	1.1
85.02950	3.0
87.00853	1.1
89.02434	2.1
93.03423	1.4
96.96018	0.9
97.02927	2.1
101.02446	1.3
107.01373	3.2
108.02177	2.0
111.00848	1.2
113.02441	1.8
115.04025	5.3
119.03532	1.0
119.05015	2.0
121.02949	1.1
125.02436	1.5
135.00826	1.1
135.04512	2.7
137.02383	1.2
141.01939	2.0
151.00371	11.2
158.27788	1.1
159.02980	2.5
161.39171	0.8
163.00360	1.4
163.03979	1.6
169.01421	1.0
173.04507	2.8
175.02396	1.0
177.04068	5.7
178.99858	6.5
183.14209	0.9
191.01949	1.4
191.05609	2.1
199.04066	2.0
201.09836	0.8
209.02997	4.6
209.96394	1.3
215.03366	1.8
226.02740	1.3
227.03523	3.5
229.05119	1.1
243.03004	11.6
254.02193	2.2
255.02983	23.9
256.03271	1.1
271.02469	53.5
272.02902	7.4
299.01947	5.9
300.02734	100.0
301.03384	28.9
302.03793	1.1
318.96570	1.0
321.15512	1.9
371.99969	1.0
463.08856	7.5
465.90283	0.9
505.02716	1.6
505.09854	19.0
506.10141	4.2
625.14301	2.8
667.15149	65.9
668.15344	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	709.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.9
59.01372	5.3
61.98823	1.4
67.47099	0.5
69.03445	0.6
71.01384	4.5
71.44277	0.9
73.02936	0.7
78.95910	3.1
81.03476	0.5
83.05026	1.2
85.02946	1.5
87.00875	1.1
89.02442	2.5
95.05035	1.2
97.06582	5.5
98.06982	0.6
101.02434	3.8
113.02422	1.5
125.02455	0.6
125.09705	0.9
126.44695	0.5
133.10216	0.9
145.05057	0.9
149.09721	0.7
151.11290	17.1
152.11642	0.6
152.99597	5.1
161.04608	1.2
168.00311	0.6
169.12340	44.1
170.12680	2.2
171.00594	0.6
192.16704	0.5
195.10252	3.4
196.10576	0.5
201.11302	5.3
209.11821	5.2
213.11316	5.6
227.12971	0.6
235.08218	2.0
253.09250	2.7
253.21629	1.5
259.20844	0.6
259.95285	0.6
277.21719	46.3
278.22058	4.8
279.23230	1.0
317.06268	0.5
431.19174	2.1
449.20276	2.7
455.16901	1.1
473.17984	4.3
500.28030	0.5
551.39984	0.5
559.98438	0.6
691.38696	1.0
709.41528	100.0
710.41956	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14936	0.4
53.94550	0.5
54.23964	0.4
57.03440	1.5
59.01379	6.0
61.98829	1.7
63.81341	0.4
68.33598	0.5
69.03461	0.4
70.65080	0.7
71.01379	4.8
72.99325	0.6
73.02940	1.3
73.25082	0.4
76.35819	0.4
78.95904	1.4
80.41770	0.4
83.01363	0.7
83.05035	0.8
85.02942	0.9
87.00877	0.7
89.02443	4.8
95.05029	0.5
95.41126	0.4
97.06581	3.3
99.00872	0.5
101.02445	4.5
113.02454	2.2
119.03465	0.9
125.09676	0.5
143.72890	0.4
149.09659	0.7
151.11285	12.8
151.12506	0.8
152.11623	0.7
152.99565	3.3
161.04532	1.2
169.12332	91.6
170.12685	4.8
179.05618	0.5
195.10194	2.6
201.11342	2.2
209.11789	3.0
213.11302	10.5
214.11638	0.5
235.08183	0.7
253.09309	3.2
253.21867	0.5
277.21707	22.0
278.22104	2.3
327.50214	0.4
382.31125	0.5
391.72092	0.4
406.63846	0.4
431.18991	2.4
432.19357	0.4
449.14243	0.4
449.20212	6.7
473.17859	1.9
577.11774	0.4
636.75403	0.5
708.57336	0.4
709.41559	100.0
710.41992	22.5
720.29700	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	23.2
59.01378	19.8
60.99289	3.4
61.02114	0.8
61.98822	3.3
64.09725	0.9
67.01893	10.8
69.03486	5.3
71.01381	18.7
71.53477	1.0
72.99303	3.8
73.02944	3.7
74.90405	0.9
75.00880	1.1
75.68127	0.8
81.03449	2.8
83.01405	3.6
83.05021	3.6
85.02950	8.8
87.00879	14.8
89.02448	8.8
93.03458	76.2
94.03775	2.8
96.95981	1.0
97.06589	1.0
99.00893	3.9
101.02431	8.2
103.00359	1.8
111.00876	17.0
111.04526	12.6
113.02457	5.9
119.03497	2.8
119.05013	3.9
122.74166	0.9
125.02460	4.3
125.09753	1.6
129.01941	12.5
130.31290	0.8
131.03423	1.0
135.04541	0.9
137.02422	5.0
143.03514	1.1
154.99831	0.8
155.03520	4.8
161.04535	2.3
163.03972	6.6
163.11308	1.3
165.12869	1.4
167.03497	1.9
171.10242	2.0
173.01018	1.7
173.04530	25.0
174.04866	1.2
182.75078	0.9
185.11844	1.8
187.50839	0.8
191.01898	1.3
191.05661	8.4
192.90579	1.0
201.11301	25.2
202.11841	1.6
209.11818	45.4
210.12213	2.6
227.12880	7.5
228.13316	1.1
235.08197	1.5
253.09273	5.4
283.01553	0.9
285.20782	6.1
325.23969	1.2
337.23740	1.3
355.24918	6.7
373.25983	12.3
374.26230	1.0
387.27399	1.2
437.20126	1.9
445.20758	3.1
517.30035	6.7
533.29626	5.1
535.31189	81.4
536.31531	12.5
563.18396	1.5
616.31873	0.9
621.31238	39.7
622.31519	7.2
654.69171	1.0
691.31830	1.6
709.36438	100.0
710.36957	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	709.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02998	0.2
57.03428	0.2
59.01373	0.7
63.96241	1.6
69.03454	0.6
70.18900	0.8
71.01382	7.9
72.99312	0.4
73.02964	1.9
78.98592	6.0
79.95374	0.2
79.95739	12.5
80.96519	74.9
81.03455	0.8
81.96489	0.4
82.70065	0.2
83.01385	0.4
85.02957	3.0
87.00878	2.9
94.98089	17.2
96.96001	1.2
97.02953	1.5
99.00895	0.6
99.04538	0.3
101.02431	2.3
106.98096	3.3
113.02436	0.3
122.97594	3.6
125.02449	2.8
127.04016	0.5
134.97583	5.5
136.99106	1.3
145.83183	0.2
146.97589	0.2
148.97997	0.5
148.99146	6.0
152.98648	6.1
153.98933	0.2
164.98630	11.5
167.00159	0.6
171.10254	2.0
179.00267	0.3
182.99643	0.3
205.69096	0.3
206.99684	2.5
225.00740	19.3
226.01099	0.7
255.23294	1.3
269.91571	0.3
279.23355	0.6
283.04944	0.4
453.14413	3.3
537.27289	1.4
709.38373	100.0
710.38708	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	709.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14252	0.7
51.24076	0.5
51.53566	0.5
55.01847	0.7
57.03451	9.8
58.00592	0.7
59.01381	8.3
60.99306	3.4
67.01891	9.4
69.03491	2.7
71.01384	9.7
72.99307	0.5
73.02937	1.6
77.23289	0.6
81.03451	2.0
83.01389	1.4
83.05023	1.6
85.02950	2.4
87.00883	13.9
89.02454	3.0
93.03458	68.1
93.38000	0.5
94.03786	2.1
95.01363	0.8
98.19849	0.9
99.00867	1.7
101.02425	3.2
103.00329	0.6
103.92202	0.5
104.28370	0.6
108.81406	0.6
111.00874	6.7
111.04514	9.3
112.01213	0.5
113.02422	2.0
115.04060	0.7
119.05009	2.5
125.09729	1.4
129.01953	6.9
129.07396	0.6
137.02438	0.9
155.03477	3.9
163.04022	3.8
171.10258	2.4
173.04544	25.4
175.02414	0.9
191.05606	8.9
209.08209	1.1
233.30931	0.6
337.09116	2.7
338.16187	0.7
355.24808	2.3
373.25916	7.0
387.27429	0.9
517.30408	4.5
533.29102	0.6
535.31207	48.9
536.31567	9.3
577.56348	0.7
621.31342	17.2
622.31445	3.1
709.36493	100.0
710.36884	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03031	3.7
59.01375	16.7
61.98819	10.7
69.72233	7.7
69.72629	17.5
71.01374	22.4
73.02956	3.5
73.46251	3.4
78.95937	4.7
83.05009	4.2
89.02430	6.1
97.45723	3.9
101.02415	6.9
113.02451	4.8
116.92867	42.2
116.94057	3.9
163.11316	4.8
171.10313	6.5
183.13879	58.7
197.11871	7.1
199.09703	26.5
207.10266	15.7
209.11790	29.6
211.13399	100.0
212.13734	9.4
225.11272	9.6
227.12852	22.9
235.08208	15.0
253.09207	16.7
293.21277	5.5
375.21527	8.0
393.22821	4.8
445.21362	4.7
445.59851	3.8
447.22403	12.8
463.22018	8.1
593.29651	7.8
611.30518	9.7
629.32129	8.6
637.31970	14.1
655.33466	16.6
673.34393	14.9
709.31799	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	709.357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04334	2.2
59.01382	12.6
61.98837	6.6
69.49718	13.6
69.97680	1.8
71.01385	5.1
73.02937	4.1
75.26605	2.0
78.95899	10.5
89.02457	4.1
98.20596	4.1
101.02473	4.6
109.06603	5.4
113.02458	2.7
116.92858	6.8
136.47511	2.0
137.09779	2.1
146.69374	2.0
152.99625	6.6
163.11218	3.1
165.12831	2.4
166.50237	1.8
171.10236	7.9
181.08781	3.7
183.13962	11.1
197.11841	3.0
199.09766	36.7
200.10136	2.5
207.10213	13.7
208.10655	2.3
209.11804	7.6
211.13393	100.0
212.13852	4.6
225.11343	12.9
235.08191	6.9
238.92059	2.4
253.09230	9.6
375.21664	3.9
401.23404	5.0
435.18875	6.6
447.22433	9.8
461.20889	2.3
593.29346	6.5
611.30646	7.3
629.31677	7.0
637.32574	6.5
638.32690	2.1
641.35553	2.5
655.33435	9.0
673.34204	3.0
677.36096	5.4
709.35980	9.2
710.36926	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
56.76207	0.6
57.03451	14.7
59.01384	6.5
62.79727	0.6
66.62753	0.5
68.99834	0.9
70.70640	1.3
71.01379	6.2
72.99302	1.7
75.00885	1.1
83.01411	3.7
84.02177	2.5
85.02953	100.0
86.03290	2.3
87.00872	1.5
89.02454	2.4
90.42364	0.6
91.79327	0.6
91.79884	0.7
93.03460	1.5
96.95984	0.8
97.83504	0.5
99.00842	0.7
101.02438	1.1
103.00377	2.5
111.00873	4.7
115.00401	0.6
119.05040	1.8
129.01950	9.0
130.77786	0.6
132.57932	0.6
133.01451	2.0
135.04536	11.9
147.02980	12.3
161.02412	1.3
163.04010	1.8
173.00940	1.8
173.04546	1.0
179.03485	11.0
179.07608	0.6
180.03877	1.2
191.01979	58.1
191.05603	21.0
192.02325	1.4
192.05930	1.4
209.03023	60.3
210.03372	2.6
307.47119	0.8
326.73511	0.7
337.05585	1.8
353.08765	18.6
354.09250	2.5
355.06674	28.0
356.06995	2.8
522.21118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47715	0.7
51.91986	0.6
58.35125	0.7
59.01361	3.7
61.98826	2.0
69.85609	2.5
69.86030	1.3
71.01380	2.9
78.95905	2.4
82.10400	0.7
83.24289	0.7
89.02467	2.1
94.44826	0.7
98.20560	1.3
101.02436	2.3
113.02466	1.2
134.10387	0.7
152.99567	1.6
161.04517	1.7
183.13913	6.0
193.12207	1.4
193.41118	0.9
210.92221	0.8
211.13385	100.0
212.13745	6.2
225.11275	0.9
235.08232	3.4
249.62279	0.7
253.09280	7.4
277.21719	72.4
278.22086	7.0
279.23187	2.0
447.22287	5.0
453.15439	0.9
485.37149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	3.3
61.98831	7.8
69.51057	4.3
78.95905	100.0
81.03467	1.1
83.05025	3.6
96.96967	8.3
97.47652	0.9
98.20635	1.7
99.08187	1.1
101.02493	0.9
109.09032	0.8
129.09227	1.6
134.98463	1.0
136.49956	0.9
152.99586	55.2
153.99825	1.0
163.11220	2.6
164.01291	0.9
165.12811	1.2
169.12343	1.4
171.10133	1.5
181.12332	1.1
197.11806	7.2
199.13373	3.5
209.11812	46.2
210.12123	2.9
211.13443	5.6
227.12842	3.5
291.19601	2.3
293.21167	7.3
294.21454	1.0
311.22308	14.5
312.22556	1.5
363.12119	6.2
395.14746	8.2
396.14679	1.1
398.94180	1.0
447.21527	15.1
448.21329	1.2
465.22720	5.0
485.33096	1.2
675.35101	48.2
676.35419	10.4
707.37750	36.1
708.38031	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	707.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	11.2
59.01381	9.7
60.99314	3.1
61.98830	5.3
62.23872	0.4
65.03957	0.9
67.01891	9.7
69.03462	2.5
69.53856	3.2
71.01379	8.3
72.99272	0.6
73.02947	1.7
76.61938	0.5
81.03438	1.7
81.43732	0.4
83.01382	1.7
83.05024	2.1
85.02953	4.2
87.00873	14.3
87.01382	1.0
89.02445	3.5
93.03459	67.6
94.03802	2.1
95.01377	0.6
96.96024	0.6
99.00871	2.2
101.02422	4.7
109.02950	1.0
111.00881	5.5
111.04525	10.0
113.02464	2.1
119.03494	0.7
119.05044	1.0
125.02449	1.4
125.09721	1.4
129.01965	5.4
137.02443	1.8
154.99802	0.6
155.03496	3.8
163.04004	1.0
163.11383	0.5
165.01849	0.6
171.10252	4.7
173.04552	17.8
174.04996	0.5
191.05597	7.0
201.11322	0.9
209.11829	1.0
227.12857	0.8
289.07556	0.5
341.23328	0.7
353.23364	3.8
354.23703	0.7
371.24319	7.7
372.24768	0.9
389.18240	0.7
515.28430	3.0
516.28827	0.7
533.29657	39.3
534.30103	7.4
539.44049	0.5
619.29730	12.4
620.29730	2.4
644.27960	2.0
707.34949	100.0
708.35266	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	707.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69937	0.7
55.01825	1.3
57.03452	26.6
57.03713	1.6
58.00549	1.1
58.03735	0.9
59.01379	16.9
59.76947	0.9
60.99261	2.8
61.98828	12.7
67.01891	7.5
69.03406	2.2
69.84184	3.9
71.01379	13.9
72.99266	1.6
73.02904	3.1
81.03416	2.3
83.01369	4.0
83.01764	0.8
83.04971	1.6
85.02950	7.0
87.00876	11.5
87.04483	0.8
89.02448	7.7
92.04106	0.7
93.03461	49.9
94.03756	1.4
95.01363	1.5
96.96006	6.0
99.00875	3.8
99.04401	0.9
101.02444	7.6
109.02936	1.4
111.00882	18.1
111.04512	7.4
113.02457	4.6
119.03460	1.9
119.04986	1.6
123.08086	1.0
125.02385	1.9
125.09647	3.1
129.01947	14.7
137.02386	3.1
137.09665	1.0
137.27032	0.7
154.99799	0.9
155.03452	2.2
155.10796	0.9
163.03932	2.2
165.01848	1.9
171.10268	7.5
173.00772	1.4
173.03177	1.0
173.04549	15.5
185.11653	0.8
191.05638	6.3
201.11076	0.9
209.11705	2.3
225.11153	0.9
227.12837	1.0
258.95432	0.8
281.09335	0.7
309.76663	0.8
311.10416	0.9
335.22235	0.8
337.08408	1.2
341.23224	1.4
353.23373	6.8
354.23657	1.1
371.24371	15.6
372.24783	1.3
389.18182	1.2
515.28497	9.4
516.29315	1.5
531.27979	1.0
533.29645	100.0
534.30035	16.7
565.34906	0.8
569.77399	0.9
575.31061	1.1
619.29688	45.5
620.30115	8.4
644.27856	7.5
645.29486	1.2
675.18622	1.2
707.34918	74.0
708.35132	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	706.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
61.98830	100.0
62.98544	0.2
69.42228	0.8
71.01395	0.5
79.43267	0.1
83.05038	0.4
89.02454	0.3
101.02447	0.4
113.02462	0.1
119.59375	0.1
163.11319	0.2
165.12874	0.6
166.13179	0.2
167.03537	0.1
169.12399	0.1
169.40024	0.1
171.10243	0.2
183.13907	4.3
184.14226	1.8
197.11893	0.4
198.12355	0.1
207.10185	0.2
209.11821	4.3
209.13820	0.2
210.12169	2.0
211.13513	0.2
227.12910	0.8
228.13263	0.3
235.08313	0.2
253.09416	0.4
435.21210	0.1
446.21008	0.2
464.22263	0.2
673.33679	0.8
674.34729	6.7
675.35077	1.0
706.37537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95804	0.3
57.03436	0.4
59.01371	1.2
61.96077	0.3
62.63363	0.3
65.00323	0.6
69.24614	3.4
70.02972	1.0
70.75664	0.4
71.01378	5.7
78.16784	0.4
85.02934	0.5
88.04039	68.6
89.04377	0.7
93.03441	0.8
96.95998	0.3
96.99314	1.4
97.64406	0.4
98.19940	0.8
107.01382	0.5
114.01971	5.6
115.00362	11.0
125.02420	1.5
126.09251	1.2
127.07648	4.9
132.03024	55.9
133.03375	1.1
148.01630	0.4
151.00333	2.1
161.02541	0.4
163.00323	0.4
173.04536	1.0
178.99768	0.6
180.10367	0.5
191.05597	0.6
198.11313	2.5
224.09319	0.8
227.03542	0.5
228.63536	0.4
242.10324	100.0
243.02979	1.0
243.10687	6.6
245.04666	0.5
254.02103	0.6
255.02959	4.6
271.02469	9.4
272.02957	1.2
273.03912	0.5
285.03741	0.5
300.02737	19.8
301.03436	8.2
302.03760	0.6
303.35043	0.5
463.08810	25.2
464.09000	3.0
569.44562	0.4
601.12494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22124	0.2
59.01369	1.6
61.98812	0.2
70.83369	0.7
71.01379	1.3
73.02953	0.5
80.02676	1.0
81.03461	1.0
83.01379	0.4
83.05020	3.8
84.02158	0.6
85.02975	0.3
87.00888	0.3
89.02454	1.4
95.05021	0.7
97.06527	0.2
100.87651	0.2
101.02449	1.5
109.06625	0.3
113.02441	0.7
119.03512	0.4
125.06103	0.5
135.08183	0.5
147.11829	0.3
161.04555	0.5
163.11278	3.2
165.12851	2.3
171.10205	0.6
179.05661	0.3
181.12317	0.7
191.10782	0.7
209.11819	100.0
210.12155	6.8
227.12885	13.5
228.13287	1.2
235.08269	1.5
247.13347	0.3
253.09280	4.5
254.09706	0.4
362.21164	0.3
441.11877	0.3
445.20834	1.9
446.21240	0.3
559.94812	0.3
637.32202	0.6
645.81873	0.2
655.33240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.6
61.98833	100.0
62.98525	1.3
69.21891	13.0
71.01392	7.7
78.95901	2.7
78.98566	1.7
79.95717	2.7
80.96510	16.4
83.05009	1.9
85.02907	1.5
88.87076	1.4
93.32527	1.4
94.98083	4.2
101.02414	1.6
109.06567	1.6
116.92828	2.5
125.02386	1.8
148.99054	1.6
164.98486	1.8
165.12981	1.4
197.11852	2.9
207.10269	2.5
209.11821	61.7
209.13814	3.3
210.12123	4.0
211.13423	7.2
223.13390	32.5
225.00633	5.2
227.12897	16.1
235.08231	2.3
251.87839	1.4
253.09453	7.2
433.63992	1.6
445.20547	6.2
459.22104	2.0
493.16919	1.8
627.40009	1.5
647.39465	1.3
651.33722	6.2
652.34985	1.7
669.34631	3.6
705.32062	51.6
706.32098	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	705.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85068	0.9
56.51702	0.7
59.01377	1.5
61.98831	100.0
62.98526	1.1
71.01379	6.9
78.95901	1.6
80.96516	4.3
83.52277	0.8
87.00859	0.8
101.02446	1.6
113.02477	0.8
137.02544	0.8
171.10265	0.9
205.12405	1.0
207.10237	3.4
209.11823	18.4
210.12204	1.6
211.13406	6.4
223.13399	18.8
225.00662	1.2
225.11284	1.4
227.12955	5.1
235.08191	1.5
253.09142	2.1
263.85400	1.0
285.03888	0.9
286.68173	0.9
459.22375	5.8
509.67294	0.9
534.15387	1.1
651.33777	2.4
673.34790	1.3
679.10187	0.9
705.32031	17.5
706.32611	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66921	0.2
55.46071	0.2
59.01379	2.5
61.98830	100.0
63.53503	0.2
66.39091	0.2
70.83775	0.5
71.01384	2.6
72.99298	0.2
73.02946	0.8
73.03400	0.2
80.02656	0.4
80.96514	0.6
81.03416	0.5
83.01393	0.4
83.05032	2.4
84.02157	0.6
85.02957	0.9
87.00864	0.6
87.15739	0.2
89.02464	1.7
97.06593	0.3
99.00894	0.4
101.02454	2.8
111.08149	0.4
113.02462	1.1
119.05057	0.3
122.25953	0.2
125.02405	0.4
125.06085	0.4
125.09747	0.3
133.41273	0.2
135.08154	0.4
145.05139	0.3
146.40149	0.2
161.04573	1.0
163.03902	0.4
163.11284	1.9
165.12840	4.0
166.13167	0.4
167.03484	0.3
179.05603	0.3
181.12416	0.4
183.13895	37.0
184.14220	2.0
191.10825	0.5
194.80467	0.2
197.11835	2.0
198.12155	0.7
199.13544	0.3
207.10260	0.3
209.11818	36.4
210.12172	3.1
211.13362	0.8
225.11331	0.6
227.12880	5.7
228.13139	0.4
235.08206	0.9
253.09325	2.5
302.57214	0.3
404.48395	0.2
445.20615	0.8
463.21860	1.5
497.09982	0.3
510.46170	0.2
580.30121	0.3
655.32776	0.8
673.34369	40.9
674.34760	7.1
674.59131	0.3
705.37354	4.0
706.37128	1.1
729.82642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
59.01372	1.2
60.99277	0.4
65.03093	0.3
67.01888	3.7
69.03445	1.0
69.47287	2.0
71.01374	3.3
81.03477	0.9
83.01377	0.5
83.05005	0.6
85.02949	2.7
87.00874	0.8
93.03457	23.5
94.03773	0.7
95.01361	0.5
98.20594	0.7
99.04522	0.7
109.02951	1.5
111.00889	0.7
111.04535	4.5
113.02460	0.4
117.03476	0.8
119.05029	12.7
120.05347	0.5
121.02954	0.6
123.00910	0.4
125.02441	4.9
127.04001	0.7
129.01938	0.6
134.03740	8.4
135.04471	0.9
137.02449	5.1
149.06078	1.0
154.01530	0.5
155.03491	4.6
163.00313	0.6
163.04013	10.2
164.01099	0.4
164.04337	0.7
165.01884	0.6
167.03477	0.7
173.04541	100.0
174.04890	3.7
177.01915	3.6
178.02673	0.5
179.03490	0.8
184.96857	0.4
191.05603	21.5
192.05965	0.9
193.05028	5.3
209.68506	0.4
219.06593	0.6
252.07860	0.5
253.08670	0.7
273.04367	0.5
280.07538	0.6
283.02579	0.5
303.05063	0.7
305.06573	4.3
313.10831	1.7
337.09265	25.2
338.09778	1.8
357.09763	16.0
358.10165	1.4
367.10342	7.1
373.13223	0.4
423.07217	1.2
441.07834	0.6
469.06503	0.5
531.14899	5.7
532.15460	0.7
537.13965	0.4
705.20221	3.1
706.20435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11061	0.9
57.03439	2.9
59.01376	2.6
64.65362	0.9
67.01886	2.8
71.01374	3.4
71.52430	1.1
73.02930	0.9
75.33193	0.9
76.04514	0.9
81.03460	1.9
83.01382	1.6
83.05017	1.4
85.02940	8.6
87.00873	1.8
89.03982	1.8
93.03458	21.4
96.96012	1.7
103.23452	0.9
109.02962	4.6
111.00907	1.2
111.04533	6.5
113.23312	0.9
117.03461	6.1
119.05020	16.7
120.05331	1.3
120.99646	1.7
121.02968	1.8
123.04493	1.0
124.01615	0.9
125.02444	21.5
127.04014	1.4
129.01932	1.5
133.02960	3.3
134.03745	86.9
135.04547	2.8
137.02444	11.0
139.04028	2.7
143.04965	1.5
145.03001	1.1
149.02451	2.2
149.06094	8.3
151.04012	1.1
155.03511	6.0
158.03708	1.2
159.04573	1.5
161.02425	1.1
162.02927	0.8
163.00313	1.7
163.04015	11.7
164.01129	3.8
165.01874	4.7
167.03456	3.6
173.04546	58.9
174.04880	2.4
175.00339	1.6
175.03960	1.6
177.01917	11.5
177.05515	1.5
178.02444	1.3
179.03490	5.3
179.04802	0.9
187.03990	1.0
191.02005	1.4
191.03793	1.6
191.05605	43.2
193.05049	100.0
194.05371	4.9
195.49203	1.0
200.97693	1.0
203.03517	1.4
205.01530	1.0
219.06575	2.5
231.00848	1.0
243.02826	0.9
251.07178	2.5
253.08662	1.5
254.09436	1.1
255.03036	2.3
257.04367	1.4
261.04224	1.1
273.04276	1.1
280.07413	2.1
283.02499	1.2
284.03357	1.0
289.07104	2.4
295.09702	2.3
301.03546	2.2
303.05075	1.1
305.06665	23.4
305.10147	1.4
306.06995	1.6
313.10742	1.6
337.05402	1.1
337.09268	13.5
338.09494	1.0
339.08606	1.1
351.07193	1.6
353.08917	2.9
357.05499	2.0
357.09781	32.3
357.14249	1.9
358.10046	3.1
367.10333	47.0
368.10840	4.5
377.55917	0.9
381.09641	4.6
399.10657	1.7
401.12476	1.4
423.07126	4.3
441.08243	1.1
531.14978	6.7
537.14124	2.1
698.87537	0.9
705.20044	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	704.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52525	0.1
54.66766	0.1
61.98830	100.0
62.98531	0.2
78.95918	0.8
98.20644	0.4
152.99628	0.6
171.10262	0.2
209.11896	0.6
211.13509	0.4
280.34808	0.1
332.84012	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
59.01374	2.1
60.99297	0.4
67.01884	2.5
69.03458	0.8
69.96510	1.1
71.01382	2.7
72.27969	0.2
73.02925	0.4
81.03473	0.7
83.01386	0.3
83.05020	0.7
85.02952	9.1
87.00867	2.0
88.34216	0.3
92.24121	0.3
93.03458	17.3
94.03828	0.6
96.96021	0.9
96.99287	0.3
109.02948	1.9
111.00878	0.8
111.04532	4.1
111.05254	0.5
113.02425	0.3
117.03488	0.8
119.05028	7.9
121.02921	0.5
123.04535	0.6
125.02446	4.3
127.04031	2.1
134.03745	7.9
137.02451	4.5
147.04575	0.5
149.06055	0.6
155.03497	2.8
159.04506	0.5
161.02432	0.3
163.00365	0.3
163.04005	6.8
164.01082	0.4
164.04440	0.3
165.01930	0.7
167.03540	0.7
171.02979	0.8
173.04544	61.5
174.04881	2.4
175.03879	0.3
177.01936	2.9
178.02713	0.5
179.03461	0.3
184.78236	0.3
187.04025	0.4
191.05608	100.0
192.05937	2.9
193.05064	5.7
193.97014	0.3
194.05426	0.5
210.00471	0.3
226.06354	0.5
241.08647	1.0
243.02873	0.4
251.07144	0.7
253.08577	0.5
261.04022	0.3
279.06424	0.5
280.07388	0.9
285.04013	0.4
295.09708	0.7
297.03970	0.3
303.05295	0.3
305.06717	2.7
306.07120	0.5
313.10797	1.0
337.09259	13.5
338.09515	1.0
339.08865	0.6
357.09766	13.6
358.10114	1.2
367.10275	5.4
368.10245	0.5
423.07117	0.5
441.08276	0.3
531.14960	2.3
705.20105	3.7
706.20764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.24335	0.1
70.15536	0.6
78.95911	0.3
192.31706	0.1
209.11775	0.3
211.13385	0.7
212.13727	0.3
220.85468	0.1
714.36401	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60939	0.1
59.01372	0.2
61.98829	100.0
62.98534	0.2
78.95911	0.5
88.38378	0.1
93.41760	0.1
98.20750	0.2
125.02476	0.1
141.29742	0.1
148.03830	0.1
148.31528	0.1
152.99651	0.2
209.11835	0.4
210.95073	0.1
211.13390	0.9
212.13742	0.6
213.13956	0.3
214.14325	0.1
255.25500	0.1
275.25833	0.1
457.24240	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	704.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08768	0.1
59.01379	1.4
60.01706	0.1
61.98830	100.0
62.98544	0.1
69.93272	0.4
73.06578	0.1
98.20577	0.1
124.16062	0.1
209.11845	1.3
277.21713	1.1
483.15341	0.3
484.15646	0.5
497.16763	0.2
498.16937	0.2
557.19135	0.4
558.18896	0.9
575.16095	0.3
643.45758	0.1
644.22565	0.6
704.23102	2.6
705.22675	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
78.95907	37.8
99.65607	22.7
126.04985	21.7
152.99533	25.6
246.68777	23.6
255.07455	21.3
255.23209	32.4
277.21631	43.9
289.68307	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	703.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
71.78586	9.3
74.99362	9.4
78.95900	10.9
96.21120	10.8
105.10590	12.7
171.10309	20.2
188.41508	11.3
209.11900	10.9
277.21860	12.2
283.96091	11.4
451.80719	11.7
550.10815	11.6
605.24939	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57644	0.1
52.62833	0.1
59.01377	1.8
60.01704	0.1
60.08892	0.1
61.98830	100.0
62.98534	0.2
70.69012	0.1
70.69370	0.1
74.55923	0.1
80.47295	0.1
85.44973	0.1
113.56110	0.1
190.15120	0.1
204.20543	0.1
441.13626	0.1
468.96027	0.1
483.15305	0.2
484.15060	0.3
498.16998	0.2
556.18762	0.1
557.18469	0.3
558.19159	0.7
559.19379	0.1
574.16028	0.1
575.15686	0.2
637.10742	0.1
644.23169	0.5
703.25092	0.1
704.23492	2.5
705.22937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.98829	100.0
62.98539	0.2
66.46896	0.1
69.24019	0.9
71.01385	0.1
73.10736	0.1
83.05003	0.1
89.02431	0.1
98.20675	0.2
116.92857	0.6
125.02444	0.1
146.90729	0.1
169.12395	0.1
171.10298	0.1
178.57230	0.1
178.98157	0.1
186.08223	0.1
197.11827	1.2
209.11806	2.2
210.12135	0.6
211.13377	0.4
212.13689	0.1
213.31433	0.1
225.11458	0.2
227.12950	0.3
237.14944	1.4
238.15268	0.7
253.09406	0.3
255.16025	0.2
256.16434	0.2
354.44586	0.1
599.88531	0.1
624.34009	0.2
642.35309	0.2
671.32886	0.1
703.30939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16358	0.3
55.01867	0.3
57.03452	0.3
58.00600	0.3
59.01378	3.0
61.98832	8.0
61.99157	0.4
69.32642	0.6
69.33037	2.1
71.01386	2.8
73.02953	0.5
75.11922	0.3
80.02674	1.9
80.96508	0.9
81.03458	0.8
83.01360	0.4
83.05022	2.9
84.02152	0.8
85.02936	0.8
89.02437	1.9
89.59779	0.3
93.03433	0.4
95.01327	0.3
95.05016	0.6
98.20626	0.6
101.02447	2.3
109.06613	0.4
113.02457	1.5
116.92857	0.5
119.03507	0.7
125.02421	0.8
125.06064	0.5
125.09725	0.5
135.08099	0.4
139.04028	0.3
145.05017	0.6
161.04521	1.0
163.04089	0.4
163.11247	1.8
165.12848	0.7
171.10265	0.6
181.12430	0.5
191.10771	0.4
191.14455	0.4
193.15982	1.0
199.13367	1.8
209.11821	55.8
209.42198	0.3
210.12201	3.5
211.13390	0.9
219.13878	1.3
223.13452	0.3
227.12877	8.4
228.13229	0.6
235.08195	1.9
235.13354	0.4
237.14955	100.0
238.15309	6.9
238.17625	0.5
247.13335	0.5
253.09268	9.0
254.09734	0.3
255.16010	15.9
256.16388	1.2
264.08752	0.3
265.14404	0.3
275.16632	1.0
281.16943	0.3
293.17590	0.4
447.27652	0.4
458.72748	0.3
473.24020	1.1
665.35748	1.2
683.37506	0.4
701.29065	1.0
702.39154	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97572	0.1
55.01847	0.1
59.01379	6.3
61.98816	0.5
69.03452	0.3
71.01377	1.3
73.02931	0.4
78.95903	0.4
81.03461	0.1
83.05009	0.2
85.02943	0.4
87.00858	0.4
89.02441	0.8
98.19787	0.2
101.02438	1.3
111.08163	0.2
113.02458	0.7
119.03511	0.3
145.05054	0.3
155.10754	0.2
156.14886	0.1
161.04585	0.7
165.12833	0.2
167.10745	0.2
167.14418	0.6
171.10263	0.5
179.05615	0.5
183.13896	6.5
184.14247	0.2
193.12323	1.8
209.11868	0.8
211.13382	100.0
212.13719	6.4
227.12888	0.2
235.08229	1.4
253.09285	3.6
254.09630	0.2
387.25336	0.4
405.26703	0.2
429.21286	1.4
447.22336	8.8
448.22910	0.9
597.32672	0.3
623.34515	1.7
624.34662	0.4
641.35486	0.8
642.35455	0.2
701.37042	0.2
702.39954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15421	0.3
59.01380	100.0
60.01733	1.0
61.98798	0.4
85.55459	0.3
132.43489	0.3
139.89537	0.3
147.79498	0.3
208.25485	0.3
423.11182	0.4
424.11636	0.4
437.12442	1.0
438.13248	3.4
439.13647	0.6
451.14288	0.8
452.14764	1.3
453.15540	1.0
455.10260	0.5
467.13467	0.8
469.11850	0.4
470.12311	0.4
480.14120	0.9
481.15161	30.4
482.15607	7.8
495.16785	10.9
496.17349	3.9
497.18411	5.9
498.18958	1.6
514.14880	2.3
515.15240	0.5
523.16364	0.5
525.14545	1.0
528.16730	0.4
539.15668	2.4
540.16547	8.4
541.16675	2.2
553.17291	0.7
554.18140	2.5
555.18854	52.5
556.19067	13.4
567.18976	1.1
569.20111	0.6
572.15503	15.1
573.15674	3.4
586.17041	6.5
587.17108	1.2
600.18719	0.4
609.20074	1.4
610.20209	0.6
627.20856	1.0
641.22577	26.2
642.22705	7.1
701.24652	69.9
702.24927	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	701.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42203	0.8
51.90302	0.8
53.03030	0.7
53.35845	0.7
55.88538	0.7
59.01380	100.0
61.98821	2.5
64.26208	0.8
65.46261	0.7
71.09670	0.9
71.10022	1.7
78.95891	0.9
81.62733	0.8
83.01725	0.8
97.70946	0.7
100.24073	0.8
142.20331	0.9
149.62355	0.8
183.75995	0.8
255.23335	2.2
378.14969	0.8
438.13373	4.0
439.13812	1.6
452.14984	2.2
455.10040	1.5
455.16290	0.8
480.14423	1.3
481.15170	40.4
482.15488	11.1
492.60471	0.9
495.16827	10.8
496.17273	4.2
497.18625	5.2
514.14948	3.4
525.13837	1.0
539.15967	2.1
540.16461	10.2
541.16888	3.5
554.18188	2.4
555.18878	78.2
556.19208	17.3
567.19226	2.3
568.19012	1.7
569.20557	2.3
572.15521	22.2
573.15759	5.1
586.16956	6.5
587.18176	1.2
599.22162	1.2
609.20160	1.0
626.19849	1.0
641.13812	0.6
641.22510	37.6
642.22778	10.5
701.24677	79.2
702.24915	23.1
703.32611	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76411	0.6
52.59333	0.6
55.24019	0.6
55.71276	0.6
57.03444	0.9
59.01374	2.7
64.11459	0.6
67.01867	1.6
69.03455	41.4
69.48936	4.6
69.87415	0.7
71.01382	5.5
82.03872	0.6
83.01374	0.9
85.02948	24.7
87.00888	2.5
89.02444	0.9
97.06582	8.9
98.00061	0.8
99.00889	0.9
111.00871	6.3
112.01669	17.5
112.98837	0.6
113.02451	40.5
114.02779	1.1
123.08194	1.2
124.14088	0.7
124.81663	0.7
125.02454	2.4
132.58348	0.7
138.29807	0.7
139.07683	0.7
157.01419	100.0
158.01762	2.9
167.07201	0.7
170.25526	0.9
175.02477	3.2
177.01898	1.5
193.08717	1.1
237.05588	1.5
237.87759	0.7
255.08728	83.9
256.09192	5.9
269.04541	19.9
270.04919	2.0
281.04675	1.3
445.07666	6.5
569.31763	1.8
701.35693	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13872	0.5
59.01359	1.6
59.30672	0.5
60.99302	7.6
69.14790	1.7
69.15213	3.6
71.01376	0.8
83.01391	0.8
85.02959	1.7
85.97522	0.5
88.98805	31.7
89.02445	0.6
98.19846	1.2
103.59756	0.5
107.01358	1.2
108.02189	1.1
111.49144	0.5
118.98066	0.5
121.02947	0.9
128.86800	0.5
148.01659	0.9
151.00377	4.4
163.00374	0.8
164.01105	0.7
173.04494	0.8
178.99939	2.8
183.27831	0.6
209.11864	0.5
226.02649	1.5
227.03403	1.7
243.02963	8.1
244.03403	0.6
245.03989	0.6
254.02196	1.9
255.02983	19.3
256.03256	1.4
257.76700	0.6
271.02466	43.4
272.02814	4.4
272.65048	0.5
285.04126	0.8
299.01935	2.0
300.02737	99.0
301.03207	13.0
313.91028	0.5
320.45859	0.7
447.09283	0.5
609.14606	100.0
610.14905	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	699.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.2
56.24822	0.2
57.03446	1.7
58.89037	0.2
59.01389	1.8
59.46903	0.2
62.84013	0.2
65.03962	0.4
69.29043	2.1
71.01379	0.5
79.95728	0.7
83.05031	1.8
85.02940	0.5
87.00876	2.5
89.02438	0.5
93.03455	1.4
95.05006	0.3
96.96011	33.5
101.02428	0.3
106.61772	0.2
109.02975	0.5
109.06628	0.4
111.04507	1.4
111.08180	0.5
113.06107	0.2
119.05004	1.0
119.08717	0.3
121.06596	1.3
123.08166	5.8
124.05315	0.3
125.02464	0.3
135.08136	0.4
137.02419	0.4
137.09721	0.9
139.07652	1.0
145.10239	0.8
150.03250	0.5
151.07643	0.9
152.01212	0.2
153.09195	0.9
161.04408	0.2
163.04044	0.9
163.11333	0.3
165.05554	0.5
169.08665	0.6
169.10237	0.8
169.94736	0.3
171.11790	8.0
172.12096	0.7
173.04533	3.3
177.01886	0.3
177.12811	0.2
178.15811	0.3
185.09702	0.3
189.12862	2.8
190.13196	0.3
191.05600	0.7
195.06613	0.5
201.12851	2.8
207.13875	1.8
219.13878	1.2
230.00600	0.3
237.14949	10.3
237.92941	0.3
238.15276	0.5
281.13940	17.6
282.14240	1.0
317.10596	0.6
321.96210	0.3
337.09302	1.4
350.48578	0.3
361.09607	100.0
362.09921	7.1
516.70044	0.3
537.19727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53258	0.6
59.01378	18.0
61.98816	1.8
69.99841	2.0
71.01382	2.5
75.00867	0.6
76.11639	0.5
77.37740	0.5
80.98234	0.5
83.01387	0.6
85.02942	0.6
85.68393	0.5
87.00835	0.8
89.02433	2.2
101.02428	2.5
113.02448	0.9
156.43530	0.6
161.04550	1.5
167.10692	0.5
171.10301	0.9
183.13901	5.7
193.12317	1.3
209.11818	89.0
210.12154	5.9
211.13387	100.0
211.38820	0.5
212.13737	6.8
222.62544	0.5
235.08214	4.9
251.92160	0.5
253.09261	7.1
323.05618	0.5
429.21323	3.2
445.20636	3.4
447.22418	6.9
448.22516	0.9
456.43546	0.5
639.33777	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21733	0.4
59.01371	0.6
63.75497	0.4
67.01870	0.5
71.01385	1.6
71.52203	0.6
76.75904	0.4
83.05000	0.8
85.02934	4.2
93.03455	4.5
96.96026	0.7
96.96994	0.5
97.64274	0.4
109.02889	0.8
111.04517	2.2
116.92900	0.5
119.05024	47.5
120.05361	2.0
125.02428	1.1
135.04512	1.1
137.02409	1.0
145.02917	0.7
147.03067	0.6
155.03517	2.7
163.04007	100.0
164.04329	4.4
173.04546	11.5
173.06050	0.6
173.08647	0.5
174.04817	0.9
185.02206	1.1
191.01974	2.2
191.05597	9.5
191.07182	0.8
204.25313	0.6
209.02985	3.2
337.09265	37.5
338.09689	3.8
346.12613	0.5
355.06650	1.3
359.07422	4.8
523.12415	1.2
697.17365	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	698.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
61.98830	100.0
64.36616	0.2
69.56229	0.2
71.51727	0.4
74.77662	0.2
77.68029	0.2
86.58900	0.3
161.02583	0.3
245.47949	0.2
255.23380	0.6
511.26855	0.3
557.91492	0.3
698.32349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01386	1.0
67.01882	1.1
68.16629	0.3
71.01397	1.3
71.52094	0.4
81.03463	0.7
83.05046	0.7
85.02939	2.9
87.00868	0.8
89.02444	0.5
89.03979	1.0
93.03461	7.0
97.02962	0.6
109.02940	1.6
110.03355	0.4
111.04527	3.3
117.03462	4.7
119.05037	1.4
123.04535	1.1
125.02444	1.5
127.03985	0.8
129.02020	0.6
134.03743	92.4
135.04045	3.9
137.02438	1.8
139.04073	0.4
149.06073	6.7
151.03941	0.5
155.03516	2.6
162.78862	0.3
163.04001	1.3
167.03526	1.5
173.04539	21.0
174.04868	0.7
175.02568	0.4
175.04042	0.3
179.03583	0.4
191.05611	28.0
192.05945	1.2
193.05052	100.0
194.05377	5.2
203.07137	0.4
204.07457	0.4
243.02795	0.4
245.08380	0.6
246.08669	0.5
282.63153	0.3
289.07208	3.2
290.07559	2.9
291.07895	1.4
327.85144	0.3
329.08987	0.4
367.10315	53.9
368.10699	4.6
485.47351	0.4
523.12286	0.5
697.17767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
57.03446	14.1
58.03781	0.8
59.01370	6.5
68.99789	0.9
70.18983	2.5
71.01377	4.9
72.99300	2.2
73.02926	0.7
75.00871	2.2
83.01377	3.8
84.02168	2.2
85.02950	100.0
86.03278	2.6
87.00877	1.1
89.02449	1.6
101.02455	0.7
103.00375	1.4
111.00882	5.0
116.88271	0.7
119.05042	1.4
129.01936	6.8
133.01422	1.9
147.02983	12.5
151.24908	0.7
163.03984	2.3
170.58981	0.6
173.00864	2.6
191.01973	54.0
192.02293	2.6
195.31738	0.7
199.43451	0.7
209.03014	46.0
210.03325	1.8
227.47148	0.8
252.29985	0.7
261.50235	0.7
337.05585	1.1
355.06668	28.5
356.06976	3.3
440.58215	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56424	0.5
56.74132	0.5
59.01379	100.0
60.01732	1.0
61.98823	4.0
64.46152	0.5
70.67183	1.4
116.92885	0.6
121.02995	1.5
125.02468	0.7
152.88785	0.5
171.10330	2.3
176.39426	0.5
191.03468	0.5
209.04619	1.6
209.11790	0.6
211.13457	0.9
289.18259	1.2
593.13116	1.2
634.47253	0.6
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
50.10081	0.6
59.01380	100.0
60.01713	0.9
61.98828	1.4
69.61369	4.4
69.63937	0.6
78.95899	8.2
87.39169	0.6
98.20599	0.9
119.87566	0.6
149.00188	0.7
205.15923	0.8
224.10275	0.6
301.27774	0.7
447.13043	0.7
686.33301	1.0
695.31110	39.7
696.31567	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	695.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47682	0.4
54.88954	0.4
54.90431	0.4
57.03449	3.1
59.01376	1.8
68.77507	0.4
69.03433	0.8
70.79016	0.4
71.01396	1.0
71.52589	0.5
71.86589	0.4
73.02989	0.5
81.03448	2.3
83.01389	3.7
85.02959	2.0
87.00878	1.7
87.25382	0.4
89.02482	0.5
93.03443	3.0
95.01425	0.4
95.05023	2.5
96.96009	1.4
97.02954	5.1
101.02438	0.6
105.03402	0.4
108.02174	0.7
109.02953	24.2
110.03268	0.5
111.04473	0.5
115.00345	0.8
117.03479	0.5
119.05016	1.6
121.02958	2.9
122.03732	1.2
123.04532	16.4
124.04864	0.8
125.01527	0.8
125.02453	17.0
126.02795	0.8
126.23545	0.4
133.02896	0.6
135.04523	3.2
137.02454	9.9
138.03210	0.8
139.04051	3.5
145.02904	1.3
145.06633	0.6
146.03630	0.6
147.04491	0.6
149.02449	3.6
150.03192	1.1
151.04008	7.5
154.02719	0.6
159.04518	2.8
160.05272	1.6
161.02457	1.2
161.06087	5.0
162.03259	2.1
163.03993	1.8
164.01154	3.5
165.01903	3.5
166.02425	0.5
167.03505	3.1
172.53448	0.6
173.04526	1.9
173.06053	1.1
174.03200	0.5
175.02446	2.1
175.03998	2.5
175.07629	2.3
177.05600	0.5
179.03517	5.4
185.06107	1.2
187.04024	4.8
188.04794	4.1
189.05501	1.0
191.01976	1.1
191.05582	1.8
192.05980	0.6
193.05011	0.6
199.03999	0.5
201.05412	0.6
202.06395	1.9
203.07132	12.6
204.07425	0.6
205.05064	8.9
212.04839	0.5
217.08727	0.7
221.08191	3.4
227.07054	2.2
229.05042	0.5
230.05833	0.7
243.02913	1.0
245.08180	15.0
246.08521	1.2
246.78346	0.4
247.06117	1.3
256.82208	0.4
289.07178	100.0
290.07520	8.6
337.09543	0.5
345.93250	0.4
381.13647	0.5
450.88107	0.5
527.39716	0.5
695.19360	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04621	0.4
57.03458	1.9
59.01378	2.0
59.49704	0.4
67.01908	0.4
69.03451	0.8
69.13731	3.3
71.01366	0.7
73.02948	0.3
79.16863	0.4
81.03445	2.2
83.01395	2.5
85.02937	1.3
85.48499	0.4
93.03476	3.0
95.01405	0.6
95.05029	3.0
97.02951	4.8
99.04513	0.4
101.02422	0.7
102.63337	0.3
108.02157	1.0
109.02953	21.8
110.03262	0.8
111.04525	0.9
114.90067	0.3
119.05019	0.6
121.02973	2.8
122.03733	0.7
123.04529	14.3
124.04851	0.8
125.01528	0.7
125.02456	14.1
126.02738	0.5
127.03979	0.3
135.04506	4.4
135.42821	0.3
137.02448	8.4
137.03473	0.3
138.03197	1.2
139.04025	3.1
145.02922	1.2
146.03731	1.3
147.04453	0.4
149.02420	3.3
150.03201	1.3
151.02867	0.7
151.04005	7.7
159.04546	2.1
160.05318	1.4
161.02437	0.9
161.06079	4.4
162.03166	1.2
163.03960	1.5
164.01146	2.8
165.01949	3.4
166.02647	0.4
167.03479	1.6
173.04573	5.7
173.06027	0.8
174.03273	0.3
174.04962	0.4
175.04015	1.6
175.07692	1.7
177.05569	0.8
179.03505	9.4
180.03888	0.7
185.06075	0.8
187.04028	4.1
188.04776	3.6
191.02016	0.6
191.05621	3.7
195.05295	0.5
201.05589	0.8
202.06383	1.8
203.03754	0.4
203.07140	12.1
204.07510	0.4
205.05046	6.4
212.04568	0.4
217.08672	0.7
221.08073	2.4
227.07141	2.0
231.02936	0.6
245.08174	15.7
246.08505	1.0
247.06042	1.0
271.05942	0.5
271.08560	0.6
289.07178	100.0
290.07516	9.9
291.07767	1.0
353.08905	4.7
354.08978	0.4
405.17773	4.1
449.47055	0.4
481.55478	0.4
495.85226	0.4
680.58276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51306	0.6
57.03450	1.2
58.00602	0.8
59.01379	100.0
60.01729	0.7
71.01382	25.1
71.53774	0.7
72.01729	0.9
72.99303	1.3
73.02945	25.8
83.01381	8.0
85.02966	3.1
87.00884	1.9
89.02448	8.7
93.03471	1.8
94.86864	0.5
95.01398	1.0
96.96010	0.7
101.02442	29.8
107.25782	0.6
112.88852	0.6
113.02462	11.4
119.03509	4.5
125.02457	1.8
125.09744	0.6
131.03517	2.8
131.25995	0.6
140.86905	0.6
143.03513	4.0
147.03043	0.6
149.04559	6.3
155.03528	1.6
161.04568	11.5
173.04552	4.2
179.05624	0.9
184.04184	0.6
203.05724	1.3
221.06627	4.0
227.87437	0.6
261.13544	1.2
269.04370	0.6
271.02640	0.9
300.02853	1.1
303.14676	1.7
311.61499	0.7
328.42065	0.6
525.82941	0.7
549.28772	0.9
695.31641	2.0
696.24841	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1463
Annotation	Quercetin 3-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
51.67687	0.5
64.00072	0.5
65.00325	0.6
69.18854	5.2
98.20676	1.0
107.01332	0.6
108.02170	1.6
118.35452	0.6
118.76845	0.5
121.02991	0.6
135.00887	0.6
148.01691	0.8
151.00362	3.5
163.00357	1.2
164.01234	0.8
178.99831	2.2
187.03992	0.8
199.03990	0.7
201.16264	0.5
203.03511	0.5
215.03305	0.6
226.02744	1.7
227.03520	2.4
243.02951	10.8
244.03339	1.2
254.02238	2.1
255.02986	22.7
256.03485	1.2
271.02469	54.3
272.02921	5.0
299.01947	1.9
300.02737	100.0
301.03259	11.9
313.27014	0.6
404.93054	0.6
609.15009	3.7
651.15637	54.0
652.15796	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	695.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67710	0.4
56.14110	0.5
61.88791	0.5
65.00337	0.7
69.17019	4.6
69.17329	0.7
87.86999	0.4
107.01366	1.0
108.02173	1.2
148.01680	1.3
151.00388	3.6
163.00307	0.6
164.01093	0.5
178.99863	2.5
189.04524	0.5
199.04126	0.6
215.03572	0.6
216.04201	0.6
226.02750	1.5
227.03481	2.5
243.02959	9.8
244.03304	0.6
254.02200	2.0
255.00255	0.8
255.02974	24.6
256.03311	1.9
271.02469	55.8
272.02859	5.6
299.01953	1.8
300.02737	100.0
301.03220	11.3
449.12469	0.5
559.29102	0.5
561.01752	0.5
579.69080	0.6
609.14539	10.9
610.15228	1.6
627.61438	0.5
651.15631	64.9
652.15967	13.3
670.09418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09212	2.7
57.13544	2.5
59.01364	9.3
59.27242	2.7
61.98827	24.0
64.43954	2.9
66.89869	2.6
71.01377	6.2
71.53143	4.2
75.00870	3.3
78.95898	7.3
89.81707	2.6
91.31508	2.5
93.03446	3.5
93.83948	2.8
101.02424	6.0
113.02404	2.6
116.92863	3.8
119.04974	3.5
123.04513	5.6
125.02422	6.6
152.99744	3.5
153.05515	8.0
153.79070	2.9
161.04533	3.2
163.04047	3.1
171.10265	4.8
183.13928	3.7
185.11845	3.1
207.10156	4.8
209.11816	99.5
210.12126	9.5
211.13385	100.0
212.13722	5.9
227.12906	20.8
235.08167	9.3
249.14929	4.7
253.09245	7.9
322.22479	3.2
401.22931	3.2
406.68448	2.5
445.21036	14.8
447.22122	16.0
619.31781	3.1
621.32776	21.0
622.32880	3.1
637.32416	16.3
638.33356	3.5
639.33447	23.0
640.33447	5.2
655.33569	4.7
656.33990	3.0
657.34790	8.1
693.32666	44.8
694.32953	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	693.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03446	28.4
58.00592	1.4
59.01376	16.4
61.98831	3.3
65.46678	0.8
67.01894	3.2
69.27810	2.1
69.28215	7.1
71.01382	15.9
72.99302	2.1
73.02953	2.6
81.01446	0.9
83.00887	0.7
83.01386	6.2
85.02943	7.8
87.00876	4.9
89.02464	7.1
93.03463	6.7
95.01362	1.8
99.00875	2.8
101.02441	8.2
103.00340	1.3
111.00881	24.0
111.04484	1.7
112.01286	0.9
113.02483	5.5
119.03515	1.3
125.02417	1.8
129.01942	16.0
130.02289	1.0
163.03972	1.0
171.10245	1.7
173.00934	1.5
173.04503	4.1
185.11809	3.3
191.05582	1.2
201.11290	3.4
209.11830	15.1
210.12172	3.2
211.13435	8.4
227.12912	2.6
248.48312	0.8
253.09351	1.4
309.24237	1.4
320.00925	1.0
327.25378	3.5
339.25381	8.4
357.26532	15.4
358.26691	1.4
445.20551	1.7
447.22192	1.0
501.30719	13.0
502.30887	1.1
517.30481	1.4
519.31726	100.0
520.24744	1.3
520.32068	15.8
561.32288	1.4
605.31830	55.8
606.31964	10.6
693.34814	21.8
694.35150	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	693.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.6
59.01371	6.7
61.98826	6.3
71.01376	4.0
71.54100	4.0
75.00860	2.8
79.35077	2.4
93.03456	13.7
100.00591	1.9
101.02415	2.4
104.45222	2.3
119.05035	13.9
125.02475	3.3
137.02434	11.2
155.03490	2.8
163.04018	20.9
173.04431	5.0
183.13863	9.0
184.14288	2.8
201.11316	2.7
209.11813	100.0
210.12199	9.0
211.11490	4.4
211.13409	89.4
212.13696	4.6
227.12924	24.3
233.15450	3.5
235.08212	6.5
253.09314	8.0
403.25113	2.6
429.21310	4.2
445.20792	13.0
447.22348	13.3
621.32898	27.2
622.33014	7.3
639.33600	19.6
640.34253	3.1
657.35455	4.9
693.32977	32.3
694.32788	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	693.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22857	0.5
51.68716	0.4
57.03448	3.9
59.01380	3.1
67.01859	0.6
69.03466	0.5
69.39802	2.9
71.01369	1.5
72.92901	0.4
73.02936	0.5
81.03468	2.6
83.01379	3.4
85.02951	10.9
86.03300	0.5
87.00883	0.8
88.38950	0.4
93.03456	7.2
95.05042	2.8
96.96011	1.2
97.02955	6.2
107.05026	0.5
108.02189	0.6
109.02953	21.5
110.03249	0.6
111.00861	0.9
111.04485	1.1
117.03440	0.5
119.04267	0.6
119.05045	7.3
120.05393	0.5
121.02972	3.5
122.03771	1.0
123.04533	11.7
124.04855	0.9
125.02447	15.5
127.04024	0.7
129.01942	1.8
131.05035	0.8
133.02960	0.9
134.03737	1.4
135.04533	2.8
137.02440	8.9
138.03189	1.2
139.04057	2.4
143.05009	1.5
145.02863	1.1
146.03682	1.0
147.03021	1.2
147.04492	0.9
149.02428	3.9
150.03191	1.2
151.04028	6.5
152.04401	0.4
155.03499	0.7
159.04486	2.8
160.05246	1.0
161.02432	1.6
161.06087	3.8
162.03221	1.2
163.04010	7.3
163.05295	0.8
164.01154	3.0
164.04408	0.7
165.01926	3.4
166.02411	0.7
167.03450	1.6
173.04572	9.3
173.06073	1.6
174.03372	0.7
174.04887	1.4
175.03897	2.2
175.07639	1.5
177.05585	1.0
179.03505	6.7
185.06082	0.7
187.03993	3.9
188.04787	3.9
191.01976	9.9
191.05605	23.4
192.05948	0.7
193.05013	1.7
197.09729	1.3
201.05614	1.0
202.06343	2.0
203.03467	0.8
203.07130	13.0
204.07472	0.5
205.05060	7.2
209.03021	0.7
211.07634	0.9
217.08795	0.4
221.08150	3.4
227.07146	1.5
230.05663	1.0
237.09334	0.6
239.10777	0.7
241.08716	1.5
245.08168	16.7
246.08490	1.1
247.06099	0.9
259.06064	0.5
265.08682	1.2
271.06158	0.8
283.09808	0.6
287.05615	1.6
289.07181	100.0
290.07474	7.2
301.11008	1.0
309.07571	0.5
325.09363	0.7
327.08734	11.2
328.09113	1.3
345.09796	1.1
353.09024	0.8
354.09201	0.9
355.09628	0.9
367.10202	1.0
403.16220	0.6
484.40491	0.5
501.14243	2.7
502.14340	0.5
519.15436	2.8
693.18976	3.7
694.18536	1.3
701.59869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36731	0.5
53.90642	0.5
57.03429	0.8
59.01379	23.7
60.99301	0.7
64.38965	0.5
67.01897	5.5
69.03450	0.9
69.74461	2.8
70.61890	0.5
71.01384	4.5
81.03447	1.3
83.05035	2.0
85.02948	11.8
87.00878	1.6
93.03459	36.0
94.03803	1.4
95.01390	0.6
98.20578	0.7
99.00857	0.7
109.02975	1.7
111.00889	4.1
111.04519	6.5
113.02450	0.9
117.10048	0.7
119.05019	2.2
120.46130	0.6
125.02438	1.2
127.04005	2.5
133.06580	0.6
134.06985	0.5
137.02446	5.0
137.36998	0.6
149.06073	1.3
152.03613	0.7
155.03494	6.8
169.06528	1.3
173.04544	95.2
174.04921	3.1
182.07330	2.3
183.08093	0.9
185.09828	0.7
191.05608	100.0
192.05991	3.3
195.08128	4.5
197.07890	1.3
197.09715	27.4
198.10130	2.1
204.22456	0.6
211.07639	0.9
211.11282	2.8
213.12859	5.1
223.07640	2.1
227.10701	1.5
239.10719	5.8
241.08649	6.0
242.09100	0.7
245.11719	1.0
253.04994	0.8
257.11807	4.5
283.09738	10.2
284.10013	0.8
285.07565	1.2
301.10797	12.6
302.11115	1.2
316.57034	0.5
322.66754	0.6
327.08670	1.8
345.09723	5.0
346.10034	0.8
406.75479	0.5
457.14890	1.2
459.13013	2.6
475.15897	3.8
476.16824	0.8
501.14029	30.2
502.14383	4.4
519.15082	41.2
520.15234	5.9
693.20209	31.8
694.20618	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	693.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97057	1.0
55.01875	1.6
57.03446	9.3
59.01391	7.3
61.98821	2.6
67.81346	1.2
69.03446	1.3
71.01380	8.6
71.51814	1.4
72.99313	2.0
74.85069	1.3
75.00876	2.8
76.68314	1.0
79.88853	1.2
83.01378	3.5
84.02170	1.6
85.02950	100.0
86.03278	1.1
87.00872	3.1
89.02438	3.4
93.03448	8.7
96.96006	6.1
101.02438	1.2
103.00370	2.7
109.02947	1.3
111.00880	5.6
111.04520	2.6
115.49186	1.3
119.05023	13.4
125.02441	3.6
129.01959	10.3
133.01439	3.2
135.04536	6.3
136.04848	2.3
137.02426	3.3
147.03015	10.9
155.03522	1.4
163.04016	18.0
164.04301	3.4
166.56404	1.1
167.03545	1.9
173.00867	2.7
173.04550	19.0
174.04929	2.2
175.05055	1.5
179.03494	5.9
180.03891	2.0
191.01979	65.4
191.05598	56.4
191.07343	1.5
192.02303	1.4
192.05907	3.9
193.06029	1.4
209.03021	83.1
210.03365	1.8
237.09439	1.4
265.08704	1.3
283.09473	1.8
289.07278	2.5
327.08765	6.5
337.09229	3.7
338.09650	1.6
353.08670	7.7
354.09021	4.6
355.06470	30.3
356.06940	1.8
403.16235	3.0
501.13907	2.2
519.14813	1.5
593.08813	1.3
693.17621	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	693.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07843	0.5
53.70502	0.4
57.03456	0.6
58.96931	0.4
59.01379	15.5
63.58064	0.4
67.01891	1.9
67.03594	0.4
68.19363	0.5
68.51350	0.4
69.03477	0.7
69.60283	0.8
69.60692	2.6
69.83802	0.4
70.56001	0.5
71.01397	2.3
81.03471	1.0
83.01394	0.6
83.05042	1.4
85.02946	10.2
87.00870	2.7
88.84569	0.4
93.03455	22.4
94.03803	1.0
95.28976	0.4
96.95979	0.5
98.20654	0.7
99.04511	0.8
108.16287	0.4
109.02943	1.5
111.00876	3.1
111.04517	4.2
119.05032	2.1
119.15021	0.5
125.02510	0.9
127.04060	2.6
137.02432	3.3
145.06573	0.6
147.04448	0.7
149.06075	1.2
155.03516	4.0
163.72993	0.5
165.05557	0.7
169.01343	1.0
171.02962	0.7
173.04546	41.5
174.04907	1.5
182.07350	2.0
185.05974	0.9
191.05611	100.0
192.05956	3.5
195.08163	4.4
195.55438	0.5
196.08833	0.7
197.09721	18.4
198.10155	1.5
211.07619	1.0
211.11232	2.0
212.11908	0.6
213.12883	4.2
223.07646	2.4
227.10747	0.9
232.29704	0.6
237.09268	0.6
239.10707	5.4
240.10983	0.6
241.08713	5.4
242.09058	0.5
257.11932	2.7
283.09741	8.8
284.10294	0.5
285.04092	0.9
285.07449	0.7
289.07135	0.7
301.10803	13.3
302.11206	1.3
327.08713	2.5
328.09338	0.5
336.71689	0.7
345.09698	3.4
457.15286	0.9
459.13046	0.9
475.16135	2.9
494.84366	0.6
501.14011	18.2
502.14377	2.7
519.15094	23.4
520.15466	3.5
633.17560	0.8
693.20209	26.7
694.20551	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	691.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64056	0.8
61.98831	1.9
69.44763	1.0
78.95905	41.8
80.02684	2.3
81.03461	1.9
83.05034	8.8
84.02162	1.2
95.91914	0.8
96.96956	4.8
102.62051	0.8
125.06047	1.3
152.99588	59.6
153.99905	1.1
163.11296	6.9
165.12845	3.5
171.00642	7.0
191.10776	1.7
195.11783	0.8
197.87567	1.0
209.11830	100.0
210.12151	6.5
227.03285	4.8
227.12895	9.2
245.04367	1.5
253.21742	17.9
254.22063	1.6
294.32480	0.8
363.12170	7.3
437.15829	5.9
445.99387	1.2
455.16885	83.5
456.17267	7.7
691.38263	88.9
692.38586	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	691.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.4
57.01557	0.7
57.03423	1.7
58.00584	0.9
59.01381	20.8
61.98828	4.2
66.73561	0.7
67.40437	0.8
69.03423	1.2
71.01380	27.5
71.04996	0.8
71.52816	0.6
71.53217	1.0
72.01699	0.7
72.99274	1.9
73.02950	5.1
76.20006	0.7
78.95878	1.4
81.03419	2.0
83.01402	3.3
83.04991	2.8
85.02950	9.2
85.90331	0.7
87.00871	3.8
88.98815	0.6
89.01934	0.9
89.02439	10.9
91.47550	0.6
93.02964	0.7
93.03461	9.3
95.01356	2.1
97.02930	1.4
99.00841	2.5
101.01821	0.8
101.02439	14.1
109.02943	0.7
109.06574	0.9
111.00852	1.4
111.04517	8.0
113.02440	9.5
119.03462	2.3
119.04961	1.4
125.02480	3.7
127.11256	1.3
129.01923	0.9
137.02420	3.0
143.03406	1.5
150.03059	0.7
155.02409	1.0
155.03490	9.1
161.04532	1.8
163.03993	1.1
169.12334	5.9
171.10281	7.3
173.04539	19.0
179.05600	1.1
183.13879	1.7
185.11812	2.9
191.05624	4.2
195.17508	1.7
197.11806	0.8
199.09680	1.0
201.11256	1.8
204.20293	0.6
207.10168	2.8
209.11824	10.6
210.12021	1.9
211.13411	13.7
212.13745	0.9
225.11301	1.9
227.12840	3.0
228.13005	0.9
235.08150	2.2
235.16997	8.6
239.20210	1.6
253.09189	3.1
275.20151	9.7
276.20633	0.7
293.21225	24.6
294.21469	2.1
305.08868	0.9
311.25900	59.2
312.26181	4.7
323.09930	0.8
337.27469	2.3
377.03799	0.8
392.56610	0.8
397.13495	17.6
398.13669	1.2
401.23270	0.9
415.14536	11.3
499.32596	4.7
517.33801	92.4
518.34155	12.1
619.31244	0.9
637.32251	7.8
638.32617	1.2
655.33624	2.8
659.33026	5.9
673.34546	1.4
691.39124	100.0
692.39612	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	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.3
59.01386	2.4
61.98830	0.3
70.71684	0.7
71.01379	1.7
73.02953	0.6
80.02669	0.8
81.03446	0.9
83.01376	0.4
83.05024	3.8
84.02168	0.8
85.02971	0.4
87.00866	0.4
89.02441	1.4
89.33530	0.2
93.03439	0.2
95.05027	0.5
97.06603	0.2
101.02438	1.7
108.05299	0.2
113.02411	1.0
119.03516	0.4
125.02406	0.4
125.06085	0.5
125.09722	0.9
127.11269	1.0
135.08202	0.7
137.09703	0.3
139.11285	0.3
145.04968	0.2
155.10806	0.3
161.04558	0.8
163.11302	3.0
164.11617	0.3
165.09193	0.2
165.12831	1.8
171.10240	1.0
179.05559	0.2
181.12363	0.4
183.10237	0.4
183.81187	0.2
191.10829	1.0
199.09712	0.4
199.13451	0.3
201.11322	21.7
202.11668	1.1
209.11823	100.0
210.12167	6.1
212.35252	0.2
227.12880	13.4
228.13182	0.9
235.08253	2.7
253.09291	7.6
254.09622	0.3
311.02090	0.3
375.21844	0.7
393.22571	0.3
437.20209	1.3
445.20816	1.9
446.21234	0.5
473.94937	0.2
497.57727	0.3
611.30841	0.3
629.31897	0.4
637.32294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95244	0.3
55.01867	0.7
57.03423	0.4
58.00583	0.8
59.01381	17.1
60.18158	0.3
61.98831	2.2
69.03454	0.6
69.68391	1.6
71.01382	14.1
72.01732	0.4
72.99302	1.0
73.02942	1.8
77.04612	0.2
78.95893	1.1
81.03470	0.6
83.01398	1.4
83.05028	0.4
84.02197	0.4
85.02949	2.7
87.00868	2.8
88.98827	0.3
89.02446	11.5
93.03471	0.8
95.01392	1.3
97.02959	1.6
98.19952	0.4
98.82530	0.3
99.00857	0.5
99.04525	0.4
101.02438	9.6
102.02773	0.4
109.02936	0.4
111.04510	0.8
111.08173	0.5
113.02455	4.9
113.09718	0.3
115.04024	0.3
119.03510	3.5
119.05014	0.7
125.02461	2.9
131.03485	0.5
133.05046	0.6
143.03473	1.7
151.31442	0.3
152.99649	0.3
155.03438	0.5
161.04593	2.1
163.04016	0.4
167.03503	0.4
171.10234	0.6
173.04590	1.8
177.12852	0.3
179.05624	3.0
179.14461	0.5
183.13817	0.5
191.05634	0.5
195.13896	7.0
196.14511	0.7
201.11357	0.8
201.43320	0.3
205.03571	0.3
205.12233	0.6
207.10242	0.4
209.11818	3.4
210.12199	0.8
211.13452	2.7
212.13788	0.7
221.06599	0.7
223.13396	5.2
224.13907	0.3
227.12904	0.7
228.13559	0.8
231.21063	0.3
235.08234	3.4
253.09314	1.4
256.13120	0.9
263.07614	0.6
265.21762	0.5
275.20169	4.0
287.07852	0.3
293.21219	100.0
294.21533	9.5
294.24704	0.6
305.08707	1.1
311.25885	3.1
323.09750	0.5
379.12201	0.4
397.13501	23.3
398.13861	2.5
415.14548	27.9
416.14935	2.6
445.20859	0.3
517.33783	4.9
518.34113	1.0
654.27081	0.4
673.34155	0.4
691.39185	6.4
692.40027	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	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.02161	0.1
57.03441	0.7
58.00591	0.6
59.01380	16.3
60.01717	0.2
61.98832	0.9
68.99817	0.2
69.03453	0.7
71.01382	14.8
71.80189	0.1
72.01730	0.3
72.99316	0.9
73.02950	2.1
75.00861	0.2
81.03455	0.5
83.01393	1.0
83.05045	0.3
85.02946	2.7
87.00877	2.9
89.02443	11.8
91.04015	0.3
91.61024	0.1
93.03454	0.1
93.43487	0.1
95.01382	1.1
95.05030	0.4
97.02950	1.4
97.06615	0.2
99.00891	0.7
99.04544	0.2
101.02444	10.2
102.02766	0.3
109.02945	0.3
109.06608	0.2
111.00886	0.4
111.04491	0.5
111.08150	0.4
113.02449	5.1
115.03993	0.2
119.03501	3.0
121.02919	0.2
124.01653	0.2
125.02446	3.4
131.03500	0.6
133.05063	0.4
133.49019	0.1
139.03999	0.3
141.01956	0.2
143.03505	1.8
149.04558	0.4
149.09834	0.2
152.99631	0.2
157.05104	0.2
159.03036	0.1
161.04552	2.0
167.03558	0.2
167.10770	0.4
171.10265	0.8
172.13034	0.1
177.12854	0.4
177.16568	0.1
179.05611	3.1
179.14357	0.8
181.12245	0.2
183.13887	0.2
185.04514	0.2
185.11827	0.2
195.13898	7.9
196.14442	0.9
205.12248	0.7
205.15942	0.4
207.10219	0.2
209.11862	0.8
210.12135	0.2
211.13425	1.7
212.13673	0.2
217.05222	0.2
217.07196	0.3
221.06642	0.9
223.13387	5.2
224.13751	0.4
225.14896	0.2
228.13701	0.8
229.03955	0.2
231.21088	0.4
235.08229	3.3
249.22424	0.2
253.09349	1.1
256.13092	0.8
263.07767	0.6
265.21725	0.4
275.17337	0.3
275.20151	3.7
276.20242	0.3
277.09335	0.4
286.06921	0.1
287.07745	0.8
293.21216	100.0
294.21555	9.7
305.08942	0.7
323.09879	0.4
324.95624	0.2
358.94669	0.2
379.12463	0.3
385.00815	0.2
397.13486	23.1
398.13846	1.9
415.14560	25.8
416.14920	2.0
461.24130	0.2
643.38245	0.2
654.27582	0.6
691.35803	1.1
692.36371	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.5
59.01385	6.1
61.98827	4.3
69.03475	0.6
69.37350	0.5
71.01382	9.2
71.53049	0.9
71.53437	0.5
73.02939	2.3
78.95902	2.0
80.02684	0.8
81.03444	1.5
83.05037	4.4
84.02166	0.8
85.02944	1.8
87.00874	2.3
89.02437	3.4
95.01402	0.6
95.05042	1.1
97.02970	0.6
97.06599	5.0
101.02441	6.0
109.06603	1.1
113.02441	2.2
119.03490	0.9
119.04970	0.5
125.02428	1.2
125.09698	1.0
133.05075	0.5
135.08154	0.8
145.05074	0.6
151.10110	1.0
151.11273	12.5
152.11633	0.8
152.99606	0.7
161.04541	2.1
163.04062	0.6
163.11293	3.7
163.91455	0.6
165.12816	2.1
169.12340	64.8
170.12674	3.7
171.09007	0.5
171.10281	3.5
181.12326	1.2
183.13821	1.2
185.11813	1.9
191.10812	0.7
195.10245	2.2
201.11299	2.2
207.10309	2.5
209.11818	56.6
210.12193	4.4
211.13402	8.2
212.13741	0.9
213.11298	7.8
225.11282	1.4
227.12901	5.0
228.13144	0.6
235.08208	1.8
253.09286	4.7
266.19174	0.5
293.21112	3.3
397.13339	1.1
401.23178	1.1
415.14468	0.9
431.19302	1.2
449.20251	3.8
461.20306	0.8
561.16394	0.6
619.31573	0.9
637.32300	5.9
638.32672	0.7
641.32025	1.4
655.33215	1.9
659.32831	100.0
660.33130	15.7
673.34027	1.2
691.35468	11.2
692.35699	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97490	3.1
55.51454	2.9
59.01373	11.3
61.98828	35.4
67.44579	2.5
71.01376	25.3
72.99319	3.2
78.95895	9.7
83.05042	3.5
85.02953	6.0
85.33644	3.1
87.00881	5.9
88.98812	2.8
89.02439	8.8
93.03463	5.0
97.02967	4.4
101.02441	8.7
109.06602	8.9
113.02431	4.4
116.92900	6.5
119.05029	50.3
125.02445	7.5
125.09718	2.8
129.96669	3.0
139.75273	2.8
141.62059	3.3
152.99562	6.2
163.04004	47.7
163.11267	9.3
165.12852	3.5
169.12373	3.8
171.10271	18.6
181.12328	4.1
183.13905	6.0
185.11853	10.5
189.85556	3.1
197.22380	3.0
199.13385	13.0
201.11310	9.2
207.10255	30.9
209.11838	46.9
210.12100	3.2
211.13393	61.1
225.11337	14.4
227.12881	10.5
228.60342	3.3
229.14418	10.6
253.09361	15.8
373.23801	5.0
383.22336	6.3
401.23175	14.2
419.24316	4.8
443.19113	3.8
447.22372	5.9
461.20026	4.6
609.32428	6.7
619.30981	18.3
620.31189	5.3
637.32312	100.0
638.32684	22.8
655.33435	43.6
656.33942	9.4
659.32703	10.7
673.34247	6.0
691.31079	26.5
692.31836	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	691.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16998	2.0
59.01382	15.6
60.60546	2.2
61.98832	16.9
65.32620	1.9
68.28278	1.7
71.01380	74.5
72.18561	2.0
72.99308	1.8
73.02949	4.0
73.58318	1.8
77.00707	1.7
78.95914	4.9
81.03421	2.9
83.01393	2.2
83.04990	2.6
85.02919	5.9
85.32937	1.7
87.00875	4.9
88.98826	1.8
89.02459	9.5
97.02952	3.2
101.02421	8.3
109.06609	10.9
113.02439	6.7
116.92854	3.1
125.02474	3.2
137.02348	2.4
161.04565	4.7
163.11266	6.1
171.10271	43.8
172.10530	2.5
179.05498	2.3
181.12360	2.4
183.13901	9.4
185.11815	14.7
199.09706	6.7
201.11281	6.8
207.10234	20.1
209.11813	34.0
210.12074	2.7
211.13399	100.0
212.13673	6.9
225.11339	17.7
227.12851	9.5
235.08202	5.4
235.17015	4.8
242.93217	2.0
243.12227	1.9
253.09305	16.5
275.20181	9.2
293.21271	22.5
311.25967	4.0
359.26953	2.2
373.23755	4.6
383.22321	5.8
397.13437	14.8
401.23373	11.2
415.14618	10.4
419.24371	4.9
447.22220	4.3
461.20151	6.6
517.33746	4.0
609.32953	4.0
619.31476	10.1
637.32275	58.3
638.32312	14.9
649.08392	2.2
655.33368	25.6
656.33893	5.4
673.34424	3.0
691.31464	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	691.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46087	0.7
57.03440	1.0
59.01356	1.7
67.01891	4.3
69.03445	1.3
71.01366	2.5
71.51242	0.8
83.05019	1.4
85.02959	8.6
87.00851	1.9
93.03461	27.6
96.96018	1.4
98.20725	1.3
99.04528	0.8
109.02968	1.4
111.04519	7.7
117.03487	0.8
119.05032	37.1
120.05360	1.5
127.04010	2.9
133.02960	1.5
134.03735	2.6
135.04529	62.7
136.04861	3.5
137.02432	6.7
155.03474	7.1
161.02409	4.0
163.04007	63.1
164.04344	3.4
173.04547	98.3
174.04921	4.8
179.03494	61.1
180.03825	2.6
191.05614	76.9
192.05971	2.9
230.07538	0.8
331.72809	0.8
337.09283	44.4
338.09634	5.5
353.08762	100.0
354.09134	10.5
363.14499	0.7
483.44492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	10.6
78.95903	11.0
83.05036	2.8
85.50449	1.6
116.92947	2.7
122.03017	1.6
124.34422	1.7
125.03754	1.9
152.99588	3.2
153.31778	1.6
153.32994	1.8
163.11241	1.7
183.09927	1.8
196.89465	2.3
207.14484	2.2
209.11819	100.0
210.12196	6.9
227.12880	13.9
253.09219	6.4
445.20621	7.7
691.30945	18.1
692.31335	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	691.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01656	0.3
52.75121	0.3
57.03448	0.9
59.01384	1.7
60.99328	0.4
62.15642	0.3
67.01890	3.7
67.66698	0.3
69.03447	0.8
71.01373	2.8
71.09698	0.6
74.21027	0.3
81.03444	0.7
83.05036	0.6
85.02948	6.0
87.00883	1.0
93.03455	23.0
94.03784	0.6
99.04514	0.8
105.85324	0.4
107.05032	0.4
109.02945	1.4
111.00889	0.9
111.04516	4.6
113.02425	0.5
115.50552	0.4
117.03452	0.5
119.05029	9.9
127.04012	1.3
129.01967	0.7
133.02937	1.0
134.03714	1.4
135.04524	33.5
136.04875	1.3
137.02441	5.7
145.02905	0.6
147.03004	0.4
151.04059	0.3
155.03479	4.6
161.02440	2.2
163.04008	11.2
164.04399	0.5
173.04539	100.0
174.04895	3.4
179.03491	33.8
180.03915	1.7
191.05608	30.5
192.05922	0.7
212.81406	0.4
252.77310	0.4
255.10100	0.4
289.07376	0.5
337.09265	19.8
338.09595	1.5
343.08151	0.5
353.08746	44.7
354.09167	3.6
444.79037	0.4
517.13391	0.6
667.14490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	13.8
58.80489	0.6
59.01371	1.7
69.03446	0.8
71.01382	1.5
81.03442	2.0
83.01392	4.5
85.02942	1.6
85.46606	0.6
87.04511	8.9
89.03935	1.1
93.03450	2.3
95.01396	0.6
95.05049	1.0
96.96016	1.8
97.02958	2.6
104.12691	0.6
107.05059	1.4
108.02178	1.0
109.02952	14.4
111.00870	1.4
113.02440	1.4
117.03506	1.1
119.05065	1.0
121.02928	3.1
122.03748	0.8
123.04509	10.2
125.02448	100.0
126.02785	3.5
128.01468	0.5
130.09837	0.5
131.03505	13.2
131.05009	1.3
133.02950	4.2
135.04514	3.8
137.02451	15.5
139.04013	2.3
143.05046	0.6
145.02971	6.0
146.03717	1.3
147.04506	1.3
149.02449	3.7
149.06126	1.2
150.03226	1.2
151.03996	8.8
157.06514	1.1
159.04529	7.4
160.05038	0.7
161.02441	24.9
161.06088	6.5
162.02994	2.4
163.00395	2.2
163.04001	4.2
164.01170	4.0
165.01958	3.4
165.26135	0.6
165.27728	0.7
167.03500	2.1
173.04591	1.5
173.05994	1.0
174.03270	1.3
175.03987	11.5
175.07629	0.9
177.01924	16.0
177.05522	1.1
179.03511	4.8
183.04539	1.7
184.05368	0.6
185.06119	3.1
187.03986	6.0
188.04724	1.9
189.01942	0.7
189.05577	1.4
191.03503	0.9
191.05617	1.1
193.05049	0.9
197.06081	0.9
199.04041	2.0
199.07648	0.8
200.04654	0.8
201.01904	0.6
201.05565	3.8
202.06367	0.9
203.03543	1.5
203.07135	9.1
204.07599	0.8
205.01479	1.3
205.05009	4.0
209.06166	1.1
211.04082	2.2
212.04781	0.7
213.01889	0.9
213.05504	1.1
215.03513	1.3
217.05037	2.8
217.08519	0.7
219.02988	2.0
221.08159	0.9
225.05563	1.4
227.03488	2.6
227.07175	3.6
229.05070	4.0
237.05640	1.6
241.05156	0.7
243.02946	4.7
243.06538	1.1
245.04538	7.5
245.08165	10.3
253.04990	3.9
255.02974	6.2
256.03671	4.5
257.04526	1.8
269.04596	2.6
271.06094	17.3
272.06360	1.4
273.04169	2.1
279.06635	0.9
281.04587	4.2
283.02548	1.8
284.03134	0.8
285.04025	4.7
287.05588	9.7
289.07175	49.7
290.07495	3.3
297.04080	1.9
297.07483	0.7
299.05588	2.3
305.06848	0.8
321.07687	2.2
329.06699	0.8
339.08813	2.7
363.08710	1.6
381.09637	2.9
389.06613	5.5
390.07227	0.7
397.80948	0.6
403.10477	3.4
407.07693	72.3
408.08112	8.4
409.09064	0.7
425.08759	9.9
426.09186	1.5
433.09259	10.4
434.10104	1.0
449.08731	0.7
451.10251	11.1
452.10834	2.7
506.11533	0.7
521.10181	3.0
539.11768	8.8
540.12299	1.2
541.11804	0.8
559.12451	9.2
560.12811	1.0
565.13818	1.6
577.13416	9.5
578.13965	1.6
691.16443	4.0
692.27173	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	689.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12552	0.8
59.01380	34.1
61.98829	10.1
62.85881	0.9
71.01369	4.1
71.52771	1.3
78.95902	100.0
80.02682	1.2
83.05026	5.7
96.96974	8.3
123.08180	1.3
134.98470	2.2
148.60065	1.0
150.98091	1.0
152.99582	56.2
153.99954	1.1
155.12010	1.0
163.11290	4.7
165.12810	3.4
171.00644	1.1
171.10239	3.5
181.12358	1.1
195.13893	2.6
197.11874	1.2
201.11324	1.6
207.10207	2.1
209.11813	82.2
210.12202	5.6
211.13387	3.8
223.13393	2.7
225.11249	2.5
227.12888	6.9
275.20145	2.2
293.21252	14.0
294.21515	1.7
304.22009	1.0
315.19626	8.5
363.12067	14.7
364.12369	2.1
373.20166	6.7
379.15347	1.2
381.13147	3.9
395.14755	13.6
413.15808	2.6
429.20563	8.3
447.21844	1.9
657.34064	54.0
658.34259	10.3
689.36633	35.9
690.36847	7.7
697.74695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22776	0.3
52.53250	0.3
59.01372	3.5
61.98830	2.6
65.55357	0.3
69.03452	0.5
71.01392	3.3
73.02947	0.8
78.95879	0.9
80.02671	0.8
81.03454	0.9
83.05027	3.0
84.02172	0.7
85.02949	0.9
87.00871	0.6
89.02457	1.9
95.05013	0.4
101.02469	1.8
113.02430	1.8
116.76504	0.4
119.03486	0.5
121.33516	0.4
125.02403	0.5
139.11302	0.4
161.04578	1.2
163.11282	3.8
165.12842	2.3
167.14449	0.5
171.10245	1.5
181.12326	0.8
183.12410	0.6
183.13895	6.5
184.14201	0.5
191.10765	1.1
193.12370	1.9
207.10208	0.4
209.11818	85.2
210.12132	5.1
211.13383	100.0
212.13748	5.8
225.11285	0.4
227.10744	0.8
227.12894	13.3
228.13184	1.0
235.08134	3.5
236.58069	0.4
249.15137	0.5
253.09286	7.8
254.09534	0.4
285.03998	0.4
403.25101	0.5
429.21268	0.5
445.20804	2.5
446.20743	0.4
447.22314	7.6
448.22601	0.8
621.32428	0.9
639.33527	1.2
657.34766	0.7
689.33258	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	690.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
61.98830	15.5
69.94029	1.2
69.94434	1.1
71.01382	0.7
73.02943	1.3
76.89749	0.5
78.95898	7.1
88.98754	0.5
89.58160	0.5
89.74995	0.5
92.41813	0.5
96.96008	0.5
96.96968	0.9
125.09838	0.4
143.19266	0.5
152.99574	4.7
158.65782	0.5
170.49529	0.6
195.13878	1.1
209.11844	6.0
227.12845	0.8
242.96429	0.5
277.21701	1.0
295.22781	2.7
322.87405	0.5
343.25101	0.5
395.15262	0.7
431.21957	1.0
451.14102	0.8
452.14871	2.0
480.14169	0.7
481.14841	4.2
482.15573	0.7
493.15280	0.8
494.15594	1.1
495.16785	10.1
496.17053	1.9
507.16833	0.6
508.17166	0.6
509.18384	0.7
522.14575	0.7
526.15546	0.8
533.18323	0.7
535.16241	1.1
536.16931	2.5
537.16644	0.7
540.16742	2.4
541.16486	0.6
551.19397	29.8
552.19757	7.1
553.17950	0.9
554.18280	1.7
555.19128	1.2
568.15961	0.6
572.15625	2.1
573.15167	0.6
586.17291	1.9
595.18439	2.5
596.09515	0.5
596.18823	1.2
627.20966	100.0
628.21234	26.6
630.21436	2.3
659.35657	4.5
691.38556	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	689.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23370	0.8
57.03455	1.4
59.01383	9.5
61.98837	5.2
65.05180	0.9
69.03453	1.1
71.01380	11.4
71.05012	3.8
73.02942	2.5
80.02686	1.0
81.03455	2.4
83.01371	1.3
83.05035	6.2
84.02147	1.4
85.02950	2.9
87.00865	3.0
89.02454	5.1
93.03453	1.4
95.05042	1.9
96.96016	0.9
97.02937	3.5
97.06596	2.7
98.51292	0.8
99.00880	13.0
101.02466	6.0
107.63007	1.0
108.77410	1.0
109.02924	1.5
109.06612	2.8
113.02441	4.1
119.03510	1.3
119.04981	0.9
123.08171	1.8
125.02463	4.8
125.09734	6.6
127.11244	1.4
135.04459	1.4
135.08150	1.7
137.02440	3.1
139.04015	1.0
145.05219	0.9
151.00308	2.1
151.29300	0.8
153.12859	0.9
159.02797	0.9
161.04549	2.4
163.11290	15.0
164.01157	1.1
165.01904	2.6
165.12825	3.1
167.03415	1.4
169.01402	0.9
171.10268	46.8
172.10599	1.9
173.04636	1.2
177.01874	1.6
181.12341	14.4
185.11830	1.3
189.09169	1.0
191.10822	1.7
197.11818	2.8
199.13400	10.3
201.11349	5.3
207.10249	27.0
208.10609	2.1
209.11818	100.0
210.12115	6.1
211.13394	1.4
225.11313	47.6
226.11646	3.6
227.12917	14.2
235.08212	3.7
243.12375	15.9
253.09274	8.9
271.06046	2.7
272.06345	1.6
273.06732	1.0
291.19659	7.8
298.97156	0.9
333.85803	0.9
397.13550	2.8
407.19312	2.5
417.71606	0.9
443.19370	1.6
445.20590	2.2
461.20361	5.3
479.21396	7.6
558.68256	1.1
566.25751	1.0
630.54645	0.9
653.31683	1.5
671.32977	4.5
672.32452	1.4
689.33826	95.2
690.34271	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	689.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05899	0.7
59.01374	5.9
61.98826	4.2
71.01382	48.2
71.09058	1.1
72.01752	0.7
73.02935	1.8
78.95474	1.3
78.95898	12.1
80.02683	1.9
81.03439	1.6
83.01414	0.8
83.05036	6.2
84.02159	1.3
85.02931	1.8
87.00862	2.1
89.02441	2.2
95.04999	2.3
96.96962	1.4
97.02949	2.6
99.00883	1.8
101.02441	5.1
109.06598	6.1
111.49907	0.7
113.02444	2.4
119.03441	0.8
125.02443	0.8
125.06050	1.0
125.09705	2.2
127.11275	1.8
129.93112	0.7
135.08147	2.9
136.05325	0.9
139.07724	1.0
145.05029	0.7
152.99582	8.3
157.66167	0.7
161.04457	1.2
161.09673	0.9
163.11302	9.1
165.12802	2.9
167.82007	0.7
171.10274	26.0
172.10727	0.9
178.04553	0.7
181.12303	4.2
185.11816	1.5
189.09210	1.3
191.10817	1.0
193.83258	0.8
197.11713	1.1
199.09804	0.9
201.11314	12.0
207.10257	20.2
208.10544	1.6
209.11818	100.0
210.12163	5.7
211.13385	2.3
223.13527	1.1
225.11314	25.6
226.11749	1.7
227.12862	11.2
228.13139	0.9
235.08173	3.0
242.66243	0.8
243.12527	1.7
251.12996	1.0
253.09244	8.0
263.12897	1.1
266.83887	0.8
293.21179	2.1
311.22116	0.9
321.95200	0.7
363.12051	1.5
395.14749	1.7
399.21851	1.8
417.22638	1.2
429.20825	1.1
443.19162	1.4
461.20313	5.8
635.31830	1.2
653.32019	2.4
657.34369	6.5
658.34558	1.6
671.21521	0.8
671.32886	2.9
672.33496	1.1
689.34784	9.3
690.34863	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17575	0.6
52.08945	0.5
55.01881	0.7
57.03444	1.3
59.01386	4.4
61.98831	1.4
69.03461	4.0
71.01384	4.3
71.05026	2.0
73.02945	0.8
75.43514	0.5
80.02697	1.1
81.03462	0.6
83.01395	1.0
83.05029	3.8
84.02162	1.0
84.05363	0.5
85.02952	1.1
87.00877	1.2
89.02446	1.9
95.04958	0.6
97.06570	0.9
100.98875	0.6
101.02461	4.8
109.06601	0.6
111.00896	0.7
113.02442	1.5
113.06024	0.5
123.04512	0.6
123.08174	1.0
125.02455	1.9
125.06090	0.9
125.09710	2.0
132.13847	0.6
135.08133	0.6
137.02448	1.2
151.11273	2.1
153.12859	1.4
161.04544	1.3
161.09688	4.4
163.11337	3.9
165.01884	1.0
165.12901	1.8
169.01494	0.6
169.12256	0.7
171.10320	1.0
179.10757	6.7
181.12344	1.4
191.10754	0.8
197.11827	56.4
198.12193	2.9
207.10289	0.8
209.11810	46.2
210.12141	3.3
211.13396	0.7
223.09801	0.7
225.11363	1.6
227.12907	3.7
241.10796	3.1
253.09279	2.6
399.23898	1.1
459.18680	1.1
477.19690	2.3
508.58582	0.7
669.30103	0.8
687.32251	100.0
688.32593	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	687.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76291	0.6
57.03427	1.2
59.01387	3.2
61.98833	4.9
69.03456	3.8
69.49061	4.3
70.38367	0.5
71.01393	3.0
72.99300	0.6
73.02938	0.7
76.86873	0.5
79.01905	0.9
81.03448	1.7
83.01376	2.4
85.02932	1.7
87.00875	0.9
88.01566	0.6
89.02462	1.0
93.03461	1.6
95.01414	3.1
95.05031	0.8
97.02940	3.7
97.06577	0.6
101.02422	1.8
107.01366	2.3
109.02936	2.3
113.02422	1.5
119.04996	0.8
120.47938	0.6
120.99640	1.1
121.02926	1.0
123.00887	7.2
123.04541	1.6
124.01668	20.6
125.02450	66.3
125.09738	0.7
126.02818	1.4
137.02444	5.3
139.03992	1.5
149.02420	1.1
149.98367	1.3
149.99583	25.2
151.00371	4.5
151.04036	1.1
163.03967	0.7
164.01128	1.3
165.01900	3.0
166.01007	0.6
167.03503	2.2
168.00644	51.0
169.01414	32.7
169.03549	0.8
169.12349	1.7
170.01770	1.5
171.10248	4.9
173.04539	1.4
179.03482	0.8
179.10840	0.8
181.05016	0.8
197.11832	1.9
209.11819	9.3
215.06906	0.7
215.74689	0.6
223.09724	2.1
225.11354	1.3
227.12900	2.0
241.05112	1.0
253.09152	0.7
289.07257	1.3
313.05612	1.1
329.13892	1.4
333.04681	0.9
373.25949	2.9
471.50986	0.6
525.25000	0.9
643.18298	1.7
669.31543	1.2
687.32214	100.0
688.32568	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	687.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.1
59.01370	1.9
61.98808	1.6
69.03448	12.1
71.01378	1.4
71.05025	2.2
71.52357	0.8
73.02945	0.9
81.03455	0.7
83.01359	0.8
83.05013	2.0
85.02944	2.4
85.50987	0.8
87.00919	1.1
93.03466	3.9
103.09579	0.8
107.01403	0.9
111.04503	5.0
111.08170	3.0
113.06071	1.5
121.02957	1.0
123.04529	5.8
125.02461	1.4
137.02454	2.1
139.11288	18.0
151.00366	3.1
155.03464	4.5
156.52045	0.8
167.03477	14.7
171.29796	0.7
173.04527	7.4
178.99843	2.0
181.04985	0.9
183.10246	100.0
184.10599	5.3
191.03555	3.6
191.05453	3.5
209.04561	1.5
218.00696	0.7
227.03694	0.9
243.02992	2.6
255.02980	8.7
271.02460	15.8
299.01935	1.0
300.02722	35.6
301.03482	5.7
329.08789	4.8
357.15512	85.1
358.15851	8.1
463.08813	1.3
625.13983	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
60.01709	0.2
61.98830	100.0
62.98525	0.3
66.72324	0.2
68.21603	0.2
73.31424	0.2
78.95914	0.5
80.78622	0.2
93.04406	0.2
99.96271	0.2
152.99559	0.3
182.99228	0.2
209.11880	0.8
230.24458	0.3
270.67047	0.2
292.88406	0.2
327.43784	0.3
397.13882	0.3
434.71982	0.3
617.65729	0.2
655.33160	0.3
681.12085	0.2
687.34637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54367	0.3
51.69010	0.2
56.92902	0.2
57.03454	1.2
59.01379	1.6
59.84159	0.2
60.99309	0.5
61.98844	0.3
62.76299	0.2
65.00311	0.2
67.01890	3.2
69.03445	0.5
69.45772	1.7
71.01385	2.4
73.02972	0.2
78.60030	0.3
81.03447	0.8
83.01381	0.4
83.05038	0.9
85.02933	1.5
87.00888	0.5
89.03932	0.3
90.74855	0.2
93.03456	20.4
94.03794	0.5
95.01383	0.3
98.19875	0.3
99.04509	0.3
107.93916	0.2
109.02950	1.0
111.00894	1.0
111.04513	3.4
113.02470	0.3
116.21310	0.2
117.03449	1.1
119.05009	0.3
120.99657	0.4
121.02949	0.6
125.02444	2.3
127.04052	0.3
128.26373	0.2
134.03737	19.1
135.04100	0.6
137.02435	3.8
147.00899	0.4
149.06128	1.4
151.00348	0.8
152.01108	0.4
153.01891	0.7
155.03505	3.4
155.19492	0.2
163.04005	0.3
165.01930	0.8
171.02988	0.2
173.04539	100.0
174.04865	3.8
175.00403	1.2
178.99841	0.7
191.03824	0.4
191.05612	4.8
193.01411	5.8
193.05048	13.2
194.05421	0.8
215.03491	0.3
301.03479	0.6
319.04446	0.6
367.10306	28.5
368.10727	2.5
394.93570	0.2
487.40652	0.3
527.55042	0.3
715.51416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.3
61.98829	100.0
62.93268	0.5
69.37846	0.5
71.01402	0.8
85.02966	1.0
89.02453	0.7
93.03496	0.8
100.87740	0.5
105.21699	0.5
109.02973	0.8
112.92854	0.6
118.71920	0.6
121.02937	0.6
123.00848	0.7
124.01681	1.3
125.02462	2.0
135.04634	0.6
149.99635	1.5
151.00404	1.2
153.00650	0.6
165.01978	0.7
168.00613	3.0
169.01340	0.7
178.99889	1.1
199.04024	0.8
209.11780	0.7
227.03532	1.1
242.02228	1.8
243.02983	11.4
255.02971	3.2
255.54614	0.6
257.04562	2.4
257.07166	0.5
270.01840	2.2
271.02478	13.5
272.02954	1.3
275.76157	0.7
285.04068	6.3
286.04803	2.3
299.01965	17.3
300.02582	4.7
313.03577	1.2
314.04309	34.4
315.04993	10.8
353.09061	0.7
461.07556	0.6
582.15570	0.8
623.16144	59.5
624.16351	9.3
642.99042	0.7
650.97565	0.6
687.21075	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	685.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93348	0.5
59.01376	2.8
63.02391	1.0
70.07088	1.3
70.07474	1.2
71.01360	1.0
81.71037	0.6
85.02955	1.4
85.96984	0.8
87.00866	5.6
88.62145	0.7
91.05539	20.3
92.05846	0.7
113.02447	1.8
115.47775	0.6
117.07104	6.5
118.07426	0.7
121.69860	0.6
133.02991	3.4
133.06595	11.2
135.04500	1.1
149.02429	1.5
151.00357	2.5
156.28398	0.6
161.06082	18.4
163.04012	26.1
164.04369	1.4
175.03989	1.5
179.07146	1.8
199.04088	1.4
209.11798	1.2
213.05496	1.0
223.06111	100.0
224.06479	6.1
243.03059	0.7
243.23737	0.6
285.04034	69.2
286.04367	6.4
297.03854	0.7
461.07230	45.5
462.07718	5.1
637.60455	0.7
710.74359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48225	0.8
55.01885	0.8
57.03446	1.4
59.01381	41.9
61.98830	2.0
63.21051	0.7
69.03447	1.8
71.01384	8.8
73.02962	2.8
83.01389	1.3
83.05016	1.5
85.02946	4.7
87.00884	3.1
88.98816	1.4
89.02443	4.6
95.01391	1.2
95.11520	0.9
97.02960	0.8
101.02423	7.7
108.61192	0.9
109.06586	1.9
111.08150	1.6
113.02454	5.8
125.02454	1.7
127.11305	1.0
135.08170	1.0
137.09763	1.1
145.05074	1.7
161.04532	2.5
171.10268	49.2
172.10612	1.8
179.05600	2.2
195.13965	1.8
203.14389	1.2
211.13423	1.5
227.87839	0.9
235.08249	7.8
239.16449	2.1
253.09280	6.0
255.23271	2.3
256.13464	1.0
265.18069	1.4
275.16833	0.9
275.20093	3.1
277.21695	2.9
293.21213	22.6
294.21487	0.9
315.26947	2.3
325.25299	4.5
341.24823	3.1
343.26340	4.1
351.23422	1.7
359.25793	4.8
361.27484	1.4
369.24371	6.2
370.24655	1.2
385.23138	1.0
387.25412	28.3
388.25821	2.5
405.26483	20.5
406.26706	2.3
443.60132	0.9
479.29391	1.0
482.41501	0.9
490.86316	0.8
595.34546	1.2
605.33105	1.3
623.34332	100.0
624.34656	18.8
645.21674	1.0
690.47156	0.9
703.71191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
57.03448	42.0
58.00587	0.9
58.03791	0.5
58.36795	0.5
59.01376	12.9
61.98809	1.2
71.01010	0.8
71.01382	11.1
71.54114	0.5
72.99315	1.1
73.02939	2.2
75.00867	2.2
83.00928	0.7
83.01390	8.3
85.02946	6.0
87.00842	1.6
89.02441	5.9
93.03435	1.0
95.01349	0.7
99.00884	0.7
101.01804	0.6
101.02436	8.7
101.59125	0.6
111.00839	0.8
113.02443	3.2
115.17955	0.5
119.03458	1.5
119.04977	0.6
125.02434	1.1
127.00381	10.8
129.01935	1.0
131.03494	0.8
137.02335	0.7
138.09741	0.5
145.01442	8.6
157.12306	1.0
163.04034	1.0
173.04501	0.8
185.11766	0.8
211.39418	0.5
215.12889	2.1
256.12473	0.5
259.97015	0.6
299.46619	0.5
329.23260	1.3
343.24597	0.8
345.66846	0.7
355.24747	2.2
357.26257	2.5
373.26019	5.4
375.27460	8.9
519.31879	3.2
535.31256	14.7
536.31738	3.1
537.32733	54.1
538.33105	7.3
640.24213	0.6
683.34833	100.0
684.35339	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	683.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01949	3.9
57.03522	4.0
58.00640	0.8
59.01126	2.4
59.01456	17.0
61.98895	1.0
71.01053	1.3
71.01475	14.4
71.53898	1.0
72.99372	1.1
73.03052	2.8
75.00974	6.6
83.01049	0.6
83.01485	1.9
83.63400	0.7
85.03060	8.0
87.00993	2.2
87.94568	0.6
88.98882	0.8
89.02561	6.5
90.94617	0.6
93.03542	1.3
94.33456	0.6
95.01495	1.0
99.00971	1.2
101.02564	10.4
111.01003	0.8
113.02460	3.8
119.03645	2.2
119.05120	1.0
124.01756	0.6
125.02438	3.5
125.09859	2.1
129.02092	2.1
137.02579	1.9
137.09840	1.0
147.02997	3.2
149.04735	0.6
155.10956	0.9
163.04158	1.7
165.04242	0.9
166.04752	0.7
168.00656	0.8
171.10269	4.6
173.04637	1.4
175.02528	0.6
177.02060	0.8
183.13979	0.7
191.02060	1.4
191.05775	1.1
299.09357	1.2
327.21677	0.8
338.56421	0.6
353.15662	0.6
355.24835	6.5
371.24564	1.3
373.25900	16.3
374.26431	2.1
394.76505	0.6
458.76617	0.6
507.27979	1.4
517.30469	3.4
535.31213	87.7
536.31555	11.5
537.32965	2.9
551.30536	4.1
579.70013	0.7
683.34937	100.0
684.35260	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.8
60.99300	0.8
61.98829	1.6
67.01891	4.5
69.03453	1.1
69.44400	4.8
70.38299	0.7
71.01375	3.7
77.87747	0.7
81.03437	3.9
83.01402	2.5
85.02948	5.7
87.00874	2.4
93.03460	23.6
95.01379	0.8
95.05018	5.7
96.96038	0.8
97.02953	1.5
99.04499	1.6
107.05022	1.2
109.02962	1.6
111.00896	1.2
111.04520	5.4
113.06057	0.8
117.03500	0.8
119.05024	0.8
121.02962	1.8
123.04526	8.7
125.02443	14.8
127.04030	2.0
133.02969	1.7
134.03760	2.8
135.04523	57.8
136.04845	2.1
137.02446	6.5
137.06084	8.6
139.04010	3.0
150.03191	0.7
155.03481	6.0
161.02435	2.7
163.04030	1.9
165.05544	2.1
167.03493	30.7
168.03912	0.9
169.01442	1.7
173.04544	95.6
174.04874	3.9
177.01918	2.3
179.03494	66.9
180.03845	3.6
181.04988	1.3
191.05606	37.9
192.05865	1.3
193.05043	2.2
193.43802	0.7
197.04462	1.0
209.04544	71.6
210.04848	3.7
221.04556	2.2
239.05582	13.8
239.07825	1.2
243.02783	0.8
293.12454	1.2
305.06500	1.2
329.08765	30.4
329.13785	3.3
330.08994	2.1
353.08752	100.0
354.09164	9.3
355.08438	0.8
359.15048	1.0
435.59396	0.7
505.19547	0.7
615.51599	0.9
683.17780	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	681.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03448	48.4
58.00570	1.0
58.78776	0.8
59.01122	1.4
59.01376	20.3
61.98814	2.3
69.03442	1.2
71.01024	1.1
71.01385	14.1
71.53819	1.5
72.99296	1.6
73.02934	3.7
75.00834	1.0
81.03442	1.0
83.01376	7.6
85.02957	5.5
87.00854	2.0
89.02440	7.4
93.03427	4.0
99.00852	1.9
101.02456	14.7
109.02898	1.9
111.04539	1.3
113.02468	6.1
113.41149	0.9
116.92799	1.4
119.03462	2.3
119.04986	3.6
122.03712	1.6
125.02411	3.5
126.99514	1.3
127.00380	15.8
129.01945	1.4
133.90929	0.9
137.02444	6.0
139.04016	1.3
145.01399	8.0
149.02443	1.3
149.04552	1.2
151.03958	1.3
155.03508	1.0
155.10806	0.9
163.03944	3.0
164.01042	0.9
165.01942	7.3
167.03564	1.4
171.10219	2.7
173.04468	2.4
175.18730	0.8
179.03519	1.3
179.05396	1.1
191.05606	1.4
196.90549	0.9
203.07101	1.1
205.05101	1.2
216.25046	0.9
255.80667	0.9
285.20724	5.4
292.95099	1.0
301.20245	1.0
325.24210	1.0
355.25122	4.7
361.18539	0.9
371.24435	1.6
373.25916	8.8
463.25284	2.6
505.26324	5.5
517.29962	2.8
519.31262	1.4
533.29333	3.7
535.31201	67.1
536.31659	7.8
549.32806	2.2
577.32623	1.0
637.30811	2.4
643.27515	15.4
644.27789	3.8
645.28210	4.6
681.33350	100.0
682.33698	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	681.3336
Annotation	Pseudostellarin B
Peak:m/z	Relative Intensity
55.01886	1.4
57.03450	40.7
59.01377	12.7
61.98829	1.2
63.51463	0.6
69.29633	1.3
69.30044	3.6
71.01380	9.0
72.20904	0.6
72.99323	0.9
73.02963	3.1
75.00857	2.2
83.01385	6.5
85.02958	5.0
87.00887	1.5
89.02457	4.3
93.03458	1.0
95.01436	0.6
99.00877	0.8
101.02438	10.5
113.02469	3.0
118.95134	0.6
119.03461	1.9
119.04996	1.2
123.08142	0.9
125.02409	1.1
125.09716	1.1
127.00375	12.4
127.11388	0.7
129.01970	0.8
134.78365	0.6
137.02417	1.8
145.01427	8.6
155.10840	0.8
163.03932	1.4
171.10287	4.8
173.04509	1.2
187.85411	0.7
191.02011	1.0
235.80708	0.6
247.23987	0.7
353.23242	2.1
355.24954	3.3
371.24326	4.3
372.24835	0.8
373.25925	7.6
374.26370	1.1
476.95898	0.7
485.24924	0.7
505.26175	0.8
517.29968	2.6
533.29639	16.5
533.98071	0.6
534.30096	2.2
535.31213	61.0
536.31543	9.0
562.82910	0.8
681.33386	100.0
682.33691	14.8
688.98737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.03444	1.4
59.01378	7.0
65.00295	0.5
69.03453	1.3
70.29877	0.5
71.01382	12.4
71.52089	0.7
73.02944	5.2
81.03471	3.2
83.01380	3.0
85.02952	6.4
87.00864	1.5
89.02461	2.7
93.03464	2.0
95.01402	0.7
99.00866	1.4
101.01795	1.1
101.02443	11.9
105.03509	0.6
111.00842	0.6
113.02453	15.3
119.05047	1.1
123.04526	26.0
124.04901	0.6
125.02444	7.1
133.02957	2.5
134.85695	0.5
137.02399	0.7
139.04044	0.7
143.03554	0.7
149.02409	0.8
151.00400	1.5
159.03029	2.4
159.04356	0.5
161.04567	7.6
163.03992	1.2
167.03497	100.0
168.03819	5.1
168.30759	0.6
173.04556	7.3
177.01950	1.6
191.03659	0.9
191.05595	1.4
209.04558	1.1
212.29131	0.5
237.09796	68.1
238.10133	2.5
329.08786	14.6
330.08994	1.5
337.09250	1.9
351.06924	0.6
351.08121	0.6
351.12961	10.2
351.16632	1.4
682.18262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.5
58.79657	1.4
59.01385	8.4
68.68810	1.1
68.69701	1.5
69.85535	1.3
71.01383	5.9
71.52840	1.4
71.53200	2.1
72.99311	2.5
73.02969	2.2
75.96091	1.3
85.02954	5.5
87.00901	6.7
89.02438	5.2
93.03468	3.5
95.11552	1.3
99.00881	3.9
111.00877	2.7
113.02446	3.3
115.00379	4.9
119.04993	2.0
122.06100	5.6
124.07674	3.2
124.47461	1.4
125.02448	4.2
129.01924	2.4
131.03488	1.2
132.04565	1.5
137.02451	2.6
138.01978	2.9
139.02315	2.0
143.61455	1.3
144.04535	3.4
146.06075	5.7
149.02492	1.9
150.05551	2.9
158.06041	2.1
159.06966	1.6
162.05637	1.4
163.04039	2.7
172.03999	3.1
173.04655	4.3
174.05612	6.6
175.02501	3.6
176.07146	1.6
177.01776	1.5
179.05817	2.2
191.05592	3.2
193.73157	1.5
202.05022	3.8
203.05890	4.2
204.06682	5.7
207.05383	3.2
241.09790	3.1
253.09779	2.1
253.13440	3.7
255.11394	4.2
267.07797	2.9
267.11096	1.7
268.08481	1.7
269.09390	2.5
269.12793	3.9
271.14520	2.2
281.09396	3.8
282.10245	1.9
283.10892	5.7
283.14227	1.6
289.07266	4.0
291.08051	1.6
293.09323	2.0
295.10764	5.3
296.11386	2.8
297.12418	20.9
298.12775	3.0
299.14084	9.0
300.02728	4.6
301.03403	2.1
309.12427	7.0
323.10339	2.8
325.11902	21.2
326.11996	2.7
327.13419	3.7
329.15283	2.0
335.10266	2.0
339.13443	10.1
343.12933	8.6
351.09708	2.1
353.11359	20.5
354.12003	2.3
355.12988	11.9
365.11255	1.9
369.10898	6.8
371.12424	15.4
372.12662	2.2
373.14032	2.2
397.10269	6.8
399.11987	2.8
429.12967	3.2
431.13873	3.2
463.08844	4.4
491.16595	3.9
517.14819	10.3
518.15106	2.1
529.14465	8.0
549.17249	57.9
550.17389	7.8
605.19843	1.6
637.14032	2.7
649.18842	100.0
650.19128	17.2
681.21179	21.9
682.21790	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	680.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16924	0.1
55.83537	0.2
59.01352	0.2
61.98830	100.0
69.42303	1.0
93.03468	0.1
108.47463	0.1
125.02467	0.4
137.02412	0.1
140.16757	0.1
170.06752	0.1
171.10289	0.4
179.03606	0.1
209.11835	0.3
210.12268	0.3
211.13467	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17046	0.2
51.29292	0.2
59.01382	2.2
60.19348	0.2
61.98812	0.3
63.02384	0.3
63.32706	0.2
65.00327	1.2
65.27776	0.2
66.99389	0.2
69.03437	0.3
71.01382	1.3
71.53014	0.3
73.02952	0.2
82.09262	0.2
83.01392	0.9
85.02949	0.6
87.00866	0.4
89.02433	0.9
93.03429	0.2
97.02960	0.3
101.02451	1.2
105.03442	0.3
107.01389	2.1
113.02457	0.5
119.03465	0.2
119.05014	0.3
121.02965	0.5
123.04551	0.2
123.42657	0.2
125.02431	0.7
132.02211	0.2
133.02953	12.1
134.03313	0.4
137.02460	0.4
143.05025	0.2
149.02454	2.0
151.00363	5.0
161.04591	0.2
163.04036	0.3
165.03938	0.2
167.10687	0.2
169.06482	0.2
171.04510	0.2
175.04001	2.8
185.06061	0.4
191.05641	0.2
195.13916	0.7
197.06096	0.4
198.03220	0.5
199.04005	1.8
200.04274	0.2
201.01917	0.8
205.12314	0.6
210.05626	0.2
213.05643	0.5
215.03543	0.4
217.05092	1.7
223.03889	0.3
223.13373	4.8
229.05051	0.2
233.08163	1.9
235.08072	0.4
239.03366	0.2
240.04132	0.3
241.04906	0.9
242.02156	0.2
243.02864	0.6
243.05025	0.2
257.04620	0.5
267.02884	0.3
285.04028	100.0
286.01114	0.4
286.04367	6.7
348.50952	0.2
395.13474	1.5
397.13489	3.8
415.14465	1.7
535.31384	0.2
610.54401	0.2
621.27484	1.6
622.28174	0.3
681.37427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25058	0.6
56.74762	0.6
57.03448	54.6
58.00615	0.7
58.03783	1.0
59.01378	12.0
61.98854	0.8
66.72720	0.6
69.29654	5.5
70.46043	0.6
71.01379	9.2
71.05047	0.9
72.99310	0.9
73.02974	2.1
83.01387	9.9
85.02954	3.9
87.00897	1.3
87.04531	0.7
89.02426	4.4
90.08816	0.6
93.03457	1.5
94.19811	0.6
98.20609	1.1
99.00907	0.9
101.02451	11.0
113.02483	2.6
119.03542	1.9
119.05080	1.0
123.04626	0.7
125.02489	1.5
125.09750	2.7
127.00378	16.8
137.02458	1.2
141.09433	0.7
145.01442	12.8
145.02518	1.1
163.04013	1.0
171.10271	6.2
173.04565	1.6
191.05640	1.1
195.38910	0.6
215.12895	0.7
228.13467	0.8
281.17404	0.6
323.22281	0.8
327.21823	0.8
341.23361	2.0
353.23224	7.2
354.23880	0.8
355.25018	0.7
371.24344	13.7
371.28992	0.9
372.24908	1.3
416.17303	0.6
473.78125	0.6
505.30389	0.7
515.28455	2.8
533.29639	84.1
534.22839	1.2
534.30084	11.1
619.30042	0.8
643.27960	0.9
643.53790	0.8
661.30359	0.8
679.31781	100.0
680.32153	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	679.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.5
61.57159	3.4
61.98829	96.1
65.16525	3.2
67.53443	3.1
68.07903	2.9
69.03468	6.1
70.67524	7.1
70.67883	3.7
71.01373	8.1
83.05050	6.3
85.02970	6.3
89.02479	2.9
93.03461	71.9
94.03800	4.4
98.19954	3.0
105.42221	2.9
111.04525	7.4
111.08133	3.5
118.66135	2.7
119.05021	100.0
120.05407	5.0
125.02422	3.8
134.42159	4.1
137.01489	4.0
137.02448	43.6
145.02943	5.0
149.04608	7.4
155.03528	14.5
163.04008	87.2
164.04382	5.1
165.12843	38.0
171.10297	3.1
173.04543	84.1
183.13904	61.3
183.15413	5.4
191.05617	47.6
209.11850	7.3
210.12210	4.8
227.12863	20.2
337.09335	25.5
371.24432	11.1
383.17111	38.8
384.17740	4.0
401.18268	20.3
453.87885	3.3
457.72986	3.3
533.22375	15.7
534.22955	5.1
547.21863	54.1
548.21802	8.0
563.30652	3.7
586.93134	3.2
679.25574	68.2
680.26349	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	679.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76771	0.4
57.03457	0.8
59.01377	4.5
65.00340	0.4
66.16166	0.4
69.37845	0.9
69.38258	2.1
69.95615	0.3
72.99304	0.5
73.02966	0.4
75.00873	1.2
83.01385	0.9
85.02949	2.8
87.00897	0.8
89.02457	0.9
89.94720	0.4
90.78787	0.4
93.03442	0.9
95.01379	0.6
98.20591	0.9
99.00909	0.7
101.02432	1.1
107.01415	1.5
109.01427	0.4
109.86449	0.4
111.04461	0.4
111.55336	0.4
113.02454	3.0
114.34765	0.4
115.00344	0.5
125.02408	0.6
132.02202	1.3
135.00909	1.3
151.00328	1.9
161.13353	0.6
163.00380	0.9
164.01122	0.6
178.99879	0.8
181.24713	0.4
183.04503	1.0
187.03941	0.4
187.11282	0.5
191.01990	0.4
191.05769	0.4
195.51154	0.4
199.04128	0.8
205.12297	0.7
211.04036	1.4
227.03494	35.6
228.03886	2.3
229.05045	1.7
239.03456	1.1
246.00835	0.4
249.06230	1.3
255.02986	70.2
256.03479	7.5
257.04370	1.1
267.07214	3.0
283.02475	0.9
284.03256	100.0
285.03854	18.5
286.04465	0.7
312.39182	0.4
429.08401	0.6
455.18945	0.4
471.09589	0.4
499.18265	2.4
593.15167	5.0
596.64642	0.5
635.16144	71.4
636.16473	11.5
679.24359	8.9
679.34479	0.5
680.24841	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79058	3.0
59.32271	3.1
61.98833	8.4
66.14642	3.6
69.10418	3.3
69.67946	3.3
71.41383	4.5
78.08005	3.4
78.95905	100.0
82.07169	3.9
116.92814	3.8
152.99590	54.9
191.58160	3.4
195.13908	9.1
201.11360	28.7
209.11826	60.9
211.13400	55.9
212.13762	5.3
227.13063	5.9
236.40170	4.0
277.21631	5.7
285.57867	3.8
295.22772	28.7
363.11990	6.7
381.13226	11.8
446.61157	3.7
447.22083	7.3
563.71228	4.3
659.35736	25.3
660.35858	5.3
677.36456	79.9
678.36584	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	677.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
57.03446	0.9
58.00597	1.7
59.01379	33.3
60.01720	0.2
61.98825	0.8
65.90378	0.2
67.01879	0.3
68.99818	0.4
69.03452	1.6
69.57405	0.8
69.57812	0.5
71.01381	34.1
71.84693	0.2
72.99300	2.6
73.02946	5.7
75.00879	0.8
78.95921	0.5
81.03455	1.5
83.01389	3.7
85.02948	7.5
86.00108	0.4
87.00341	0.4
87.00874	8.2
89.02441	30.4
91.04009	0.7
93.03476	0.3
95.01385	2.3
95.89689	0.3
97.02951	6.2
98.20626	0.5
99.00893	1.8
99.04520	0.5
101.02442	28.9
102.02789	0.3
103.00394	0.4
103.04007	0.5
109.02938	0.4
111.00855	0.6
111.04515	1.0
112.01701	0.3
113.02445	14.5
114.02759	0.3
115.04024	0.4
117.31699	0.3
119.03493	9.8
121.02980	0.6
123.00858	0.4
123.04523	0.9
123.08138	0.2
124.01640	0.3
125.02444	11.3
127.03971	0.5
131.03494	1.5
133.05063	1.3
139.04008	1.0
141.01901	0.6
143.02426	0.4
143.03497	5.6
149.02449	0.3
149.04553	0.8
157.05063	0.4
161.04552	7.1
167.03526	1.3
169.05069	0.5
171.02991	0.4
179.05608	7.1
185.04541	0.5
199.06097	0.6
203.05614	0.5
217.07184	1.1
219.05061	0.5
221.06662	1.8
227.35353	0.2
232.80406	0.2
235.08206	14.7
236.08565	0.5
245.06621	0.7
253.09265	3.0
257.70612	0.2
261.22220	0.4
263.07483	1.4
277.09262	1.2
279.23273	100.0
280.23624	8.7
287.07687	3.7
293.24857	0.7
305.08789	4.3
309.88882	0.2
315.19611	0.9
319.98883	0.4
323.09732	1.6
361.11374	0.4
379.12299	0.9
397.13480	89.3
398.13828	6.3
415.14548	35.2
416.14963	2.5
449.99695	0.3
677.37274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12638	0.5
55.01871	0.6
57.03445	5.5
58.60566	0.5
59.01372	5.0
68.99806	1.0
69.56994	3.0
71.01383	6.5
72.99310	1.7
75.00880	1.3
83.01398	1.5
83.97728	0.5
84.02117	0.9
85.02953	47.5
86.03278	0.8
87.00870	1.3
87.41035	0.4
89.02435	3.0
93.03455	4.1
94.03806	1.1
96.96030	1.1
101.02452	0.7
103.00381	1.1
111.00876	3.0
111.04515	0.7
115.00377	0.9
119.05030	5.1
123.04540	0.5
125.02451	1.9
129.01944	4.0
129.72816	0.5
133.01442	4.1
135.04501	3.0
137.02417	1.2
143.05045	1.1
144.05331	0.6
147.03015	3.7
163.04024	6.5
164.04436	0.6
169.01492	0.9
173.00858	1.2
173.04562	6.4
174.04881	1.7
175.05040	0.7
179.03522	2.0
183.93445	0.5
191.01979	21.9
191.05594	15.4
192.05966	4.6
193.06160	2.1
209.03035	100.0
210.03403	2.2
265.08777	0.9
303.05573	0.5
323.13431	1.5
327.08792	5.7
328.08975	6.4
329.09320	5.2
337.09384	2.7
353.08807	1.8
371.06140	9.4
372.06619	0.8
383.45786	0.6
430.66953	0.5
502.14474	1.1
503.14880	2.6
677.20001	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	675.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.9
57.70220	0.4
58.00576	0.6
59.01390	4.3
59.63691	0.5
61.98835	3.1
69.03452	0.6
69.37663	2.4
69.38068	0.9
71.01381	3.6
73.02929	1.4
80.02711	0.7
81.03457	1.2
83.01367	0.7
83.05035	3.8
84.29109	0.4
85.02961	1.4
87.00883	0.7
87.23835	0.4
88.70328	0.5
89.02445	2.3
93.03432	0.5
95.05064	0.6
101.02472	3.3
113.02440	1.9
116.92889	0.5
119.03468	0.9
125.02434	1.5
125.09703	1.4
127.11327	2.4
130.82950	0.5
135.08171	0.7
137.02501	0.4
145.04990	0.5
149.02470	0.5
151.00430	0.6
155.10799	1.0
161.04532	2.2
163.11285	2.7
165.09264	0.8
165.12843	1.7
167.14389	0.6
168.98126	0.5
169.12387	1.0
171.10271	2.1
178.99828	0.9
179.05672	0.6
181.12410	0.6
183.13896	6.6
185.11847	2.3
187.04086	0.6
191.05646	0.8
191.10825	0.8
193.01422	0.8
193.12320	2.2
197.11806	3.5
199.09782	1.0
199.13417	1.0
201.11324	33.9
202.11638	1.5
209.11829	84.1
210.12158	8.3
211.13405	100.0
212.13759	7.3
215.03468	0.7
215.75356	0.4
225.11314	0.8
227.12903	13.0
228.13202	1.4
235.08266	5.4
253.09293	12.3
254.09616	1.2
257.04745	0.8
257.72284	0.5
283.02545	0.8
301.03577	4.1
301.76566	0.5
377.23203	1.0
395.24097	1.1
403.24588	0.6
419.19366	0.6
437.20096	2.0
445.20813	2.3
447.22321	10.3
448.22845	1.7
455.35690	0.6
463.21567	0.5
613.33014	1.0
621.32281	0.9
631.33655	1.6
639.33698	1.1
657.34741	0.8
684.02563	0.5
702.94897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03456	1.5
58.00587	2.5
59.01379	48.1
60.01709	0.6
61.02982	0.3
61.98819	1.0
64.76948	0.2
67.01892	0.2
68.99821	0.4
69.03455	2.9
71.01381	43.5
72.01716	0.5
72.99302	2.8
73.02943	7.8
75.00869	1.1
78.95901	1.4
81.03448	2.2
83.01382	4.6
83.05016	0.6
84.02167	0.2
85.02950	9.1
85.18900	0.2
86.00092	0.6
87.00873	9.9
87.04523	0.5
89.02442	36.1
90.02778	0.7
91.04007	1.0
93.03465	0.6
95.01389	2.6
95.05045	0.4
97.02947	6.2
98.03284	0.2
99.00872	2.6
99.04539	0.5
101.02440	33.4
102.02750	0.5
103.00383	0.3
103.04018	0.5
109.02956	0.7
111.00881	0.8
111.04524	1.4
112.01685	0.3
113.02448	16.9
114.02814	0.3
115.03997	1.2
119.03497	11.0
121.02954	0.7
123.00919	0.5
123.04536	0.3
124.01667	0.6
125.02445	14.5
126.02827	0.3
127.04005	0.6
129.01907	0.3
130.55293	0.2
131.03502	2.1
133.05087	1.2
139.03990	0.9
141.01935	0.6
141.05554	0.3
142.02635	0.3
143.03493	6.9
149.02455	0.2
149.04529	1.2
151.04007	0.3
152.99576	0.7
155.03487	0.3
157.04991	0.3
161.04552	7.9
162.05016	0.3
167.03537	1.0
169.05074	0.5
171.02969	0.4
179.05606	7.6
185.04494	0.8
188.70161	0.2
199.06139	0.5
203.05632	0.6
209.11829	0.3
211.13541	0.3
217.07228	0.9
219.05121	0.3
221.06621	2.4
233.22690	0.4
235.08220	15.7
236.08559	0.8
245.06599	0.8
246.07137	0.2
253.09261	4.4
259.08380	0.3
263.07742	1.9
275.20078	0.4
277.09341	0.8
277.21704	100.0
278.22058	8.5
278.24365	0.2
287.07690	4.3
291.23276	0.6
295.22897	0.4
305.08755	5.1
323.09827	2.3
357.33282	0.2
361.11469	0.5
365.31998	0.2
379.12549	1.4
397.13480	95.9
398.13843	7.0
398.19077	0.4
415.14548	38.8
416.14923	3.3
504.46359	0.3
675.35352	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31540	0.2
57.88734	0.2
59.01379	0.4
63.02388	0.4
65.00311	0.7
69.22187	1.8
71.01378	0.3
83.01383	0.8
85.02944	0.2
88.98792	0.3
93.03484	0.2
101.02436	0.2
104.19352	0.2
105.03498	0.3
107.01390	2.4
113.02462	0.5
121.02943	0.7
122.61869	0.2
132.02104	0.2
133.02957	11.3
134.03281	0.4
149.02441	1.9
151.00368	5.1
157.99649	0.3
165.12836	3.8
169.06590	0.3
171.04550	0.3
173.13251	0.2
175.04022	3.1
183.13907	9.6
184.14273	0.5
185.06000	0.3
197.06041	0.3
197.15421	0.2
198.03098	0.4
199.03992	2.3
201.01912	0.8
209.11838	0.5
211.03995	0.3
212.04669	0.2
213.05473	0.5
215.03522	0.5
217.05066	1.8
219.70416	0.2
223.03954	0.3
227.12877	18.9
228.13188	1.3
229.04955	0.2
241.05031	1.0
243.02962	0.6
251.12889	0.3
257.04483	0.5
267.02878	0.3
285.04034	100.0
286.04385	7.9
389.18188	7.1
390.18591	0.6
473.09790	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83237	4.3
59.01367	13.8
61.98823	13.5
63.56358	4.0
71.01390	9.8
71.16010	7.7
83.05038	7.6
86.82596	4.6
87.00897	5.0
89.02442	4.8
93.42816	4.4
101.02479	9.1
113.02507	4.5
119.15917	4.9
125.02445	8.4
135.21349	4.3
144.50842	4.2
163.11276	6.0
171.10191	8.1
183.13899	33.3
185.11858	23.6
197.11829	83.1
199.13365	6.1
209.11829	100.0
210.12085	21.1
211.13458	36.7
212.13788	10.6
227.12944	19.8
235.08369	4.9
253.09218	7.0
296.81241	5.9
338.48352	4.7
357.69916	5.4
371.51917	4.9
408.54315	4.4
433.20578	8.2
593.16833	4.4
621.32861	32.2
631.33435	11.3
639.33636	23.3
643.33185	5.5
657.35016	22.5
675.31769	52.2
676.32837	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	675.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03442	1.1
58.00591	2.4
59.01382	51.8
60.01722	0.5
64.65800	0.3
65.89774	0.2
68.99829	0.6
69.03460	2.5
70.70523	0.6
71.01383	39.6
72.01723	0.9
72.99302	2.5
73.02942	6.4
75.00873	0.9
81.03469	1.8
83.01381	4.6
83.05013	0.4
85.02950	9.1
86.00087	0.7
87.00877	9.3
89.02448	35.9
90.02766	0.5
93.03423	0.3
95.01389	2.6
95.05010	0.3
97.02953	6.8
99.00889	1.9
99.04535	0.6
101.02447	30.5
102.02794	0.6
103.00361	0.6
109.02980	0.6
111.00885	0.8
111.04523	0.9
113.02450	15.6
115.04012	0.9
119.03508	11.5
121.02959	0.9
123.00883	0.4
123.04606	0.4
124.01690	0.3
125.02453	13.9
127.04004	0.6
129.01965	0.4
129.33797	0.3
131.03494	1.5
133.05046	1.2
137.02467	0.4
139.04004	1.1
141.01952	0.8
143.03502	6.7
149.04584	0.9
152.99672	0.5
161.04553	8.2
167.03532	0.7
169.05141	0.4
171.02968	0.4
179.05611	7.5
185.04538	1.1
199.06195	0.8
203.05609	0.5
210.12193	0.3
217.07170	1.5
221.06607	2.6
235.08220	16.2
236.08545	0.8
239.44119	0.3
241.06960	0.4
243.54050	0.4
245.06651	0.7
253.09259	3.6
259.20505	0.6
263.07681	1.7
275.20139	0.3
277.09302	0.8
277.21716	97.4
278.22061	8.8
287.07721	3.9
291.23389	0.5
299.03079	0.4
305.08801	4.5
323.09799	1.6
361.11420	0.7
379.12384	1.3
397.13498	100.0
398.13834	8.7
415.14563	38.7
415.20404	0.5
416.14944	3.1
566.65009	0.3
675.35028	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
59.01373	1.4
60.99288	0.5
67.01897	4.1
68.31067	0.3
69.03457	0.9
69.42059	2.1
69.42463	0.5
71.01380	2.1
73.02986	0.3
81.03458	1.0
83.05042	0.9
85.02954	2.1
87.00896	0.7
90.60053	0.4
93.03458	26.6
94.03757	0.7
96.99316	0.5
98.20632	0.5
109.02969	0.7
109.27744	0.3
111.00871	0.7
111.04519	5.0
113.02414	0.5
119.05025	17.3
127.03990	0.7
129.01959	0.4
131.04996	0.8
133.03026	0.4
137.02434	4.4
143.05031	2.2
145.02895	0.6
155.03506	4.9
163.04004	13.8
164.04352	0.6
173.04539	100.0
174.04858	3.0
191.05609	16.2
211.07671	0.8
211.09428	0.4
221.09756	0.4
237.09216	2.5
238.09467	0.5
239.10747	0.7
265.08655	2.6
283.09689	3.5
309.07666	0.7
327.08713	33.6
328.08987	3.4
337.09280	16.3
338.09756	1.1
457.14859	0.5
501.13959	13.8
502.14310	1.4
675.19135	6.5
676.19781	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.5
57.94599	0.4
59.01370	1.6
64.38508	0.4
67.01884	1.6
69.03457	0.5
71.01379	1.8
81.03462	0.5
83.05010	0.7
85.02953	9.0
87.00887	2.5
93.03458	17.9
93.27849	0.5
94.03802	1.0
96.96001	3.4
96.99326	1.2
99.04489	0.6
108.41824	0.4
109.02926	1.0
111.00880	0.5
111.04530	3.2
115.00355	0.5
119.04163	0.6
119.05025	13.5
120.05284	0.7
127.04049	2.6
131.05029	1.1
133.02968	0.9
137.02478	2.2
137.19698	0.4
143.05063	3.5
155.03540	2.2
163.04012	9.4
171.03029	0.8
171.04520	0.9
173.04544	28.6
174.04915	0.6
191.05608	100.0
192.05946	3.7
192.84972	0.4
211.07654	2.6
221.09799	0.5
223.07716	0.9
229.03679	0.5
235.07690	0.7
237.09235	3.2
239.10689	0.6
258.75244	0.4
265.08676	6.2
266.09094	0.6
283.09695	3.2
309.07642	1.6
327.08725	53.6
328.09064	5.0
337.09286	1.9
338.09818	0.4
501.14020	13.9
502.14413	2.0
539.57452	0.5
566.70178	0.5
675.19250	11.1
676.19849	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	674.9928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	56.4
59.97838	0.3
60.01720	0.4
61.03332	0.4
61.98824	2.1
71.52165	0.6
90.97147	1.5
118.96619	0.7
126.00310	0.3
130.40042	0.4
132.98224	1.7
136.03392	0.4
157.03561	0.4
160.97694	0.4
174.99240	25.8
175.99522	0.6
192.95889	2.1
201.02519	4.0
202.02539	0.5
217.00279	100.0
218.00626	3.3
359.01428	11.2
360.01572	1.2
374.99188	67.9
375.99457	3.1
507.47537	0.4
517.00287	3.2
520.46118	0.4
532.98157	17.7
533.98267	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	673.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
57.03442	1.1
58.00597	1.0
59.01378	9.9
61.04236	0.5
61.98827	5.9
63.26216	0.5
66.53328	0.6
69.03448	1.3
69.73837	2.3
71.01382	49.5
71.27635	0.5
72.01687	0.6
73.02946	1.8
73.33124	0.6
78.95908	6.0
80.02697	1.0
81.03450	1.7
83.01402	1.0
83.05033	4.7
84.02138	1.1
85.02941	3.0
87.00877	2.4
89.02442	3.5
95.01354	1.0
95.05011	1.4
96.96960	1.2
97.02955	3.6
97.06586	0.6
99.00890	2.9
101.02453	6.8
107.05014	0.6
109.06590	7.5
110.03709	0.9
110.06946	0.7
111.00896	0.8
113.02463	3.9
121.06612	0.6
125.09719	2.9
127.11289	1.0
135.08179	1.6
136.05284	0.7
139.07628	0.9
142.02736	1.3
143.17505	0.6
145.05087	1.3
147.11789	0.6
152.99562	3.4
161.04547	2.6
161.09714	0.9
163.11288	7.3
165.12828	2.0
167.10777	1.0
167.14339	0.7
171.10254	7.2
171.13937	0.6
181.12378	4.6
183.13885	10.6
183.15410	0.9
185.11815	2.4
189.09106	0.6
191.34303	0.6
193.12276	1.8
197.11787	0.8
199.09622	0.8
199.13391	14.9
200.13666	0.9
201.11317	4.9
207.10258	27.6
208.10539	1.4
209.11830	46.1
210.12102	3.3
211.13387	100.0
212.13722	4.6
215.12920	0.8
225.11310	18.6
226.11777	1.1
227.12880	38.6
228.13153	2.1
229.14508	0.9
235.08229	5.5
235.13478	1.0
243.12323	1.8
247.13440	1.0
251.12903	0.7
253.09297	12.0
295.22690	0.7
357.24341	0.7
373.23734	1.6
375.25470	1.1
379.12271	0.7
383.22025	2.8
391.24719	1.2
401.23248	6.8
419.24640	3.7
437.25302	0.7
443.19318	1.4
445.20621	0.8
447.22348	2.0
461.20392	4.7
463.21741	5.9
464.22360	0.9
479.21616	0.7
637.32465	6.5
638.32520	1.1
655.33044	10.6
656.33704	2.9
673.34192	15.3
674.34644	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	673.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.2
59.01381	2.0
59.24553	0.1
65.68015	0.2
71.01382	1.3
71.05033	0.2
73.02935	0.3
80.02672	1.0
81.03465	1.1
82.83284	0.1
83.01383	0.4
83.05027	4.0
84.02175	0.7
85.02930	0.3
87.00871	0.4
89.02447	1.2
95.01411	0.2
95.05021	0.5
97.06590	0.2
101.02437	1.4
109.06570	0.3
111.08164	0.2
113.02467	0.7
116.10846	0.1
119.03465	0.3
125.06084	0.5
125.09750	0.3
135.08136	0.4
145.05089	0.2
147.11810	0.2
161.04565	0.5
163.11287	3.6
164.24600	0.1
165.12863	2.1
167.63266	0.1
171.10275	1.7
171.80266	0.1
179.05597	0.2
181.12311	0.4
181.67380	0.2
191.10814	0.7
209.11818	100.0
210.12158	5.9
221.11890	0.2
227.12875	13.7
228.13193	0.6
235.08231	1.5
247.13387	0.9
253.09274	5.3
254.09587	0.3
265.14355	0.3
432.48090	0.2
445.20993	1.0
463.21600	0.2
602.35553	0.1
611.30432	0.1
637.32037	0.9
655.33112	0.3
655.69220	0.1
673.34406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81534	0.1
59.01381	1.5
67.76936	0.1
71.01389	1.3
73.02936	0.3
79.43760	0.2
80.02671	0.7
81.03445	0.8
82.64822	0.1
83.01395	0.3
83.05026	3.8
84.02170	0.8
85.02946	0.4
87.00890	0.2
87.73598	0.1
89.02435	0.7
93.03416	0.2
95.05031	0.6
97.02937	0.2
97.06601	0.2
101.02435	1.4
109.06593	0.2
113.02467	0.7
119.03497	0.2
123.08167	0.1
125.06108	0.5
125.09727	0.2
127.11324	0.2
135.08168	0.6
143.03476	0.2
147.11772	0.2
161.04520	0.7
163.11296	3.1
165.12825	2.0
171.10252	1.8
179.05542	0.2
181.12360	0.5
191.10811	0.6
199.13403	0.3
209.11816	100.0
210.12158	5.7
221.11880	0.2
227.12872	12.9
228.13185	0.9
235.08203	1.6
247.13455	0.8
253.09274	5.1
254.09586	0.3
265.14532	0.3
401.23096	0.2
407.18967	0.2
419.23953	0.2
445.20755	0.9
463.21732	0.2
611.31110	0.1
619.31494	0.2
629.32611	0.2
637.32361	0.4
655.32855	0.3
673.34406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51376	0.5
54.46955	0.5
55.01875	0.8
57.03454	0.7
59.01385	5.4
61.98833	7.9
71.01376	7.2
72.99286	0.6
73.02935	1.5
73.98272	0.5
78.95898	0.8
83.01371	0.6
83.05034	1.5
85.02973	1.4
87.00890	0.9
89.02455	2.3
97.02914	0.7
98.19955	1.5
99.00889	0.8
101.02435	4.1
107.61259	0.6
109.06602	1.5
111.08157	1.0
111.71465	0.5
113.02429	1.6
119.03528	0.6
122.76873	0.5
125.02452	1.1
137.09741	0.7
161.04547	1.3
163.11272	1.6
165.01906	0.6
165.12834	9.0
171.10284	2.4
183.13890	100.0
184.14232	5.2
184.74747	0.6
199.09682	1.4
199.13371	1.3
200.13622	0.5
201.11290	1.2
207.10246	2.4
209.11815	19.6
210.12192	1.5
211.13377	12.4
225.11189	3.0
227.12871	10.9
229.51442	0.5
235.08240	2.3
253.09256	4.5
383.22464	0.8
401.23087	1.1
419.24384	0.6
445.20844	1.8
463.21912	4.6
463.93219	0.5
511.29141	0.9
593.30487	0.6
611.30518	0.7
629.35266	5.1
637.32416	2.0
655.33502	5.2
656.34637	0.7
673.34326	73.2
674.23267	0.7
674.34784	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	669.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03814	0.4
53.37119	0.4
55.01861	0.4
57.03443	1.5
58.00602	1.0
59.01377	13.7
60.39159	0.4
69.03481	0.4
70.71976	1.0
71.01386	9.3
72.99308	0.6
73.02953	1.6
83.01391	1.5
85.02937	3.4
87.00862	0.8
87.04495	0.7
89.02449	4.9
95.01394	0.8
101.02435	5.3
101.41650	0.4
111.00888	0.5
113.02450	2.2
119.03523	0.9
125.02473	0.6
157.12311	0.9
169.12416	0.6
170.97153	0.4
185.11848	1.5
211.13380	0.6
215.12889	1.0
258.11536	0.4
329.23190	2.8
357.26443	7.3
358.02347	0.4
358.26981	0.5
373.25876	1.2
375.27518	21.0
376.27948	2.3
377.08047	0.5
415.15045	0.5
417.28485	0.4
519.31647	3.0
520.32501	0.6
537.32770	100.0
538.33124	12.6
669.37012	57.9
670.37274	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	672.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	4.4
66.03796	0.7
67.29376	0.7
75.17236	0.8
90.73669	0.8
97.02068	0.7
97.37909	0.8
107.01389	0.8
108.02221	0.7
151.00356	4.9
151.10439	0.7
163.00400	0.8
169.01337	0.8
178.99850	2.4
192.00691	0.7
197.05711	0.8
202.47121	0.7
211.04219	0.7
216.04128	1.1
219.52972	0.7
226.02611	1.6
227.03462	2.4
243.02942	7.6
244.03619	1.1
254.02171	1.7
255.02975	21.6
256.03290	2.0
271.02472	52.4
272.03036	4.2
273.03809	0.7
284.03146	1.5
299.01825	1.3
300.02747	100.0
301.03247	13.8
302.03723	0.8
609.14594	97.3
610.14893	13.4
696.16888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88924	0.3
55.01878	0.7
57.03461	0.9
58.00607	0.7
59.01378	12.6
61.98839	0.4
64.37592	0.3
69.03465	0.4
69.20602	3.1
71.01382	9.1
72.99329	0.7
73.02943	2.0
83.01392	1.1
85.02955	3.1
87.00889	1.0
88.29179	0.3
89.02443	4.9
89.02937	0.4
93.02539	0.4
93.03487	0.6
95.01420	1.1
99.00909	0.8
101.02439	5.3
103.47940	0.3
111.00902	0.5
113.02441	2.6
119.03516	1.1
123.08172	0.5
125.02444	0.7
139.11259	0.5
157.12369	1.1
163.03928	0.3
169.12361	0.9
173.04518	0.4
185.11867	1.2
191.05585	0.4
203.03238	0.3
211.13394	0.5
215.12900	1.0
248.59882	0.3
262.41077	0.3
327.21988	0.3
329.23331	2.1
339.25360	0.3
355.24741	0.6
357.26456	6.9
358.26819	0.6
373.25873	1.3
374.26755	0.3
375.27490	20.9
376.27707	1.8
397.13376	0.5
519.31726	3.2
520.31818	0.5
535.30988	0.5
537.32758	100.0
538.33130	12.7
585.51709	0.3
669.36975	55.5
670.37329	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	669.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80157	0.2
57.03451	0.4
58.00590	0.3
59.01379	3.4
61.98831	0.4
69.03467	1.1
71.01373	3.1
71.05027	0.5
73.02950	0.6
76.63100	0.2
80.02677	1.2
81.03013	0.2
81.03420	1.0
83.01392	0.5
83.05026	4.3
84.02172	0.6
85.02957	0.8
87.00878	0.5
89.02442	1.7
93.03474	0.2
95.01391	0.2
95.05029	0.6
99.00899	0.2
101.02435	2.3
109.06598	0.5
113.02438	1.3
119.03497	0.6
125.02455	0.5
125.06091	0.5
125.09680	0.4
135.08145	0.6
143.03537	0.2
149.09659	0.4
161.04515	1.0
163.11287	2.9
165.12859	2.0
167.10727	1.3
171.10245	1.6
177.12787	0.3
179.05566	0.4
179.10785	0.7
179.14397	1.8
181.12341	0.6
191.10796	0.9
195.13901	5.1
205.12302	5.0
206.12737	0.4
209.11813	100.0
210.12146	5.1
223.13379	51.8
224.13713	2.9
227.12880	14.7
228.13211	0.7
235.08208	2.3
253.09283	8.3
254.09500	0.5
261.14954	1.3
310.99954	0.2
409.80295	0.2
415.24686	0.6
441.21219	0.7
445.20795	1.8
446.20935	0.3
459.22293	3.7
460.22696	0.3
623.34418	0.2
633.32928	0.7
651.34210	0.9
652.34265	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03437	2.0
58.00570	0.4
59.01382	12.5
68.84357	0.5
71.01388	8.9
72.01705	0.5
72.62833	0.4
72.99268	0.6
73.02949	3.0
80.97440	0.5
83.01372	1.2
85.02969	4.2
87.00865	1.0
89.02444	4.5
93.03444	0.9
95.01357	1.1
98.20740	1.2
99.00865	1.0
100.69112	0.5
101.02448	6.3
113.02470	3.5
119.03499	1.3
119.05024	1.3
123.08114	0.7
125.09698	1.4
126.24728	0.5
129.01945	0.7
149.04535	2.1
158.16010	0.5
158.88925	0.5
163.04015	1.4
169.74359	0.5
171.10277	4.4
173.04582	0.6
176.17941	0.5
191.01964	0.8
209.08179	1.0
257.17728	0.5
262.84213	0.5
288.50388	0.5
294.57932	0.5
327.21902	0.6
350.91199	0.5
355.24805	4.6
358.70499	0.5
373.25931	13.2
373.30658	0.7
374.26053	1.5
384.63345	0.4
391.20294	0.7
392.20627	0.7
487.98218	0.5
517.30255	3.6
535.31232	100.0
536.31580	12.3
594.70905	0.5
667.35480	43.1
668.35803	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	669.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.3
59.01374	1.3
61.98825	0.6
69.50082	0.8
69.50513	0.9
71.01401	0.7
81.03452	0.3
83.01391	0.5
85.02977	0.4
89.02460	0.5
93.03458	0.6
95.01417	0.3
101.02434	0.7
109.02946	1.2
113.02448	0.4
121.02982	0.4
123.00907	0.3
123.04493	0.3
124.01675	0.5
125.02439	3.6
127.00326	0.3
127.05582	0.2
137.02461	0.9
138.03246	0.3
139.04013	0.5
143.04948	0.3
145.01404	0.4
145.06610	0.3
145.08162	0.2
149.02441	0.5
155.05020	1.6
159.04474	0.3
161.02428	0.3
163.00381	0.2
163.04016	0.5
165.01932	1.3
166.02724	3.4
167.03488	1.6
171.04524	0.4
173.02396	0.5
173.04572	0.4
173.06052	0.3
175.04028	1.1
177.01918	1.6
181.06657	0.2
183.04475	0.6
185.02441	0.6
199.04010	14.7
200.04366	0.7
201.01985	0.6
201.05602	0.3
211.03903	0.3
213.05412	0.3
215.03557	0.4
215.07259	0.4
216.04243	0.8
217.04948	0.4
223.04021	0.3
225.01962	0.3
225.05553	3.9
227.03481	1.9
241.04977	0.3
242.02267	0.7
243.02979	100.0
244.03319	5.8
245.04503	2.6
255.02892	1.2
257.04532	0.3
257.05478	0.3
257.08206	3.0
261.03958	0.6
267.02975	0.7
267.06555	0.4
269.04547	16.3
270.02295	0.3
270.04819	1.5
271.02475	1.1
272.03229	1.2
273.03989	3.3
279.02893	0.3
283.02588	0.4
285.03918	1.7
295.02313	0.5
295.67047	0.3
297.04218	0.5
351.06421	0.2
352.53387	0.2
365.10406	0.3
367.06137	1.3
368.06866	0.4
384.06424	0.3
392.80118	0.3
395.05530	0.7
396.06296	1.0
397.06335	0.4
397.10995	0.4
411.07205	5.3
412.07526	0.7
423.05191	0.4
425.10382	3.0
426.10971	0.7
427.11847	0.4
451.08322	0.7
453.09680	1.0
469.09250	3.3
470.09769	0.6
480.08472	0.3
484.11566	0.4
485.12265	0.4
501.11908	34.2
502.12329	5.8
503.13019	0.4
520.32166	0.4
521.33002	0.8
522.33716	1.0
530.12085	0.3
531.13055	0.7
543.12946	0.6
548.72699	0.3
619.12286	3.1
620.12549	0.4
637.13739	1.4
651.15186	0.6
667.43945	0.3
668.35724	2.0
669.16223	2.8
669.36713	1.5
670.16541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03450	1.2
59.01376	14.5
61.98836	0.9
69.03469	1.0
70.67654	0.6
70.67991	1.0
71.01379	9.8
71.75468	0.4
72.99320	1.1
73.02936	2.9
83.01384	2.2
85.02953	5.4
87.00900	1.3
89.02438	6.3
93.03471	1.6
95.01414	1.3
97.06590	0.6
99.00891	0.7
101.02444	7.5
109.02936	0.5
111.04472	0.5
113.02456	3.5
116.92861	0.7
119.03476	2.1
119.05040	1.7
121.06612	0.4
123.08150	0.4
125.02467	1.3
132.00037	0.5
137.02469	1.9
157.12346	0.6
159.12692	0.4
163.03992	2.6
171.10269	0.4
173.04555	1.4
178.99867	0.6
185.11800	4.2
191.02005	0.8
191.05623	0.6
209.08231	0.4
214.12096	0.7
221.58894	0.5
285.04080	0.5
285.20718	7.6
285.23618	0.7
286.21002	0.9
299.74829	0.5
313.23877	0.8
325.23792	1.6
327.25378	0.5
337.23682	0.9
343.24805	0.8
355.24817	8.1
356.25177	0.7
373.25922	15.9
373.30710	0.9
374.26395	1.5
414.31885	0.4
517.30121	2.6
535.31201	100.0
536.25079	0.3
536.31537	13.5
667.35425	49.9
668.24866	0.4
668.35687	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	667.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67605	0.3
55.01881	0.6
57.03458	1.2
58.00608	0.4
59.01379	12.0
60.01720	0.4
69.15630	1.4
69.16058	1.4
71.01383	8.3
72.99318	0.6
73.02946	2.8
83.01404	1.3
85.02940	3.3
87.00887	0.8
89.02450	4.2
93.03467	0.8
95.01414	0.9
98.19921	0.6
99.00890	0.4
101.02443	5.1
102.21925	0.3
113.02451	2.6
119.03548	0.9
119.05054	1.4
125.02484	0.5
125.09752	1.4
127.11332	0.6
129.01918	0.3
137.02420	0.4
137.09760	0.4
145.02939	0.7
149.04512	0.4
155.03496	0.9
155.10814	0.8
163.04057	1.3
167.03539	0.4
171.10274	4.6
173.04594	1.2
263.79855	0.3
285.20758	0.6
327.21780	0.8
337.23828	0.6
347.17188	0.5
355.24869	5.3
356.25238	0.7
371.24268	0.4
373.25934	14.1
373.30722	0.7
374.26328	1.2
391.19940	0.5
493.30225	0.5
503.21552	1.2
517.30054	3.1
535.31219	100.0
536.31531	11.7
579.29346	0.4
667.26337	2.0
667.35474	41.8
668.24994	0.3
668.35876	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	667.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01377	1.5
60.99311	0.4
65.03979	0.2
67.01892	3.7
69.03439	0.6
69.17783	2.5
70.49481	0.2
71.01380	2.8
81.03471	0.8
83.05025	0.6
85.02942	1.9
85.32551	0.2
87.00903	0.8
93.03459	19.9
94.03806	0.6
99.00880	0.3
99.04507	0.4
108.02297	0.2
109.02952	1.0
111.00890	0.8
111.04521	4.3
113.02446	0.4
115.04039	0.4
119.05029	15.9
120.05351	0.5
122.83404	0.2
123.04528	0.7
126.18558	0.3
127.04008	0.8
127.39429	0.3
137.02426	4.0
145.02965	0.4
155.03487	3.5
163.04007	14.4
164.04388	0.6
167.03473	2.9
173.04547	100.0
174.04881	3.8
191.05606	14.4
191.89275	0.3
192.05994	0.5
271.02362	0.5
299.02032	0.6
329.08783	0.4
337.09268	40.3
338.09622	4.5
667.15271	0.5
685.79028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03445	1.1
58.00597	0.6
59.01381	14.0
63.27398	0.3
69.59496	1.0
69.59908	1.0
70.67010	0.3
71.01383	7.9
71.05025	0.5
72.99308	0.9
73.02931	2.1
83.01397	1.2
85.02945	2.9
87.00890	0.7
87.04549	0.3
89.02442	5.3
94.93948	0.3
95.01393	1.0
98.20603	0.6
99.00847	0.4
101.02435	5.8
111.00894	0.5
113.02448	2.7
119.03503	1.3
123.08141	0.6
123.40043	0.3
125.02462	0.7
125.09743	2.6
137.09712	0.5
141.09219	0.5
143.10753	0.4
149.04630	0.4
150.41675	0.4
153.09186	0.7
155.10803	1.0
164.16240	0.3
164.73212	0.3
169.12315	0.6
171.10278	5.6
172.10637	0.5
185.11790	0.5
197.11783	0.5
200.10751	0.5
201.11375	0.4
209.11940	0.5
215.12842	0.7
227.12837	0.4
228.13432	0.4
265.18188	0.5
281.17383	0.6
307.76318	0.3
341.23309	2.3
353.19067	0.4
353.23331	7.4
354.23770	0.8
355.24896	1.0
371.24356	16.5
372.24768	1.7
515.28503	1.9
533.29651	100.0
534.21838	0.7
534.30023	13.6
535.32159	0.4
665.33905	38.8
666.34137	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
59.01371	1.3
60.06625	0.2
60.99295	0.4
67.01882	0.3
69.03423	0.2
71.01355	1.1
71.53562	0.3
73.02954	0.3
75.28889	0.2
81.03439	0.3
83.05030	0.4
84.20789	0.2
85.02951	5.4
87.00861	1.3
88.98807	1.5
89.02438	0.3
93.03460	3.9
95.01408	0.3
98.24726	0.2
99.00894	0.5
99.04475	0.2
109.02976	0.5
111.04517	1.1
113.02495	0.3
115.00343	0.4
119.05012	1.8
123.04532	1.0
125.02422	1.1
127.04018	1.8
129.01968	0.4
133.01445	0.8
137.02477	0.7
145.02965	0.8
151.00351	0.2
155.03551	0.4
159.42973	0.2
160.01003	0.2
163.03996	2.9
167.03474	2.7
171.02963	0.4
173.03117	0.4
173.04541	4.9
175.02470	0.2
178.99873	0.3
191.05605	100.0
192.05942	3.8
193.12659	0.2
203.26630	0.2
209.04643	0.3
243.02922	0.2
255.03061	0.5
271.02557	1.2
289.07187	0.2
297.12399	0.5
299.02179	0.3
299.13855	0.2
300.02771	1.6
301.03366	0.7
325.11945	0.4
329.08774	0.5
333.81851	0.2
337.09271	28.3
338.09579	2.2
407.07602	0.2
419.17111	0.3
425.08829	0.2
505.10129	0.6
625.14288	0.3
635.16968	1.5
636.17224	0.2
667.14307	1.1
668.15594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72578	0.5
55.01875	1.1
57.03450	60.2
58.03780	1.2
58.70064	0.6
59.01379	8.4
61.98826	2.3
67.73385	0.6
71.01389	7.4
71.26127	0.7
72.99290	0.9
73.02958	2.0
83.01388	11.4
85.02970	4.1
87.00877	2.0
89.02453	4.6
93.03438	1.1
98.19922	1.2
99.00877	0.8
101.02438	11.8
113.02460	2.3
116.92870	1.2
119.03529	1.3
119.96172	0.7
125.02434	1.4
127.00375	21.3
128.00720	0.7
137.02457	0.7
139.11259	0.7
145.01434	12.8
146.39203	0.7
149.04597	0.9
169.01498	0.7
173.04660	0.9
179.05643	0.6
183.17532	0.6
185.11818	1.4
191.02036	0.7
209.11772	1.4
285.04019	0.9
301.07150	0.7
309.24332	0.7
327.25345	5.7
328.25690	0.8
339.25357	9.1
340.25766	0.8
341.26990	1.3
357.26431	16.0
358.26889	1.8
501.30563	2.7
519.31750	73.9
520.32062	9.7
577.58472	0.7
603.33826	0.8
647.31860	0.6
665.33929	100.0
666.34247	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	665.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03448	1.3
58.00591	0.7
59.01380	13.3
61.98827	0.4
66.74390	0.2
69.03458	0.6
69.68942	0.3
71.01385	10.0
71.04996	0.3
71.30205	0.5
72.99298	0.8
73.02947	1.9
74.01651	0.3
81.03462	0.2
83.01389	1.1
85.02953	4.1
87.00890	0.7
87.04504	0.5
89.01938	0.4
89.02451	5.5
93.03448	0.4
97.06558	0.4
99.00866	0.7
101.02441	5.6
111.00879	0.3
111.08192	0.4
113.02448	2.6
113.06021	0.3
119.03500	1.2
123.08181	0.5
125.02454	0.5
125.09738	2.4
127.11267	0.3
129.01981	0.4
137.02409	0.4
137.09735	0.6
139.11290	0.5
140.52980	0.3
141.01746	0.3
149.04541	0.7
151.11157	0.3
153.09212	0.5
155.10818	0.4
171.10269	6.3
173.04541	0.6
185.11848	0.7
191.01990	0.3
197.11925	0.3
200.10573	0.4
201.11255	0.5
209.11890	0.3
215.12842	0.7
227.12877	0.6
251.51483	0.3
265.18085	1.0
281.17719	0.6
323.22409	0.4
335.22314	0.5
341.23404	2.5
353.23361	7.2
354.23526	0.7
355.24973	0.7
371.24374	16.6
372.24634	1.5
515.28387	1.5
533.29657	100.0
534.30017	13.1
535.31067	0.4
577.27344	0.4
665.33911	40.3
666.34375	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72578	0.5
55.01875	1.1
57.03450	60.2
58.03780	1.2
58.70064	0.6
59.01379	8.4
61.98826	2.3
67.73385	0.6
71.01389	7.4
71.26127	0.7
72.99290	0.9
73.02958	2.0
83.01388	11.4
85.02970	4.1
87.00877	2.0
89.02453	4.6
93.03438	1.1
98.19922	1.2
99.00877	0.8
101.02438	11.8
113.02460	2.3
116.92870	1.2
119.03529	1.3
119.96172	0.7
125.02434	1.4
127.00375	21.3
128.00720	0.7
137.02457	0.7
139.11259	0.7
145.01434	12.8
146.39203	0.7
149.04597	0.9
169.01498	0.7
173.04660	0.9
179.05643	0.6
183.17532	0.6
185.11818	1.4
191.02036	0.7
209.11772	1.4
285.04019	0.9
301.07150	0.7
309.24332	0.7
327.25345	5.7
328.25690	0.8
339.25357	9.1
340.25766	0.8
341.26990	1.3
357.26431	16.0
358.26889	1.8
501.30563	2.7
519.31750	73.9
520.32062	9.7
577.58472	0.7
603.33826	0.8
647.31860	0.6
665.33929	100.0
666.34247	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	661.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39124	0.6
56.91973	0.6
59.01380	13.5
59.63089	0.6
61.98817	2.3
70.63940	1.8
71.01376	2.0
79.97884	0.7
83.05059	0.6
89.02447	1.7
101.02439	1.9
103.37696	0.6
116.92829	0.9
125.02454	0.7
127.11292	1.7
161.04504	0.8
171.10272	100.0
172.10628	4.3
183.13925	4.0
193.12335	0.9
209.11681	0.8
211.13396	80.0
212.13673	4.3
235.08298	2.8
253.09265	5.7
285.87860	0.6
364.49289	0.6
407.19290	4.8
429.21298	1.5
447.22345	5.6
505.86987	0.7
583.31018	0.9
601.32843	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	661.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	10.3
59.01390	1.4
61.98836	1.0
69.03454	0.4
71.01381	0.8
71.53775	0.3
71.54202	0.4
72.99291	0.3
73.02946	0.4
81.03455	1.0
83.01385	2.9
83.05022	0.3
85.02945	0.6
87.00878	0.3
89.02447	0.4
93.03464	1.0
95.01411	0.3
95.05025	1.7
96.96020	0.8
101.02454	0.5
105.03456	3.6
106.03779	0.3
109.02975	0.8
111.04494	0.3
112.98533	0.4
113.02432	0.3
115.85308	0.3
116.92831	0.4
119.05045	0.5
121.02960	0.4
123.00919	0.3
123.04533	0.4
125.02448	60.6
125.09731	1.0
126.02765	1.6
127.11269	1.0
128.16211	0.3
129.01897	0.4
133.02930	1.0
137.02443	4.9
137.09711	0.8
139.04012	0.4
143.10800	0.3
149.02451	0.6
151.04002	0.4
155.03461	0.4
155.10822	0.6
159.04495	0.4
161.02444	25.6
162.02904	1.0
163.03989	0.4
164.01183	0.4
165.01923	0.8
166.02719	0.6
167.03529	1.1
171.10249	4.1
177.01895	0.3
177.05566	2.5
179.03510	0.5
179.10780	0.8
183.04489	0.5
190.94664	0.3
197.06091	0.4
197.11882	0.4
201.05563	1.3
209.11823	0.6
213.05510	0.4
217.05174	0.3
219.06615	0.9
225.05655	0.6
227.03587	0.5
227.12915	0.5
229.01500	0.4
229.14488	0.5
230.15189	0.5
243.06633	0.6
269.04532	4.2
285.20779	0.6
287.05615	6.2
288.06067	0.5
289.07153	0.3
305.06674	3.2
325.23795	0.4
355.24896	0.8
371.24359	1.2
373.25928	100.0
374.26251	8.7
374.30795	0.6
389.25464	1.1
460.68173	0.3
495.29504	0.4
523.29181	0.8
587.97009	0.3
661.32605	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95707	0.3
54.41904	0.3
54.59174	0.3
57.03447	1.0
59.01370	1.7
67.01894	3.6
69.03461	0.9
69.18321	3.3
71.01385	2.9
71.75162	0.3
72.31458	0.3
74.72832	0.4
80.44995	0.3
81.03433	0.6
83.05030	1.0
85.02953	3.0
88.59139	0.4
93.03458	21.4
94.03809	0.4
94.42078	0.3
109.02925	0.7
109.42380	0.3
111.00902	1.3
111.04535	3.5
113.02489	0.4
119.05026	11.2
126.00890	0.4
137.02457	4.4
140.91057	0.4
145.02972	0.5
155.03481	3.7
163.04004	16.2
164.04295	0.7
168.98676	0.4
173.04544	100.0
174.04918	3.2
191.01961	3.5
191.05585	2.1
225.57954	0.4
252.33762	0.4
314.21399	0.4
337.09286	37.6
338.09628	2.3
344.53711	0.5
616.78656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27323	0.6
55.01871	1.6
57.03448	14.1
59.01376	6.1
68.99825	1.3
70.79672	1.3
71.01380	3.7
72.99290	1.1
75.00864	2.2
80.00970	0.6
83.01384	3.0
84.02160	2.5
85.02950	100.0
86.03287	1.1
87.00842	0.9
89.02412	0.8
90.95621	0.8
93.03465	1.1
101.02467	0.9
103.00368	1.4
110.87639	0.6
111.00862	4.0
115.00357	1.0
119.05059	3.6
125.02453	2.0
129.01939	8.9
133.01384	1.1
135.04498	2.2
147.02997	13.3
155.83806	0.7
163.04030	4.2
167.03445	0.9
173.00906	2.5
173.04556	3.3
174.04846	1.0
178.92348	0.7
179.03510	1.9
180.03854	1.0
191.01971	55.2
191.05632	2.1
192.02356	1.0
197.63118	0.7
209.03012	36.4
210.03415	0.7
271.06439	0.6
298.63376	0.7
308.96509	0.7
337.05588	2.1
355.06601	30.8
356.07114	2.2
545.38055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.1
61.98831	9.7
62.96379	1.1
64.58556	0.8
65.95959	0.8
66.78062	0.8
71.01338	0.9
71.08761	0.9
71.09085	1.2
78.95905	100.0
81.03450	1.8
81.06446	0.8
83.05035	4.3
96.96935	7.2
99.71861	0.9
101.02454	1.2
123.04471	1.7
125.02444	2.6
128.84830	0.8
134.98582	1.1
152.99582	55.9
153.99872	1.5
155.00259	0.8
163.11270	3.1
165.12854	1.6
167.03448	1.9
171.00604	1.2
181.12419	1.2
191.10677	1.5
195.13879	7.9
209.11823	50.9
210.12105	3.3
211.13385	2.5
213.53394	0.9
227.12878	8.1
237.71385	0.8
249.09621	0.9
277.21710	9.5
293.21487	1.0
295.22766	28.0
296.23383	2.0
363.12097	26.6
364.12372	1.6
381.13135	7.2
382.48337	0.9
431.22049	13.8
432.22519	1.5
448.16745	1.2
449.23178	6.8
468.30270	0.9
503.63763	1.0
578.78070	1.2
607.24957	0.8
659.35651	74.5
660.35815	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	659.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
59.01382	2.5
59.70154	0.7
61.98833	6.0
71.01369	0.9
71.08589	1.3
78.95904	100.0
81.03414	0.7
83.05018	3.0
96.96955	7.4
97.60793	0.6
113.09711	1.3
123.04566	0.7
125.02404	3.4
134.98502	1.2
150.97902	1.0
152.99580	53.5
163.11224	1.8
167.03529	1.3
171.00592	0.9
179.14392	0.9
191.10760	0.9
195.13911	13.4
209.11824	30.1
210.12167	1.5
211.13359	1.3
227.12843	3.5
277.21722	9.8
278.21814	1.0
295.22775	37.9
296.23038	3.6
353.87772	0.6
363.12164	11.0
381.13129	1.9
431.22009	22.9
432.22223	1.9
448.16568	1.1
449.22989	8.0
527.82684	0.8
577.26508	0.8
578.27051	0.9
605.76752	0.8
659.35620	68.9
660.35925	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	659.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91549	0.6
57.03446	1.6
59.01379	5.9
61.98828	2.5
68.99574	1.5
69.03462	0.8
70.45938	1.7
71.01379	4.7
73.02939	1.4
73.96168	0.5
76.83228	0.5
77.60625	0.5
80.02696	0.8
81.03466	1.5
83.01379	1.0
83.05022	4.0
84.02182	0.7
85.02950	2.2
87.00874	1.2
89.02443	3.2
93.85999	0.5
95.05050	1.9
96.95988	3.6
97.06592	3.4
101.02425	4.4
112.98523	2.7
113.02436	2.5
116.74149	0.6
116.92857	1.1
119.03503	0.6
119.04971	0.5
124.93044	0.5
125.02451	1.5
137.02449	0.9
143.03346	0.6
145.05052	0.6
149.09703	0.5
151.10101	1.1
151.11281	16.3
152.11668	0.6
161.04529	1.7
163.11281	3.1
165.12830	2.1
169.12334	70.9
170.12732	3.4
183.13972	0.8
191.05630	0.9
191.10840	0.6
195.10225	2.0
197.11827	0.9
199.13441	0.7
209.11819	57.2
210.12170	7.8
211.13525	7.8
212.13750	4.7
213.11328	9.4
213.13934	1.7
225.11224	0.8
227.12888	7.4
228.13243	1.1
235.08238	1.8
253.09288	4.6
255.02963	0.9
283.02560	0.5
298.73474	0.6
302.31821	0.5
431.19095	2.6
449.20117	7.1
497.26538	0.6
515.41638	0.5
521.98206	0.6
551.23712	0.6
641.32129	2.9
659.32849	100.0
660.33228	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	659.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56239	0.3
57.03444	0.5
58.00594	0.4
59.01379	7.6
61.98814	0.4
69.03450	0.6
70.71629	0.7
71.01380	4.5
72.27039	0.2
72.99316	0.4
74.51302	0.3
77.03946	0.5
81.03461	1.0
83.01390	2.2
84.06979	0.3
85.02946	1.4
86.07616	0.3
87.00863	0.5
89.02440	3.4
93.03453	1.6
95.01389	1.9
95.05013	0.7
96.95975	0.5
97.02934	2.2
97.42331	0.3
101.02436	3.0
101.60912	0.3
107.05036	0.3
108.02159	1.1
109.02956	8.0
111.04530	1.8
113.02454	1.8
119.03492	1.2
119.05048	0.5
121.02980	1.9
123.00893	3.0
123.04512	0.6
124.01665	5.3
125.02447	14.9
132.45399	0.3
133.03075	0.3
133.06570	0.3
135.04494	0.8
136.01620	1.2
136.05281	0.8
137.02446	15.1
137.57748	0.3
138.03236	16.0
139.04022	8.2
147.04565	0.7
148.05235	0.7
149.02452	0.6
149.06075	1.0
150.03215	1.6
151.03993	1.5
155.03433	0.7
159.04491	1.0
161.02435	1.9
161.52225	0.3
162.03186	1.2
163.00305	0.8
163.03987	0.8
164.01151	5.5
164.04768	0.7
165.01929	19.7
165.09192	0.9
166.02463	1.1
167.03481	5.6
170.02209	2.5
173.05936	0.4
174.01640	0.9
175.04005	2.9
176.04718	0.6
177.01929	3.6
177.05544	3.6
178.02690	1.9
178.06042	0.4
179.03459	3.4
180.03993	0.3
189.05594	0.7
190.06160	0.3
191.03470	0.9
191.05586	0.5
191.07161	0.5
192.04092	0.3
193.04976	0.8
199.04085	0.3
201.05452	0.7
203.03487	3.8
204.04285	1.9
205.05017	1.1
209.11797	0.8
217.05043	1.2
218.05843	1.4
219.06616	6.5
220.06891	0.4
221.04532	7.1
222.04822	0.4
245.04529	0.3
247.02533	0.7
260.06873	1.3
263.05634	0.7
281.19669	0.3
299.16766	0.5
304.05856	0.8
311.16602	0.4
339.16061	1.6
393.20898	0.3
411.21600	0.3
435.21829	1.4
436.15225	0.3
453.21616	0.4
479.22736	2.9
480.23117	0.3
491.22772	4.1
492.22995	0.7
497.34808	2.5
519.22168	3.1
521.23572	0.6
533.23773	1.9
615.28271	2.1
659.27045	100.0
660.27466	17.5
662.67706	0.3
674.54370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
57.03466	0.4
58.00580	0.5
59.01380	8.7
65.83330	0.3
67.01887	0.3
69.03446	0.8
69.38246	1.9
69.38647	0.7
71.01382	4.7
72.99300	0.6
73.02960	0.4
76.95004	0.3
77.03954	0.4
80.96522	1.8
81.03461	1.2
83.01386	2.6
85.02934	1.2
89.02442	3.9
93.03461	1.6
95.01400	2.2
95.05003	0.4
96.96030	0.8
97.02943	2.2
101.02440	3.0
108.02167	1.2
109.02950	7.5
111.04533	2.2
113.02435	1.6
119.03476	0.9
119.05003	0.7
121.02973	2.1
123.00885	3.0
123.04515	0.6
124.01659	5.7
125.02445	14.2
126.02774	0.5
126.79260	0.3
131.04994	0.6
133.02930	0.3
133.06541	0.7
134.03725	0.4
135.04507	0.8
136.01671	1.4
137.02446	15.9
138.03230	17.1
139.04036	7.9
145.02921	0.4
145.08652	0.3
147.04509	0.5
148.05241	0.6
148.99214	0.4
149.02434	1.1
149.06062	1.4
150.03203	1.3
151.04004	1.6
159.04498	1.3
161.02417	1.8
162.03174	1.0
163.00404	0.9
163.03981	1.4
164.01135	5.2
165.01924	20.9
166.02605	1.3
167.03505	5.7
170.02187	2.7
173.05992	0.4
175.04012	3.0
176.04649	0.8
177.01930	3.5
177.05554	3.8
178.02737	1.7
178.99765	0.3
179.03503	3.9
181.04921	0.5
183.13913	0.6
187.09702	0.4
189.01912	0.4
189.05609	0.6
190.02625	0.5
190.06250	0.4
191.03514	0.8
191.07152	0.3
193.05028	0.8
199.04027	0.5
200.04790	0.3
201.05621	0.6
203.03516	3.3
204.04218	1.9
205.05055	0.8
217.05013	1.2
218.05803	1.3
219.06602	7.3
220.06935	0.5
221.04536	7.9
222.04857	0.5
225.00658	0.7
245.04562	0.5
246.05089	0.4
247.02467	0.8
260.06866	0.8
263.05545	0.8
300.10187	0.4
304.05792	0.6
311.09372	0.3
339.16040	1.5
357.61798	0.4
411.21133	0.4
435.21564	1.4
479.22891	2.8
491.22910	4.0
519.22308	2.4
520.22430	0.4
521.23773	0.8
527.17908	0.6
533.23975	2.5
534.24725	0.5
615.27960	2.7
616.28143	0.4
659.27130	100.0
660.27490	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	659.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.4
57.03441	0.3
59.01381	7.9
61.98844	0.4
67.08241	0.3
69.03458	0.8
69.14884	0.3
69.33696	1.5
69.34110	0.8
71.01383	4.7
74.81767	0.3
77.14864	0.3
79.95712	0.3
80.96517	2.6
81.03443	0.7
83.01386	2.1
83.05022	0.3
83.21158	0.3
85.02956	2.0
85.94707	0.3
87.00874	0.5
89.02448	3.9
93.03452	1.5
94.98080	0.5
95.01379	1.8
95.05032	0.6
96.96010	0.7
97.02946	2.9
99.00883	0.5
101.02443	3.2
107.05016	0.5
108.02159	1.3
109.02946	8.7
111.04517	2.0
113.02452	2.2
119.03528	0.8
119.05032	0.5
121.02946	2.2
123.00882	3.0
123.04513	0.5
124.01666	5.7
125.02446	13.2
126.02830	0.6
133.02936	0.5
133.06621	0.5
135.04523	1.0
136.01654	1.2
137.02446	16.5
138.03235	16.8
139.04037	6.9
145.03067	0.3
147.04495	0.7
148.05309	0.4
149.02412	1.1
149.06053	1.3
150.03185	1.8
151.04018	1.9
155.03473	0.3
159.04483	1.4
161.02431	2.1
162.03220	0.8
163.00409	0.8
163.04021	1.6
164.01147	5.7
164.04810	0.7
165.01929	21.2
166.02501	1.3
167.03482	5.3
170.02184	2.6
173.06084	0.6
174.03189	0.4
175.03984	3.1
176.04736	0.5
177.01930	3.7
177.05548	4.1
178.02728	1.9
179.03476	4.0
180.03911	0.4
183.13818	0.3
189.01880	0.4
191.03494	0.8
193.05043	0.9
201.05528	1.0
203.03465	3.1
204.04205	1.6
205.05008	1.0
217.05060	1.0
218.05756	1.0
219.06607	7.2
220.06979	0.5
221.04538	8.4
221.06616	0.5
225.00659	0.9
242.05745	0.3
243.06544	0.4
245.04326	0.5
246.27969	0.3
247.02495	1.2
260.06842	0.7
263.05591	0.7
267.07162	0.8
304.05920	1.0
308.25540	0.3
311.16489	0.5
339.16171	1.5
393.20654	0.4
435.21802	2.0
479.22885	2.8
491.22882	3.4
492.23184	0.3
519.22339	2.9
520.22656	0.5
521.23718	0.5
533.23883	2.4
615.27911	2.0
616.28369	0.5
659.27161	100.0
660.27466	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	659.0156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19969	0.3
59.01378	63.8
60.01715	0.5
61.98828	0.6
67.33031	0.3
69.14539	3.1
75.35873	0.3
90.97154	1.0
93.45331	0.4
118.96661	0.5
132.98241	1.5
143.79211	0.3
150.94774	0.3
157.03535	1.8
159.01483	0.4
174.99246	23.4
185.03091	0.3
192.95842	3.1
194.89328	0.3
201.02542	16.2
202.02722	0.8
217.00284	100.0
218.00554	2.9
218.98149	0.4
282.94711	0.3
296.69406	0.3
343.03769	2.2
347.09473	0.3
359.01465	34.7
360.01703	3.4
374.99203	51.8
375.99689	2.0
517.00385	11.4
518.00409	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	658.38
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.3
61.98830	100.0
67.08061	0.3
69.17087	2.8
70.48833	0.3
74.01604	0.2
78.95908	5.0
94.95364	0.3
96.96988	0.4
120.46062	0.3
125.02470	1.3
137.02478	0.3
152.99585	2.9
153.99931	0.3
167.03600	0.6
177.01982	0.4
197.11815	0.3
201.57755	0.3
209.11832	1.4
210.12144	0.4
211.03352	0.3
211.13383	2.0
212.13751	0.6
228.13206	0.3
229.23468	0.3
242.55832	0.3
277.21765	0.9
293.21332	0.4
294.21698	0.4
295.22809	0.9
300.44159	0.3
363.12509	0.5
393.07742	0.3
429.20917	0.4
431.21979	0.6
437.00833	0.3
447.22037	0.7
615.82782	0.3
658.34705	1.1
659.35620	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	657.349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04167	0.2
59.01380	3.3
69.03459	0.7
69.41411	1.3
71.01374	2.6
73.02947	0.5
73.66341	0.2
80.02688	1.0
81.03447	0.9
83.01392	0.4
83.05023	4.1
83.27759	0.2
84.02164	0.6
85.02950	0.8
87.00880	0.6
89.02438	2.2
95.05010	0.6
97.06569	0.3
98.19932	0.5
101.02435	2.3
109.06603	0.3
113.02441	1.4
115.37394	0.2
119.03526	0.6
122.89129	0.2
125.06081	0.3
130.47777	0.2
133.05124	0.2
143.03545	0.2
145.04976	0.4
155.10712	0.4
161.04546	1.6
163.11270	2.8
164.11545	0.3
165.12836	1.8
167.10770	0.3
167.14386	0.8
171.10324	1.1
179.05562	0.3
181.12386	0.5
183.13882	5.8
184.14236	0.3
191.10774	0.7
193.12349	1.8
199.13394	0.4
209.11816	84.6
210.12169	4.9
211.13379	100.0
212.13727	5.9
227.12877	12.2
228.13243	0.8
235.08203	3.4
249.14894	0.7
253.09283	9.0
254.09666	0.5
295.95889	0.2
353.89349	0.2
403.24603	0.5
429.21173	0.3
445.20880	1.3
447.22348	5.3
448.22894	0.8
609.74487	0.3
621.32953	0.7
639.33508	0.7
657.35260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.2
57.03444	0.2
59.01376	3.2
69.03451	0.5
71.01379	2.5
73.02954	0.5
80.02672	1.0
81.03453	1.0
83.01359	0.6
83.05026	4.3
84.02157	0.8
84.05350	0.2
85.02960	0.6
87.00864	0.7
89.02439	2.0
95.01353	0.3
95.05018	0.3
101.02441	2.4
106.46947	0.2
109.06599	0.2
113.02448	1.5
119.03480	0.5
125.02477	0.3
125.06089	0.4
125.09697	0.3
133.05110	0.2
135.08176	0.5
143.03459	0.3
145.05055	0.3
147.11765	0.2
161.04549	1.2
163.11282	3.2
165.12842	2.4
167.14449	0.5
171.10269	1.1
179.05559	0.5
181.12346	0.6
183.13901	6.1
191.10797	0.9
193.12296	1.2
199.13432	0.4
209.11815	100.0
210.12166	5.5
211.13377	86.0
212.13712	5.2
227.12875	13.7
227.16225	0.2
228.13210	0.9
235.08232	2.7
249.14946	0.8
253.09280	8.7
254.09595	0.6
281.58890	0.2
357.41238	0.2
385.23840	0.3
403.24765	0.6
429.21109	0.3
445.20731	1.7
447.22299	3.2
463.21869	0.3
621.32672	0.9
639.33795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24376	0.5
53.14323	0.5
57.03444	0.9
59.01379	2.2
66.33863	0.5
67.01897	0.7
69.56669	3.2
71.01373	1.5
81.03477	0.9
85.02942	2.8
87.00890	0.9
89.03973	1.2
93.03455	7.7
96.02255	0.5
97.02950	1.1
98.20184	1.7
99.72318	0.5
109.02949	2.0
111.04512	4.4
117.03461	8.0
119.05062	0.8
123.04574	1.1
125.02483	4.2
127.04010	0.6
129.01897	0.5
131.26933	0.6
134.03740	85.8
135.04118	2.3
137.02509	3.1
138.58084	0.6
144.15923	0.6
149.02380	0.7
149.06071	7.1
152.90411	0.6
155.03497	3.2
163.04027	1.2
165.01962	1.0
167.03461	0.7
173.04544	21.6
174.04893	1.0
177.01915	0.7
179.03427	1.5
185.17668	0.7
191.05595	15.0
193.05045	100.0
194.05432	4.3
203.07135	1.1
205.05000	0.6
245.08112	1.1
247.73116	0.6
285.04050	0.6
289.07172	7.0
290.07443	1.0
303.04999	1.0
305.06793	1.1
347.61526	0.6
353.08780	1.4
356.27933	0.7
367.10312	49.1
368.10617	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	657.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42775	0.2
55.01867	0.3
58.00582	0.2
59.01379	3.5
62.40008	0.2
68.99563	0.4
69.03477	0.3
70.84303	0.4
70.84658	0.3
71.01385	2.7
71.14392	0.2
71.28661	0.2
73.02930	0.5
76.40502	0.2
80.02687	1.0
81.03462	1.1
83.01389	0.4
83.05025	4.5
84.02168	0.7
85.02940	0.7
87.00895	0.4
89.02446	2.1
95.01348	0.3
95.05020	0.5
101.02437	2.8
112.98577	0.5
113.02435	1.5
113.86820	0.2
119.03506	0.5
125.02445	0.2
125.06051	0.6
125.09734	0.2
135.08154	0.6
143.03531	0.3
145.05080	0.4
155.10756	0.2
161.04550	1.2
163.11301	3.3
165.12843	2.2
167.14424	0.5
171.10251	1.5
179.05681	0.4
181.12329	0.6
183.13896	5.2
184.14293	0.4
191.10786	1.1
193.12334	1.5
199.13350	0.5
209.11821	100.0
210.12160	5.6
211.13383	80.0
212.13708	4.1
227.12878	15.1
228.13182	0.6
230.64000	0.2
235.08197	2.6
236.08546	0.2
249.14879	1.1
253.09265	8.0
254.09657	0.5
297.96362	0.2
385.23877	0.3
386.53705	0.2
403.24911	0.6
421.25726	0.3
429.21274	0.3
445.20944	1.5
447.22321	3.2
448.22693	0.2
463.21487	0.3
484.00714	0.2
621.32605	1.1
639.33783	0.9
640.34393	0.3
657.34833	0.4
672.10706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	8.8
59.01373	5.8
67.01872	2.3
69.52897	7.2
69.53313	4.7
71.01379	3.7
78.95901	2.9
81.00037	1.9
81.03468	3.2
83.01378	6.9
85.02946	19.2
87.00869	4.2
90.62043	2.2
93.03433	19.4
95.05018	3.2
96.96959	4.4
97.02952	3.0
98.68112	1.7
109.02935	6.7
111.00874	3.8
111.04518	5.2
119.05016	9.0
121.02906	3.2
123.00918	3.2
125.02443	49.6
127.04034	2.9
129.01935	2.4
133.02939	2.9
135.04501	7.2
137.02437	25.4
139.03993	4.7
151.04050	2.8
153.23314	1.8
155.03487	6.9
163.03967	7.5
164.01144	7.7
165.01918	28.3
167.02164	1.8
167.03450	9.1
173.02336	2.6
173.04561	49.4
173.05972	3.4
174.03188	2.2
174.04811	2.6
175.03995	7.3
175.06094	2.1
177.01903	3.4
179.03525	14.3
181.04991	3.8
181.97794	1.8
183.04436	3.6
185.05983	4.7
187.03969	4.2
191.01950	2.9
191.03781	2.9
191.05606	50.8
196.05255	3.1
199.03909	3.4
199.05925	1.9
201.05536	3.1
209.02956	5.4
209.05991	3.0
211.04034	20.9
212.04755	6.7
213.05528	6.7
214.02585	5.7
215.03322	2.7
225.05508	6.3
227.03458	7.2
227.07062	4.5
228.04295	2.9
229.05078	11.0
233.06621	3.8
235.04031	2.4
237.05446	3.6
239.03444	15.7
239.07155	2.8
240.04301	10.8
241.05002	17.3
242.02281	13.7
243.02974	39.6
244.03453	4.7
245.08165	2.7
248.04854	2.3
249.05508	4.5
251.03461	2.7
253.04985	7.6
254.05806	2.1
255.02934	3.8
255.06604	8.6
256.03775	10.0
257.04541	100.0
258.05289	74.8
259.05914	11.2
264.04218	2.4
265.05182	3.5
267.02975	23.4
268.03424	3.8
269.04529	2.9
271.06070	14.5
273.07678	12.4
275.07059	2.3
277.05222	10.1
279.02914	5.4
280.03799	4.7
281.04471	3.2
283.02563	5.4
283.06082	25.3
284.06378	2.4
285.04025	44.1
286.04532	3.4
293.04547	2.7
293.07932	2.3
295.02960	3.4
295.06097	26.3
296.03235	2.9
296.06354	3.9
297.04007	12.5
299.05566	11.3
301.07242	24.5
303.05264	2.9
305.06659	2.4
309.04236	4.6
309.07520	2.5
313.06796	3.5
315.05045	4.9
317.07031	2.9
319.05954	3.9
321.03897	4.0
327.05045	7.3
333.11295	2.9
335.09207	5.1
337.07135	7.8
339.04980	9.6
345.06128	23.4
353.10223	12.3
355.08105	2.6
359.09094	3.3
360.74759	2.1
377.10391	8.4
379.08160	5.6
395.11172	5.8
403.08057	9.6
405.06100	16.1
421.09238	31.5
422.09558	3.0
423.07147	19.5
424.07336	3.0
439.10342	74.9
440.10767	9.1
447.07169	3.8
465.08121	33.3
466.08691	4.1
483.09326	18.7
484.09534	2.9
489.10263	6.6
501.10391	9.5
513.10449	5.9
515.74078	1.9
519.11426	42.5
520.11639	5.5
639.12933	5.2
657.14569	47.3
658.14850	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	656.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55870	0.2
56.14217	0.2
59.01379	0.5
61.98831	100.0
65.90682	0.2
70.83099	0.2
78.95915	1.8
122.82628	0.2
125.02419	0.5
152.99625	1.4
167.03503	0.3
167.82718	0.2
203.28751	0.2
209.11877	1.5
211.13344	1.7
213.84613	0.2
217.68745	0.2
227.12994	0.3
253.88799	0.2
347.12820	0.4
445.20078	0.6
502.56137	0.2
554.34613	0.2
590.13959	0.2
656.33942	0.3
657.34015	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86919	0.6
53.10852	0.6
56.52366	0.7
57.03439	1.2
59.01373	2.5
61.98828	100.0
63.36388	0.6
65.80448	0.6
68.69577	0.8
69.41153	2.6
69.41582	2.2
83.01424	0.8
85.02959	3.0
86.03275	0.7
87.00883	1.6
93.03462	1.3
103.00368	1.7
107.01461	1.2
118.25855	0.8
119.05023	1.2
125.02433	2.3
129.01961	0.9
137.02455	0.7
147.03050	0.7
147.04492	4.7
151.00391	1.9
165.05595	2.2
166.05853	1.2
173.04565	0.9
177.81598	0.9
178.99886	1.2
187.04129	1.0
191.02014	2.6
191.05554	1.1
192.02330	0.8
193.03497	1.2
207.06700	0.7
227.03481	21.6
228.03949	1.5
229.05070	2.4
255.02966	35.0
256.03467	4.3
257.04388	1.6
272.02902	0.8
283.02658	1.0
284.03241	64.5
285.03943	18.6
286.04486	1.0
300.02853	1.3
301.03198	2.3
323.49768	0.6
463.09070	1.1
464.09146	2.6
593.15063	73.4
594.15265	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	656.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29958	0.2
54.39305	0.2
59.01379	0.7
61.98830	100.0
69.39792	0.9
69.40224	0.7
70.06171	0.2
78.95904	1.9
82.41647	0.2
82.44344	0.2
96.97007	0.2
125.02446	0.9
125.09743	0.2
152.99557	1.2
167.03496	0.3
197.11845	0.3
200.57365	0.2
209.11879	1.5
210.12106	0.3
211.13356	1.5
224.45648	0.2
227.12910	0.3
251.94470	0.3
363.11902	0.5
445.20026	0.3
548.41315	0.3
656.34442	0.5
657.34320	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30981	0.1
55.01875	0.1
57.03433	0.3
59.01382	2.2
61.66852	0.1
61.98825	0.2
64.22767	0.1
69.03450	0.2
71.01383	1.6
71.05011	0.1
72.69141	0.1
73.02937	0.4
78.95904	1.4
80.02690	0.8
81.03462	1.1
83.01401	0.3
83.05029	3.9
84.02174	0.5
85.02953	0.4
85.76430	0.1
87.00874	0.5
89.02443	1.2
93.03437	0.2
95.01402	0.2
95.05032	0.8
97.02967	0.3
97.06589	0.2
98.02955	0.1
99.00883	0.2
99.04540	0.1
101.02442	1.4
107.05031	0.1
109.06611	0.8
113.02438	0.9
119.03522	0.3
121.06614	0.2
122.17520	0.1
123.08181	0.2
125.02440	0.4
125.06086	0.5
125.09710	0.6
133.05072	0.1
135.08179	0.8
143.03575	0.1
145.05019	0.2
147.11754	0.1
149.09755	0.3
150.06862	2.2
152.99593	0.8
161.04575	0.7
161.09641	0.1
163.07635	0.3
163.11295	3.5
164.08411	0.3
164.11610	0.1
165.12852	1.8
167.03436	0.1
171.10280	2.1
179.05540	0.3
179.10796	1.3
181.12384	0.6
183.13934	0.1
185.11867	0.7
191.10754	0.8
193.12262	0.1
203.14471	0.2
206.58336	0.1
207.10263	1.3
209.11827	100.0
210.12158	5.4
210.14235	0.2
211.13370	1.7
221.15538	0.2
223.13455	0.2
225.11316	0.7
227.12875	6.2
228.13249	0.3
231.13948	0.3
233.11809	0.2
235.08238	1.6
247.13379	1.5
249.15076	0.6
251.12827	0.3
253.09296	4.5
254.09747	0.2
265.14450	0.5
339.23270	0.3
355.22949	0.1
363.12000	0.1
365.21249	0.1
373.23767	0.3
375.25339	0.2
383.22324	0.9
391.25134	0.1
395.14786	0.2
401.23294	2.1
402.23691	0.2
407.19162	0.1
413.15842	0.1
419.24466	1.2
420.24884	0.1
437.24963	0.2
445.20831	1.8
446.20911	0.2
457.26556	0.1
461.20099	0.2
478.32898	0.4
483.22437	0.1
492.34802	0.1
493.35382	5.0
494.35812	0.6
591.25854	0.5
609.32452	0.1
619.31097	0.4
623.28577	0.8
624.29169	0.1
637.32263	4.9
638.32813	0.8
655.32703	2.1
656.33698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.1
58.00591	0.2
59.01377	1.6
61.98804	0.2
69.03419	0.2
71.01376	1.6
73.02932	0.5
80.02660	0.4
81.03448	0.4
83.01378	0.4
83.05023	1.5
84.02155	0.3
85.02941	0.4
87.00855	0.5
89.02444	1.0
91.51765	0.1
95.01374	0.2
95.05020	0.3
97.02937	0.2
98.20672	0.3
101.02430	1.7
109.06570	0.4
113.02428	0.8
119.03493	0.2
125.06049	0.3
135.08183	0.4
144.49846	0.1
145.05052	0.4
156.06609	0.1
157.04967	0.1
161.04562	0.8
163.11276	1.8
165.12833	0.9
179.05701	0.1
181.12318	0.4
191.10811	0.4
207.10193	0.9
209.11813	100.0
209.79382	0.1
210.12154	5.4
211.13359	1.6
225.11256	1.2
227.12874	5.3
227.15176	0.2
228.13116	0.4
235.08220	4.1
238.38977	0.1
253.09254	4.5
401.23462	0.2
443.19412	0.2
445.20746	1.2
446.20862	0.1
461.20416	0.4
637.32068	0.7
655.33191	0.8
656.33759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.1
59.01109	0.1
59.01378	1.5
61.98819	0.2
62.53499	0.1
69.03461	0.1
70.68530	0.1
71.01376	1.4
72.99306	0.2
73.02965	0.2
80.02670	0.6
80.06404	0.1
81.03452	0.6
83.01387	0.3
83.05025	2.8
84.02155	0.4
85.02960	0.4
87.00867	0.2
89.02448	1.2
95.01384	0.2
95.05028	0.4
97.02935	0.2
97.06586	0.2
98.19897	0.1
99.00883	0.1
101.02433	1.1
109.06590	0.4
111.08138	0.1
113.02432	0.7
117.90435	0.1
119.03519	0.3
124.46789	0.1
125.06087	0.3
125.09688	0.2
135.08150	0.3
137.09727	0.1
143.03477	0.1
147.11923	0.1
159.10426	0.1
161.04640	0.5
163.11287	2.3
165.12825	1.3
179.05579	0.4
181.12347	0.4
191.10774	0.6
191.36240	0.1
207.10286	0.9
209.11816	100.0
210.12163	5.2
210.14243	0.2
211.13361	1.4
212.13705	0.1
225.11316	0.4
227.12877	6.8
228.13077	0.4
235.08224	1.1
251.12880	0.1
253.09268	4.6
254.09555	0.2
383.22281	0.1
401.23288	0.3
419.24164	0.2
445.20801	1.0
446.21225	0.1
461.20920	0.1
463.22000	0.1
598.24457	0.1
609.32990	0.1
637.31769	0.7
638.32690	0.1
655.21942	0.1
655.33148	0.6
656.33704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.6
59.01383	18.1
60.04212	1.3
61.98822	8.3
70.64253	3.8
71.01387	17.0
72.99295	1.6
73.02951	3.7
81.03431	2.5
83.01392	3.6
83.05017	4.9
85.02931	6.4
87.00861	5.8
89.02451	10.3
93.03438	1.8
95.01404	1.9
95.05023	3.1
97.02957	3.6
97.06580	1.5
101.02449	13.9
107.05061	1.7
109.06595	25.7
111.04501	1.5
113.02464	8.1
117.16561	1.4
119.03511	2.0
119.05017	1.5
121.06568	2.1
123.04585	2.0
123.08141	1.3
125.02427	2.3
125.09714	5.2
135.08141	3.6
136.05215	1.4
145.05107	1.8
149.04564	1.7
161.04549	3.0
161.09709	2.5
163.11275	16.9
164.11630	1.4
171.10291	10.1
179.05545	1.7
181.12325	2.0
183.13907	9.7
184.54689	1.2
185.11804	16.5
189.09108	2.6
193.12329	3.1
199.13368	1.9
203.14418	2.4
205.12285	2.3
207.10249	52.1
207.13564	2.0
208.10645	4.0
209.11810	40.8
210.12323	1.9
211.13390	92.7
212.13745	4.1
213.14923	1.9
221.15508	3.2
223.13409	3.3
225.11308	31.9
227.12845	4.0
231.13838	2.9
233.11862	3.2
235.08252	8.9
247.13428	7.1
249.14952	4.6
251.12875	3.5
253.09341	12.6
285.04150	1.4
311.23840	1.7
321.22339	1.7
329.25012	2.1
339.23251	7.1
355.22629	3.7
355.88019	1.3
357.24292	3.0
365.21255	3.0
373.23959	10.4
375.21698	2.8
383.22241	25.8
384.22592	2.4
391.24893	7.8
391.63367	1.6
401.23322	42.1
402.23758	4.9
419.24371	19.3
420.24805	2.2
443.19296	3.2
447.22458	2.8
461.20157	8.3
475.26828	2.1
609.33252	9.1
611.30249	3.2
619.31451	12.0
620.31720	2.6
627.33722	2.5
637.32251	100.0
638.32715	16.3
655.33282	46.0
656.33582	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	654.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82759	0.4
55.55462	0.4
61.98828	100.0
64.09754	0.4
65.80431	0.3
71.44108	0.6
78.95914	0.5
98.20512	0.5
157.37341	0.4
158.53685	0.4
169.99643	0.5
192.33540	0.3
419.12546	0.6
563.98529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.31
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21098	0.3
55.01850	0.3
57.03452	0.4
59.01382	2.0
60.99308	0.4
61.98829	1.3
62.96413	0.3
69.03465	0.4
71.01371	1.9
71.53344	0.7
73.02952	0.4
73.37088	0.4
78.95903	73.9
80.02683	1.5
81.03043	0.3
81.03449	1.8
83.01382	0.5
83.05028	6.6
84.02165	1.3
85.02952	0.8
87.00879	0.7
89.02450	1.2
93.03484	0.5
95.05030	1.1
96.95979	0.4
96.96959	6.3
97.02919	0.4
97.06587	0.5
101.02443	1.0
107.05032	0.3
109.02876	0.3
109.06577	1.1
111.08068	0.4
113.02434	0.9
116.92866	0.7
125.02455	0.6
125.06107	0.4
125.09727	0.5
134.98495	0.8
135.08183	1.4
141.09277	0.3
149.04558	0.5
149.06047	0.6
150.06859	5.8
150.97964	0.4
151.07562	0.3
151.20325	0.3
152.99583	43.9
161.04533	0.4
163.07613	2.2
163.11292	5.7
164.08380	0.9
165.09218	0.4
165.12862	3.4
171.00635	0.9
171.10236	0.9
179.10783	3.2
181.12373	1.0
183.13835	0.4
185.11844	0.8
187.09828	0.3
191.10756	1.8
199.13358	0.4
207.10223	2.0
209.11821	100.0
210.12180	5.1
211.13371	3.4
225.11346	1.2
227.12874	7.5
235.08159	0.8
247.13338	1.0
251.12854	0.4
253.09242	1.3
335.21689	0.3
339.23389	0.5
363.12125	10.0
364.12268	0.6
373.23477	0.4
381.13232	3.0
383.22192	0.8
395.14731	10.1
396.14948	0.9
401.23172	2.0
413.15750	2.0
419.24112	0.9
445.20590	0.7
478.32919	0.9
492.34714	2.7
493.35373	11.8
494.35687	0.9
591.25757	22.3
592.26385	2.9
619.31464	1.0
623.28357	34.4
624.28607	4.7
637.32196	5.4
638.32739	0.7
655.31049	21.6
655.40411	1.9
656.31134	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	654.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.7
59.01379	1.3
60.77341	0.3
67.01886	2.8
69.03455	0.3
71.01389	2.4
71.52301	0.5
73.04682	0.3
73.06570	0.3
81.03473	0.7
83.05047	0.8
85.02956	1.3
87.00888	1.5
88.04057	1.7
91.05497	0.4
93.03458	17.5
94.03804	0.6
109.02949	0.7
111.00900	0.6
111.04522	3.0
113.02468	0.4
117.03518	0.5
117.37919	0.3
119.05032	12.6
120.05306	0.5
123.00869	1.1
124.01653	4.2
124.18256	0.3
125.02502	0.6
127.04025	0.9
132.03036	2.3
137.02435	2.6
145.02957	0.5
154.01457	100.0
155.01849	2.6
155.03476	2.8
158.67270	0.3
163.04007	12.0
173.04543	75.6
174.04897	2.7
191.05603	10.4
192.05901	0.4
203.83879	0.3
250.07161	2.9
251.05507	0.7
316.06708	26.2
317.07034	1.3
337.09271	25.8
338.09686	1.9
433.08841	0.3
459.51996	0.3
475.32840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.8
57.03404	1.2
59.01320	10.9
61.98795	0.8
69.03415	0.6
71.01379	9.4
71.53941	0.4
72.99223	1.1
73.02885	2.2
75.00820	0.4
80.33900	0.5
83.01324	1.7
85.02956	4.1
87.00850	0.9
88.98737	0.5
89.02443	5.1
90.05490	0.4
93.03397	0.7
95.01305	1.1
101.02448	6.7
110.23833	0.4
111.00811	0.4
113.02446	3.0
117.93417	0.4
119.03413	1.7
119.04963	0.8
125.02357	1.6
127.11246	0.4
135.04384	0.4
137.02327	1.0
141.09200	0.4
163.03897	0.7
177.01837	0.6
191.01903	0.4
207.10107	0.5
209.11650	0.6
311.25851	0.6
313.23877	3.8
341.26944	4.5
342.27118	0.6
357.26257	0.8
359.28009	24.6
360.28125	1.8
481.07544	0.4
503.32138	2.8
521.33276	100.0
522.25739	0.7
522.33594	12.1
522.41150	0.8
653.37604	49.9
654.37909	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	653.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03453	1.1
58.00597	1.8
59.01379	36.4
60.01719	0.3
60.52613	0.1
61.98825	0.9
62.57610	0.1
67.01887	0.2
68.99795	0.2
69.03455	2.2
71.01380	34.9
71.53102	0.2
72.01724	0.5
72.99310	2.8
73.02944	5.5
75.00871	0.7
79.07808	0.1
81.03460	1.6
83.01381	4.2
83.05033	0.5
85.02951	8.1
86.00101	0.2
87.00336	0.3
87.00877	8.1
89.02443	31.2
90.02776	0.5
91.04000	0.5
93.03455	0.3
95.01387	2.5
95.04996	0.2
97.02948	5.8
99.00872	2.1
99.04523	0.4
101.02439	29.6
102.02795	0.6
103.00346	0.3
103.04005	0.5
109.02933	0.8
111.00871	0.7
111.04516	1.1
112.01679	0.2
113.02450	14.6
114.02730	0.4
115.04003	0.6
115.56580	0.1
119.03498	9.5
120.03809	0.2
121.02984	0.4
123.00882	0.3
123.04531	0.2
124.01675	0.3
125.02445	12.9
126.02790	0.3
127.03989	0.6
129.01973	0.2
131.03513	1.6
133.05069	1.1
137.02419	0.3
139.04025	1.0
141.01930	0.6
142.02716	0.2
143.03491	5.8
144.03806	0.2
145.02962	0.3
149.02463	0.2
149.04556	1.0
155.03496	0.3
157.05045	0.2
161.04546	6.9
162.04910	0.2
167.03488	0.9
169.05052	0.4
171.02943	0.3
179.05606	5.8
180.06042	0.2
181.05003	0.2
185.04509	0.5
199.06120	0.5
203.05623	0.6
209.11877	0.3
217.07152	1.0
219.05046	0.5
221.06648	2.5
235.08206	15.2
236.08582	0.5
245.06563	0.8
253.09299	3.3
254.09430	0.2
255.23277	100.0
256.23615	7.7
259.08273	0.3
263.07733	1.3
269.24777	0.7
277.09244	0.8
287.07675	4.1
288.07990	0.2
299.53104	0.1
305.08752	4.7
306.08984	0.2
323.09766	1.8
361.11423	0.5
379.12415	1.2
397.13477	97.0
398.08432	0.2
398.13800	7.3
415.14548	34.5
416.14905	2.6
653.37573	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
56.66672	0.4
57.03428	0.8
58.00578	1.6
59.01380	35.7
61.98830	2.7
68.72641	0.4
69.03463	2.2
71.01380	34.6
72.99311	2.3
73.02943	5.5
75.00862	0.5
81.03445	1.7
83.01389	4.3
83.05032	0.5
85.02948	7.7
85.31605	0.4
86.00116	0.6
87.00877	9.3
89.02442	29.3
90.02796	0.5
92.58283	0.4
95.01395	2.7
97.02948	5.9
98.20639	1.4
99.00866	1.8
101.02443	27.5
102.02775	0.6
107.56441	0.4
111.00868	0.6
111.04518	1.0
113.02454	13.2
115.03994	0.5
119.03499	10.2
120.66734	0.4
124.01685	0.7
125.02450	12.0
131.03539	1.0
133.05037	1.0
139.04002	1.3
141.01849	0.8
143.03490	5.0
149.04529	1.1
161.04558	7.4
171.03027	0.4
173.71880	0.5
179.05606	6.3
179.48483	0.4
185.04517	0.4
199.06038	0.8
203.05705	0.4
217.07097	0.9
221.06601	1.7
235.08217	13.4
245.06613	0.6
252.16780	0.5
253.09270	3.3
255.23279	99.3
256.23621	7.4
263.07715	1.3
275.15277	0.4
277.09274	0.9
287.07748	4.3
305.08826	4.6
323.09869	1.9
361.11411	0.8
379.12537	1.1
397.13486	100.0
398.13828	7.7
415.14545	34.5
416.14734	2.7
653.37054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01373	5.6
61.98831	5.0
71.01379	6.4
72.99303	0.7
73.02942	3.4
75.00853	0.9
77.76733	0.6
83.01363	2.0
85.02959	4.1
85.03382	0.7
85.34144	0.5
86.00069	0.6
87.04507	1.3
89.02442	1.0
95.01381	1.3
99.00864	0.8
101.02440	7.0
113.02435	2.4
116.92860	0.8
125.02420	0.7
141.58800	0.6
145.53325	0.6
149.42763	0.6
161.04610	0.6
167.03345	0.6
229.18187	0.8
265.00131	0.7
389.34283	5.4
390.34097	0.6
433.33130	1.2
445.33206	0.8
526.08722	0.6
577.37207	2.6
580.03412	0.6
595.38538	21.3
596.38776	3.6
607.38477	6.4
608.38782	0.8
651.41101	100.0
652.41382	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02395	0.5
65.00329	0.6
65.42653	0.2
66.33867	0.2
78.21999	0.1
79.98679	0.2
83.01373	0.3
84.79174	0.2
88.95531	0.2
91.01894	0.3
98.20692	0.7
107.01395	1.3
108.02173	1.5
109.02950	0.2
116.92870	0.3
118.26796	0.2
121.02950	0.3
124.01633	0.3
127.38382	0.2
135.00876	0.6
140.71800	0.2
148.01663	1.4
151.00362	4.5
152.01147	0.3
163.00388	0.9
164.01141	0.7
164.02678	0.1
165.57518	0.2
173.43343	0.2
178.99864	2.7
187.04024	0.3
192.00601	0.3
198.03082	0.2
199.03911	1.0
199.05602	0.2
201.01936	0.2
203.03532	0.2
211.04024	0.6
215.03481	0.7
216.04198	0.5
226.02689	1.6
227.03494	2.2
228.03880	0.4
243.02966	10.9
244.03448	0.9
254.02242	1.7
255.02969	26.3
256.03357	1.6
271.02460	56.9
272.02896	5.2
273.03891	0.5
299.02045	2.1
300.02725	100.0
301.03229	11.9
302.03839	0.4
489.10349	0.6
505.09659	0.3
591.13739	0.2
609.14642	3.6
610.14594	0.4
651.15625	55.5
652.15991	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	651.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63304	0.4
55.01894	0.8
55.49212	0.4
57.03448	1.5
58.00605	0.7
58.97194	0.4
59.01384	13.5
61.98828	0.6
69.15867	0.4
69.49997	1.9
69.50409	0.7
71.01384	10.0
71.05025	0.4
72.99319	0.7
73.02939	2.9
78.83849	0.4
83.01411	1.2
85.02967	4.5
87.00890	0.9
89.02446	5.8
95.01394	1.2
101.02451	5.6
113.02451	3.7
113.07981	0.4
116.92892	0.7
119.03523	0.9
125.02493	0.9
163.04092	0.5
171.10390	0.6
173.04572	0.5
173.06036	0.4
177.27118	0.5
182.03584	0.4
185.11821	1.7
228.42430	0.4
260.82986	0.4
292.53638	0.4
297.24295	0.5
309.24350	1.6
311.26035	0.5
321.24307	0.5
325.23837	0.7
327.25400	8.3
328.25720	0.9
339.25372	13.1
340.25641	0.9
341.26965	2.0
357.26471	25.7
358.26627	2.2
359.84903	0.5
489.31149	0.8
501.30786	2.5
519.31738	100.0
520.32123	11.0
651.35980	49.1
652.36261	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	651.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
63.02396	0.3
65.00332	0.7
71.01380	0.3
79.42541	0.2
81.26353	0.1
83.01384	0.3
85.02924	0.3
87.00867	0.2
93.03485	0.2
107.01370	1.3
108.02183	1.8
109.02992	0.3
119.01376	0.2
121.02931	0.4
124.01695	0.3
125.02422	0.3
129.01949	0.2
135.00894	0.8
148.01643	1.3
151.00360	3.4
161.02423	0.2
163.00391	0.7
164.01112	0.6
169.01425	0.2
174.03180	0.2
178.99864	2.2
183.04501	0.3
187.04004	0.2
191.05377	0.2
192.00635	0.4
199.03966	0.7
201.01962	0.3
211.04008	0.5
215.03485	0.7
216.04271	0.7
226.02695	1.3
227.03532	2.7
228.03918	0.2
229.01321	0.3
229.04886	0.2
243.02974	10.4
244.03542	0.7
254.02173	1.9
255.02977	26.2
256.03369	1.6
271.02463	54.7
272.02945	4.4
273.03915	0.3
283.02371	0.3
299.02011	1.8
300.02731	100.0
301.03259	9.1
302.04007	0.2
489.10004	0.2
505.09445	0.2
591.14001	0.3
609.14642	9.4
610.14960	1.3
651.15625	54.3
652.16010	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	645.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	16.0
59.01376	1.3
61.98825	1.6
67.65335	0.5
71.01388	0.7
71.52876	0.5
77.04043	0.5
81.03442	1.5
83.01374	3.6
84.57916	0.5
85.02949	0.6
93.03446	0.9
95.05004	2.5
96.96005	0.9
99.92595	0.6
101.02466	0.7
105.03462	4.7
109.02943	1.0
115.92101	0.5
116.92871	4.6
121.02998	0.6
122.30980	0.6
125.02446	100.0
126.02779	2.2
133.02945	1.6
137.02443	5.2
149.02435	1.4
151.03966	0.6
161.02437	43.6
162.02869	2.1
165.01904	0.7
166.02649	0.8
171.04581	0.5
171.10385	0.5
175.04071	0.7
177.05557	3.5
185.11771	1.5
197.06038	0.6
197.11821	1.6
199.04031	0.5
199.09731	0.5
199.13493	3.2
201.01993	0.4
201.05580	2.2
203.03409	0.6
209.11804	6.4
210.12126	0.7
219.06662	1.0
220.44330	0.5
225.05557	1.2
227.03429	0.7
227.12897	0.7
229.01418	0.5
235.08150	0.5
243.06612	1.3
253.09219	0.8
269.04620	4.4
287.05649	9.3
288.05960	0.8
297.24258	0.7
305.06610	3.0
309.24265	0.7
327.25360	5.8
339.25473	1.3
355.24551	0.6
357.26443	95.6
358.26874	8.2
373.26215	0.6
400.51294	0.6
479.30017	0.6
507.29749	1.3
518.39319	0.5
645.32837	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	645.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	6.4
59.01374	1.3
61.98833	2.5
69.46931	2.7
71.01378	0.6
74.62885	0.5
81.03455	1.7
81.79488	0.4
83.01389	3.2
85.02978	0.4
89.20979	0.5
93.03476	1.0
95.01408	0.4
95.05014	1.1
96.96022	1.0
97.02945	2.1
98.19904	0.8
104.84838	0.4
105.80259	0.4
109.02957	6.7
109.92461	0.4
111.00877	1.0
116.92853	1.7
121.02946	0.9
122.03715	0.5
123.04514	4.8
123.08221	0.5
125.02445	29.3
125.09733	1.4
126.02776	0.9
127.11269	1.1
135.04517	0.9
137.02448	19.6
137.09695	1.8
139.04005	1.1
141.09212	0.7
145.02946	6.9
146.03682	1.4
149.02461	4.6
150.03214	0.8
151.04037	3.8
155.10822	1.0
158.02689	0.4
159.04535	3.2
160.05350	0.6
161.02441	1.0
161.06085	4.0
161.97035	0.4
162.03154	0.5
163.03920	0.9
164.01109	1.2
165.01900	2.2
167.03555	1.2
171.10243	4.1
173.00911	0.4
173.04568	0.5
173.06065	0.4
175.07582	0.9
179.03543	2.0
183.04565	1.0
185.06151	2.1
187.03995	3.6
188.04823	1.2
191.03490	0.6
197.11871	0.7
199.07317	0.5
199.13454	0.8
201.05534	1.1
201.15067	0.6
202.06308	1.0
203.07144	5.6
205.05017	2.9
209.06006	0.5
209.11809	1.7
211.04021	1.0
211.13365	1.5
215.12808	0.8
227.07123	1.8
227.12874	0.7
229.05035	1.3
229.14467	0.5
230.05595	0.5
230.15173	0.5
245.08145	6.5
246.08423	0.5
253.05022	4.6
256.03488	0.4
271.03122	0.9
271.06110	18.3
272.06436	0.6
289.07175	43.6
290.07529	2.5
343.24933	0.7
355.24884	0.9
371.24252	0.8
373.25931	100.0
374.26242	7.7
447.11340	0.5
451.31271	0.6
467.34241	0.5
495.29633	8.8
496.29834	1.3
507.29568	2.2
508.29849	0.6
601.33789	3.4
645.22809	0.5
645.32660	11.2
646.32953	1.7
662.93878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15585	0.8
69.58037	3.5
69.58447	1.8
77.95659	0.8
85.02949	1.3
107.01424	1.0
108.02222	1.2
148.01656	1.7
151.00371	4.4
178.99881	2.5
191.01912	1.4
226.02754	1.0
227.03473	2.5
243.02989	6.4
254.02170	1.5
255.02986	27.5
256.03391	1.1
271.02475	46.7
272.02917	4.3
284.03143	1.7
299.01938	1.2
300.02737	100.0
301.03275	12.3
477.59589	1.0
609.14618	97.6
610.15076	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	645.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66021	0.7
55.01867	1.9
57.03445	11.9
58.44942	0.6
59.01378	9.4
68.99816	1.0
71.01382	10.2
71.53426	0.7
72.99310	2.0
75.00864	3.5
81.03445	1.0
83.01399	3.3
83.43473	0.7
84.02176	2.4
85.02950	98.1
86.03297	1.1
87.00864	2.3
89.02432	1.4
96.96001	1.6
99.00882	0.8
101.02445	1.2
103.00378	2.6
111.00869	7.6
115.00366	2.4
125.02444	5.1
129.01955	20.6
132.31664	0.8
133.01395	3.3
137.02466	4.1
147.03001	18.6
151.03963	0.7
165.01878	3.4
167.03490	5.3
173.00917	2.9
173.04521	1.1
191.01971	100.0
192.02269	3.4
196.05408	0.7
197.06056	2.5
201.05539	0.9
209.03027	24.0
210.03256	0.8
213.05574	2.2
214.06430	1.3
215.07085	10.3
217.05055	3.6
224.04869	0.7
225.05518	4.1
227.03505	2.1
228.04292	1.0
237.05623	0.8
241.05061	3.2
243.02931	0.8
243.06601	10.6
244.06960	0.7
253.05074	1.0
254.05775	0.7
255.06696	1.6
267.03088	0.8
271.06210	1.8
281.08218	0.9
283.06107	1.0
285.03943	1.6
287.05621	4.7
295.09702	0.9
300.02838	0.7
315.05139	4.8
327.05264	1.2
367.08231	0.8
391.08273	2.0
409.09238	7.6
435.07327	3.1
453.08252	22.1
454.08801	2.5
535.08917	0.9
547.21118	0.6
548.84070	0.7
627.09894	1.6
645.10785	11.4
646.11530	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	645.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
57.03450	12.3
59.01379	8.1
60.32191	0.6
68.99828	1.1
69.31405	3.7
71.01383	8.5
72.99309	2.4
73.02938	0.6
75.00868	3.3
77.39726	0.5
83.01389	3.9
84.02174	2.6
85.02952	100.0
86.03285	1.6
87.00876	3.0
89.02463	1.6
93.03445	0.6
96.96017	1.4
99.04498	0.8
101.02453	0.8
103.00381	2.0
109.02921	0.7
111.00883	5.3
115.00354	1.7
119.05022	2.1
121.02949	0.6
123.04526	0.5
125.02415	4.0
129.01949	19.2
133.01427	2.7
133.37477	0.6
137.02448	5.2
145.02895	1.1
147.03003	14.7
163.04016	2.2
165.01942	3.5
167.03497	6.0
169.06541	0.8
173.00917	4.4
173.04565	1.7
173.06017	0.8
185.05917	0.5
187.07657	0.6
191.01974	94.2
192.02335	2.5
197.06078	4.8
199.04059	0.7
201.05496	0.7
209.01013	1.2
209.03027	24.3
210.03296	0.7
212.04773	0.8
213.05548	2.0
214.06172	0.9
214.12314	0.6
215.03624	0.8
215.07130	11.0
216.07484	0.7
217.05040	4.7
225.05579	5.1
227.03470	3.1
228.04213	0.8
229.01329	0.6
237.05573	1.0
239.03349	1.1
241.05090	4.1
243.06612	15.0
244.06868	0.7
253.04988	1.2
254.05684	0.6
255.06630	1.3
259.06030	1.0
265.05051	1.2
267.03043	1.0
269.04593	1.4
271.06097	1.8
281.08160	0.6
283.06076	1.8
287.05573	5.1
288.06158	0.6
304.07437	0.5
305.08176	1.1
315.05136	5.5
322.32462	0.6
327.05276	0.6
345.07153	0.7
347.09186	1.1
349.06967	1.0
363.08517	0.8
367.08408	1.3
391.08218	2.1
409.09357	7.0
417.06046	0.8
435.07068	3.9
436.08340	0.6
453.08267	25.7
454.08597	3.5
483.13074	0.6
583.11255	0.9
627.09662	2.1
628.09125	0.6
645.10754	16.9
646.11310	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	643.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.3
57.46192	0.1
58.00599	0.2
59.01379	2.9
61.98836	0.8
65.02652	0.2
67.13013	0.2
69.03480	0.5
69.26040	0.2
71.01380	2.2
71.05036	0.3
73.02963	0.4
80.02687	0.8
81.03463	1.0
81.43598	0.2
83.01406	0.3
83.05027	4.1
84.02167	0.8
85.02951	0.8
87.00880	0.5
89.02440	2.1
95.05049	0.7
96.96015	0.3
97.06590	0.3
99.00920	0.2
101.02436	2.5
108.16234	0.2
109.06605	0.2
113.02464	1.5
116.92827	0.9
119.03526	0.4
125.02477	0.6
125.06088	0.4
125.09746	0.2
127.11349	0.2
129.01891	0.4
135.08195	0.6
139.03992	1.7
143.03516	0.2
145.05034	0.4
153.09178	0.3
153.12808	0.8
161.04530	1.2
163.11288	3.1
164.11617	0.2
165.12828	2.1
166.13213	0.2
167.03580	0.2
169.12341	3.6
171.10255	1.0
179.03899	0.1
179.05556	0.5
179.10788	0.5
181.12360	0.6
183.10242	0.8
191.10820	0.7
197.11823	68.0
198.12149	3.2
199.13405	0.6
201.11400	0.7
209.11816	100.0
210.12157	5.2
211.13351	0.3
223.13403	0.7
227.12880	15.2
228.13129	0.8
235.08206	2.2
235.13380	0.7
241.70007	0.2
253.09274	8.5
254.09624	0.3
269.04517	0.4
307.98538	0.2
371.22159	0.2
389.23077	0.5
407.24170	0.3
415.19516	0.5
417.24585	0.2
433.20767	1.9
434.20697	0.2
445.20804	2.0
463.21725	0.5
515.31738	0.2
607.31348	1.0
625.32635	0.8
643.33008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71267	0.7
57.03450	6.5
59.01372	1.5
59.11917	0.6
61.98833	3.8
68.99561	0.7
69.03436	0.9
71.01376	1.7
71.53867	0.8
73.02970	1.3
78.95892	1.0
81.03465	2.1
83.01390	3.0
83.05027	0.9
85.02956	0.9
88.98810	0.6
93.03455	0.7
95.05025	1.7
96.95999	0.9
97.02975	1.3
101.02432	0.9
109.02950	6.6
111.00835	1.0
112.98562	1.4
116.92842	1.3
117.03448	0.9
121.02962	1.3
123.04574	4.7
125.02450	23.9
125.09734	1.6
135.04504	1.0
137.02437	18.7
139.04028	1.6
139.11279	0.6
145.02974	5.5
146.03706	1.8
149.02422	4.5
150.03165	0.7
151.04041	4.3
152.25967	0.6
159.04492	3.5
161.06030	3.1
163.11301	0.9
165.01936	2.4
167.03508	1.3
169.12308	0.8
171.10263	5.5
175.03963	0.9
177.01854	0.8
179.03485	1.9
185.06081	1.9
187.03999	3.5
188.04802	1.5
197.11835	10.6
201.05627	1.1
202.06386	1.0
203.07167	4.9
205.05026	2.9
207.10260	1.2
209.06152	1.1
209.11816	12.7
212.04781	0.8
221.08257	0.8
226.71759	0.7
227.07132	1.9
227.12836	3.0
228.13727	0.8
229.04974	1.4
230.02184	0.8
235.08318	0.7
245.08118	8.0
253.04990	3.2
253.09215	1.6
271.06119	16.0
272.06534	0.7
289.07175	40.4
290.07504	2.3
341.23328	5.7
353.23328	1.7
369.23019	0.7
371.24362	100.0
372.24820	8.8
493.28082	9.5
494.28369	1.2
495.73923	0.7
495.90344	0.7
505.28070	2.3
575.59399	0.7
599.32172	2.9
625.30658	0.8
643.30597	9.0
644.31268	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	643.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08678	0.5
57.03430	1.2
58.00578	0.4
58.22718	0.4
59.01378	9.1
61.98822	1.2
66.37918	0.4
69.03475	0.6
69.20535	4.2
71.01385	4.9
81.03451	0.9
83.01373	3.9
85.02955	1.6
89.02449	4.3
89.75474	0.4
93.03458	1.9
95.01393	1.4
96.96004	2.3
97.02947	3.7
97.53074	0.4
101.02454	2.6
108.02166	1.0
109.02957	7.1
111.04479	0.4
113.02457	2.1
119.03516	1.0
119.05016	0.4
121.02934	3.4
122.02927	0.6
122.03742	8.7
123.04535	5.3
124.01646	2.7
125.02444	7.3
135.00836	0.8
135.04524	1.2
136.01672	1.1
137.02446	21.8
138.03157	1.7
139.04010	1.9
145.02985	0.7
146.03705	1.5
148.05273	0.5
149.02432	3.1
150.03241	0.6
151.04015	3.3
154.02722	1.9
159.04526	1.6
161.02432	1.2
161.06108	3.6
162.03215	1.4
163.03996	1.4
164.00137	0.4
164.01175	5.2
165.01926	30.3
165.05577	0.7
166.02351	1.3
167.03616	0.5
169.01418	0.7
175.03993	1.1
175.07602	0.5
177.05553	1.9
179.03474	3.9
185.06131	0.6
187.02522	0.4
187.04028	1.6
189.68028	0.5
201.05629	1.0
202.06267	0.8
203.03322	0.5
203.07132	6.3
204.04347	0.9
205.03300	0.8
205.05045	7.9
229.04959	0.8
231.02859	0.6
243.06943	0.5
244.07332	1.2
247.06140	1.5
269.50473	0.4
288.06430	1.7
289.07108	0.6
419.22214	3.0
479.22485	2.1
491.22839	3.2
599.28400	1.5
643.27563	100.0
644.27917	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83356	0.4
57.03433	0.5
57.74844	0.4
59.01379	7.9
69.24142	0.5
69.45435	3.0
71.01385	4.4
83.01369	3.1
85.02957	1.2
89.02450	3.9
92.84178	0.4
93.03459	1.0
93.79662	0.4
95.01396	1.1
95.05046	0.7
96.95993	0.4
97.02954	3.2
101.02456	3.1
108.02153	1.3
109.02955	7.6
113.02425	1.9
119.03455	1.1
119.05025	1.0
121.02959	2.6
122.02914	0.6
122.03746	8.6
123.00916	0.6
123.04543	5.4
124.01660	2.5
124.32177	0.5
125.02413	1.5
135.04523	1.4
136.01669	0.7
137.02444	22.6
138.03247	0.8
139.04008	1.6
145.02951	0.9
146.03729	0.8
147.80217	0.4
149.02428	2.9
149.06049	0.6
150.03233	1.1
150.88969	0.4
151.04031	2.8
152.32841	0.5
154.02763	1.1
159.04436	2.1
161.02428	1.0
161.06076	4.0
162.03233	1.0
163.00368	0.5
163.04005	2.5
164.01164	3.9
165.01927	32.2
165.05540	1.1
166.02411	0.8
175.03922	1.0
175.07570	0.4
177.05551	1.6
179.03551	2.8
187.04005	1.8
188.04716	1.1
201.05569	1.3
203.07140	5.7
204.04291	0.8
205.05034	9.2
206.05336	0.9
209.11768	2.4
227.12885	1.1
231.02913	0.5
243.06909	0.6
244.07397	1.6
247.06097	1.5
265.72318	0.4
288.06317	1.6
419.22232	3.6
444.62787	0.5
460.30499	0.5
479.22330	1.4
491.22821	2.1
533.24152	0.8
557.98450	0.6
599.28442	1.3
643.27557	100.0
644.27893	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	642.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98830	100.0
70.88981	0.2
71.51524	0.2
74.58091	0.2
78.95908	0.7
96.77987	0.2
104.88226	0.2
116.07844	0.2
117.27256	0.2
121.81964	0.2
137.43521	0.2
152.99599	0.6
160.91785	0.2
197.91365	0.2
211.13432	0.7
277.21695	0.4
280.86053	0.2
295.22900	0.3
323.58868	0.2
431.22235	0.3
643.36102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60822	0.9
55.06923	0.9
59.01369	2.8
63.76176	0.9
67.01884	5.5
69.32861	7.9
71.01376	2.7
81.03474	1.9
83.05048	1.6
85.02954	7.0
87.00873	1.7
93.03454	25.3
98.20641	2.2
109.02941	2.8
111.04505	6.0
127.04014	2.3
133.02963	2.3
134.03726	4.0
134.84886	0.9
135.04526	69.1
136.04817	1.7
137.02419	6.4
155.03468	4.2
161.02426	3.4
173.04539	100.0
174.04872	3.7
179.03491	66.3
180.03784	2.4
191.05614	46.6
192.05898	1.4
205.04887	1.1
232.82112	1.1
289.07202	1.6
348.34198	1.1
353.08749	89.7
354.09265	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	643.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
59.01372	1.2
68.17168	0.4
70.52442	1.0
71.01385	0.5
72.97151	0.4
81.03453	0.5
83.01417	0.6
85.02946	3.0
87.00893	0.9
89.02477	0.4
93.03455	2.5
97.21127	0.4
98.47856	0.4
109.02979	0.5
111.04528	2.4
116.72227	0.5
119.05025	48.8
120.05384	1.5
125.02448	2.8
127.03981	0.6
129.01950	0.9
135.04437	0.7
137.02448	2.2
138.97418	0.5
145.03009	0.4
147.03033	0.6
151.00298	0.5
153.01894	0.6
155.03505	2.9
163.04004	100.0
164.04358	3.7
165.01872	0.5
173.04506	4.9
179.03484	1.1
191.02031	0.9
191.05597	20.3
196.00438	0.4
219.06696	0.6
275.05750	0.6
293.06482	0.8
305.06613	3.0
306.07095	0.5
337.09259	45.2
338.09390	2.6
481.10083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.1
59.01377	1.3
61.98815	0.1
68.54359	0.1
69.03456	0.3
70.39898	0.3
71.01386	1.4
73.02950	0.3
79.20296	0.1
83.01398	0.2
83.05045	0.3
85.02953	0.3
87.00864	0.3
89.02431	1.1
95.01401	0.1
97.06568	0.1
101.02439	1.2
105.56804	0.1
113.02439	0.5
119.03516	0.4
120.07530	0.1
137.09760	0.1
143.03494	0.2
145.05099	0.2
155.10774	0.2
161.04543	0.6
165.12772	0.2
167.10774	0.3
167.14398	0.7
175.11327	0.1
179.05621	0.2
181.12329	0.1
183.13902	6.0
184.14265	0.3
193.12341	1.6
209.11749	0.1
211.13391	100.0
212.13736	4.7
213.15039	0.1
231.17345	0.1
235.08209	1.6
249.77980	0.1
250.02655	0.1
253.09282	3.5
327.06424	0.1
387.25427	0.4
405.26349	0.3
429.21094	0.9
447.22354	5.9
448.22559	0.6
623.34198	1.1
641.35608	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.2
59.01109	0.2
59.01379	1.4
59.03493	0.2
61.98827	0.6
70.04191	0.9
71.01379	1.3
73.02940	0.5
83.05029	0.4
85.02953	0.4
87.00852	0.3
89.02459	1.2
98.19972	0.2
101.02439	1.2
113.02446	0.9
155.10753	0.3
161.04567	0.7
167.10672	0.3
167.14417	0.5
175.25336	0.3
179.05653	0.3
183.13898	7.1
193.12337	1.6
211.13387	100.0
212.13750	4.8
235.08232	1.5
253.09291	4.3
387.25427	0.5
405.26495	0.5
429.21234	1.0
436.46579	0.2
437.45267	0.2
447.22333	6.0
448.22693	0.3
623.34540	0.8
641.34882	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	641.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04772	0.6
50.20845	0.9
53.79244	0.7
57.03448	4.6
58.53428	0.7
59.01370	4.5
61.98833	5.6
71.01385	2.6
71.53884	1.2
78.95903	100.0
80.02692	1.3
81.03456	2.8
83.01406	2.3
83.05023	5.9
84.02146	1.0
85.02950	2.4
87.00870	1.1
88.98824	1.8
89.02440	1.0
90.80841	0.8
93.03457	2.4
96.96001	1.9
96.96972	7.9
97.02972	0.7
101.02430	1.4
109.02937	2.0
111.00912	0.8
113.02465	1.5
114.62594	0.8
116.92869	2.2
119.03530	0.9
119.05037	1.0
121.02864	1.1
124.01640	0.9
125.02448	32.4
125.09733	1.2
126.02818	1.0
127.11304	1.9
135.00870	1.0
135.08162	1.1
137.02414	2.9
149.02434	1.4
151.04018	2.0
152.99582	62.2
153.99922	1.0
155.10757	1.5
161.02400	1.3
163.04013	1.1
163.11284	5.5
165.01901	2.2
165.12862	2.2
167.03442	1.9
168.00581	1.1
169.01424	2.2
171.10260	1.0
173.04556	1.6
177.02017	1.8
178.38869	0.7
178.99886	2.1
179.03386	0.9
181.12485	0.8
191.01756	1.1
191.10811	1.4
197.00789	0.8
201.11316	18.8
202.62730	0.8
209.11823	96.5
210.12114	4.8
211.13123	0.8
218.58997	1.0
227.12901	9.0
243.02834	1.2
250.41150	0.7
250.43750	0.7
269.10828	0.8
289.07117	1.6
313.49026	0.9
363.12207	10.0
371.24554	4.6
381.13150	8.7
395.14691	5.7
399.14044	1.1
413.15637	1.6
478.16599	1.3
479.21097	1.8
565.23999	2.2
591.25763	19.4
592.25909	2.1
597.26630	1.5
603.24811	1.0
609.26721	34.9
610.28076	4.6
623.28418	14.4
624.28656	2.4
641.29321	60.6
642.30035	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	640.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40015	0.2
52.74833	0.2
59.01381	0.4
61.98830	100.0
70.18835	0.6
70.19225	0.4
73.39703	0.3
75.09574	0.2
78.95902	0.9
84.89878	0.2
91.24284	0.3
95.90378	0.2
152.99654	0.7
155.90446	0.3
202.85681	0.3
211.13434	1.4
216.50404	0.3
239.33081	0.2
446.13974	0.3
576.89075	0.3
641.34912	0.3
669.95026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.6
63.02412	0.6
65.00304	0.7
66.61384	0.6
69.17229	5.9
72.99290	0.8
83.01411	1.0
85.02946	1.7
103.45474	0.6
107.01381	2.6
109.02938	1.7
125.02430	2.0
129.07097	0.8
137.02446	4.6
151.00362	13.1
152.01118	0.8
163.00388	1.1
164.01141	1.0
173.05977	1.2
175.81984	0.6
175.83646	0.6
177.01912	0.7
178.98267	0.8
178.99855	14.3
187.04141	1.3
191.01881	0.9
191.03516	0.7
193.01320	1.1
199.03954	1.8
201.01996	0.6
203.03474	5.2
207.89594	0.6
214.02698	1.8
215.03455	4.6
217.01277	0.8
217.05025	0.7
223.61600	0.8
231.02975	4.4
235.06064	3.9
242.02177	1.6
243.02995	7.1
244.23657	0.6
259.02444	13.6
260.03027	0.9
270.01648	1.6
271.02469	20.6
272.02786	1.0
287.01953	24.4
288.02396	2.1
289.06964	0.7
301.03644	0.6
315.01468	46.7
316.02200	56.8
317.02954	33.3
318.03357	1.9
329.02893	1.5
478.07504	16.0
479.08270	36.6
480.08572	3.3
641.13550	100.0
642.13849	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	639.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51347	0.7
54.61788	0.6
55.01875	1.0
57.03439	2.8
59.01380	22.9
61.98829	5.6
65.03958	1.9
71.01012	1.4
71.01381	22.4
71.52673	1.1
72.99297	2.2
73.02948	5.5
75.00878	0.7
78.34821	0.7
78.95905	23.6
80.02697	1.0
81.03455	1.5
83.01392	3.7
83.05027	8.9
85.02950	7.4
85.06598	2.2
86.00085	1.0
87.00878	8.5
87.04467	0.9
89.02449	10.2
91.05532	1.7
92.49284	0.8
93.03439	1.7
95.01374	2.6
95.05013	2.5
96.96966	2.6
97.02962	1.1
97.06612	3.6
99.00835	1.7
101.02448	14.4
103.04002	0.8
105.07059	1.5
107.05047	1.6
109.06574	3.7
111.04529	1.0
111.08130	4.9
113.02451	9.7
116.92844	1.6
119.03501	1.5
119.05019	1.8
119.08672	0.8
123.08151	3.1
125.02433	3.1
125.09718	11.9
126.90470	3.8
127.11243	1.1
127.78210	0.8
129.01981	0.9
133.05022	1.3
133.06618	0.9
135.08159	2.0
137.09695	2.6
143.03487	1.8
145.05061	4.3
149.09737	0.7
151.11244	1.2
152.99585	16.3
153.09215	1.0
161.04619	3.8
163.07640	1.2
163.11299	1.9
165.12845	1.5
167.14360	0.8
171.10271	64.6
172.10597	2.1
179.05556	2.0
183.13893	4.4
185.11787	1.3
187.15060	1.6
189.16376	1.2
193.12297	1.1
201.12836	1.2
205.15970	5.2
207.13942	0.8
209.11823	44.4
210.12184	1.5
211.13393	55.2
212.13715	2.9
213.12807	0.9
215.14442	8.7
219.10133	1.1
221.15453	3.7
227.12907	2.1
231.13911	5.9
232.14255	0.9
233.15466	35.4
234.15826	3.0
235.08226	9.2
235.13368	2.2
237.14822	1.1
239.16608	1.3
239.74719	0.8
247.17035	1.8
249.14951	34.2
250.15280	1.4
251.16440	1.3
253.09224	6.5
257.17599	1.1
266.29825	0.7
291.16229	0.9
313.25388	1.1
318.41635	0.8
323.23706	1.2
331.26367	3.3
339.23135	1.2
341.24835	5.7
347.12518	2.0
357.24271	1.7
359.25797	2.3
363.12070	2.1
365.13446	0.9
367.22668	3.7
375.25464	5.0
379.15262	3.7
381.13165	1.2
385.23868	29.4
386.24130	2.9
393.26501	2.3
395.14810	3.3
397.16260	1.0
403.24893	47.4
404.25259	5.8
407.19131	2.5
421.25980	14.5
445.20398	1.1
447.22586	2.2
467.22778	1.2
476.34888	1.4
477.28653	1.4
477.35309	0.8
485.23654	4.5
486.24536	1.2
575.26208	9.7
593.33661	1.0
603.31451	0.9
607.28845	9.5
608.29156	1.0
611.34320	4.1
621.32794	100.0
622.33069	18.1
639.33795	74.2
640.34167	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	639.1195
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
54.03313	0.3
57.03433	1.2
59.01370	1.7
60.79840	0.3
63.02394	0.4
65.00328	0.7
69.47063	1.0
69.47478	1.1
69.76069	0.4
71.01362	1.9
73.02952	0.4
79.54703	0.3
81.03457	0.7
83.01391	1.2
85.02959	2.4
87.00833	0.5
89.67138	0.4
93.03461	0.3
95.01395	0.7
96.96889	0.4
98.20612	0.6
99.00876	1.1
101.13047	0.4
107.01364	2.1
108.02207	0.6
109.02956	1.1
111.45415	0.3
113.02457	2.1
119.05012	0.5
121.02932	0.6
123.04549	0.6
124.01688	0.4
125.02450	3.4
137.02441	1.3
148.01729	0.4
149.02414	0.5
151.00377	6.7
155.23308	0.3
158.32527	0.4
161.02420	0.9
163.00395	1.5
163.03989	1.1
164.01051	0.6
165.01936	0.5
167.03493	3.1
169.01401	0.6
171.04462	0.5
175.02449	0.8
175.03934	0.7
178.99823	3.7
179.03496	0.5
183.04460	0.4
187.03978	0.6
188.04729	0.5
190.02718	0.6
191.03568	0.5
199.04065	0.9
205.05040	0.5
209.03044	0.5
211.03954	0.7
215.03461	0.7
216.04277	0.9
226.02733	3.7
227.03528	3.4
228.04211	0.5
239.03448	0.5
241.01311	0.5
241.04980	0.6
243.02968	9.4
244.03488	1.0
254.02234	4.9
255.02963	6.5
257.04587	0.8
267.02969	0.6
267.06610	0.4
267.78101	0.4
271.02469	49.2
272.02972	4.8
273.04129	0.8
279.68527	0.4
281.04330	0.5
283.02454	0.9
285.03839	0.7
289.07330	0.8
299.01996	0.9
300.02744	66.8
301.03442	21.8
302.03778	1.5
307.06195	0.4
313.03384	0.8
314.04349	0.4
342.03812	1.0
343.04611	1.2
405.06055	1.1
407.07764	0.5
463.08817	100.0
464.09155	8.5
469.07660	0.8
471.09344	0.6
477.06476	0.8
505.10007	2.4
533.09485	0.6
535.11078	3.0
559.11133	1.1
577.12701	0.6
639.12091	16.7
640.12317	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	638.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54771	0.4
57.03440	0.8
59.01384	2.2
60.99302	0.8
66.91655	0.5
67.01884	2.7
68.29889	0.4
69.03420	0.5
70.79185	0.7
70.79484	0.6
71.01381	3.6
74.12065	0.4
75.00863	0.6
81.03457	0.7
85.02952	3.1
87.00869	1.6
87.94514	0.4
93.03460	21.0
94.03793	0.9
98.19967	0.5
99.81734	0.4
102.38229	0.4
102.38905	0.5
109.02940	1.7
111.00901	1.0
111.04513	4.1
113.02477	1.0
115.00397	0.4
119.05027	14.8
120.05346	0.6
120.99641	1.3
125.02433	1.8
127.03937	0.5
129.02000	0.5
132.02991	0.6
137.02452	5.4
145.02914	0.8
155.03502	3.2
163.04015	13.0
165.01898	0.4
167.03563	2.8
173.04544	100.0
173.54782	0.4
174.04855	3.2
175.04056	0.5
191.01970	0.5
191.03841	0.5
191.05598	14.5
205.05257	0.6
250.07216	0.9
255.02876	0.6
285.03870	1.2
286.04324	1.2
298.04697	0.7
299.05399	0.5
301.03476	1.7
319.91284	0.5
337.09277	35.7
338.09695	2.3
405.06064	0.5
445.07642	0.9
462.11575	0.5
621.12842	0.5
638.14252	0.7
639.13177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42378	1.0
53.37410	0.9
54.13765	1.0
57.03424	2.1
59.01381	10.1
61.98824	9.9
62.43987	1.1
65.03957	3.7
69.03458	1.3
69.14996	1.1
71.01386	12.1
71.19724	1.1
72.99324	1.2
73.02959	2.8
82.26043	1.0
83.01402	2.0
83.05013	1.4
85.02946	3.5
87.00874	4.8
89.02448	5.0
91.05512	1.2
95.01367	1.5
97.06581	2.8
101.02464	9.0
109.06599	2.8
113.02432	4.7
115.05563	1.4
123.08160	1.2
125.09712	9.4
135.08151	1.8
139.87997	1.0
145.05070	1.3
161.04530	2.3
163.11243	1.2
179.05415	1.4
180.09479	1.1
185.11798	1.9
187.14883	3.9
205.12326	1.4
207.10222	3.0
209.11824	14.3
211.13306	1.7
213.12767	5.3
231.13861	11.7
234.14105	1.1
235.08263	1.7
249.15005	2.4
339.23206	2.6
355.22546	1.7
365.21112	2.4
373.23868	2.9
383.22351	13.6
384.22772	1.2
401.23285	14.0
419.24472	3.0
534.35571	1.1
588.76874	1.1
619.31201	100.0
620.31458	15.7
637.32190	27.2
637.41968	2.3
638.32501	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	637.1407
Annotation	Kaempferide 5-glucoside-7-glucuronide
Peak:m/z	Relative Intensity
50.03959	1.0
55.01856	1.8
57.03433	4.9
58.02957	1.5
59.01114	1.4
59.01377	20.0
70.70220	2.6
71.01379	24.5
72.99297	3.9
73.02937	2.7
75.00858	8.2
83.01363	1.5
85.02947	42.5
87.00882	8.7
89.02420	3.0
93.03459	1.7
95.01384	12.4
96.92627	1.0
96.96017	7.0
96.96902	1.0
99.00890	15.0
101.02408	1.8
103.00369	7.6
103.00956	1.3
104.04682	1.0
108.84225	1.0
111.00867	2.1
113.02448	79.1
115.00357	4.0
117.01933	7.0
119.05090	1.5
125.02427	1.5
129.01939	4.4
133.02950	1.3
147.04501	3.5
157.01369	1.8
163.03949	1.6
164.07159	11.2
165.07533	1.5
173.04506	3.5
175.01022	2.2
175.02484	31.3
175.03995	1.4
191.05557	3.9
202.22537	1.1
206.08226	15.7
207.08450	4.0
220.73392	1.1
227.06955	1.5
251.11322	2.7
255.02988	37.2
256.03732	5.4
268.03751	2.8
269.04523	14.9
281.04584	2.1
283.02475	39.0
284.03220	50.7
285.03961	19.2
297.04010	38.7
298.04788	59.1
299.05582	100.0
300.05786	6.8
312.06396	1.3
313.03064	1.2
341.06583	4.5
456.34485	1.3
461.10986	96.3
462.11472	5.6
475.08841	28.1
476.09048	3.4
503.11700	2.1
517.09546	1.6
637.13965	51.5
638.14020	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	637.1047
Annotation	Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]
Peak:m/z	Relative Intensity
55.18917	0.3
57.03439	0.5
59.01382	2.2
63.02397	0.4
63.61715	0.2
65.00317	0.5
69.03430	0.3
69.13347	0.3
71.01378	2.1
72.99323	0.4
83.01386	0.6
85.02965	2.5
87.00874	1.2
89.02454	0.9
89.33589	0.3
93.03457	0.4
95.01378	0.5
96.95999	1.0
98.19936	0.6
99.00861	0.8
107.01382	0.9
113.02446	2.3
113.04427	0.3
113.05900	0.3
121.02969	0.6
125.02400	0.3
129.01935	0.4
131.03642	0.3
133.02956	5.0
137.02484	0.3
138.01944	0.7
149.02414	1.4
151.00348	3.3
163.03976	0.4
171.04501	0.3
175.02556	0.6
175.03944	2.0
178.04320	0.3
185.06090	0.3
191.05673	0.3
197.06015	0.3
199.04019	1.9
201.01996	0.4
213.05637	0.4
217.05038	1.1
223.04103	0.4
229.05174	0.3
239.03458	0.3
241.05101	0.5
243.02911	0.6
255.03008	0.6
256.03778	0.3
257.04510	0.5
271.02435	0.4
284.03320	1.1
285.04044	100.0
286.04401	6.2
297.03928	0.3
300.02576	0.4
327.05139	0.8
357.06201	0.4
388.21521	0.3
445.27249	0.3
445.33005	0.3
461.07248	52.2
462.07614	5.4
479.08469	0.3
573.81360	0.3
577.28674	0.5
595.42017	0.3
599.11395	0.3
637.10315	3.0
637.20209	0.3
638.11108	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08881	0.5
57.03446	0.8
64.19765	0.5
69.52839	2.5
83.05019	1.0
85.06579	1.0
91.82304	0.5
115.63693	0.6
123.08160	14.4
124.08496	0.6
124.64235	0.6
135.08147	2.5
135.11829	0.6
145.92067	0.5
173.09669	1.0
175.14940	1.1
227.18024	0.6
255.17526	0.7
269.19101	9.5
270.19571	1.2
271.20679	3.0
315.19638	100.0
316.19940	11.8
317.20270	2.3
381.22372	0.5
535.22180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.3
57.03446	3.8
59.01381	51.9
60.01719	0.8
61.98816	1.4
69.03434	0.8
69.56191	3.5
71.01385	23.5
72.99313	1.5
73.02945	9.2
83.01389	3.2
85.02952	11.4
87.00860	2.7
89.02451	10.6
93.03413	0.8
95.01377	2.3
96.96004	2.6
97.02954	1.3
98.20725	1.0
98.27784	0.6
99.00888	7.0
101.01803	1.0
101.02448	17.0
111.00862	1.4
111.04498	1.1
113.02460	12.2
119.03506	1.0
119.05020	1.0
125.02465	3.8
129.01918	1.5
131.03494	1.9
137.02408	1.1
143.03484	1.3
149.04561	17.7
155.03476	0.9
159.02974	2.5
161.04568	11.0
163.03954	0.8
167.03444	0.7
173.04478	1.7
177.01854	0.6
179.20892	0.6
191.01917	0.7
191.05580	0.8
209.08191	1.0
215.86699	0.6
217.03510	0.8
255.19666	9.5
351.21744	0.9
399.23843	2.4
417.25018	4.4
459.26334	5.9
489.27219	0.9
503.25165	1.2
549.29175	9.7
591.30219	100.0
592.30499	11.4
635.29840	3.6
636.36285	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
68.20004	0.3
73.45419	0.4
80.60416	0.4
83.05022	1.4
84.43493	0.4
85.06584	1.1
107.05057	1.1
114.15913	0.4
121.06621	0.6
123.08167	15.9
133.06572	0.5
134.07379	1.2
135.08176	2.8
135.11751	0.6
167.72134	0.4
170.28268	0.4
173.09723	1.6
175.14896	1.4
183.64503	0.5
227.18016	0.7
255.17542	0.5
269.19092	9.6
270.19489	0.9
271.20645	4.0
315.19629	100.0
316.19952	8.1
508.93369	0.4
643.48981	0.5
648.53436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11697	0.5
69.49558	2.9
69.49966	1.5
70.27942	0.6
71.01402	0.6
85.02960	1.9
87.00861	0.7
93.03471	3.9
93.69219	0.6
96.96970	1.3
99.29274	0.5
106.33829	0.6
111.04512	1.8
119.05032	45.6
120.05348	1.3
121.02953	10.9
127.04102	0.6
135.04503	1.0
146.68542	0.6
147.90636	0.6
155.03479	2.6
163.04010	100.0
164.04352	4.0
173.04530	11.5
174.04913	0.7
175.06160	1.1
177.16534	0.6
179.03506	0.9
191.05606	12.2
218.55788	0.6
234.58266	0.6
295.08313	1.9
337.09256	44.0
338.09543	3.4
432.74667	0.6
458.68039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98847	1.5
78.95908	34.0
81.03447	2.5
83.05013	8.4
84.02162	2.0
91.48341	0.9
95.05003	1.9
110.98538	14.7
124.24992	0.9
127.86520	0.9
140.40573	0.9
143.59814	0.8
152.99588	2.0
163.11304	7.6
165.12875	4.6
167.01154	7.9
185.02249	1.5
185.11929	1.1
187.45276	1.0
191.10718	1.1
209.11826	100.0
210.12158	4.1
211.13339	1.4
227.12880	23.3
228.13231	1.9
253.21899	1.2
255.23280	76.8
256.23557	5.0
377.13995	2.3
395.14758	1.6
397.16095	1.3
423.25162	7.2
435.24100	1.0
472.51563	1.2
480.03424	0.9
633.37762	65.7
634.38171	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	631.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91634	0.2
61.98818	0.5
63.03650	0.2
69.16259	1.4
69.16665	0.4
71.42818	0.2
73.02939	1.9
78.14942	0.2
86.68240	0.2
88.96822	0.2
90.63369	0.2
99.00854	0.3
99.92585	11.4
100.92598	0.4
114.93402	0.3
116.92861	100.0
116.97225	1.5
117.01940	3.5
117.92883	3.6
117.93697	0.1
148.96529	0.2
192.86732	0.2
223.62773	0.2
350.51053	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27718	0.2
61.98832	1.5
73.02939	1.3
78.95908	0.3
97.46366	0.3
98.19867	0.6
99.00856	0.4
99.92578	10.6
100.92613	0.5
111.02900	0.2
116.92857	100.0
116.97203	1.3
117.01937	2.1
117.92870	3.0
125.43259	0.3
127.33727	0.3
140.88171	0.3
192.62422	0.3
206.09953	0.3
315.76901	0.3
347.60345	0.3
356.65958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21907	0.2
61.98823	0.6
71.01395	0.2
73.02931	0.4
92.37362	0.1
96.95974	0.2
99.92585	10.2
100.92599	0.3
114.93449	0.4
116.92861	100.0
117.01945	0.7
117.92872	3.8
125.02437	0.2
171.10298	0.2
180.13181	0.1
199.09741	0.5
209.12097	0.2
211.13420	0.8
229.12085	0.2
357.26321	0.2
429.14136	0.1
515.08319	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
70.98058	0.5
71.01384	1.0
71.53011	0.7
84.11216	0.5
85.02981	1.5
87.00881	0.9
88.29800	0.5
88.42869	0.5
88.98811	3.8
89.02429	1.2
93.03453	1.3
94.22605	0.5
96.96003	0.8
98.29177	0.5
101.02440	0.7
108.02161	1.0
109.02950	1.0
113.02442	1.3
117.24765	0.5
121.02961	2.5
122.03708	2.9
124.01623	0.5
125.02439	1.0
133.02974	0.6
137.02444	0.6
141.54073	0.5
147.04471	0.7
149.02432	32.8
149.99669	0.7
150.03224	33.5
151.03677	0.9
152.01157	1.9
163.04054	0.9
164.04785	14.2
165.05562	52.2
166.05920	1.8
167.03464	0.8
168.00671	1.6
173.04576	0.6
180.04358	2.9
181.05048	3.2
191.05637	0.8
193.08687	2.0
195.06615	47.5
196.07266	4.1
197.08195	1.5
211.09721	5.5
248.75835	0.5
269.10394	0.9
344.12653	12.5
345.13007	0.9
359.14990	77.9
360.15338	6.9
389.15973	2.6
407.17075	72.7
408.17444	6.1
429.17679	0.8
555.57050	0.7
629.20813	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	627.2096
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
53.90457	0.2
63.07320	0.3
69.00381	0.3
71.28725	0.6
73.02961	0.9
78.28502	0.3
79.67912	0.3
79.86462	0.2
108.52721	0.3
118.82593	0.2
122.23650	0.3
123.44196	0.3
127.79118	0.3
128.46477	0.2
132.58772	0.2
136.61105	0.3
173.04515	0.3
178.66821	0.3
207.30289	0.3
437.12360	0.6
438.13162	1.2
450.13251	0.6
451.14236	1.1
452.14774	3.2
453.14963	0.4
465.15771	0.9
466.16306	0.9
469.11594	0.7
479.17184	0.8
480.14209	0.7
481.14890	7.9
482.15411	1.3
484.14230	0.5
493.15097	1.1
494.15820	0.6
495.16791	14.9
496.17410	2.5
498.15646	0.4
502.14749	0.4
507.15656	1.4
508.18097	1.9
509.18842	1.6
510.17557	0.3
512.13214	1.4
521.14752	1.2
523.20587	1.2
524.17096	0.4
525.13922	0.3
526.14905	1.3
533.18152	0.6
535.15973	1.9
536.16876	2.4
539.15967	0.6
540.16907	3.6
541.16730	0.4
551.19391	36.8
552.19611	6.7
553.17426	0.4
554.17432	1.1
555.18707	1.2
567.18915	0.4
568.16437	0.9
572.15631	2.5
573.16266	0.5
586.17047	2.1
587.17432	0.4
595.18378	7.7
596.18970	1.4
627.20953	100.0
628.21210	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	627.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.0
59.01378	3.2
60.69857	1.3
67.01881	5.3
69.03468	1.2
69.39118	7.8
71.01375	4.1
85.02953	7.2
87.00870	5.6
93.03458	23.1
111.00864	1.6
111.04539	5.5
119.05014	14.0
125.02386	1.5
127.04059	1.4
129.01967	1.7
130.35350	1.2
137.02429	4.3
149.09558	1.2
155.03491	4.2
163.04002	19.5
166.54297	1.3
173.04543	100.0
174.04898	2.7
191.05598	34.9
234.92705	1.1
250.84114	1.2
269.51245	1.2
271.02536	6.1
272.02823	4.8
273.02982	6.4
273.09872	2.9
289.06903	1.6
299.01944	9.8
300.02249	8.6
301.02719	15.4
302.03635	3.4
303.04031	3.9
304.04449	1.6
337.05380	2.7
337.09250	35.3
337.15329	1.7
338.09644	2.1
428.58484	1.3
440.14404	1.4
463.08438	1.8
464.08594	5.6
465.09277	4.8
624.64606	1.2
627.14490	20.9
628.14880	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.3
57.04113	1.4
57.60842	1.0
59.01375	1.9
61.98833	11.2
67.01890	1.5
69.60035	3.3
69.60452	4.1
74.32915	1.0
75.97691	1.0
81.03442	1.4
83.01369	1.7
85.02937	2.2
93.03451	12.9
95.05042	1.4
98.19944	2.4
99.04516	1.5
111.04507	1.7
112.10293	1.1
121.02988	1.7
125.02445	13.5
137.02448	17.0
155.03499	3.2
157.06590	1.5
165.01933	10.8
167.03484	16.8
172.05359	1.2
173.04558	29.2
173.06020	3.4
183.04533	1.3
185.06085	1.4
187.07660	1.8
191.05602	3.8
196.05270	1.6
197.06068	16.6
198.03329	1.3
199.04010	3.7
199.07596	1.7
200.04770	1.7
201.05527	3.1
203.03477	1.0
213.05556	5.4
214.06276	2.5
215.03571	2.6
215.07127	34.4
217.05031	14.9
224.04782	2.1
225.05557	22.5
226.06107	1.7
227.03474	9.9
227.07086	1.5
228.04196	4.2
237.05569	1.8
238.06281	1.2
241.05000	11.8
242.05685	2.2
243.06607	53.4
244.06953	1.9
246.05273	1.2
251.03583	1.3
251.07150	1.8
253.05005	3.6
255.03061	1.6
255.06665	6.0
259.06189	4.2
264.04276	1.6
265.05014	3.0
271.06149	7.9
277.08731	1.6
279.06647	2.1
281.08133	2.3
283.06146	5.5
287.02603	0.7
287.05573	21.2
295.09818	1.4
297.07614	1.8
305.08170	3.2
307.06006	1.8
313.10416	1.3
315.05112	25.6
316.05548	1.8
319.09723	1.8
323.09183	3.0
327.05087	4.5
337.10666	1.3
347.09354	3.7
349.07117	1.9
363.08777	1.7
367.08084	3.7
373.07193	1.8
391.03659	1.9
391.08197	11.4
409.09265	29.7
410.09641	3.0
417.05933	1.9
435.07123	11.9
453.08249	100.0
454.08618	10.1
478.97812	1.1
489.10507	6.4
564.12445	1.6
609.11963	1.8
627.13336	23.5
627.30261	1.2
628.14233	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	625.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03444	0.8
58.00590	0.7
59.01381	15.7
61.98818	1.3
69.03465	0.7
69.34214	0.5
69.34612	2.1
71.01385	12.3
71.01786	0.7
72.99342	0.7
73.02946	1.9
75.00879	0.4
81.03439	0.4
83.01389	1.6
83.05071	0.3
85.02953	2.3
86.31806	0.3
87.00894	1.9
89.02448	9.6
93.03436	0.4
95.01392	0.9
97.02940	1.6
98.20680	0.3
99.00873	0.8
99.79786	0.3
100.42141	0.3
101.02451	8.2
108.02159	0.4
109.02987	0.4
111.00866	0.3
111.04544	0.4
111.08173	0.8
111.80386	0.3
113.02467	4.2
119.03496	1.8
121.02955	0.4
125.02450	2.5
125.66889	0.3
131.03560	0.4
143.03511	0.9
149.04518	0.4
152.01128	0.7
161.04558	1.0
165.12845	10.0
166.13153	0.6
167.03464	0.3
173.04518	0.3
179.05637	1.1
183.13898	68.9
184.14262	3.2
185.04520	0.5
209.11810	0.9
221.06696	0.9
227.12877	8.8
235.08292	1.1
253.09331	0.6
263.07776	0.3
397.13422	3.9
415.14536	2.7
529.16333	0.4
607.26410	0.7
625.27124	100.0
626.27429	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	626.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
63.94998	0.8
69.45810	6.9
78.95892	2.1
82.20619	0.9
85.30463	1.0
87.10869	1.0
87.39941	0.9
98.05470	1.1
98.19933	1.9
106.56320	0.9
110.86386	1.0
110.87186	1.0
121.25706	0.9
138.39082	1.1
145.77194	0.9
146.50969	1.0
161.29080	1.1
177.71078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.2
59.01357	1.2
67.01878	1.6
69.03464	1.1
69.61380	5.3
71.01378	1.8
75.42202	1.0
77.93167	0.7
81.03456	2.7
83.01378	1.6
85.02962	2.1
93.03458	10.5
95.05035	1.3
96.96009	1.6
97.02937	1.7
98.20605	1.6
99.04492	1.1
109.02943	1.3
111.04512	3.6
111.94269	0.8
114.11999	0.8
121.02935	1.3
122.54672	0.8
123.04516	1.5
125.02448	13.9
129.01971	1.3
137.02458	17.8
151.04042	1.3
155.03484	3.2
157.06589	1.6
163.00526	1.0
164.01187	1.2
165.01938	9.5
167.02138	1.5
167.03503	17.7
167.04924	1.4
169.06555	1.3
172.05249	0.9
173.04573	26.4
173.06042	3.8
174.03273	0.8
183.04541	0.9
185.06033	2.2
187.07611	3.2
189.05516	1.0
191.05617	7.0
195.04437	0.9
196.05217	1.3
197.06064	13.9
198.03229	1.3
199.04018	3.8
199.07610	2.2
200.04822	1.0
201.05566	3.1
203.03424	1.4
212.04778	1.2
213.05527	6.9
214.06253	3.6
215.03653	1.9
215.07121	38.4
216.07433	2.8
217.05055	13.6
218.05522	1.2
224.04865	2.0
225.05547	17.0
226.05983	1.7
227.03502	10.9
227.07083	1.7
228.04175	3.2
229.04955	2.4
231.06606	1.4
237.05525	2.6
238.06340	1.3
239.07239	0.9
241.05042	12.6
242.05608	1.9
243.06618	49.7
244.06946	3.2
246.05391	0.9
253.05074	2.8
254.05730	1.5
255.02962	1.3
255.06660	4.0
256.03568	0.8
259.06131	4.7
263.03738	0.9
265.05042	2.5
269.04578	2.3
271.06131	7.8
275.07355	0.9
277.08670	2.2
279.06461	1.4
281.08136	1.3
283.06149	5.5
287.05606	18.7
288.06003	1.9
295.09747	2.3
297.04071	1.2
301.08557	1.2
303.06302	1.0
304.07242	1.3
305.08188	3.9
307.05960	1.5
315.05121	24.5
316.05411	1.3
319.09732	1.8
321.07532	1.3
323.09192	3.8
325.06998	1.0
327.04907	4.0
329.08298	1.4
337.10571	1.2
345.07510	1.0
347.09308	3.6
349.06973	3.0
363.08698	3.0
365.10223	2.1
367.08197	4.7
373.07056	2.4
381.09894	1.4
389.06818	1.1
391.08270	9.8
409.09290	28.0
410.09583	2.6
417.06235	1.5
435.07098	9.3
436.07565	1.4
453.08273	100.0
454.08505	11.8
468.95139	1.0
489.10370	5.1
609.12408	1.3
627.13416	29.4
628.13904	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	625.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06830	0.4
63.02402	0.4
65.00316	0.9
69.74843	2.3
83.01386	1.1
96.71693	0.4
107.01396	2.0
108.02174	1.7
109.02924	0.5
121.02976	1.5
135.00912	0.8
148.01700	1.5
151.00375	8.1
163.00401	1.2
178.99887	6.0
199.03940	1.1
211.04005	0.8
215.03444	0.5
226.02742	1.5
227.03464	1.9
243.02968	10.0
244.03476	0.8
254.02144	2.2
255.02972	25.8
256.03308	1.2
271.02466	54.8
272.02966	4.5
273.04129	0.7
299.01950	3.0
300.02734	100.0
301.03394	19.9
366.13437	0.5
379.16861	0.4
399.95752	0.5
463.08902	1.7
625.14056	78.3
626.14404	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61033	0.2
54.95662	0.2
55.01872	0.7
57.03455	0.6
58.00593	0.8
59.01380	20.0
61.98834	0.3
69.03452	1.1
69.45390	0.7
70.69038	0.2
71.01380	13.2
72.99309	1.0
73.02947	1.8
75.00878	0.5
81.03451	0.7
83.01372	1.5
83.05041	0.3
85.02953	3.4
87.00887	3.1
89.02448	12.0
95.01387	1.1
97.02951	2.1
99.00882	1.1
101.02443	10.9
109.02934	0.3
111.04577	0.4
111.08153	0.8
112.23176	0.2
113.02449	4.7
119.03508	2.5
119.05012	0.3
121.02968	0.5
125.02445	2.8
131.03487	0.4
133.05040	0.3
143.03513	1.0
149.04552	0.4
160.58545	0.3
161.04585	1.3
163.03903	0.3
165.12856	8.3
166.13220	0.3
166.29100	0.2
169.91826	0.2
179.05634	1.1
183.13899	65.1
184.14236	2.8
209.11850	0.8
221.06606	1.1
227.12874	8.1
235.08218	1.6
253.09238	0.5
263.07822	0.4
263.89166	0.3
397.13535	4.6
415.14600	3.4
592.45038	0.3
607.25751	0.4
618.73529	0.2
625.27081	100.0
626.27380	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	625.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98857	0.3
58.34349	0.3
59.57269	0.3
63.02401	0.5
65.00345	0.7
79.30043	0.4
83.01382	0.4
83.39503	0.4
88.35566	0.3
93.03465	0.8
107.01400	1.6
109.02985	0.6
119.04998	0.4
121.02925	0.8
125.02415	0.8
129.39755	0.3
133.02997	0.5
137.02463	0.6
149.02475	0.7
151.00365	7.5
156.33768	0.3
163.00349	0.6
163.03981	0.5
164.01134	0.6
165.02022	0.5
171.04500	0.6
173.04564	1.9
175.00340	1.5
175.03995	0.8
178.99893	1.8
183.04510	0.5
187.04002	0.7
189.01892	0.5
199.04030	2.9
201.02003	0.5
207.62811	0.4
211.04044	0.5
212.68526	0.3
215.03479	1.7
226.02747	0.8
227.03505	2.5
229.05040	0.5
243.02992	4.2
245.04256	0.4
254.02124	0.5
255.02969	2.1
271.02466	51.3
272.02823	4.3
273.03720	0.4
282.01694	0.4
285.03885	0.4
299.01953	100.0
300.02603	16.1
301.03510	42.5
302.03903	2.6
313.03476	1.3
337.09195	1.0
343.04538	1.4
409.67432	0.4
462.08017	23.2
463.08777	31.1
464.09369	2.3
505.09875	1.1
625.14050	77.8
626.14435	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	625.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.8
68.53797	0.3
75.00878	0.6
77.82096	0.3
85.02951	0.5
87.00909	0.3
98.20696	0.6
103.00376	0.9
107.01373	1.7
109.02960	0.7
113.02457	0.7
124.01682	2.8
125.02439	0.7
129.01900	0.4
135.00911	0.4
135.04485	0.4
136.01654	0.4
137.02434	1.0
148.01651	0.5
151.00368	5.8
152.01245	1.6
155.82759	0.3
163.00363	1.4
164.01135	1.6
165.01927	0.7
169.01434	0.4
173.06206	0.4
175.03818	0.4
177.01949	0.4
177.35394	0.3
178.99861	6.2
192.00641	0.4
193.01302	0.4
199.04016	0.4
199.59950	0.5
203.03419	0.6
204.04248	0.8
209.11958	0.7
212.34085	0.3
214.02711	5.6
215.03352	1.1
219.02946	0.4
227.03436	0.9
231.02957	0.5
232.03682	0.9
235.06099	0.4
241.01381	0.4
242.02219	5.7
243.02905	3.4
244.03569	0.7
259.02441	7.5
260.02994	0.6
270.01691	6.6
271.02460	38.8
272.02774	3.0
285.04205	0.6
287.01965	23.4
288.02603	2.5
299.01962	1.1
300.02716	1.5
301.03452	1.9
311.10361	0.4
315.01440	1.4
316.02216	100.0
317.02774	10.8
373.10461	0.5
381.47812	0.4
426.05594	0.4
435.62668	0.4
449.10211	0.4
463.08734	1.7
620.62439	0.4
625.14050	73.2
626.14325	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	624.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.94061	0.6
70.47276	1.7
72.33450	0.6
216.38959	0.7
241.17224	0.7
241.19899	0.6
485.70514	0.7
578.15839	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.343
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
54.02082	0.6
55.01862	1.4
56.56910	0.6
57.03435	2.3
59.01112	0.9
59.01377	13.4
61.98820	1.0
64.39207	0.5
69.03459	0.9
71.01376	14.0
72.99287	1.2
73.02935	3.7
81.03444	1.1
83.01366	3.3
83.05010	2.2
85.02960	5.0
87.00886	5.6
87.81240	0.6
89.02444	7.5
91.03992	0.7
95.01374	1.5
97.02960	1.3
97.06569	0.8
101.02437	10.8
109.06601	2.6
111.08130	1.9
113.02444	6.2
115.67324	0.5
119.03519	1.4
123.08195	0.7
125.02459	1.8
133.05038	1.4
135.08122	1.4
137.09708	1.7
143.03465	1.2
145.05048	3.9
161.04559	3.3
165.12933	0.6
179.05605	1.1
195.17413	0.5
203.14381	1.7
205.15762	0.8
211.13390	1.1
213.14879	1.7
231.17522	2.2
235.08208	8.8
237.14839	1.3
239.16527	2.5
241.18065	1.0
247.13237	0.9
249.15196	0.6
253.09200	0.6
265.17944	1.4
275.16455	1.2
277.18033	1.1
293.21252	0.7
296.01804	0.5
315.26904	3.1
325.25391	4.9
341.24854	3.5
343.26395	5.3
344.26675	0.9
351.23309	3.0
352.23575	0.8
359.25824	7.3
360.26099	0.6
361.27371	1.3
369.24268	12.9
370.24622	1.0
377.26999	1.3
387.25351	40.0
388.25806	3.4
405.26437	31.1
405.30859	0.4
406.26788	3.0
461.28299	0.5
479.29987	1.9
595.34747	2.2
605.32990	1.7
623.34314	100.0
624.34601	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88131	0.6
55.01868	1.4
57.03448	1.0
59.01110	1.1
59.01379	14.2
61.98831	1.1
66.83784	0.7
68.30396	0.7
69.03452	1.6
71.01381	14.5
71.05048	0.9
73.02934	2.6
83.01391	2.4
83.05025	1.3
85.02950	4.9
86.00104	1.4
87.00878	5.9
89.02446	7.2
95.01389	1.3
95.05022	0.7
97.02934	0.9
99.00866	1.0
101.02451	11.3
109.06587	1.4
111.08140	2.1
113.02446	7.1
115.04074	0.6
118.79636	0.6
119.03487	1.9
123.08155	0.9
125.02382	0.7
127.55292	0.7
135.08142	1.7
137.09723	2.2
143.03519	1.5
145.05057	3.0
161.04593	3.3
179.05569	2.0
183.13748	0.7
203.14363	2.0
211.13406	1.2
213.14842	2.4
221.15509	0.8
231.17596	1.7
235.08231	9.9
237.14880	1.1
239.16466	1.7
241.18076	0.8
247.13588	0.9
247.17004	1.0
249.14958	0.8
265.18030	1.6
275.16492	1.7
275.55444	0.7
277.17984	1.2
315.26874	3.0
317.28497	1.1
325.25421	4.5
326.87997	0.7
341.24826	4.9
343.26492	5.7
344.26965	0.8
351.23193	2.9
359.25912	9.5
360.26181	0.8
361.27390	1.4
369.24332	13.6
370.24609	1.6
377.27252	1.1
387.25385	42.5
388.25891	5.1
405.26447	35.2
406.26541	2.7
461.29047	0.9
472.54291	0.9
479.30310	1.4
504.43555	0.7
547.23077	1.6
595.34515	2.3
596.34894	0.8
605.33038	1.0
623.25403	6.7
623.34296	100.0
624.34674	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	623.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45049	0.5
52.64460	0.5
59.01388	1.1
61.98832	1.6
67.35796	0.6
69.23502	4.6
77.71986	0.5
78.95905	94.3
80.02681	2.2
81.03456	1.8
83.05025	6.0
84.02166	1.6
90.48771	0.6
95.05037	1.1
96.96960	9.1
102.04680	0.6
116.92863	2.9
121.95080	0.6
134.98508	1.6
135.08160	0.8
150.98042	0.8
152.99586	56.0
153.99902	0.7
163.10294	0.5
163.11325	6.1
165.12845	3.7
171.00632	1.1
181.12352	1.4
182.55692	0.6
187.76003	0.7
191.10706	1.5
199.13252	0.7
209.11821	100.0
210.12160	5.8
227.12872	8.7
237.36424	0.6
355.77130	0.6
363.12128	30.0
364.12518	2.1
381.13141	8.9
395.14737	9.4
413.15720	2.5
430.04950	0.6
531.24384	0.7
591.25732	51.9
592.26160	5.9
623.28302	38.8
624.28876	5.9
638.94043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
57.03443	4.1
59.01380	40.1
61.98833	11.8
69.32479	2.7
69.32892	6.4
71.01382	29.7
72.99300	1.3
73.02948	10.1
75.00871	3.7
78.95910	2.5
79.27579	1.0
83.01395	5.6
85.02953	13.5
87.00873	3.2
88.98797	2.2
89.02448	9.1
90.87646	0.9
93.03442	3.2
95.01392	3.0
96.96007	2.6
98.20676	2.0
99.00882	3.7
101.02441	24.7
103.00367	4.1
109.02929	1.4
110.69157	0.9
111.00872	2.8
111.04520	1.2
113.02460	13.3
116.92853	1.4
119.03508	2.7
119.04974	3.1
119.55367	1.0
123.04533	1.8
125.02444	6.9
137.02423	3.1
143.03505	1.3
149.04503	1.0
152.99548	1.1
159.02986	3.0
161.04570	7.3
163.03993	3.1
167.03525	2.1
177.02031	1.1
209.11774	1.5
285.03986	1.8
287.22147	1.3
356.12527	1.5
371.14960	3.8
383.14859	3.0
401.25314	3.3
461.23743	6.3
491.28226	4.3
529.31097	1.1
563.30695	100.0
564.31110	13.2
579.33435	1.5
623.16815	1.1
623.24799	1.2
623.33282	9.9
624.16925	1.0
624.35315	1.2
627.61377	1.0
641.12537	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.8
57.03435	2.9
59.01381	22.7
61.98833	7.2
69.03460	1.1
71.01015	1.3
71.01384	21.8
72.99300	2.3
73.02943	6.0
75.00865	1.1
81.03448	2.0
81.13786	0.7
83.01397	5.4
83.05009	2.7
85.02953	11.3
87.00899	4.5
88.98804	1.0
89.02443	6.9
91.22522	0.9
93.03462	8.9
95.01398	1.9
96.96012	2.3
97.02954	1.4
98.95658	1.1
99.00874	3.2
99.08177	0.9
101.02438	18.7
103.04033	2.4
109.06553	1.2
111.00857	1.7
111.04513	6.6
113.02454	9.4
115.75474	0.9
119.03527	2.2
119.05038	5.0
123.04479	0.9
125.02428	6.3
126.02699	0.9
129.01932	1.9
135.00844	1.0
137.02461	2.7
141.12895	1.0
143.03493	1.5
151.00391	1.0
155.03516	8.5
161.04524	2.7
163.03978	3.9
163.06133	2.8
163.07498	0.9
173.04533	16.6
191.05638	3.5
207.10268	1.5
214.36919	0.8
225.11264	1.4
247.08104	1.0
255.19656	1.0
264.00125	0.9
269.21176	2.5
271.02344	1.4
285.03989	0.8
285.20703	1.1
287.22269	29.2
288.22614	2.6
307.10263	4.5
314.04138	1.1
315.05023	2.6
373.26025	0.8
417.24918	2.6
431.26450	6.5
449.27570	100.0
450.27972	9.4
457.13315	1.2
491.28113	4.3
535.24731	1.4
563.30670	24.6
564.31250	1.9
623.32886	91.5
624.33118	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	623.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.5
59.01382	4.3
61.12717	0.4
61.98834	3.8
69.03448	2.5
69.52528	2.7
71.01376	2.7
71.05035	0.5
71.84214	0.5
72.99306	23.7
73.02951	0.8
75.00852	0.7
83.01398	0.7
85.02950	3.0
87.00905	1.1
88.98804	1.3
89.02435	1.1
93.03445	3.1
96.96004	1.4
98.20655	0.9
98.95589	0.6
99.00881	1.2
100.84567	0.4
101.02453	1.1
103.00411	1.0
109.02963	0.6
113.02450	3.7
117.03464	0.8
119.05025	100.0
120.05347	2.1
121.02959	1.0
123.04504	0.5
125.02422	1.0
129.69437	0.4
131.03522	0.7
137.11658	0.4
139.11278	2.6
145.02956	4.3
146.71074	0.4
149.04602	0.5
151.00359	0.6
155.03560	0.5
159.04440	0.6
162.03265	1.2
163.04004	67.4
164.04312	2.4
173.04530	3.0
183.10268	3.4
191.05687	0.5
219.06631	0.7
253.09245	0.5
253.29257	0.5
277.07181	2.1
285.04083	2.6
287.22360	0.6
315.05109	0.8
325.09235	1.5
327.21802	1.3
373.26273	0.6
375.28009	0.5
381.08145	0.8
439.12405	24.0
440.12863	1.8
449.27887	1.0
457.13467	30.6
458.13791	2.0
462.08560	0.5
491.27936	1.0
579.33673	0.8
623.23462	27.7
623.33252	6.1
624.23676	3.3
624.32965	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.5
59.01376	1.0
61.98837	0.4
63.02414	0.6
65.00328	1.1
69.06695	0.3
71.01384	0.4
73.02954	0.5
77.90859	0.4
83.01398	0.6
85.02961	2.2
88.98803	1.3
89.02415	0.4
107.00706	0.3
107.01405	1.6
125.02446	0.4
130.52853	0.4
133.02942	0.4
145.02971	0.8
151.00371	5.6
152.01012	0.4
155.05011	0.8
159.04524	0.4
163.00461	0.6
167.05019	0.5
169.02850	0.4
171.04501	1.2
175.03992	0.5
178.99841	1.9
183.04475	1.4
183.05986	0.4
185.02423	0.4
187.04016	1.4
191.01883	0.9
199.04002	7.4
201.01939	0.7
203.03528	1.1
211.03911	0.6
215.03484	3.8
216.04120	0.4
226.02631	0.8
227.03470	6.6
229.01309	0.5
242.02193	7.3
243.02968	34.1
244.03307	2.2
254.02309	0.5
255.02985	12.4
256.03436	0.7
257.04565	6.6
270.01669	7.3
271.02463	42.5
272.02991	3.7
285.04004	13.9
286.04788	4.4
287.05545	1.7
299.01947	64.5
300.02612	15.1
301.03003	0.9
313.03442	1.6
314.04312	76.5
315.05042	27.6
315.08905	0.8
316.05527	1.1
328.72452	0.4
338.19882	0.4
357.06137	0.4
385.49860	0.4
459.09097	1.2
563.30243	0.4
623.16119	100.0
624.16510	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	623.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
56.22014	1.2
57.03446	46.2
59.01378	72.8
62.30917	1.4
67.01899	3.6
69.03466	1.8
70.82884	1.3
71.01377	24.1
72.99304	2.7
73.02936	4.3
83.01399	4.9
83.05039	1.4
85.02940	17.1
87.00870	10.8
89.02442	24.0
89.44700	1.2
91.85777	1.2
93.03442	4.0
95.01375	3.1
97.06601	1.2
99.00894	10.3
99.04522	12.5
101.02434	13.6
103.00362	5.2
109.02959	1.6
111.00875	25.2
111.04475	2.2
113.02450	10.0
119.03524	8.5
125.02411	1.8
128.01161	4.4
129.01958	22.2
133.02899	1.5
151.00348	3.1
154.99837	3.7
158.82150	1.5
164.20216	1.3
165.12854	3.6
173.00897	5.8
173.04535	4.8
175.02446	2.3
179.05605	6.7
189.12854	4.5
191.01961	4.4
191.05629	4.7
207.13864	13.7
209.09911	2.2
209.11827	39.1
210.12115	3.0
225.14984	10.0
227.12880	5.9
233.11588	1.5
251.12892	10.1
269.13922	60.7
270.14249	3.7
275.12848	11.1
285.00912	2.8
285.04016	40.2
286.04373	2.4
287.14929	13.1
293.14038	2.2
311.14890	10.8
389.18195	4.5
431.19095	2.8
447.09161	2.8
449.20227	100.0
450.20599	6.5
461.07175	15.8
461.20282	2.0
473.20468	2.5
491.21530	20.1
535.20190	30.0
536.20789	3.2
623.12555	6.6
623.22321	15.4
624.13904	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.4
57.03447	7.9
59.01375	7.5
65.39506	1.1
71.01395	11.2
71.53149	1.8
72.99310	2.3
75.00870	2.8
78.95903	25.6
78.96342	2.6
83.01381	4.0
84.02177	1.6
85.02953	95.5
86.03264	1.8
87.00887	2.4
87.78564	1.2
89.02441	4.4
95.01347	1.2
96.96967	54.2
98.97375	1.9
99.00878	2.0
100.67764	1.3
103.00341	1.8
103.67522	1.2
107.01314	1.6
111.00855	5.0
113.02442	3.7
115.00389	1.7
119.05018	3.1
120.99626	1.8
121.02905	1.9
123.04498	1.3
125.02439	4.6
127.93260	1.2
129.01958	7.1
133.01404	3.5
133.02945	2.9
137.02454	2.2
147.03003	10.8
151.00349	2.5
163.04001	4.0
165.01924	2.2
167.03470	3.2
173.00914	1.9
177.01988	2.0
191.01978	55.4
191.05641	1.7
192.02426	1.4
209.03023	100.0
210.03384	1.5
231.22823	1.3
239.05551	2.5
243.02942	1.9
249.16403	1.4
267.06430	8.6
284.03336	13.8
285.04013	50.4
286.04190	1.8
337.05402	1.9
355.06689	31.5
356.07053	2.8
447.09351	7.5
461.07095	10.5
623.12061	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	619.2559
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
61.98800	1.1
64.32362	0.7
70.81618	1.6
118.02191	0.7
123.25520	0.7
132.99571	0.7
134.27892	0.7
139.61931	0.7
401.13980	2.0
404.89960	0.8
415.15619	2.6
416.16354	11.4
417.16891	1.4
429.17010	1.0
430.18094	2.2
431.18936	1.2
444.16040	2.0
458.17276	1.0
459.18250	100.0
460.18616	12.0
473.19836	14.9
474.20404	5.9
483.66858	0.8
485.16064	0.9
487.18610	0.8
501.19189	2.2
503.17014	3.6
517.19037	1.7
518.19580	44.3
519.19739	5.5
532.21198	9.0
533.21918	81.1
534.22260	13.5
587.22754	6.5
588.23407	1.3
619.25598	88.4
620.25879	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	623.1254
Annotation	Kaempferol 3-glucuronide-7-glucoside
Peak:m/z	Relative Intensity
57.03441	0.6
59.01381	2.1
63.02404	0.3
65.00341	0.3
68.15079	0.2
69.68633	0.3
69.69042	0.7
71.01377	2.2
72.99316	0.2
73.02961	0.2
75.00880	0.6
77.45671	0.2
83.01404	0.3
85.02949	2.7
87.00868	0.9
89.02451	0.5
95.01399	0.4
99.00894	1.2
100.05798	0.2
100.72420	0.2
103.00387	0.2
103.47755	0.2
106.02930	0.2
107.01391	0.9
109.02924	0.3
111.00853	0.7
113.02452	1.6
115.00371	0.3
121.02983	0.3
129.01945	0.4
133.02948	4.2
149.02412	1.1
151.00369	3.2
171.04535	0.2
175.02489	0.5
175.03995	2.1
185.06194	0.2
189.05412	0.2
197.06172	0.3
198.03197	0.2
199.03993	1.8
200.45317	0.2
201.01965	0.5
213.05562	0.4
217.05084	1.1
241.05038	0.9
243.03017	0.6
255.03105	0.2
256.03784	0.7
257.04636	0.3
267.02930	0.4
269.04318	0.3
284.03262	2.8
285.04028	100.0
286.04376	5.9
287.14801	0.2
297.04053	0.4
318.79764	0.2
327.05115	1.4
357.06033	0.4
380.19531	0.2
381.05942	0.3
443.06232	0.9
447.09268	10.1
448.09525	1.0
449.20184	0.4
461.07233	25.9
462.07678	2.4
503.08286	3.0
504.08371	0.2
518.27533	0.2
521.38141	0.2
533.10156	0.2
623.12512	24.0
624.12891	3.2
635.94110	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
59.01380	3.2
63.02405	0.3
65.00328	0.6
65.26093	0.2
65.47584	0.2
67.01864	0.3
69.58463	1.2
71.01377	3.9
72.99316	0.5
73.02928	0.6
75.00877	1.2
83.01394	0.5
85.02947	5.7
86.03268	0.2
87.00883	1.2
89.02451	0.8
95.01379	1.9
99.00877	2.1
100.84410	0.2
103.00365	0.7
107.01411	1.1
109.02953	0.4
111.00860	0.3
113.02456	5.1
115.00385	0.5
117.01951	0.6
121.02922	0.2
125.02453	0.7
129.01926	0.7
133.01408	0.3
133.02940	4.1
133.75386	0.2
149.02475	1.1
151.00374	3.6
173.06099	0.3
173.59348	0.2
174.53038	0.2
175.02461	1.7
175.04015	1.8
191.01906	0.4
191.05499	0.3
197.06062	0.4
198.03220	0.3
199.04016	1.4
201.01877	0.9
211.04002	0.5
213.05544	0.4
217.05061	1.1
223.04024	0.3
227.03490	0.4
241.05081	1.1
243.02977	0.4
255.03006	0.5
256.03696	1.3
257.04462	0.5
269.13867	0.4
283.02444	0.4
284.03253	24.2
285.04025	100.0
286.04382	6.4
297.04074	0.8
298.04596	0.4
299.05585	1.0
311.01810	0.3
327.05054	3.2
328.05371	0.3
339.04959	0.5
355.04471	0.4
357.06058	1.3
369.06177	0.4
381.06183	0.6
387.16440	0.5
399.07382	0.4
419.16681	0.2
443.06009	0.2
447.04413	0.2
447.09283	13.8
448.09702	1.4
449.20425	0.7
461.07227	23.2
462.07620	2.3
489.10278	0.4
497.07190	0.6
503.08557	2.7
519.10986	0.3
533.09851	0.3
623.12524	19.9
624.12964	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70443	0.6
57.03440	1.1
57.66005	0.8
58.02979	8.5
59.01371	2.6
61.98819	3.1
67.01891	4.3
69.03455	0.8
70.02982	4.6
71.01384	5.2
72.00890	2.5
75.00874	1.7
81.03416	1.1
85.02947	2.4
87.00880	2.9
87.53741	0.7
89.02431	1.1
91.05520	2.9
93.03453	25.3
96.95996	1.4
101.61381	0.8
109.02968	1.4
111.00903	1.3
111.04494	4.8
113.67755	0.9
117.03482	1.0
119.05027	3.3
123.12141	0.7
125.02412	2.2
134.03743	17.3
135.02992	6.4
135.04491	0.9
137.02452	4.6
147.04529	20.5
149.06096	1.5
155.03499	6.9
163.04059	4.0
163.74248	0.7
164.07158	48.8
165.07452	2.5
167.03487	0.9
173.04546	100.0
173.59421	0.8
174.04907	2.8
191.05611	13.4
193.05037	11.5
194.05415	0.8
206.08211	90.0
207.08635	3.8
217.03549	1.7
250.07013	0.8
291.56555	0.8
317.53314	0.8
327.08710	4.4
367.10309	23.5
368.10779	1.7
389.66669	0.8
499.07291	0.8
619.17133	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	619.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48497	0.4
55.01865	0.5
59.01386	2.8
60.27336	0.4
69.29801	1.9
69.30215	1.5
71.01389	2.8
72.99321	0.9
73.02939	0.9
85.02950	1.1
87.00867	0.8
89.02451	2.6
93.03480	0.9
98.19912	0.7
99.00883	1.7
101.02454	1.3
113.02455	0.6
117.03385	0.5
119.05028	100.0
120.05350	2.6
125.02469	0.5
133.06587	0.7
135.02959	1.0
145.02975	1.0
161.06100	1.7
163.04004	65.3
164.04337	2.0
173.04541	1.2
191.05618	1.7
193.05035	0.5
205.05061	2.1
302.66702	0.4
325.09158	0.7
327.08749	1.9
439.12283	0.6
457.13504	85.3
458.13824	6.0
499.14612	1.2
540.04718	0.5
619.18695	9.6
620.18860	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.3
58.00602	0.4
59.01381	3.0
61.98838	1.0
68.59417	0.2
70.28032	0.8
70.28394	0.3
71.01386	2.7
71.05028	0.2
73.02962	0.6
80.02680	0.7
81.03474	1.0
83.01390	0.7
83.05028	3.5
84.02183	0.6
85.02967	0.8
87.00887	0.8
89.02456	2.6
95.01345	0.3
95.05032	0.5
98.20625	0.3
101.02444	2.4
102.31470	0.2
109.06588	0.3
113.02441	1.5
116.62883	0.3
119.03516	0.6
125.02464	0.8
125.06097	0.5
125.09722	1.1
127.11276	1.9
135.08197	0.7
137.02455	0.2
138.66933	0.3
143.03572	0.2
145.05026	0.4
149.04570	0.6
153.09196	0.5
161.04584	1.2
163.11298	3.5
165.01866	0.3
165.12854	1.8
171.10271	100.0
172.10599	3.1
181.12399	0.6
191.10785	0.7
199.13243	0.5
209.11823	90.1
210.12148	4.2
211.13371	0.7
227.12881	12.9
228.13188	0.6
235.08221	3.0
253.09283	8.5
259.13159	0.2
283.70724	0.2
303.91281	0.2
363.21609	0.4
407.19180	1.9
445.20898	1.2
448.12415	0.2
463.21841	0.4
581.29822	0.4
581.56018	0.3
599.30646	0.5
612.31543	0.3
617.31262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85642	0.9
56.71147	0.8
59.01376	3.3
61.98824	2.3
75.00874	78.1
78.95884	1.2
83.92658	0.8
85.15379	1.0
96.95994	0.8
101.02405	1.0
103.00375	100.0
103.04013	4.4
104.03534	1.0
116.60822	0.8
171.10265	2.3
209.11850	1.8
269.36288	1.0
277.21732	2.9
317.83310	0.9
479.40347	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93571	1.3
55.01872	2.4
57.03441	4.5
59.01380	72.0
61.98841	7.2
69.03455	1.9
69.41113	9.9
71.01385	29.4
72.28721	1.2
72.99326	1.7
73.02946	12.8
73.71488	1.3
75.00913	2.0
83.01408	3.7
83.05016	2.9
84.37408	1.4
85.02946	15.5
87.00877	5.3
88.98790	2.0
89.02451	17.8
93.03445	4.0
95.01382	2.3
95.05037	2.3
96.43674	1.4
96.96027	13.1
98.19869	2.6
99.00894	8.1
101.02453	21.9
111.00893	4.0
111.04488	3.0
113.02460	15.3
116.92816	1.5
119.03483	2.1
119.05027	1.5
125.02410	6.4
131.03471	3.9
137.02425	4.7
139.04028	11.0
140.83580	1.4
143.03522	2.7
149.04567	30.4
155.03481	5.5
159.03038	2.2
161.04559	11.0
163.11288	2.0
169.01360	1.9
171.08818	2.7
171.10274	55.0
172.10516	1.5
173.04617	3.2
206.17645	1.4
209.11838	49.8
210.12233	2.5
227.12839	8.9
235.08304	1.5
244.61115	1.4
251.82983	1.5
253.09245	5.2
399.23828	5.4
441.24887	5.5
443.22580	1.9
498.04639	1.7
513.26666	4.4
514.60645	1.6
531.28101	20.3
533.30524	1.5
554.55627	1.4
573.29156	100.0
574.29553	10.5
617.18280	2.1
617.27216	10.2
618.27264	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	617.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
57.03444	3.4
59.01380	74.9
61.98830	6.4
63.24447	0.9
69.03461	1.1
69.56371	3.3
69.56773	2.6
71.01380	28.7
73.02945	12.9
75.00871	1.7
83.01385	3.1
85.02942	12.4
87.00868	3.9
89.02443	14.4
93.03467	2.7
95.01384	2.4
95.05045	2.1
96.96007	3.8
97.02924	1.4
97.06572	1.1
98.20629	1.8
99.00890	10.1
101.02441	16.9
111.00861	1.5
111.04507	2.0
113.02451	11.7
119.03508	2.3
119.05019	1.0
123.03485	1.1
125.02432	3.2
131.03508	2.2
143.03482	1.2
149.04553	9.5
155.03479	4.2
159.02988	2.2
161.04607	9.5
163.03989	1.4
171.10179	1.5
179.14400	11.7
180.14633	1.2
191.05597	2.6
203.05618	3.1
217.03464	1.4
237.18576	12.0
399.23807	1.7
432.51477	1.1
441.24771	4.7
497.94470	1.0
513.26904	2.3
531.28223	15.0
532.28204	1.6
542.61322	1.0
573.29150	100.0
574.29388	12.5
598.13171	0.9
617.27814	1.7
618.35193	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	615.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53788	0.7
57.03434	0.9
59.01379	32.8
81.03447	1.6
93.03439	1.7
98.20737	2.1
99.08149	0.9
119.05026	6.3
123.08160	0.7
125.02464	2.3
125.06062	2.1
137.02437	1.3
139.11292	7.5
149.04492	1.0
155.03484	0.9
155.07129	2.4
163.04039	6.0
163.11263	1.3
165.09192	11.6
166.09544	0.8
173.04565	1.8
181.12332	12.7
183.10199	5.4
191.05592	1.2
199.13429	3.5
206.87088	0.7
209.08200	38.6
210.08504	1.4
212.06660	0.8
225.11316	2.0
230.00301	1.5
243.12366	100.0
244.12769	5.3
269.53952	0.9
371.13416	3.7
615.19214	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14380	0.7
56.05046	0.7
58.92387	0.7
59.01378	100.0
59.10391	0.7
60.01703	0.9
61.98823	1.1
70.88815	0.7
71.51652	1.0
77.28573	0.7
88.50469	0.7
90.97157	1.3
115.02511	5.2
117.00436	4.5
118.96709	0.9
126.51542	0.8
132.98207	4.8
141.00522	0.7
157.03625	0.9
159.01491	56.7
160.01707	2.4
174.99234	33.4
175.99579	0.7
189.98209	0.6
192.95915	2.7
200.88753	0.7
201.02556	10.2
217.00284	80.0
218.00743	1.6
218.98326	0.8
232.98346	2.1
259.01617	1.4
274.99298	5.7
290.97324	2.9
299.58722	0.9
301.02658	24.3
302.02936	2.9
317.00403	55.5
318.00494	3.4
332.98160	19.7
348.96204	1.1
359.01498	5.4
374.99188	35.6
375.99295	1.4
390.97232	1.2
409.00543	0.8
432.98029	1.1
459.01648	5.1
474.99277	31.5
475.99588	2.7
514.98022	1.6
555.00494	1.2
556.98322	39.6
557.98560	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15135	1.2
57.03452	2.5
81.03431	1.9
83.01389	4.6
85.02946	1.8
87.26170	1.5
93.03464	2.7
95.05017	4.2
97.02950	7.1
103.18168	1.4
109.02949	21.6
119.05028	27.6
121.02980	3.6
123.04504	13.1
125.02438	17.5
135.04500	1.7
137.02417	11.5
138.03224	1.9
139.04027	3.1
145.02956	1.8
149.02438	3.3
150.03275	2.8
151.03961	7.1
159.04498	1.7
161.06058	4.3
162.03209	2.0
163.03996	25.4
164.01161	4.0
164.04472	1.4
165.01897	3.6
167.03329	1.6
175.03963	2.2
175.07542	1.5
179.03452	5.0
187.03981	2.9
188.04767	4.5
202.06401	1.6
203.07086	11.2
205.05058	5.6
221.08101	2.6
245.08174	13.6
279.59729	1.6
289.07184	100.0
290.07529	5.7
325.09119	2.7
343.45142	1.6
355.42316	1.7
613.55969	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	614.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82659	0.6
57.03449	9.0
59.01378	4.6
61.98825	3.6
67.01883	0.6
69.03460	1.6
71.01385	2.2
71.05020	21.2
73.02932	0.8
81.03485	1.8
83.01402	0.7
83.05026	4.3
85.02962	1.7
85.06600	0.6
85.80520	0.6
87.00894	1.4
89.02490	1.1
93.03461	10.6
96.08200	1.2
96.96042	1.8
97.06623	1.1
100.42732	0.6
101.02429	0.8
109.02952	1.2
111.04530	8.1
111.08160	2.0
113.06068	3.7
114.09268	3.0
125.02466	1.5
125.09746	1.0
126.92946	0.6
127.04026	0.9
131.07135	2.0
137.02451	2.0
143.10782	25.9
144.11185	0.8
149.04579	1.3
155.03491	9.2
167.14413	39.8
168.14767	1.5
173.04546	21.4
180.13945	0.7
181.49431	0.7
185.11807	10.3
191.05600	4.9
210.15009	1.4
211.13387	56.4
212.13741	3.1
226.18211	1.6
228.16080	1.4
229.14433	45.9
230.14832	2.2
239.16489	1.1
249.49228	0.7
254.17606	4.4
272.18661	38.6
273.18997	1.7
281.21228	9.8
299.22195	2.0
325.20178	5.9
326.23462	5.7
331.11816	0.7
422.29163	3.2
440.30157	100.0
441.30450	8.4
583.18536	0.8
614.35419	80.3
615.26373	1.4
615.35846	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	615.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00861	0.5
55.01894	0.9
57.03462	2.3
59.01381	5.1
61.98849	4.1
67.01892	1.0
69.03455	11.6
71.01371	4.8
71.53362	0.9
72.99314	2.8
73.02952	1.1
75.00874	9.6
79.01884	0.9
79.95734	5.8
83.01379	1.1
83.05045	0.7
85.02950	8.2
87.00862	3.2
89.02440	3.0
93.03465	5.7
95.01408	0.9
96.96014	100.0
97.02956	2.8
99.00894	6.6
99.04500	0.8
101.02409	1.0
103.00344	0.7
107.80383	0.6
109.02960	0.7
111.00879	2.9
111.04523	2.8
113.02432	4.2
116.92837	0.7
119.03526	0.6
119.05025	2.2
125.02463	1.5
125.44822	0.6
129.01939	1.6
137.02403	1.5
141.01939	1.1
152.01064	0.6
155.03481	2.3
157.01344	0.8
163.03984	1.3
173.04543	3.1
185.00905	11.7
191.05612	17.2
223.13329	0.8
269.08206	1.6
271.02493	1.5
281.08090	1.5
283.09436	0.8
299.09308	0.8
299.68326	0.6
300.02719	3.0
314.11508	1.8
315.12479	0.9
316.25049	0.6
327.08655	3.1
327.12268	1.2
329.14001	1.1
330.65039	0.9
428.14584	1.3
429.17349	2.0
439.10666	46.9
440.10593	3.4
441.17395	2.7
443.16971	2.1
445.14777	1.0
466.06168	0.6
505.16949	2.9
517.16864	1.5
535.18176	12.8
536.18408	1.1
579.13208	2.2
579.29950	1.7
615.13568	43.9
615.22247	5.0
616.13867	6.3
641.99640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
59.01373	1.2
61.98835	2.1
69.03457	2.2
69.63651	2.7
71.01380	1.7
72.99317	1.2
73.02951	0.8
83.01362	0.5
85.02939	2.2
87.00871	0.6
89.02444	1.0
90.86316	0.4
95.01391	0.7
97.02989	0.5
99.00861	0.7
101.02465	0.8
107.01398	0.5
108.02170	48.6
109.02982	8.2
113.02452	1.5
120.01112	0.4
121.02930	0.8
123.00954	0.6
125.02437	0.5
133.02966	0.7
135.04514	0.9
139.11261	1.8
149.04510	2.2
151.03978	0.8
152.01147	91.4
153.01877	3.9
161.04538	1.0
163.04024	3.8
177.01906	1.0
179.03432	1.2
179.08434	0.4
183.10234	1.8
196.48175	0.5
207.02995	0.9
234.49394	0.5
247.09743	1.4
275.09271	1.5
285.04083	3.3
297.06100	1.1
315.07162	1.1
429.10330	12.2
430.10794	1.1
437.14651	0.8
447.11353	4.5
461.07062	1.5
613.21338	100.0
614.21600	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	614.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70002	0.1
51.86815	0.1
57.03450	0.1
59.01386	0.3
61.98832	100.0
62.98524	0.1
64.57874	0.1
71.53568	0.1
72.18900	0.1
72.47514	0.1
85.02953	0.2
89.60925	0.1
92.05080	0.1
96.96024	0.3
101.02435	0.1
163.04028	0.2
173.04471	0.1
183.13947	0.4
189.86372	0.1
191.05653	0.1
227.12912	0.8
236.03752	0.1
278.51028	0.1
283.71204	0.1
305.61835	0.1
389.18411	0.7
502.61133	0.1
554.95538	0.1
567.22900	0.1
614.23169	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	11.3
59.01382	5.9
59.96564	0.5
60.99307	0.8
61.98826	2.8
67.01884	1.8
69.03468	1.3
69.74598	2.4
71.01399	2.4
71.05023	61.8
72.05349	1.0
73.02950	1.2
73.96212	0.5
81.03468	1.9
83.05024	2.8
85.02944	1.4
87.00851	2.6
93.03461	18.6
97.06540	0.6
98.19895	0.9
99.04533	0.7
109.02940	0.8
111.04529	8.7
113.06097	2.9
122.99192	0.5
125.09718	2.0
129.01971	1.2
137.02452	1.2
143.10779	65.8
144.11113	1.3
149.04596	0.6
155.03510	9.0
167.14427	8.5
173.04547	16.7
185.11830	32.7
186.12169	1.8
191.05598	5.0
209.11781	0.9
211.13373	10.5
212.13846	0.7
226.29425	0.6
229.14430	7.7
254.17592	6.2
272.18646	14.9
273.18924	1.2
361.84268	0.5
431.29028	0.6
440.30148	100.0
441.30566	8.3
614.35431	68.1
615.26501	1.1
615.35693	8.6
633.83606	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84552	0.7
57.03423	1.1
59.01379	21.3
61.98839	4.1
69.03442	0.9
71.01385	9.1
71.53431	1.0
72.99331	0.9
73.02945	10.0
73.31634	0.8
83.01382	3.6
84.72491	0.7
85.02941	3.1
87.00855	3.9
89.02447	35.2
90.02808	0.8
93.03452	1.2
96.10444	0.9
96.96011	1.5
101.02432	4.3
103.00391	4.0
103.03989	2.0
105.03429	1.1
108.02170	3.9
109.02979	1.7
113.02465	2.5
121.02934	1.1
125.02424	1.6
131.03508	10.8
137.02435	1.4
149.02443	3.1
149.04555	99.7
150.04897	1.5
152.01154	8.3
153.01784	0.9
155.03467	1.0
161.02425	2.0
161.04558	1.2
163.03967	2.4
165.02188	0.9
173.04553	1.7
175.03954	1.0
179.03560	1.2
191.01891	1.1
191.03540	1.7
191.05574	2.5
193.44028	0.8
217.03416	1.2
217.05092	11.4
218.05823	22.4
232.07230	1.2
233.08168	4.6
234.33432	0.8
245.08130	1.5
247.09744	54.0
248.10016	3.3
257.08145	3.0
259.09802	1.4
273.07623	2.1
275.09241	100.0
276.09445	5.6
285.04016	8.3
286.04108	1.0
287.09253	15.1
299.09476	1.6
305.10312	28.6
306.10632	1.9
307.06757	3.9
317.10110	3.5
337.07806	6.2
341.10339	2.1
359.11502	6.6
360.12119	1.0
377.12381	9.8
395.13400	21.7
396.13788	1.2
419.13541	1.3
429.10736	1.0
437.14505	57.9
438.14932	5.3
461.07281	3.6
463.12415	25.4
464.12643	2.4
465.26740	1.9
606.75653	1.0
613.19293	11.5
613.29932	1.5
614.42151	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01468	0.7
57.03445	4.6
58.00576	1.0
59.01381	49.3
61.98821	1.7
63.80410	0.7
71.01381	13.8
71.36872	1.6
72.99303	1.8
73.02943	1.5
81.03453	3.1
83.01376	2.8
83.05038	0.9
85.02951	6.3
87.00877	2.2
89.02438	11.2
93.03460	1.3
95.01394	2.6
95.05013	1.6
97.02981	1.9
99.00876	1.1
99.04510	10.1
101.02442	8.2
108.02189	1.2
109.02981	2.4
111.04502	1.6
113.02451	7.2
117.03461	1.2
119.03513	4.0
119.04994	1.2
120.99644	0.9
121.02957	1.0
121.06556	0.7
123.04531	3.1
125.02454	21.9
129.01961	1.8
131.03543	1.1
135.04486	1.8
137.02449	6.0
137.06032	0.9
138.03114	0.8
139.04015	1.0
143.03485	1.0
148.01596	0.8
149.02405	1.6
150.03258	1.7
151.00359	1.5
151.03998	1.9
152.01183	1.8
152.04710	0.8
159.04465	1.5
159.08315	0.8
163.00436	1.1
163.04027	1.0
165.01939	6.0
165.05515	1.4
165.12828	2.9
167.03494	15.8
173.04517	1.2
175.03796	0.7
177.01933	2.0
177.05431	0.9
178.99870	0.8
179.03513	2.6
181.05144	1.1
183.04550	1.0
187.04007	1.5
189.12756	1.1
191.01872	1.1
191.05478	1.2
193.01468	0.8
197.04396	0.8
199.03908	0.9
203.03505	1.4
203.07129	5.2
205.04988	1.3
207.02965	0.8
207.13890	11.2
209.04552	4.5
209.11826	24.1
210.12045	1.0
213.05484	1.0
215.03438	2.5
221.08131	0.9
225.14992	7.3
227.03427	1.9
227.12862	1.1
228.04124	0.9
229.04985	1.0
239.05566	3.5
241.05138	1.3
243.02975	1.1
245.04590	0.8
251.12906	10.8
255.02936	3.5
256.03357	1.8
257.03891	2.4
263.05417	1.3
269.13940	52.3
270.14221	1.9
271.02441	6.6
271.05347	0.9
271.05908	0.7
272.02792	5.7
273.02975	5.2
275.05698	2.1
285.03796	1.0
286.04803	1.0
287.05679	2.5
287.14780	1.5
300.02719	10.8
301.03149	10.5
302.03268	12.1
303.03839	1.4
311.15045	1.9
329.06454	1.1
371.07684	3.4
371.17197	0.9
385.09772	0.8
389.13516	1.0
389.18152	1.5
401.08701	1.9
412.08044	1.1
425.08813	1.3
431.19165	16.3
432.19098	1.0
443.09735	3.0
445.11325	2.2
449.20267	100.0
450.20679	7.9
467.09540	1.9
473.10553	1.2
479.25476	1.1
485.10574	1.3
491.12149	1.3
491.21371	1.8
524.95764	0.8
551.23560	1.2
575.13025	1.0
593.12732	5.0
611.15002	29.0
611.25787	13.3
612.15088	2.3
612.25171	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63261	14.1
57.98046	14.4
59.01390	26.0
61.98833	100.0
71.64160	15.0
72.69827	14.7
74.88897	13.7
78.95927	30.1
96.96020	58.0
96.96962	22.6
127.76771	13.8
157.65884	18.8
173.04613	15.0
188.94806	15.5
375.39746	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	611.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83298	1.0
57.03450	2.3
59.01398	1.3
62.37545	0.9
65.99114	0.8
66.83294	0.9
67.01865	0.8
69.03472	1.2
71.01388	3.2
73.02946	1.5
77.96308	0.9
80.34264	0.9
81.03456	11.3
83.01379	13.3
85.02926	1.5
86.69598	0.9
93.03444	3.1
95.01365	4.8
95.05010	7.4
97.02955	10.3
99.04532	7.6
105.97259	1.0
107.05025	1.9
109.02954	4.3
111.04531	4.5
113.02467	2.9
117.03477	3.1
119.04997	1.2
121.02958	3.7
121.06564	1.4
123.04524	28.8
125.02447	38.2
125.06091	1.3
135.04532	5.0
137.02440	9.6
137.06102	3.6
139.03993	3.8
143.93834	0.9
147.04462	1.3
149.02496	2.6
149.14407	1.0
151.04021	6.3
153.05592	3.9
155.03539	2.9
161.02408	1.5
163.04010	2.7
165.01888	2.6
165.05553	4.1
167.03497	48.7
177.01955	1.8
177.05565	1.1
179.03484	12.4
181.05035	2.2
191.03523	3.6
193.04987	2.0
197.02905	1.4
197.04556	15.5
198.04929	1.2
204.54541	1.0
207.02867	1.3
209.04544	100.0
210.04840	3.0
221.04553	4.1
239.05611	72.6
240.06004	3.4
251.05595	6.6
269.06631	33.6
270.07108	1.4
277.03525	1.8
281.06625	2.7
285.59381	1.0
293.06781	1.8
307.04593	1.4
311.07678	8.7
329.08789	20.7
330.09076	1.3
341.08823	7.1
359.09836	7.2
365.55765	1.2
371.07687	47.0
372.08038	5.1
383.07684	1.5
387.33096	1.0
401.08743	35.9
402.09030	3.3
413.09052	1.0
431.09802	9.5
432.10675	1.3
449.13092	8.2
473.10855	6.8
491.11948	25.9
492.11951	2.3
503.11749	3.9
521.13123	4.5
593.15137	2.2
611.16150	13.1
612.16498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
57.06288	0.7
59.01381	3.4
66.37738	0.8
67.01879	3.4
69.03459	1.1
71.01398	3.8
72.99321	0.8
73.52374	0.7
81.03441	0.8
83.05022	1.6
85.02940	1.9
87.00874	1.3
89.02443	1.1
93.03458	23.2
101.02435	0.9
109.02921	1.9
111.00841	0.9
111.04530	5.5
113.02441	1.3
119.05022	12.9
125.02448	4.6
128.03532	0.8
136.49606	0.7
137.02420	4.7
149.34799	0.6
151.00325	0.8
154.01526	0.9
155.03513	4.1
160.54532	0.6
163.04010	17.0
167.03450	1.7
169.01408	1.4
173.04543	100.0
174.04922	2.4
177.01938	1.6
191.05606	2.9
209.48907	0.7
227.03603	0.7
255.02986	1.9
271.02530	3.6
299.01910	0.9
300.02661	5.5
305.06723	0.9
337.09256	33.2
338.09628	2.0
608.71863	0.8
609.14514	7.1
610.15338	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	610.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02930	0.4
57.03451	3.5
58.70091	0.5
59.01370	2.8
61.98831	99.0
69.63844	0.5
69.64143	2.5
71.01396	0.8
77.76682	0.4
78.95904	5.8
81.03457	2.5
83.01386	7.3
85.02949	0.6
87.00898	0.6
88.98817	2.2
93.03465	0.8
96.96960	0.5
97.60664	0.5
98.19885	0.6
99.53672	0.5
101.02441	0.7
102.05069	0.5
119.05009	0.5
123.04527	24.6
124.01632	0.4
125.02448	55.5
126.02834	1.2
129.56557	0.4
133.86827	0.4
135.04533	0.9
137.02405	0.7
149.02469	1.1
151.00330	2.0
152.99562	2.0
163.03987	0.8
165.01884	0.7
166.02704	3.6
167.03493	71.8
168.03831	1.8
173.04543	0.4
175.04010	0.8
176.04832	2.0
177.01898	0.5
179.03493	4.7
187.07623	0.8
191.03490	1.1
195.00403	0.4
201.11342	1.4
205.08751	2.3
209.11839	3.0
210.12126	1.6
222.99652	0.4
227.12822	0.7
231.10184	0.6
241.08646	0.9
243.02963	1.2
259.09698	1.5
281.11761	0.6
288.06378	2.4
297.11346	1.1
299.12842	0.6
323.12924	1.5
364.12381	0.7
367.11731	2.5
381.12964	0.7
385.12915	100.0
386.13266	8.9
417.84689	0.5
432.26791	0.5
443.11432	0.9
547.18323	3.5
592.26019	1.5
609.26917	0.7
610.27216	3.6
635.02948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1458
Annotation	Rutine
Peak:m/z	Relative Intensity
52.90650	0.3
63.02383	0.4
65.00325	0.5
69.42300	2.1
83.01408	0.3
83.25026	0.3
84.95615	0.3
98.78201	0.3
107.01406	1.4
107.84321	0.3
108.02165	1.3
109.02932	0.5
121.02965	0.3
125.52080	0.3
135.00858	0.6
148.01660	1.3
150.69792	0.3
151.00375	5.0
163.00389	0.7
164.01083	0.5
178.99863	2.9
181.32280	0.3
183.04523	0.4
186.77280	0.3
190.99989	0.3
199.03952	0.8
215.03551	0.6
216.04178	0.6
226.02620	1.4
227.03502	2.7
243.02974	10.1
244.03465	0.8
254.02235	1.7
255.02977	23.5
256.03323	1.4
271.02463	54.0
272.02930	4.1
273.04047	0.6
299.02051	2.1
300.02734	100.0
301.03317	9.0
445.07571	0.3
609.14563	48.2
610.15015	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1253
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
57.03447	9.8
59.01374	2.6
67.01871	0.9
69.46813	4.2
69.47224	2.1
69.86221	0.9
71.01380	2.6
81.03452	2.8
83.01393	6.4
84.12759	0.8
85.02947	2.9
87.00864	2.1
90.94394	0.9
93.03440	3.1
93.87309	0.9
95.05023	2.2
97.02947	2.0
106.59999	0.8
108.02226	0.9
109.02938	10.0
111.04503	3.1
113.02461	3.5
118.48787	1.1
121.02961	5.0
123.00851	2.7
123.04524	1.5
124.01675	3.2
125.02445	100.0
126.02799	1.4
133.02977	2.3
137.02452	26.4
137.43956	0.8
138.03186	1.5
139.04025	13.0
147.02969	1.0
147.04584	1.0
149.02428	6.3
151.03984	4.9
159.04521	1.6
161.02414	2.1
163.00369	1.3
163.03964	2.2
164.01141	4.3
165.01929	11.8
167.03485	13.2
173.06001	1.5
175.03960	7.9
177.01930	71.0
177.05513	2.5
178.02359	3.0
179.03517	11.0
187.03978	3.8
191.03444	2.2
191.07207	2.0
193.05048	1.3
199.04048	1.1
201.05647	1.2
203.03479	2.9
204.04161	2.0
205.01459	1.2
205.05035	1.1
213.05536	1.8
214.02547	1.6
215.03522	2.7
217.01590	1.1
217.05083	3.2
219.06639	6.4
221.04581	4.7
225.05418	1.0
227.03485	3.3
228.04048	1.4
229.05081	3.8
231.06642	1.3
233.08180	1.3
241.05064	1.2
243.02957	6.9
243.06601	1.1
245.04477	1.7
253.04985	1.1
255.02945	15.7
256.03714	4.5
257.04483	3.1
259.02423	1.6
259.06039	1.1
260.03149	1.8
261.04086	4.5
261.07617	2.1
263.05426	1.2
267.07202	15.0
269.04544	2.6
271.02414	1.1
273.03885	5.9
282.01675	1.3
283.02515	14.2
285.04077	3.7
286.04565	1.1
287.05768	1.6
288.02777	1.2
297.04004	5.7
298.04413	1.8
300.02637	1.6
303.05045	8.8
304.05493	1.1
305.06653	61.3
306.06995	2.7
315.05145	2.2
355.08289	2.1
397.09134	1.3
423.07208	72.1
424.07593	5.7
433.08038	1.5
441.08237	20.3
442.08408	2.3
453.08191	1.6
471.09030	5.1
483.09268	6.4
565.13367	1.5
591.11517	3.0
609.12378	28.8
610.12665	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	609.1246
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
55.71628	0.8
57.03446	10.4
58.52868	0.8
66.27320	0.9
75.82452	0.9
81.03455	1.2
81.35916	1.1
83.01405	2.9
93.03468	3.5
94.20620	0.9
95.05019	1.0
97.02945	2.1
98.20647	3.0
98.68188	0.9
99.39700	0.9
109.02950	10.7
111.04524	2.9
121.02942	5.8
123.00889	3.2
123.04568	1.3
124.01669	1.9
125.02448	100.0
126.02778	2.9
130.58527	0.9
133.02950	1.7
135.04514	1.1
137.02434	24.6
139.04025	10.3
147.04503	1.1
149.02440	8.2
149.06046	1.5
151.04037	4.1
159.04573	1.5
161.02524	1.2
163.04012	1.9
164.01120	4.7
165.01921	12.0
166.02585	1.3
167.03491	12.5
175.03995	6.7
176.04607	1.5
177.01927	76.0
177.05447	2.1
178.02318	3.4
179.03517	10.7
187.04031	4.6
187.51546	1.0
191.03482	1.7
193.04993	1.2
194.77916	1.1
196.82930	0.9
201.05527	1.9
203.03596	3.0
204.04221	1.7
205.01517	1.8
205.76587	1.1
209.68524	1.0
211.03918	1.8
215.03342	1.4
217.05040	1.9
219.06645	8.0
221.04596	4.1
227.03499	1.3
229.04997	2.7
233.56386	0.9
235.42331	0.9
243.03023	4.9
243.06509	1.1
255.02998	14.2
256.03687	4.3
257.04550	2.0
259.06073	1.0
261.03998	3.4
261.07877	1.3
269.04535	1.9
273.04010	8.4
283.02493	7.3
285.04053	1.6
297.03976	4.7
303.05136	10.0
305.06647	63.9
306.07007	4.3
315.05014	3.4
355.08328	1.9
397.09311	2.8
423.07205	68.2
424.07562	5.5
441.08231	24.5
442.08609	2.6
483.09247	7.2
591.11279	1.4
609.12396	12.7
610.13129	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	12.2
62.89573	0.9
70.36328	2.5
70.36669	1.1
81.03470	1.5
83.01394	3.1
86.40992	0.9
93.03467	3.6
95.01430	2.1
95.05048	1.0
97.02929	1.6
98.19903	1.1
105.03455	1.2
107.05009	1.9
109.02953	11.3
111.04522	2.9
121.02969	4.7
123.00895	4.6
124.01646	3.0
125.02446	100.0
126.02784	1.8
131.05035	1.3
132.98410	0.9
133.02954	2.4
135.04518	1.3
137.02446	25.6
138.03281	1.9
139.04024	12.5
139.37613	1.0
149.02452	7.0
149.06036	1.4
150.81612	0.8
151.04036	3.7
159.04527	0.9
161.02490	2.2
163.03984	3.3
164.01131	5.4
165.01912	12.7
166.02599	1.1
167.03487	12.6
168.03917	1.1
173.06177	1.1
175.03969	8.5
176.01288	1.2
177.01923	73.1
177.05545	3.3
178.02354	3.8
179.03484	11.7
187.03983	4.0
191.03421	1.2
191.07118	1.6
199.03957	1.5
203.03484	2.6
204.04147	1.9
211.04004	2.1
213.05614	1.8
217.05101	1.9
219.06602	9.0
221.04552	5.2
227.03455	2.1
228.04276	1.2
229.05009	3.3
231.75327	0.9
243.02966	5.9
243.06589	1.0
255.03003	17.9
256.03717	4.5
257.04523	3.1
261.04095	3.4
261.07727	2.7
263.05417	1.3
269.04514	1.8
273.03955	5.8
281.04379	1.0
282.01736	1.8
283.02490	13.1
285.04044	4.1
288.02667	1.1
297.03967	7.5
298.04593	1.6
303.05103	7.4
305.06650	73.7
306.06961	4.4
315.05084	1.5
355.08154	1.9
397.09177	1.8
423.07190	81.6
424.07620	7.8
441.08212	24.0
442.08655	2.0
483.09381	6.6
583.12201	1.0
591.11407	1.1
602.83771	1.0
609.12415	11.7
610.12512	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1245
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
55.74837	0.8
55.89571	0.8
57.03449	11.4
59.44495	0.8
63.28036	0.9
70.66418	1.7
73.17712	0.9
76.19267	0.8
81.03458	2.3
83.01399	2.9
93.03465	3.4
95.01399	0.9
95.05006	2.2
97.02956	1.7
107.04970	1.2
109.02944	12.8
111.04514	3.9
112.37482	0.8
119.05023	1.0
121.02968	7.2
123.00882	4.6
124.01662	2.9
125.02447	100.0
126.02776	3.1
131.05063	1.5
133.02934	2.4
137.02446	23.2
139.04018	12.1
149.02423	8.6
149.06111	1.2
151.04085	4.1
159.04489	1.2
161.02425	2.4
163.00471	1.5
163.03992	2.0
164.01170	4.3
165.01936	12.2
167.03519	13.5
175.03996	8.3
177.01929	74.8
177.05431	2.6
178.02328	3.8
179.03510	9.3
187.03909	4.4
189.05513	1.1
191.07111	1.9
193.05083	1.7
199.04070	1.3
203.03508	2.6
204.04274	1.5
205.01392	2.4
205.05013	1.0
211.04033	2.6
213.05579	2.0
215.03542	2.8
217.05122	1.9
219.02980	0.9
219.06555	6.8
219.98651	0.9
221.04520	3.9
227.03488	2.1
228.04398	1.3
229.04988	3.8
243.02963	7.1
253.05110	1.9
255.02969	19.5
256.03671	6.6
257.04465	3.2
261.04099	3.5
261.07675	2.4
269.04535	3.6
273.04077	5.4
274.05222	1.0
280.03708	0.9
282.01602	1.2
283.02460	13.0
284.02927	1.2
285.04062	4.0
288.02679	1.2
297.04013	6.8
298.04599	1.3
299.05585	1.3
303.05142	8.7
304.05554	1.0
305.06650	62.4
306.07037	2.6
315.05151	2.3
345.06204	1.0
355.08176	3.4
397.09286	1.9
423.07208	80.9
424.07550	8.1
441.08264	26.2
442.08694	2.7
465.07813	1.1
483.09167	5.7
591.12238	1.1
609.12531	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	608.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79287	0.2
55.43811	0.2
57.32424	0.2
59.01369	0.6
60.99311	0.2
61.98830	100.0
71.01382	0.3
75.00870	0.4
78.95919	0.4
83.09505	0.2
85.02929	0.2
87.00918	0.2
88.98815	1.3
89.02435	0.2
96.96002	0.4
103.00362	0.4
125.02447	0.9
137.02460	0.3
150.04306	0.2
161.06277	0.2
165.01991	0.3
167.03491	0.3
174.24405	0.2
177.02008	0.3
209.11948	0.3
209.99539	0.2
210.12122	0.2
211.13416	0.5
229.42599	0.2
271.02750	0.3
278.48859	0.2
289.74780	0.2
300.02774	0.4
609.14691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42477	0.2
59.01382	0.3
61.98830	100.0
62.21826	0.1
69.24977	1.1
71.01379	0.4
78.95910	0.4
85.02976	0.2
98.20756	0.3
104.03487	0.2
109.43694	0.2
115.55798	0.2
125.02470	0.4
137.02480	0.5
152.99635	0.4
165.12827	0.2
177.02020	0.2
191.86150	0.2
192.43655	0.2
192.45450	0.2
209.11916	0.5
211.13432	0.5
225.73083	0.2
230.03290	0.2
241.70155	0.1
271.02380	0.2
285.04047	0.8
300.02670	0.3
609.14557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54722	0.2
59.01384	0.3
61.98830	100.0
69.58628	1.0
71.01402	0.3
78.95911	0.7
79.36393	0.2
79.95751	0.2
111.08073	0.2
125.02464	0.5
136.73033	0.1
137.02472	0.3
146.04623	0.2
165.01945	0.2
209.11940	0.3
211.13466	0.2
285.04205	0.4
287.05838	0.2
300.02646	0.2
318.63165	0.1
533.97339	0.1
572.65961	0.1
609.15167	0.2
609.26392	0.5
623.46271	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
61.98829	100.0
69.19736	0.3
69.20135	1.3
71.01390	0.2
74.83923	0.1
78.95919	0.2
93.69553	0.2
114.15775	0.1
123.04523	0.2
125.02453	0.2
137.02475	0.2
155.88129	0.2
165.01962	0.2
209.11800	0.4
210.12097	0.2
211.13403	0.3
300.02606	0.3
328.13165	0.1
447.31989	0.2
455.91821	0.1
608.32251	0.2
623.53217	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1306
Annotation	Luteolin 7-glucuronide-4'-rhamnoside
Peak:m/z	Relative Intensity
55.47208	0.6
57.03449	4.5
58.00598	0.6
59.01378	13.0
63.02405	0.6
68.99823	0.9
70.70497	1.4
70.97038	0.5
71.01383	15.2
72.99310	3.1
73.02948	1.6
75.00876	7.1
83.01383	1.2
85.02950	30.3
87.00871	5.4
89.02448	3.0
93.03458	0.6
95.01392	9.6
99.00884	10.2
101.02459	1.3
103.00376	5.4
107.01376	1.5
109.02995	0.6
110.15489	0.7
111.00866	1.2
113.02453	60.8
114.02744	1.0
115.00366	3.1
117.01942	2.6
117.03501	2.1
125.02467	1.8
129.01950	2.6
135.02986	1.0
137.02440	0.8
138.50912	0.6
149.02438	1.7
151.00381	3.7
157.01460	1.1
165.01930	0.5
175.02478	23.0
176.02881	0.5
177.01955	0.6
196.05327	0.7
199.04039	0.8
209.11826	1.5
225.05560	1.3
239.03465	1.3
240.04276	2.5
241.05025	0.5
251.60577	0.6
267.02866	1.2
268.03763	74.7
269.04538	100.0
270.04910	6.1
277.08444	0.6
281.04480	0.7
282.05261	1.5
283.06100	0.9
303.86703	0.6
311.05606	3.7
341.06796	0.8
359.14923	0.7
383.08084	0.7
427.06799	0.7
431.09827	47.8
432.10254	4.9
445.07690	9.3
465.46039	0.6
473.10645	0.9
487.09030	0.8
516.91058	0.6
607.13000	38.9
608.13495	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	607.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32669	0.7
52.65396	0.8
59.01373	1.6
61.98832	49.2
70.38390	2.4
78.95905	100.0
80.02692	0.9
81.03459	1.8
83.05036	6.5
84.02176	1.6
88.90371	0.7
88.90938	0.7
88.98817	0.7
96.96956	11.7
104.17990	0.6
106.43932	0.6
112.16885	0.7
125.02437	1.8
134.98573	0.8
135.08145	1.8
150.97992	0.8
152.99585	73.4
153.99937	0.7
163.11319	5.0
165.12843	3.0
171.00591	1.2
181.12283	1.1
183.13884	4.5
193.12321	1.6
209.11821	80.3
210.12170	4.2
211.13390	53.9
212.13722	1.9
227.12875	9.7
347.12625	15.2
363.12134	25.9
364.12543	1.2
365.13684	5.0
371.22189	0.9
381.13168	8.1
395.14761	19.1
396.14868	0.9
413.15637	3.5
446.76349	0.8
575.26215	64.1
576.26556	6.5
607.28967	26.2
608.29248	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	606.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02228	0.2
59.01373	0.3
61.98830	100.0
65.20329	0.1
66.55293	0.2
69.16730	0.6
69.17157	0.9
72.76221	0.2
76.86672	0.2
78.95921	0.7
81.06651	0.2
89.54700	0.1
98.19852	0.3
106.02901	0.1
152.99622	0.3
209.11880	0.6
211.13510	0.2
217.07007	0.2
363.12305	0.2
372.19348	0.2
492.94241	0.2
546.30536	0.2
575.26471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	21.7
59.01373	9.0
69.03451	3.2
69.87694	12.6
69.88055	5.8
71.01376	7.6
72.26240	3.1
78.95914	4.8
81.03447	13.9
83.01394	7.8
83.04976	4.0
84.03535	3.0
85.02943	10.6
87.00874	3.8
89.02446	4.7
93.03461	9.3
95.05020	10.7
96.96948	6.3
97.02955	6.9
98.20567	5.0
99.04516	12.8
107.05041	4.2
109.02943	8.6
111.00864	3.7
111.04559	3.4
113.02449	6.2
123.04528	7.6
125.02446	89.8
137.02448	33.5
139.03992	4.7
145.03012	4.2
149.02441	5.3
151.03966	11.1
159.04488	7.0
161.02473	4.3
163.03983	7.4
164.01144	44.1
165.01898	12.2
167.03503	37.1
169.02943	7.0
171.04559	4.4
173.05939	5.0
175.03952	6.0
177.01939	31.2
179.03505	100.0
181.05075	3.3
183.04469	6.6
185.02362	4.5
185.06035	5.4
186.19122	3.1
187.03983	9.0
189.01865	4.9
191.01976	4.1
191.03558	6.8
191.05598	5.3
195.04544	5.9
197.02327	5.4
198.03227	3.7
199.04021	9.9
201.01894	8.4
201.05495	7.5
203.03543	5.2
209.11801	5.4
211.03951	9.0
212.04785	4.7
213.01884	7.6
213.05557	5.3
214.02716	4.9
215.03459	19.9
216.04271	3.3
217.04945	5.3
223.03958	6.3
223.07613	3.8
225.05528	6.5
227.03467	32.6
228.04185	3.5
229.01350	8.1
229.05016	12.2
230.02084	4.5
231.03020	6.3
239.03476	9.0
240.04280	3.8
241.05011	16.7
242.02153	8.3
243.02942	16.9
243.06673	4.9
245.04439	11.5
251.03448	12.0
253.04916	7.8
255.02991	24.3
256.03802	5.9
257.00894	7.7
257.04556	19.8
258.01706	5.0
259.02432	75.6
259.05374	5.8
260.03174	46.7
261.04013	10.8
267.02911	13.3
267.06384	3.4
268.03751	6.8
269.04517	22.8
269.07990	2.6
271.02380	8.7
272.03186	7.7
273.04053	40.5
279.02914	9.6
283.02487	23.4
285.03986	16.2
286.04691	8.4
287.01913	12.8
287.05542	6.2
288.02570	4.6
289.03583	4.3
293.04614	3.7
295.02432	13.4
296.03198	7.4
297.04053	33.2
299.02048	19.3
299.04993	3.7
300.02649	5.8
301.03418	16.8
303.05048	9.5
305.07419	3.5
309.04025	4.8
312.02707	10.1
313.03488	42.2
315.05112	59.8
319.02509	7.4
325.03412	10.2
337.03543	20.0
343.04544	48.1
344.04526	4.3
353.06784	5.0
355.04504	35.9
395.07602	9.4
419.08008	4.9
421.05524	21.8
423.07440	6.0
426.05807	14.6
427.06522	4.7
431.09561	4.4
437.08646	4.2
439.06689	49.7
441.08167	13.9
451.06555	7.3
453.08478	4.0
463.06512	19.3
469.07828	41.6
469.37387	3.7
481.07785	68.7
482.07910	8.8
545.11450	4.6
563.11908	8.7
589.09662	9.2
607.10919	87.6
608.11316	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	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64850	1.2
57.03446	1.3
59.01378	24.7
61.47073	1.3
61.98838	14.5
62.23091	1.3
69.16801	9.2
69.17213	3.6
69.54321	1.2
71.01031	2.2
71.01375	11.8
73.02942	1.9
77.45681	1.3
78.95896	2.6
85.02937	3.3
87.00882	2.7
89.02438	10.7
91.89738	1.4
95.01357	1.6
101.02438	9.5
109.06562	1.9
111.08163	16.3
113.02416	4.5
116.92870	1.7
119.03493	2.5
119.05025	2.6
125.02467	1.7
136.65865	1.7
151.11324	1.8
153.12852	1.9
161.04520	5.2
163.03995	2.6
169.12305	9.0
183.13853	1.5
197.11821	80.4
198.12132	2.6
199.13351	5.8
207.17383	1.4
209.11806	2.3
211.13408	12.7
227.12961	1.7
253.09277	50.9
256.23712	1.7
263.20239	3.6
264.12396	1.3
265.18094	1.9
273.18683	1.8
291.19629	26.5
309.20709	100.0
310.21027	6.0
545.29572	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	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	29.9
61.98829	44.5
70.53056	12.9
71.01361	14.1
72.99307	8.4
78.95901	19.9
85.67285	4.0
88.98780	5.5
89.02445	12.3
96.95974	5.1
101.02406	22.0
102.08634	4.1
111.08150	16.5
113.02411	7.3
116.92846	12.5
119.03458	5.9
125.02412	6.0
132.09090	4.4
152.99571	9.3
161.04501	7.2
169.12389	6.2
179.05635	4.6
196.43994	4.1
197.11830	72.5
209.11865	11.4
211.13448	11.6
253.09291	66.7
291.19617	30.8
309.20728	100.0
310.21201	7.1
402.91840	4.9
509.48969	6.7
530.43134	5.0
545.29425	7.2
587.26154	5.3
605.27197	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	605.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32024	0.5
55.01871	1.4
57.03441	2.0
59.01380	27.2
61.98830	0.6
69.03439	0.9
69.48791	3.3
70.20806	0.5
71.01380	29.1
72.99303	1.5
73.02946	12.7
81.03460	0.7
83.01387	7.6
84.32821	0.5
85.02952	12.4
87.00861	1.0
87.04469	0.4
89.02454	5.8
93.03454	0.6
95.01375	2.4
96.96024	0.8
97.02941	1.6
98.20626	0.9
99.00877	2.7
99.04479	0.5
101.02444	23.9
103.04005	1.9
113.02455	10.2
117.46715	0.5
119.03503	2.5
119.05048	0.6
125.02429	3.2
129.01941	0.9
131.03505	0.8
136.71579	0.5
143.03471	1.5
145.05029	0.6
149.58894	0.5
159.02997	1.9
161.04559	10.4
163.06116	2.2
169.24171	0.5
205.06963	0.8
247.08281	0.8
285.04257	0.6
307.10184	0.9
399.23846	14.9
400.24179	1.3
443.22916	2.4
545.29651	100.0
546.30017	9.1
605.26532	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	605.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68317	0.2
59.01374	0.3
71.52197	0.3
75.57132	0.2
78.95905	36.3
85.02972	0.3
86.90012	0.2
87.00887	0.2
87.72820	0.2
88.98808	0.4
96.96964	100.0
101.99360	0.2
105.01950	0.3
111.90508	0.2
119.05025	0.8
125.02460	0.4
125.82745	0.2
127.76384	0.2
137.02425	0.5
143.85925	0.3
163.03996	1.6
168.99074	1.2
191.05667	0.3
191.99783	0.3
218.14706	0.2
229.10593	0.2
229.54117	0.2
267.06381	20.5
268.06815	0.7
294.02344	0.2
302.72699	0.2
333.04407	0.3
337.09390	0.6
354.59998	0.3
474.73001	0.2
576.79938	0.2
604.01880	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66569	0.3
59.36411	0.3
61.98826	0.4
62.70325	0.3
69.92191	0.6
69.92596	1.6
93.63477	0.3
98.20641	0.5
162.43857	0.4
193.25470	0.4
221.97382	0.4
243.35861	0.4
429.17102	0.8
430.18042	1.3
443.18661	1.1
444.19394	0.7
457.14841	0.4
457.20462	1.4
459.17715	2.8
461.23672	0.6
470.21057	0.6
471.18335	1.1
472.18976	0.7
473.19751	4.7
474.20297	0.6
475.21426	0.7
485.19891	1.8
485.24191	0.9
486.20813	3.7
487.21152	1.2
496.18716	0.8
499.17697	1.7
500.18054	0.5
501.23926	2.7
502.20718	0.6
511.21478	2.2
513.19287	2.8
514.20111	7.7
515.20660	0.9
518.19647	1.6
528.21838	0.5
529.22430	100.0
530.22742	12.5
530.31177	0.6
532.21039	1.3
533.21552	1.9
561.24908	0.5
573.21484	1.1
580.72467	0.4
605.24030	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	605.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17759	0.7
55.27270	0.9
57.03448	1.4
59.01377	11.0
59.67681	0.8
60.98270	0.7
61.98827	9.4
71.01362	3.5
71.03955	0.7
71.53876	0.9
72.99297	1.2
73.02950	1.7
75.87534	0.8
78.95915	2.1
83.01411	0.8
85.02959	2.1
85.88180	0.8
87.00862	5.4
88.98772	2.7
89.02442	1.9
93.03436	1.4
95.01397	1.2
96.96005	12.9
98.95593	2.0
99.00867	1.1
101.02419	2.1
113.02457	2.3
115.92049	1.9
116.92834	1.8
119.03485	0.7
121.01636	0.7
123.08100	0.9
125.02422	1.4
125.09683	2.6
129.01971	0.9
137.02425	1.9
150.68193	0.8
161.04585	0.9
165.12827	1.4
167.05574	0.8
171.10252	4.3
195.14009	1.0
209.11893	1.0
227.12883	2.1
239.12874	1.3
250.08751	0.7
315.28827	0.8
321.24307	1.8
325.23593	1.1
339.25406	3.7
339.81668	0.8
354.72168	0.8
357.26486	4.7
365.23267	3.7
383.24359	100.0
384.24652	8.9
397.25806	3.2
425.25482	1.8
473.26978	1.5
545.29492	3.4
561.32526	3.3
605.28607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61135	0.6
57.03455	7.9
59.01381	16.9
61.98813	1.2
71.01386	7.3
71.08485	0.8
72.99308	2.6
73.02941	0.8
78.23056	0.8
81.03461	0.9
83.01372	2.4
83.05042	0.8
85.02948	19.7
87.00878	6.8
89.02464	4.0
93.02873	1.1
93.03461	20.4
99.00872	2.7
99.04518	2.4
101.02448	3.3
103.00374	5.2
109.02929	1.2
111.00874	4.9
111.04521	6.9
113.02454	2.6
119.03498	1.9
119.05010	1.7
125.02463	1.1
127.04005	3.0
129.01942	7.1
143.03403	0.6
155.03474	1.7
158.72606	0.6
160.28670	0.6
161.04547	0.7
161.13329	1.0
163.04012	1.1
171.02896	1.1
173.00911	2.2
173.04543	12.1
177.97327	0.7
179.05504	1.5
187.11212	1.8
191.01979	2.5
191.05605	100.0
192.05913	2.4
205.12312	3.8
223.07748	0.7
223.13425	2.6
229.12381	1.4
249.11255	4.7
267.12457	4.5
291.12372	0.7
309.13126	0.9
324.05960	0.7
379.17795	0.7
423.16568	5.0
429.17526	9.2
471.18698	1.0
500.64154	0.8
515.17560	6.6
543.27258	0.9
559.24103	1.5
561.16193	0.8
603.22992	58.0
604.23334	5.9
625.66833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76395	1.1
57.03435	1.1
59.01379	53.1
61.46115	0.8
61.98828	18.6
65.03481	0.8
69.20543	8.4
71.01376	6.5
72.99272	2.1
79.34010	0.9
80.02647	1.4
81.03454	1.6
83.05015	4.1
85.02932	1.3
87.00879	6.8
88.64366	0.9
88.98795	5.2
89.02462	4.6
95.05048	1.4
97.06571	2.1
98.20659	2.3
101.02445	5.4
113.02468	2.8
116.92876	4.9
119.03476	2.7
123.04482	2.0
123.08151	1.1
125.02442	0.9
125.09716	3.5
135.04480	1.7
135.08095	1.1
137.02455	1.1
137.09647	1.5
141.12775	1.3
161.04494	2.0
163.11266	5.4
165.12807	2.2
171.10242	7.0
176.49463	1.0
185.11813	2.4
191.10690	1.3
191.14415	4.9
209.11830	100.0
210.12102	3.9
211.13330	1.6
225.11270	1.7
227.12883	12.7
237.11316	1.8
245.19057	8.2
247.13255	1.2
253.09271	19.7
263.20209	2.4
271.06097	2.1
281.21127	1.3
289.18091	46.8
290.18430	2.9
307.19128	48.7
308.19446	2.8
493.10980	1.1
493.27869	1.3
511.29565	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	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99295	17.1
61.98844	1.2
68.82552	1.0
69.26860	2.7
69.27282	6.1
87.00875	3.7
88.00410	6.4
88.98806	100.0
89.02444	60.0
89.03012	1.7
99.55149	1.0
194.26778	1.1
246.99298	1.2
376.20367	1.2
603.19800	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	603.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	33.4
61.98839	5.0
66.36901	0.6
71.01340	0.7
71.16449	1.2
75.00834	0.7
80.02682	0.8
83.04997	3.2
87.00910	0.7
88.98812	1.3
90.85600	0.7
97.06528	0.7
101.02409	1.0
106.88142	0.7
115.92045	0.9
115.95933	0.6
116.92848	2.7
125.02502	0.9
125.06078	1.2
125.09690	0.8
126.40791	0.6
130.49683	0.7
135.08191	0.8
163.11255	3.2
165.12837	1.6
165.21773	0.7
171.10269	6.7
191.10876	0.8
209.11824	100.0
210.12117	3.2
213.58405	0.7
227.12840	9.7
241.33087	0.6
247.13486	1.3
265.14420	1.3
280.70639	0.7
289.17929	1.9
307.19217	1.5
331.22601	0.9
407.84784	0.7
449.24918	1.0
457.26031	0.7
475.26965	1.4
478.09644	0.7
493.28268	1.2
594.45172	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37223	0.3
55.01905	0.3
57.03452	2.6
58.00585	0.3
59.01381	7.0
59.11919	0.3
60.99309	0.5
61.98821	0.9
68.27795	0.3
69.03445	0.6
69.44891	2.2
71.01382	4.9
72.99303	0.3
73.02956	1.3
81.03452	0.7
83.01395	0.7
83.05034	0.9
85.02950	12.6
85.03471	0.6
87.00883	3.6
88.98793	0.3
89.02455	2.1
93.03455	11.2
94.03792	0.4
95.01429	0.3
96.95985	0.5
99.00880	0.7
99.04539	1.0
101.02450	2.0
103.00375	0.6
109.02969	1.5
111.00890	1.0
111.04526	2.7
113.02437	1.2
119.03522	0.6
119.05026	3.5
121.02924	0.3
125.02503	0.5
127.04007	2.1
129.01939	1.2
131.03484	0.5
137.02446	0.7
137.66644	0.3
143.03568	0.5
147.02972	0.5
149.02501	0.8
149.04570	0.3
150.03218	1.7
150.68091	0.3
152.96568	0.3
155.03506	0.8
161.04623	0.5
161.13364	0.7
163.04007	3.2
164.67793	0.3
165.01947	0.6
165.05559	2.3
166.06306	1.4
171.03035	0.7
173.00839	0.5
173.04558	4.7
179.05589	0.7
180.04262	0.7
181.08646	0.6
187.11188	0.5
191.05609	100.0
192.05965	2.5
195.06647	2.4
199.07928	0.5
205.12282	1.5
209.02988	0.4
225.07698	1.1
229.12155	0.4
249.11360	1.5
267.12363	0.5
324.11008	0.3
373.12933	1.0
388.67831	0.3
423.16519	3.0
429.17313	1.5
429.21442	1.7
515.17462	1.0
543.27692	1.5
555.22247	0.5
603.22919	41.7
604.23114	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.0
57.03716	0.3
59.01379	39.3
60.01717	0.6
64.33998	0.4
68.76972	0.4
69.03491	0.5
69.59505	0.4
71.01385	2.5
72.99286	0.6
73.02946	0.7
75.00874	0.4
77.99901	0.4
81.03471	0.6
83.01366	0.6
85.02937	1.8
87.00877	0.7
89.02457	1.2
93.03451	2.2
96.96004	1.0
97.06614	0.4
98.20665	1.0
99.00879	0.4
99.08157	13.7
100.08498	0.5
101.02447	1.6
109.02958	0.6
111.00912	0.4
111.04533	0.6
113.02452	1.1
119.05042	2.6
123.08142	0.4
125.02466	2.1
127.07660	15.2
128.08038	0.4
129.01915	0.6
137.02422	1.4
144.63753	0.5
145.08713	100.0
146.09081	3.2
151.00262	0.5
155.03496	0.7
163.04050	2.4
163.95235	0.4
165.01945	0.4
165.09218	3.7
173.04575	3.9
187.09760	53.5
188.10152	1.9
191.02005	0.9
191.05632	1.1
209.08185	22.1
210.08578	0.7
217.01500	0.7
357.06158	0.7
371.13461	3.3
423.09192	0.5
429.21140	1.6
451.10077	1.0
460.11044	0.4
471.21747	0.5
516.48438	0.4
531.69519	0.4
543.27881	1.9
561.29010	1.1
565.11676	0.4
603.25604	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	603.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83941	0.2
53.70537	0.2
53.89691	0.3
54.85450	0.2
57.03445	2.8
59.01377	7.7
60.99302	0.9
61.98821	0.4
65.04488	0.2
69.03459	0.7
69.20547	0.2
69.49029	0.5
69.49433	1.6
71.01382	4.2
72.99313	0.6
73.02950	0.9
81.03461	0.6
83.01379	0.9
83.05024	0.9
85.02946	12.0
87.00877	3.9
88.98805	0.3
89.02444	2.7
93.02863	0.6
93.03456	11.5
95.01382	0.5
96.96007	0.8
99.00889	0.7
99.04527	1.0
101.02451	1.9
103.00373	0.9
109.02959	1.1
111.00883	1.5
111.04513	3.2
113.02449	2.0
119.03487	0.9
119.05009	1.6
125.02467	0.5
126.90443	0.5
127.04024	2.1
129.01938	2.0
133.41995	0.2
137.02455	0.4
143.03473	0.4
147.02963	0.5
154.99896	0.3
155.03511	0.6
161.04556	0.3
161.13347	0.5
163.03996	1.2
171.03021	0.9
173.04518	4.8
178.80722	0.3
179.05632	0.6
187.11243	0.7
191.05598	100.0
192.05975	2.6
205.12311	2.3
247.13324	0.4
249.11278	2.6
267.12329	0.6
291.12244	0.3
329.22174	0.3
423.16589	6.0
424.16638	0.6
429.17441	3.2
430.17691	0.4
441.17920	0.4
515.17816	1.1
603.22937	36.7
604.23303	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	601.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.9
59.01374	0.9
61.98824	3.1
81.18577	0.6
97.06582	13.2
123.08152	6.7
125.09721	100.0
126.10049	2.9
132.61836	0.8
152.08823	0.7
169.08698	2.8
171.10275	3.9
187.09744	73.9
188.10129	1.3
211.13376	2.9
225.11346	1.1
229.47757	0.7
243.12369	1.4
252.84549	0.9
261.13412	10.8
269.04636	1.2
282.37451	0.9
413.21552	0.9
431.22894	17.4
432.22931	1.4
479.05365	0.9
601.32288	86.9
602.32483	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	602.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93049	0.2
58.74160	0.1
61.98829	100.0
62.98552	0.2
69.85453	0.9
70.59828	0.2
71.13956	0.2
77.65887	0.2
79.66194	0.2
93.33974	0.2
97.84143	0.2
98.19958	0.2
456.67154	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.2
59.01398	1.0
61.98827	0.3
62.12156	0.2
69.03461	0.2
70.90326	0.3
70.90652	0.2
71.01372	0.4
79.95737	7.8
85.02941	0.3
89.02451	0.3
95.95284	0.2
96.96011	100.0
101.02429	0.4
104.41203	0.2
108.02165	0.2
109.02943	0.2
110.97568	0.5
113.02411	0.4
116.92891	0.2
119.05009	0.3
121.02952	0.3
125.02428	0.5
137.02431	0.8
138.84721	0.2
151.03992	0.5
163.03868	0.2
165.01883	0.2
173.04578	0.3
255.06743	0.2
281.08163	0.6
283.09836	0.2
298.28070	0.2
315.12152	0.3
334.75427	0.2
476.17242	1.2
477.46109	0.2
601.15936	53.6
602.16339	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	599.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02869	0.8
54.11633	0.8
57.03423	1.0
59.01379	63.2
61.98833	1.2
70.50503	0.7
71.01368	1.8
71.53126	1.3
84.38710	0.7
85.02969	0.9
93.03394	0.9
96.96053	1.3
113.02480	0.9
115.00359	0.9
118.07589	0.8
119.05015	2.7
121.02949	2.6
122.03726	1.6
122.22915	0.9
125.02435	2.5
125.28224	0.7
132.29974	0.9
136.24664	0.7
137.02435	1.1
149.02434	43.0
150.03229	15.7
163.04021	6.0
163.23810	0.7
164.04776	11.5
165.01924	0.7
165.05554	22.5
166.06255	1.9
167.07166	2.5
180.04303	1.7
181.08656	0.9
182.00328	0.8
185.38510	0.7
191.05585	1.0
194.73576	0.8
195.06641	17.4
213.96400	0.8
267.65567	0.8
283.09644	1.9
314.08099	1.4
314.11594	21.2
315.11938	1.4
329.13928	100.0
330.14258	5.1
349.03827	1.0
377.16037	60.7
378.16119	3.8
445.20911	0.8
599.09497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.6
59.01373	0.8
60.25753	0.5
61.98832	4.0
66.52307	0.4
69.03444	0.6
70.53046	1.1
70.53412	0.9
71.01382	1.2
71.05022	3.2
73.02976	0.4
74.26081	0.5
78.95884	0.6
81.03449	1.1
83.05003	2.8
85.02968	0.9
87.00863	0.5
93.03458	8.5
97.06593	1.5
98.20538	0.6
99.08134	1.1
107.09934	0.5
111.04525	7.5
114.09264	1.4
115.07652	22.2
125.04550	0.5
127.04028	1.3
127.11318	0.7
128.10835	1.5
137.02460	1.2
137.70871	0.5
138.09254	0.9
139.61555	0.5
140.10834	1.1
145.40697	0.5
155.03499	8.3
156.10295	23.5
157.10701	0.7
158.11856	23.6
165.12874	0.8
165.58908	0.4
167.14410	25.5
168.14737	0.5
173.04539	19.4
182.15512	0.6
191.05624	3.0
211.13383	45.2
212.13763	1.7
212.16499	0.5
221.19063	0.7
223.17065	2.0
227.16473	0.5
229.14433	18.4
237.18538	2.5
241.18071	35.1
242.18417	1.6
247.17072	0.7
265.18085	12.3
265.21686	4.2
266.18451	0.6
267.19785	1.0
270.20795	2.4
272.18564	0.7
283.19159	17.5
283.22495	0.8
290.21265	0.6
302.61603	0.5
308.22302	8.2
309.20547	3.9
326.23392	4.1
337.27402	0.6
346.22964	0.5
424.30658	100.0
425.31036	8.5
598.35938	55.4
598.45953	1.0
599.36249	5.5
617.55322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91889	0.8
55.27759	0.7
57.03442	0.7
59.01373	0.8
61.98832	4.6
67.01868	1.0
71.01398	1.6
71.05014	6.9
71.52805	0.6
78.95907	3.2
81.03458	1.5
83.05026	2.8
84.08170	1.0
85.02948	1.3
87.00887	1.0
93.03458	8.8
97.06591	2.9
111.04524	8.9
114.37275	0.8
115.07643	7.1
116.92831	0.9
127.03986	0.7
127.11294	12.4
131.12215	0.7
137.02414	2.4
139.11292	0.8
151.11301	2.4
152.99554	1.6
153.12857	2.4
155.03525	10.6
158.11858	1.1
164.14458	1.6
165.12837	0.9
167.14407	42.8
168.14769	1.5
169.12338	33.9
170.12622	1.2
171.10321	0.8
173.04536	20.6
182.15497	3.5
184.17094	0.7
191.05574	3.7
211.13397	58.0
212.13757	1.2
212.16591	2.4
226.18095	1.5
229.14439	54.2
230.14789	1.6
241.18083	1.5
252.15701	1.0
254.17569	6.1
265.21671	7.6
272.18665	42.3
273.19061	1.5
283.19153	1.1
283.22699	0.7
299.09048	0.9
300.09595	1.2
309.20682	4.2
318.27054	0.7
326.23383	7.7
337.27396	1.3
376.28812	0.9
406.29495	2.5
424.30667	100.0
425.31042	9.1
439.09125	0.7
551.89124	0.7
598.35986	55.9
599.36621	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	599.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06216	1.4
57.03453	13.8
59.01362	3.4
61.85978	1.4
61.98827	2.0
62.70659	1.3
63.30534	1.3
65.00325	1.9
69.13963	3.3
69.14373	12.6
71.01388	2.9
72.28800	1.3
74.83743	1.3
83.01405	2.3
85.02954	4.3
89.02415	1.8
93.03422	2.1
95.01377	2.4
96.95982	1.6
107.00639	1.2
107.01379	4.3
109.02937	1.5
113.02461	2.1
115.00368	1.4
116.92908	1.7
119.05025	1.7
122.68855	1.4
124.01655	6.0
125.02447	77.1
126.02806	2.7
127.90926	1.4
129.01967	2.1
129.16922	1.4
133.01430	4.1
139.00401	1.3
139.21060	1.4
145.15820	1.4
151.00362	25.7
152.01151	20.6
153.00163	6.3
154.00922	5.7
163.03993	2.2
165.01950	8.2
167.98923	2.3
169.01411	1.5
178.99886	20.2
179.98756	3.4
180.99622	2.6
182.00372	3.3
183.01176	1.8
185.99904	2.1
187.04095	2.3
191.01872	5.0
191.05672	3.5
192.02563	1.5
195.01196	8.1
197.02763	3.1
204.02464	1.6
207.98416	1.6
212.04605	1.4
219.01175	3.4
220.01991	2.7
224.01451	3.8
227.03499	3.8
229.04878	3.0
229.10936	1.3
239.03587	1.7
245.02686	2.6
246.03484	2.5
247.00661	4.7
248.01498	15.3
249.02022	1.7
255.03023	4.6
261.02338	3.0
262.03067	2.1
263.03751	12.2
281.00879	3.1
281.04648	2.0
283.02484	10.3
287.00320	7.6
287.03104	1.4
288.00845	3.7
290.02560	15.5
291.03345	1.6
305.04822	11.7
306.02075	2.4
314.99762	6.8
316.00443	44.9
317.00967	3.9
321.04340	5.0
331.02808	37.8
332.03360	2.1
349.03845	37.5
357.06232	2.9
371.70496	1.4
419.04556	11.9
419.23053	1.8
437.05472	26.9
467.10013	4.5
478.05746	4.7
483.09250	2.1
493.08093	30.0
511.09149	20.1
555.11841	3.0
571.11322	2.6
581.09668	54.4
582.10175	3.6
599.10706	100.0
600.11035	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	598.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	6.2
59.01374	3.1
61.98834	14.6
69.46983	6.1
72.00889	1.2
74.02473	18.1
82.02998	1.5
84.04491	1.4
86.02477	6.4
87.05618	4.6
90.00172	1.9
97.04045	2.5
98.19804	1.7
99.05635	13.1
101.02429	1.1
101.07199	2.3
102.05594	2.2
109.04065	1.7
112.98547	2.2
123.05649	1.0
124.03982	1.5
127.05130	3.3
128.03539	36.1
135.05624	3.4
141.06683	3.4
143.04620	48.6
145.06165	1.3
146.04565	4.3
153.06590	2.7
160.00735	15.5
164.34503	1.1
166.09862	1.4
167.04573	4.3
167.08195	1.3
171.10240	2.8
177.03459	5.3
179.04630	10.2
181.06195	1.4
185.05646	2.0
192.07880	1.5
197.05678	1.5
209.11801	3.0
210.08801	9.3
211.09087	1.2
254.07776	14.9
272.08859	28.5
288.06546	10.8
291.19519	1.1
299.09161	4.0
306.07648	100.0
307.07675	2.4
467.70865	1.1
598.28204	15.3
599.28723	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	598.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49852	2.2
58.02983	10.6
59.01380	5.3
61.98827	22.7
66.03481	2.4
71.01424	2.4
71.52749	1.8
72.97543	2.3
74.02471	23.3
77.78243	2.0
82.02955	2.8
82.64967	2.2
83.25342	2.0
85.02942	2.3
86.02486	11.7
87.05650	4.7
88.98797	2.1
89.02483	2.8
96.96037	4.9
97.04049	2.5
99.05645	19.6
99.92575	3.5
100.00429	2.6
102.05567	2.9
104.24033	2.0
109.04113	3.1
113.02386	2.4
116.92827	11.2
125.02383	2.4
128.03545	61.2
135.05658	6.8
141.06664	3.0
143.04617	75.2
144.50436	2.4
145.06165	4.0
146.04591	7.8
152.06908	2.6
166.09908	3.4
167.04623	4.0
167.08250	2.2
171.10268	51.0
179.04625	18.6
181.06259	2.5
185.05721	2.2
197.05714	3.1
209.11797	38.5
210.08827	14.2
242.33473	2.6
254.07814	48.5
254.10274	1.9
269.04498	2.9
272.08878	100.0
273.08954	3.2
291.19806	2.6
312.81982	2.6
325.18503	4.7
363.21713	2.7
396.62418	2.4
469.24081	6.3
563.10248	2.8
580.26935	8.3
581.29688	4.0
589.45825	2.5
598.19220	2.5
598.28143	42.5
599.29486	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	598.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32113	0.1
59.01369	0.3
61.98830	100.0
62.98544	0.2
71.01385	0.2
71.54210	0.2
75.00883	0.2
76.51281	0.1
85.02982	0.2
87.00893	0.2
88.43835	0.1
89.02478	0.2
93.03494	0.2
96.96022	0.2
111.00898	0.3
111.04518	0.3
113.02442	0.2
155.03539	0.5
169.01411	0.2
191.05621	0.4
209.08144	0.3
209.11879	0.2
229.14406	0.2
375.27475	0.4
376.27866	0.6
466.24326	0.3
489.80371	0.1
537.48431	0.1
573.89661	0.1
598.29443	0.2
599.27625	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.98831	100.0
65.82373	0.2
71.01414	0.2
74.40987	0.2
75.00896	0.4
85.02965	0.3
87.00922	0.2
93.03513	0.3
96.96031	0.3
98.20647	0.5
101.02475	0.2
106.94097	0.2
111.00894	0.4
111.04537	0.5
116.92910	0.1
118.30088	0.1
119.05054	0.3
125.02444	0.2
137.02492	0.2
155.03603	0.4
163.04033	0.2
170.44406	0.2
184.15091	0.2
184.46892	0.2
191.05731	0.3
223.49274	0.1
291.15054	0.2
324.67941	0.2
325.80563	0.2
373.25964	0.3
375.27563	0.3
376.27911	0.5
422.80960	0.2
466.23865	0.2
599.27692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57400	0.7
55.01876	4.6
57.03438	2.9
58.00585	1.2
59.01381	65.0
61.98795	1.3
69.03453	0.8
69.46298	4.3
70.83909	0.7
71.01379	15.4
72.99306	1.3
73.02942	1.1
75.00868	7.1
85.02954	7.9
87.00863	1.4
89.02448	11.8
93.03444	0.8
95.01443	0.8
97.06549	0.9
98.19935	1.6
99.04533	8.7
101.02444	8.8
107.01330	0.7
109.06654	0.9
111.04534	0.8
113.02451	5.4
119.03533	3.4
121.02957	17.9
125.02488	1.4
125.09690	1.2
129.01932	3.0
147.02968	2.6
151.00349	1.2
163.03996	1.4
165.04016	6.8
165.12827	4.2
179.05632	0.9
189.12805	1.3
191.02000	1.7
207.13889	11.2
209.02760	1.5
209.04568	16.5
209.11824	27.4
225.14949	11.2
227.12808	2.0
251.12946	6.2
259.68726	0.7
269.13925	51.5
270.14139	2.0
271.02539	1.5
272.02841	1.0
273.02982	1.7
287.14893	3.1
300.02646	4.5
301.03342	6.1
302.03571	6.4
303.04022	2.4
389.18109	1.1
405.17404	0.8
417.17697	3.4
417.34280	0.7
423.18805	1.0
427.76270	0.8
433.08127	0.9
435.08426	3.4
449.20264	56.1
450.20636	3.9
465.09171	2.1
546.07184	0.7
579.23187	1.7
597.23950	100.0
598.24316	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	598.124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53645	0.5
57.03446	7.7
59.01369	0.7
63.02393	1.0
65.00351	0.9
71.01398	1.1
71.52688	0.5
81.03451	2.5
83.01385	9.2
85.02961	1.4
89.02478	0.5
93.03458	1.2
95.01385	0.6
95.05033	0.5
97.02945	0.9
99.04539	0.7
99.26531	0.6
103.00413	0.6
107.01388	2.3
109.02962	1.2
113.02456	0.7
123.04499	1.2
124.01682	1.4
125.02447	100.0
126.02766	2.6
129.60703	0.5
133.02994	0.9
137.02435	2.9
139.04036	1.6
149.02417	5.5
151.00377	8.1
151.04028	0.9
151.99400	2.4
152.01166	1.2
153.01953	7.5
161.04741	0.6
163.03946	1.0
163.99335	0.5
165.05600	0.7
167.01828	1.1
167.03499	5.2
168.03870	1.0
173.04549	0.9
177.01872	1.1
178.99863	9.4
179.03409	1.2
179.98863	14.8
181.01466	1.5
191.05597	1.6
195.01210	15.6
195.02771	0.6
206.04649	1.5
207.98390	1.8
209.04506	3.1
210.04912	1.2
223.00697	5.3
239.05554	1.1
240.05969	1.3
261.19748	0.5
263.03720	0.7
266.04895	0.7
269.06592	0.7
282.01898	0.7
283.02585	1.5
287.07813	3.2
288.01004	1.1
288.06876	0.6
297.04108	1.6
303.03217	0.7
305.04846	0.6
330.08218	1.0
331.02814	4.4
349.03790	3.7
368.09735	2.5
374.07056	8.7
388.07602	1.7
389.08011	0.6
408.07318	1.1
418.06088	1.1
436.07071	19.5
437.07022	1.4
459.09518	0.7
483.09671	2.5
493.08218	1.9
508.12210	0.7
511.09180	9.5
512.09662	1.2
536.12299	2.3
570.12433	2.6
598.11578	6.8
599.12592	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83288	0.8
54.05862	0.8
57.03431	2.2
59.01375	4.6
61.98832	90.5
62.98557	1.6
63.83600	0.8
69.03453	0.8
70.34900	1.0
70.35210	1.5
71.01386	1.9
72.99363	0.7
75.00868	7.8
79.73491	0.8
81.03448	7.3
83.01374	6.1
85.02961	2.4
86.40143	0.8
92.10207	0.9
93.03473	5.2
95.01392	2.2
95.05038	3.2
97.02945	4.0
97.76537	0.8
99.04507	1.6
107.05055	1.1
108.02198	0.9
109.02960	3.3
111.00884	1.4
111.04531	3.3
113.02447	3.0
119.05029	7.7
121.02972	3.1
121.06600	1.5
123.00860	0.9
123.04535	13.5
125.02444	11.3
133.01445	1.5
135.04468	3.7
137.02448	5.3
137.06079	7.4
139.04027	8.2
147.04500	2.3
149.02423	1.6
149.06027	1.6
151.04060	3.9
153.05592	0.9
155.03351	0.7
161.06064	1.8
163.04004	4.2
163.07674	1.5
164.04819	1.2
165.01938	2.6
165.05533	5.5
166.02734	1.7
167.03494	25.9
177.05638	2.4
179.03499	4.9
179.07103	2.2
180.04227	1.4
181.04991	1.8
189.05531	6.3
191.03505	2.1
193.04990	4.5
197.04547	4.4
205.05045	1.0
207.03017	0.9
207.06511	1.3
209.04552	27.0
209.08272	2.4
210.08501	1.7
219.06567	0.9
221.04483	4.1
223.06076	1.1
225.07524	0.9
229.08682	1.3
233.04539	1.3
235.06070	0.9
239.05583	12.8
240.06259	0.9
251.05617	4.4
263.05518	1.7
269.06631	2.3
273.07745	4.1
285.04083	1.6
285.07764	2.0
293.06729	1.0
299.09256	0.9
315.08746	16.8
327.08780	8.4
329.09802	1.1
345.09839	6.3
357.09775	100.0
358.10098	4.2
369.09705	4.8
371.13773	1.1
372.13867	2.4
387.10858	73.6
388.11163	4.5
399.10767	3.5
417.11896	24.0
418.12613	0.9
429.11600	1.8
441.12274	1.1
459.13034	8.9
465.27032	1.2
471.13226	1.2
477.13974	22.5
478.14450	1.5
489.13980	7.8
507.14871	2.9
579.17084	2.2
597.18225	13.8
597.26843	1.0
598.18610	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.1
59.01377	9.8
61.98830	13.0
62.63638	0.6
69.03452	0.6
71.01383	5.7
71.53838	0.8
72.99296	2.1
73.02943	1.3
75.00859	1.1
85.02941	2.2
87.00874	1.2
89.02424	4.1
93.03463	1.4
94.06602	0.6
96.08173	0.6
96.96007	2.5
99.00872	0.6
101.02460	3.3
103.00370	0.8
105.22120	0.6
108.04535	0.6
113.02456	2.6
113.60895	0.6
119.03454	0.7
119.05029	3.3
121.05345	1.2
122.06124	2.3
124.07668	3.6
125.02454	1.0
125.09739	1.8
127.11263	1.6
128.03481	0.7
129.01968	4.7
137.02455	0.7
137.09709	0.9
143.04597	1.5
148.04047	8.3
149.04457	0.7
150.05562	3.5
155.10757	1.3
163.03996	3.1
171.10269	5.9
173.04527	1.9
183.13890	1.4
194.04729	0.7
207.92943	0.7
209.11737	1.2
219.05084	0.9
225.06731	0.7
229.14575	0.9
231.11459	2.9
240.09036	0.9
244.12128	0.7
255.11424	8.3
256.11832	0.7
272.11575	1.3
273.12473	4.9
306.07596	1.0
337.64981	0.6
355.24838	1.5
371.24371	0.8
373.25931	100.0
374.26331	8.4
375.27402	2.2
387.27597	0.9
415.27042	1.4
435.17795	1.3
453.18726	7.9
454.18784	0.8
479.16672	1.7
497.17773	23.2
498.18253	2.2
595.24725	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	596.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03181	0.1
54.32393	0.1
57.34244	0.2
59.01373	0.4
60.77770	0.1
61.98829	100.0
65.02487	0.1
69.81489	0.2
71.01388	0.2
71.53975	0.3
85.02940	0.3
89.02462	0.2
93.03465	1.0
93.97681	0.1
96.96048	0.2
111.00836	0.2
111.04534	0.3
119.05025	2.6
120.05387	0.5
122.53963	0.2
125.02457	0.3
133.17203	0.1
137.02460	0.6
138.02768	0.2
155.03474	0.3
163.04002	2.1
164.04373	0.5
171.52972	0.1
173.04616	0.6
191.05615	0.3
200.16150	0.2
211.13484	0.2
229.14531	0.4
259.31454	0.1
286.08447	0.2
291.25967	0.1
374.26324	0.4
404.41617	0.1
465.23642	0.6
474.97699	0.1
511.15042	0.1
595.70929	0.2
597.27515	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.289
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
61.98822	1.4
62.40705	0.5
63.93973	0.4
65.52597	0.5
65.95559	0.5
69.84102	2.3
78.95901	56.2
96.96974	10.0
132.19386	0.5
144.92624	0.5
150.97951	1.2
152.99580	81.1
153.99931	0.9
158.20972	0.4
166.66382	0.5
171.00638	2.4
176.36847	0.5
209.11812	2.1
223.00111	8.4
241.01183	21.4
257.73270	0.6
259.02261	1.2
279.23279	55.3
280.23636	3.1
311.22430	0.7
315.04831	11.4
316.05167	0.6
333.05942	0.7
336.67090	0.5
357.55414	0.5
562.59833	0.6
595.28851	100.0
596.29205	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64906	0.3
52.93117	0.3
55.01907	1.2
57.03482	1.1
59.01380	9.8
61.98829	7.5
63.22196	0.4
67.94967	0.3
69.03486	0.5
69.23074	1.8
69.23488	1.1
71.01379	8.1
72.99373	1.1
73.02942	2.6
75.00918	0.6
81.03454	3.6
83.01408	1.9
83.05024	10.8
85.02950	5.4
85.06643	0.7
87.00920	1.3
89.02448	3.8
93.03489	0.5
95.01436	0.8
96.96069	1.1
97.02988	0.4
99.00932	1.0
99.08217	0.6
101.02442	7.6
111.00918	0.5
111.04554	0.4
113.02436	2.4
113.09779	0.9
115.07693	0.5
119.03539	0.7
119.05070	0.7
125.02478	0.7
128.34805	0.3
129.02002	0.6
133.06599	0.5
136.33383	0.4
149.04607	0.7
153.12923	0.5
161.04578	0.5
163.04037	0.9
173.04587	0.8
183.13876	1.8
199.13446	1.0
283.19128	2.1
301.20197	11.2
302.20581	0.7
361.18756	4.5
385.02795	0.4
445.24481	2.6
463.25491	100.0
464.25867	7.3
588.25397	0.4
595.29675	43.2
596.30029	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	595.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	0.9
57.03237	0.2
57.03486	1.1
58.00625	0.6
59.01381	10.3
61.15480	0.3
61.98832	8.1
65.00336	0.2
69.03503	0.7
71.01379	9.7
71.05038	0.5
72.99354	1.1
73.02953	3.0
75.00925	0.7
79.95795	0.4
81.03456	3.2
83.01382	1.8
83.05026	11.3
84.05388	0.4
85.02954	4.8
85.06651	0.7
86.00154	0.3
87.00886	1.6
89.02450	3.1
93.03496	0.5
95.01435	0.8
96.95999	1.4
97.02999	0.4
99.00926	0.9
99.08189	0.6
101.02444	7.0
109.02970	0.3
111.00941	0.9
113.02439	3.6
113.09765	0.6
113.22914	0.2
115.04008	0.3
115.07680	0.3
116.92934	0.4
119.03558	0.7
119.05102	0.7
125.02521	0.9
129.01994	0.6
131.03531	0.5
133.06660	0.5
137.02512	0.6
141.13004	0.3
149.04625	1.0
150.44536	0.3
155.91040	0.2
161.04590	0.4
163.04137	1.0
165.13017	0.3
167.10866	0.3
169.01546	0.3
173.04611	0.4
180.74821	0.3
183.13986	1.1
185.11917	0.4
191.05649	0.4
199.13498	0.8
227.12927	0.4
257.21255	0.5
281.18015	0.3
283.19067	1.7
301.20200	10.3
302.20663	0.8
361.18634	4.8
427.23999	0.3
445.24399	2.1
463.25504	100.0
464.25882	7.6
595.29688	39.6
596.30035	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	595.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74544	0.6
55.01883	0.7
57.03466	1.1
59.01382	11.2
59.01654	0.8
59.53498	0.6
61.98861	1.0
64.02887	0.7
66.23177	0.5
68.47058	0.5
71.01383	7.6
71.53518	0.6
73.02972	2.7
83.01408	1.1
83.05042	1.3
85.02962	3.4
87.00914	1.9
89.02447	10.3
89.02942	0.8
95.01395	0.8
98.19536	0.6
101.02444	6.4
111.08167	0.9
113.02462	3.2
119.03522	1.1
125.02513	0.8
129.01945	3.0
131.03502	1.3
138.75591	0.6
149.04558	17.3
161.04594	1.6
163.03963	0.9
165.12851	8.3
175.98969	0.6
179.05675	0.6
183.13896	100.0
184.14207	3.8
209.08032	0.8
209.11778	1.2
219.04967	0.6
227.12894	6.1
243.58875	0.6
253.09328	6.3
283.18997	1.1
301.20255	0.7
375.27478	0.9
400.54886	0.6
463.21552	80.6
464.22101	5.2
484.21140	0.7
595.25745	25.0
596.26245	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	595.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20560	1.3
57.03458	4.8
59.01384	11.3
61.98825	4.9
68.07645	1.3
68.99802	1.9
69.03462	1.9
71.01353	9.9
72.83244	1.2
73.02953	3.5
75.00887	2.0
75.62376	1.4
79.32726	1.3
80.27049	1.4
81.03458	16.7
82.07820	1.2
83.01393	12.4
85.02952	7.2
87.00878	2.5
89.02452	4.3
89.68745	1.3
93.03468	7.0
95.01387	6.7
95.05043	7.8
97.02950	10.8
99.00893	2.2
99.04504	6.9
100.09082	1.4
101.02442	3.7
107.01382	3.5
107.05047	2.1
109.02994	6.2
109.03629	1.2
111.04495	5.9
113.02459	8.6
117.03468	4.1
119.05026	5.8
121.02940	7.9
121.06612	1.8
123.04530	33.2
125.02453	48.8
125.06106	1.7
126.02866	1.3
135.04535	6.0
137.02444	14.4
137.06104	3.2
138.03197	2.6
139.04004	7.5
147.04515	2.6
149.02429	2.1
149.06151	1.7
150.02881	1.5
151.00333	3.2
151.04037	9.0
153.05573	5.1
155.03506	3.4
161.02467	1.9
163.04002	3.8
164.01190	2.1
165.01967	3.0
165.05560	5.4
166.02638	2.4
167.03499	58.6
168.03809	1.6
175.02403	2.3
177.01906	4.5
177.05481	2.1
179.03493	16.7
181.05058	3.7
191.02007	1.5
191.03491	5.0
191.05168	1.8
193.01482	2.0
193.05037	2.5
197.04546	19.2
203.03502	1.8
205.04982	1.2
207.02907	1.5
209.04555	100.0
210.04951	3.5
221.04530	7.3
233.04550	2.0
235.02513	2.6
239.05611	93.8
240.05989	4.2
251.05533	4.3
269.04419	12.1
269.06702	41.4
269.13794	1.9
271.06104	3.1
281.06616	3.9
287.15115	1.3
295.05377	1.3
295.08353	4.9
299.08075	2.3
307.04700	1.5
310.11618	1.3
311.07733	2.7
313.09424	12.5
325.09344	2.1
329.08948	9.0
341.08789	3.7
343.10388	5.1
355.08124	5.6
359.09796	4.0
371.07697	46.5
373.82346	1.3
379.79276	1.4
385.09317	1.8
401.08768	37.1
402.09113	4.4
415.12390	3.0
418.40387	1.3
431.09842	9.9
433.13519	10.3
436.74368	1.2
449.20184	2.8
457.11484	6.8
463.21802	5.5
473.10938	3.8
475.12482	22.0
487.12619	2.6
491.11917	11.0
503.12006	2.9
505.13406	5.0
521.12830	2.2
577.15332	3.2
595.15625	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	595.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
61.98832	10.1
65.00329	0.5
67.01867	0.5
71.01385	0.4
71.53695	0.6
73.11843	0.5
85.02946	0.4
88.98827	0.5
93.03454	1.8
95.01383	1.8
96.96027	0.7
98.93839	0.5
107.01373	1.5
113.02519	0.4
117.03489	0.8
121.03005	0.5
123.00883	3.2
124.01655	2.8
125.02470	2.1
130.04230	0.8
131.04967	0.7
132.02171	1.6
137.02426	1.2
145.02959	21.5
145.04123	1.0
146.03293	0.7
147.04521	0.6
148.01646	0.8
149.99628	0.7
151.00377	3.1
152.01088	0.9
161.02429	1.5
162.03250	0.6
164.70578	0.4
167.04941	0.5
169.01407	1.3
169.06604	0.6
170.07352	0.7
171.04495	0.5
176.01187	1.0
177.01863	0.9
181.06616	1.9
182.07353	1.2
189.01926	0.7
191.03554	0.5
193.06631	0.7
194.07303	1.0
195.04401	0.5
196.22046	0.4
197.06073	2.7
198.06882	3.7
208.05234	1.2
209.06062	10.3
210.06847	23.3
211.04059	1.4
211.07217	1.2
212.04790	0.6
213.09183	2.2
221.06053	2.2
223.04012	2.0
225.05464	2.3
225.09225	1.4
226.06354	7.5
227.06888	0.7
236.04761	1.6
237.05545	12.5
238.06339	30.8
239.03488	1.9
239.06726	1.6
241.08672	2.3
252.07913	0.8
253.05235	2.5
253.08688	27.1
254.05824	3.5
254.08777	1.2
263.03543	0.5
264.04251	1.8
265.05011	1.2
269.08194	5.4
279.06714	1.4
281.04636	6.5
281.07736	0.6
282.05289	8.2
297.07666	69.8
298.07980	3.6
423.43283	0.5
443.14987	0.9
459.99789	0.5
587.10236	0.5
595.16095	100.0
596.16400	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	595.1668
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
50.47232	1.0
52.84709	0.8
59.01369	1.0
63.17227	0.7
69.03431	0.9
69.50216	6.1
71.01355	1.0
79.01860	1.3
81.03445	2.1
83.01395	3.0
93.03439	5.1
95.01409	1.8
95.04985	1.0
97.02946	3.0
98.35255	0.8
107.01389	5.2
107.04993	1.7
108.93401	0.9
109.02948	2.5
111.00896	1.0
111.04564	1.0
113.02407	0.8
117.03431	1.4
119.05026	30.1
119.40298	0.8
120.05370	1.6
121.02962	2.4
123.00896	1.8
123.04492	2.8
125.02463	7.0
127.18114	0.8
133.02869	1.1
135.04539	2.0
136.01593	1.4
137.02454	4.7
139.03024	1.1
139.04015	8.5
143.05064	4.4
143.05960	0.8
145.02951	5.1
147.04539	1.9
149.02455	3.7
150.03174	1.2
151.00363	3.5
151.04030	1.7
155.03540	0.9
159.04460	0.9
161.02481	1.8
161.06082	1.9
163.00386	3.7
163.03964	3.0
164.01105	1.4
165.01913	4.8
167.03540	7.8
177.01942	4.5
179.03455	2.8
187.04015	5.2
191.03453	4.0
192.00485	1.0
193.01402	10.1
197.04503	2.3
199.07635	1.2
205.01437	6.4
205.04942	0.8
206.02229	1.3
207.02977	3.2
209.04510	6.0
219.03018	2.5
221.04501	1.4
223.02495	1.3
227.07083	2.3
231.88109	0.9
233.04517	1.0
235.00296	1.2
235.02499	14.2
239.05548	2.3
247.02464	1.8
249.03958	1.7
261.04050	2.3
265.03342	4.3
269.08200	1.0
271.06131	3.9
283.06360	1.5
283.09460	1.1
291.05392	1.1
295.04669	1.3
313.07132	14.8
325.07220	6.8
343.08313	7.2
355.08206	76.8
356.08578	6.5
367.04001	0.9
367.08267	4.1
385.09262	58.0
386.09637	4.8
397.09235	3.5
415.10318	14.9
416.10278	1.1
427.10095	1.8
439.10492	1.1
457.11401	6.4
475.12439	37.3
476.12933	2.8
487.12427	4.0
505.13541	8.9
506.13522	1.5
577.15460	5.4
595.16608	100.0
596.16943	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	594.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82894	0.4
53.24852	0.4
57.03445	3.7
58.02971	1.5
63.59464	0.5
69.03452	0.7
71.00893	0.9
74.02478	2.5
81.03445	1.8
83.01383	3.1
86.02473	1.5
93.03458	1.7
95.05027	1.1
97.02974	2.5
99.04536	3.1
99.05651	2.1
101.07150	0.6
109.02964	2.2
110.99097	0.7
112.04075	0.6
121.02950	2.3
123.04522	2.4
125.00699	3.0
125.02450	25.7
126.02688	0.8
127.02260	0.8
128.03542	7.5
135.04636	0.6
135.05637	0.9
137.02451	19.0
139.04045	3.2
139.99373	0.9
141.00175	11.3
143.04620	12.9
145.02968	0.7
146.04576	0.9
149.02431	6.6
151.03993	0.7
153.00160	7.1
153.06938	0.5
154.00996	0.7
155.01694	1.9
159.04523	0.7
160.01689	0.6
161.02417	2.9
164.01167	2.2
165.00166	16.6
165.01846	2.4
166.00470	0.8
167.01912	0.7
167.03496	11.0
167.04678	0.5
177.00140	1.0
179.03358	3.5
179.04713	1.4
179.98897	2.2
180.99672	11.1
183.01205	15.4
185.05670	0.8
193.03278	2.0
195.01234	1.5
201.05542	1.5
210.08817	2.2
219.01276	1.1
235.04321	2.4
243.06590	1.2
254.07770	3.7
261.02228	0.6
269.04599	1.4
271.16595	0.5
272.08887	31.9
273.09100	0.8
277.05307	2.6
279.03378	0.8
287.05655	0.8
303.03439	3.8
306.07523	1.3
321.04361	100.0
322.04663	5.5
355.08054	1.4
385.09256	1.3
456.10669	1.8
475.12613	0.7
545.07617	0.7
594.13629	4.1
595.15863	1.0
612.17291	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1306
Annotation	Peltatoside
Peak:m/z	Relative Intensity
57.03450	0.9
59.01375	3.4
61.96344	0.6
61.98821	0.8
63.02418	0.7
64.67477	0.5
65.00334	1.9
69.58392	1.3
69.58797	2.4
71.01379	1.1
82.41626	0.5
83.01397	1.9
85.02971	1.5
87.00889	1.3
89.02435	1.2
93.03481	0.9
98.19930	1.2
101.02464	0.8
107.01410	4.9
109.02979	0.8
109.78012	0.7
113.02441	1.0
115.00370	1.3
121.02985	3.6
125.02450	1.1
135.04485	0.7
148.01674	1.1
149.02452	0.7
151.00368	22.8
153.61676	0.6
159.04567	0.8
163.00398	1.5
164.01147	0.8
167.03435	1.0
175.02463	1.1
178.99854	10.6
191.05621	1.0
193.01392	1.1
199.03928	0.9
211.04016	0.7
227.03494	2.4
239.05397	0.6
243.02966	7.7
244.03650	0.8
245.04620	0.9
254.02280	1.9
255.02963	20.9
256.03375	0.9
269.13867	0.9
271.02475	47.3
272.03018	3.4
273.03989	1.3
299.01907	4.4
300.02737	100.0
301.03503	74.6
302.03915	3.8
433.07739	45.9
434.07938	2.6
449.19754	0.6
463.08832	20.4
464.09088	0.7
521.04547	0.6
595.13037	33.7
595.22504	1.3
596.13550	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	594.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51089	0.5
57.03444	6.4
57.03664	0.6
58.02970	5.3
71.53339	1.1
74.02477	11.8
81.03465	1.6
82.03033	0.9
83.00945	1.0
83.01363	3.6
85.02957	0.8
86.02484	5.3
86.06144	0.8
86.21665	0.6
87.05658	1.9
93.03455	1.5
95.05052	0.9
97.02919	0.8
99.05643	10.6
101.07243	1.3
102.05605	1.9
109.02966	3.1
109.04099	1.6
109.07736	0.7
111.05659	1.0
112.04037	1.0
119.05045	1.7
121.02942	3.5
122.03690	0.8
123.04552	1.7
125.02450	37.0
126.02808	2.8
128.03542	34.7
129.03915	0.8
133.03033	0.7
135.04587	1.4
135.05684	1.8
137.02451	11.0
138.02866	1.2
139.04025	2.8
139.99397	1.7
141.00143	12.3
141.06721	1.6
143.04617	44.8
144.05002	1.1
145.06238	1.1
146.04625	3.7
149.02426	7.3
150.03178	0.9
151.04022	1.7
153.00189	2.3
153.06708	1.6
155.01721	2.0
159.04553	1.1
161.02438	7.6
162.03043	0.8
163.04018	1.2
164.01141	3.5
165.00410	1.0
165.01923	6.5
166.09851	1.7
167.03484	3.8
167.04707	1.6
167.08354	0.8
173.06035	1.0
175.03998	1.6
175.07600	0.6
177.01912	5.3
177.05602	0.7
178.00922	0.7
178.02335	1.9
179.03445	4.1
179.04807	6.5
180.03824	0.8
180.99666	1.5
181.06242	1.0
183.01199	10.4
185.05736	1.6
187.04010	1.2
195.01088	0.8
197.05959	1.4
200.04689	0.9
201.05588	3.2
203.03482	1.5
210.08839	8.7
215.07130	1.4
217.05116	0.8
227.03496	1.2
228.03783	0.8
228.10007	0.9
235.04337	1.5
237.02275	2.0
241.05005	0.8
243.03050	1.8
243.06566	2.2
244.03619	1.9
245.04359	1.2
253.05338	0.8
254.07808	14.8
256.03583	1.5
257.04410	1.5
261.04105	0.8
269.04419	1.6
270.04800	0.9
272.08875	100.0
273.03885	1.5
273.09219	3.7
277.05392	2.1
281.04517	1.3
282.05023	0.9
283.06033	0.8
287.05597	2.8
289.07074	1.8
290.07617	2.2
305.06561	0.9
306.07520	1.6
313.06915	1.0
321.04358	42.7
322.04660	1.9
355.08292	3.7
372.04034	0.6
385.09280	2.3
407.07468	1.0
408.07889	1.6
415.09872	0.9
423.06622	0.7
438.09149	3.1
450.09039	1.0
455.09750	1.4
456.10565	9.3
457.10809	1.1
468.10400	0.7
475.12286	2.1
550.14868	0.7
573.21838	0.6
576.12250	1.6
591.59259	0.7
594.13580	21.8
595.16711	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	593.318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.2
59.01379	8.0
61.98831	18.8
69.03455	0.9
71.01385	4.2
71.76332	0.6
73.02937	2.2
81.03479	0.7
83.01370	1.0
85.02941	4.2
87.00888	0.9
88.98814	1.3
89.02444	2.9
93.03465	2.1
96.96020	3.3
101.02430	2.5
103.00364	1.3
109.02927	0.9
113.02444	1.6
119.05001	3.4
125.02438	1.9
125.09696	2.6
129.01965	5.0
137.02426	1.7
139.11331	0.8
141.09276	0.7
141.93845	0.6
155.10869	0.7
161.04562	0.7
163.04022	2.8
171.10239	5.2
173.04561	1.1
179.05739	0.8
191.05614	1.2
204.30568	0.8
209.11795	2.6
219.05075	1.8
227.12859	1.8
262.07919	0.6
341.23376	4.9
353.23306	4.3
371.24359	100.0
372.24738	5.7
373.25903	2.7
413.25308	1.2
469.30228	0.8
533.29126	5.6
593.15198	3.2
593.30811	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	593.2637
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01374	1.8
61.98538	1.4
61.98830	20.7
63.96217	0.9
71.01375	5.0
71.10145	1.4
71.10474	1.4
73.02968	0.9
76.02516	0.8
77.05300	0.9
78.95929	1.1
78.98586	4.2
79.95737	29.1
80.96517	46.0
81.03465	0.9
85.02929	2.5
87.00869	1.7
94.98071	11.9
96.96008	1.5
97.02943	2.3
101.02442	1.9
106.26482	0.9
106.98061	2.1
107.91927	1.1
122.97578	4.1
125.02438	2.6
131.95511	1.1
134.97563	4.6
136.99127	1.2
148.99127	3.9
152.98621	3.9
164.98607	7.6
182.99654	0.9
206.99657	3.4
209.11781	1.1
220.04483	0.9
223.13460	0.9
225.00710	15.9
241.00284	1.8
293.21338	1.1
299.04367	3.5
350.79755	0.9
371.06503	1.3
399.09622	1.6
413.11200	1.4
455.15698	2.2
495.18958	2.6
523.18573	1.0
593.26306	100.0
594.26642	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	593.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.7
61.98824	2.4
64.35096	0.7
71.01373	1.1
71.52996	1.1
78.95904	61.8
96.96967	13.4
101.89061	0.8
121.02936	1.3
152.99583	48.6
194.01566	0.9
197.11847	3.7
209.11813	24.7
210.12270	0.8
223.00128	1.6
227.12914	1.9
240.98741	1.5
241.01175	27.2
259.02420	1.0
277.21716	47.1
278.22021	1.9
291.19461	1.0
300.75229	0.9
309.20682	5.7
315.04852	8.1
413.20959	5.4
510.23254	0.9
593.27307	100.0
594.27789	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	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.4
63.54548	0.4
65.26782	0.4
71.42019	0.8
73.42343	0.4
78.44362	0.5
78.95904	63.1
96.96958	10.8
107.22943	0.5
115.07224	0.5
125.40550	0.4
150.97980	0.6
152.99580	86.4
153.99905	0.9
154.27657	0.4
171.00636	2.2
223.00131	9.1
224.00366	0.4
241.01178	23.0
242.01605	0.7
244.58446	0.5
259.02084	1.2
275.20062	0.6
277.21704	44.7
278.22018	3.1
315.04852	12.2
333.05875	1.5
368.90027	0.5
475.69186	0.5
593.27283	100.0
594.27631	9.9
594.36993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.2
59.01379	8.0
61.98831	18.8
69.03455	0.9
71.01385	4.2
71.76332	0.6
73.02937	2.2
81.03479	0.7
83.01370	1.0
85.02941	4.2
87.00888	0.9
88.98814	1.3
89.02444	2.9
93.03465	2.1
96.96020	3.3
101.02430	2.5
103.00364	1.3
109.02927	0.9
113.02444	1.6
119.05001	3.4
125.02438	1.9
125.09696	2.6
129.01965	5.0
137.02426	1.7
139.11331	0.8
141.09276	0.7
141.93845	0.6
155.10869	0.7
161.04562	0.7
163.04022	2.8
171.10239	5.2
173.04561	1.1
179.05739	0.8
191.05614	1.2
204.30568	0.8
209.11795	2.6
219.05075	1.8
227.12859	1.8
262.07919	0.6
341.23376	4.9
353.23306	4.3
371.24359	100.0
372.24738	5.7
373.25903	2.7
413.25308	1.2
469.30228	0.8
533.29126	5.6
593.15198	3.2
593.30811	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	593.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01870	0.8
59.01384	5.1
59.72721	0.7
61.98830	10.0
69.22943	1.5
69.23349	5.9
71.01384	1.9
81.03436	2.2
83.01388	0.9
85.02953	2.1
87.00885	1.0
89.02412	1.1
93.03458	1.9
99.08169	0.9
113.02449	1.6
123.08150	1.0
125.02439	4.4
125.06088	1.8
147.08206	0.8
151.00354	1.0
155.03505	0.7
165.09209	23.1
173.04559	1.6
176.44385	0.9
191.05682	2.0
191.07224	1.5
209.08179	100.0
210.08527	3.0
223.09831	1.7
227.03445	5.6
233.08202	14.1
249.11279	2.5
251.09256	6.5
251.11650	1.5
255.02966	10.5
256.03564	1.4
263.09323	2.2
265.50037	0.8
284.03232	16.4
285.04037	7.1
297.07620	1.0
353.06534	2.1
371.13455	67.7
372.13843	4.4
400.14526	0.9
419.18979	1.0
429.17865	1.5
430.18173	1.6
431.18289	4.2
461.19910	1.2
489.10461	1.4
499.86636	0.8
533.19000	1.7
575.13861	6.7
593.15204	24.0
593.24432	2.8
594.15332	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	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27401	0.3
55.01887	0.3
57.03460	0.9
59.01386	3.1
61.98837	1.1
65.00313	0.6
70.71432	1.1
71.01394	1.9
72.99306	0.5
73.02969	0.6
83.01404	1.1
85.02946	3.2
87.00885	0.7
88.98800	0.4
89.02459	0.8
93.03465	0.6
96.96017	0.7
100.84868	0.4
101.02460	1.0
107.01409	1.2
108.02177	1.6
109.02960	0.9
111.00903	0.4
112.53797	0.3
113.02439	0.6
119.05050	0.7
121.02924	0.4
125.02467	2.9
129.01918	0.5
129.90469	0.4
135.00883	0.8
142.19858	0.3
147.03017	0.5
148.01700	1.3
151.00352	4.0
159.04492	0.5
161.05917	0.4
163.00381	1.3
163.03900	0.4
164.01158	0.9
168.00665	0.4
169.01425	4.3
173.04594	0.5
178.99866	2.0
187.03996	0.4
187.17296	0.4
191.02026	1.0
198.03172	0.5
199.03944	1.0
203.03474	0.6
209.03043	0.8
211.03854	0.5
215.03435	0.8
226.02742	1.1
227.03445	3.8
229.04933	1.0
238.99922	0.4
243.02945	9.4
243.05284	0.6
244.03421	0.6
245.08179	0.4
254.02180	1.7
255.02965	24.7
256.03317	1.2
257.04559	0.4
269.14005	0.5
271.02463	55.4
272.02936	3.8
284.03214	2.6
285.04077	6.8
286.04507	0.4
289.07138	1.1
299.01956	3.2
300.02734	100.0
301.03302	10.1
302.03687	1.7
303.04178	1.2
314.04382	2.1
315.05072	0.9
360.52567	0.4
363.08701	0.5
399.09769	0.4
401.18011	0.5
413.21860	0.7
441.08408	2.1
461.23935	1.1
573.76221	0.5
573.85205	0.5
575.13666	1.7
593.15021	68.9
594.15411	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	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.8
65.00330	0.8
69.34038	0.5
69.34335	4.1
71.01376	1.0
81.71732	0.6
83.01392	0.7
85.02959	3.8
89.02471	0.5
93.03445	1.1
95.01407	0.5
96.96013	0.6
107.01397	1.0
109.02935	1.2
113.02457	0.8
123.04475	0.5
125.02453	1.8
129.01991	0.6
145.03053	0.5
151.00352	6.1
152.01094	0.9
157.02933	0.5
159.04376	0.5
167.04950	0.7
169.01456	1.3
171.04507	1.0
173.04526	0.6
175.04031	0.6
178.99876	1.8
183.04483	1.4
187.03983	1.4
191.01994	1.1
199.04025	5.9
201.01959	0.9
203.03494	1.2
205.04971	1.0
209.02977	0.5
209.11537	0.5
211.04008	1.1
215.03484	2.6
226.02681	0.5
227.03477	5.0
242.02196	3.4
243.02962	29.5
244.03491	1.7
254.02168	0.8
255.02974	13.1
256.03320	1.2
257.04581	3.7
270.01752	4.4
271.02466	43.0
272.02872	3.1
285.04074	9.0
286.04712	2.4
287.05402	0.7
289.07047	3.5
299.01947	57.9
300.02689	21.3
301.03381	2.9
302.03552	0.9
303.04089	1.3
314.04306	68.0
315.05042	28.6
316.05188	1.3
401.17947	1.2
401.84119	0.5
429.08386	0.7
441.08392	4.1
575.13379	0.8
593.15070	100.0
594.15570	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	593.1512
Annotation	Vicenin 2
Peak:m/z	Relative Intensity
70.40999	1.3
70.41331	0.7
71.01376	1.1
72.69418	0.6
82.92226	0.7
93.03452	1.6
101.44661	0.5
107.01369	0.7
115.84711	0.6
116.72774	0.6
117.03452	6.0
119.05029	1.6
131.05026	0.9
135.04501	3.1
147.04575	0.9
149.02463	0.7
156.00455	0.6
159.04468	1.2
161.02487	3.3
163.03967	1.6
172.17886	0.6
175.04001	2.1
177.01898	1.1
177.05539	2.3
189.01970	1.4
189.05576	0.8
191.03497	2.4
203.03499	1.9
205.05055	0.9
215.54294	0.5
221.04623	0.8
233.04478	0.9
251.07225	0.6
253.08725	0.7
266.05817	0.8
267.06488	1.2
268.07419	1.2
281.04575	1.4
282.05289	2.5
283.06064	3.8
293.08255	0.9
295.06082	4.9
296.06903	3.0
297.07666	27.9
298.07990	1.6
305.04303	0.8
307.06110	3.1
309.07666	4.0
311.05539	3.4
321.07669	0.7
323.05493	5.5
324.06302	1.7
325.07132	11.5
328.06027	3.9
335.05606	2.4
337.07217	3.3
351.05103	1.0
353.06647	62.9
354.07068	3.2
355.08115	2.2
356.05264	0.8
365.06641	6.7
383.07709	35.3
384.08099	2.6
395.07770	4.2
397.09366	0.9
409.09558	0.7
413.08789	3.2
425.08713	2.2
449.08978	0.7
455.09424	0.8
473.10892	13.2
474.11090	0.7
503.12006	2.3
593.15106	100.0
594.15363	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	593.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54730	0.3
57.03448	0.5
59.01385	1.8
65.00323	0.5
83.01399	0.6
85.02961	1.0
87.00822	0.4
91.46434	0.3
93.03459	1.1
94.43116	0.3
101.02408	0.4
107.01396	0.9
113.02448	0.4
113.20856	0.3
121.76325	0.3
125.02411	0.4
132.02223	0.9
132.95682	0.3
133.02963	0.5
135.00906	1.2
151.00391	2.4
153.01930	0.4
156.61638	0.3
159.04501	0.7
163.00375	1.3
169.01588	0.4
171.04459	0.7
173.04599	0.5
178.99841	1.1
183.04474	1.0
185.06120	0.4
187.03969	0.9
190.99921	0.4
191.05586	0.7
199.03943	1.0
200.04707	0.6
211.03954	1.5
213.05553	0.5
227.03484	36.8
227.12799	0.5
228.03868	1.7
229.05125	3.0
239.03426	0.8
241.05099	0.6
241.75821	0.4
249.11218	0.4
255.02972	70.7
256.03525	6.5
257.04498	3.0
283.02393	0.7
284.03247	100.0
285.03952	28.2
286.04379	0.9
312.59088	0.4
327.05042	0.7
353.06516	1.4
395.13446	0.5
419.18997	0.5
429.08344	1.1
431.18372	0.7
447.09229	0.4
471.09686	0.5
472.97189	0.4
473.10812	0.5
575.14008	2.1
593.15088	84.0
594.15527	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	593.1299
Annotation	CHEBI:75670
Peak:m/z	Relative Intensity
57.03443	10.6
58.46846	0.8
69.03461	0.9
70.70705	2.2
81.03456	2.7
83.01400	3.4
89.13264	0.8
91.97833	0.8
93.03461	2.2
95.01379	1.4
95.05016	2.1
96.60181	0.8
97.02958	2.8
107.05038	1.9
109.02953	15.6
111.04538	2.7
121.02973	3.5
123.00874	1.8
123.04506	6.2
123.59290	0.9
124.01658	2.2
125.02448	100.0
126.02815	2.7
133.02939	2.8
135.04538	1.2
137.02446	25.9
138.03197	1.5
139.04016	10.9
147.04497	0.8
149.02449	6.8
149.06117	1.0
151.04012	7.1
159.04474	1.3
160.05411	0.9
161.02452	14.3
161.06046	1.3
162.03313	1.1
163.00354	1.9
163.04022	2.4
164.01164	5.1
165.01904	10.5
167.03490	10.7
173.06079	1.0
175.04042	8.1
176.04593	1.0
177.01924	35.7
177.05544	3.3
178.02461	1.9
179.03500	8.8
185.06052	0.9
187.03954	5.2
188.04784	1.3
189.02139	1.0
189.05487	1.3
191.03468	1.2
191.64980	0.8
199.03964	1.7
201.05530	2.2
202.06252	1.0
203.03494	2.8
203.07155	4.2
204.04247	1.5
205.01477	2.2
205.05025	3.5
211.03943	2.1
213.05591	1.7
214.02711	1.0
215.03572	1.5
217.05002	3.4
219.03079	1.2
219.06616	6.5
221.04549	4.6
225.05580	1.6
227.03517	3.1
229.05002	3.0
230.05547	1.0
231.03290	0.9
241.05077	0.9
243.02950	5.6
243.06635	1.4
245.04533	5.3
245.08180	3.7
247.06070	1.1
255.02989	15.3
256.03677	5.7
257.04562	2.9
261.04077	1.7
261.07675	1.6
269.04510	3.8
273.03958	4.0
281.04575	2.0
283.02515	7.2
285.04034	3.6
287.05573	6.2
289.07169	23.3
297.04105	4.0
298.04773	1.1
299.05524	2.0
303.05093	2.9
305.06656	54.8
306.07001	3.4
315.05109	1.1
339.08701	1.5
381.09799	1.3
397.09094	1.0
407.07700	25.4
408.08142	1.7
423.07193	46.3
424.07376	3.9
425.08810	14.4
426.09137	1.9
441.08142	7.9
449.08771	1.4
467.09653	14.5
468.10202	1.3
575.11829	2.4
593.12848	11.5
594.12891	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.13
Annotation	CHEBI:75674
Peak:m/z	Relative Intensity
57.03445	12.3
71.43214	1.5
74.38156	0.9
78.62522	0.9
81.03464	2.3
83.01363	4.8
93.03449	5.5
95.05003	1.4
96.96036	1.1
97.02935	5.4
105.03439	1.6
107.04996	1.4
109.02962	18.8
121.02934	9.2
122.03776	1.3
123.04527	12.7
125.02445	100.0
126.02792	1.7
133.02953	2.1
135.04506	2.2
137.02452	25.1
139.04007	4.7
145.03008	1.1
146.03819	1.0
147.04480	1.6
147.67662	0.9
149.02448	10.8
151.04005	12.3
159.04501	2.6
161.02440	4.7
161.06064	3.8
162.03250	1.5
163.00403	1.9
163.04030	3.1
164.01158	4.7
165.01927	6.6
166.02730	0.9
167.03514	3.3
174.03162	1.3
175.03995	8.7
177.01923	94.9
178.02313	3.6
179.03444	4.7
186.43431	0.9
187.04027	6.1
188.04750	2.6
191.03404	1.5
193.05034	1.4
199.04037	1.0
201.05467	1.9
202.06355	2.0
203.03545	1.6
203.07111	9.7
205.05051	6.8
213.05397	2.0
214.02725	1.5
215.03445	1.7
217.04956	2.2
219.06546	1.4
221.08061	2.2
227.03641	1.1
227.07014	1.6
229.05005	3.0
230.05731	1.3
231.03120	1.7
243.02972	3.3
245.08142	12.2
247.06068	1.3
253.05119	1.1
255.02956	9.1
256.03732	6.9
257.04422	2.9
261.04044	2.2
263.03058	1.1
269.04605	1.6
271.06128	1.4
273.03928	6.2
281.04572	3.3
283.02530	2.7
285.04028	3.6
287.05621	1.9
289.07166	67.0
290.07550	2.4
297.04056	1.6
303.05121	9.1
305.06610	7.7
306.07056	1.2
315.04938	3.3
338.21796	1.0
339.08627	3.3
381.09567	1.9
407.07700	63.9
408.07986	3.7
423.07236	8.0
425.08783	38.6
425.14572	1.9
426.09030	3.0
441.08325	3.6
467.09793	8.8
593.12891	16.4
594.12952	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33486	0.1
61.98831	100.0
62.98529	0.1
63.89860	0.1
69.27207	0.7
69.27610	0.3
79.95738	0.2
80.96529	0.2
81.55663	0.1
93.29480	0.1
152.99565	0.1
170.03163	0.1
197.11768	0.1
266.89734	0.1
293.21320	0.2
380.89969	0.1
393.18704	0.1
407.13568	0.1
593.26703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.9
58.00582	2.0
59.01382	91.6
61.98543	2.3
61.98835	31.7
62.18069	1.5
70.39178	4.2
71.01013	2.5
71.01387	34.3
72.99290	2.4
73.02940	9.4
76.65327	1.1
78.95905	61.6
83.01371	3.8
83.05011	4.0
84.14101	1.3
85.02950	11.5
87.00868	21.8
87.04540	1.4
88.98798	4.3
89.02442	19.2
93.03438	4.0
95.01379	4.2
95.20668	1.5
96.96027	1.9
96.96957	6.8
97.02928	1.7
99.00868	3.9
101.02440	20.1
106.37763	1.6
113.02455	14.0
114.81312	1.4
119.03483	5.3
119.04998	1.7
125.02399	5.2
129.80421	1.7
137.02379	1.5
143.03481	3.2
149.04590	2.0
152.67395	1.4
152.98396	2.3
152.99591	40.8
159.03065	1.4
161.04576	6.7
163.04034	2.0
163.11241	3.2
165.12849	2.3
179.05676	1.8
191.05559	1.9
199.13432	2.2
209.11830	57.5
210.12077	3.3
211.13388	2.7
227.12912	9.6
351.25220	2.2
363.12140	24.3
364.12390	1.4
369.26364	8.3
381.13080	6.2
474.71494	1.4
487.32736	19.3
488.32986	1.8
505.33704	7.1
531.32098	100.0
532.32129	8.7
591.25610	45.8
591.34698	2.4
592.26221	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	591.2613
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.63960	0.3
53.31749	0.3
55.62184	0.3
61.47481	0.3
61.77359	0.4
61.98821	0.6
64.38129	0.3
70.99388	0.5
85.08317	0.3
106.06638	0.5
112.03435	0.4
266.84360	0.3
308.71408	0.4
309.16159	0.3
416.43301	0.4
422.49295	0.5
429.17557	0.6
443.22852	1.8
444.19116	0.6
445.19476	1.9
455.22543	0.5
456.23816	0.6
458.20908	0.5
459.21606	1.7
470.17310	0.5
471.25552	2.3
472.17850	0.5
472.22861	1.6
473.23325	1.4
482.21353	1.4
485.19946	1.6
487.25702	2.8
497.23508	4.3
499.21527	3.5
500.22153	13.6
501.22525	1.4
503.20410	0.4
514.23871	0.6
515.24518	100.0
516.24902	11.8
519.24188	0.9
547.27081	0.9
559.23444	5.9
560.24414	0.8
591.26117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2575
Annotation	Scortechinone F
Peak:m/z	Relative Intensity
58.82731	0.5
59.01378	4.1
61.98843	3.7
62.96409	0.5
69.71110	1.7
71.01384	1.8
73.02940	0.6
78.95904	100.0
80.02679	1.7
81.03452	2.2
81.58757	0.4
83.01411	0.7
83.05026	7.6
84.02161	1.7
85.02932	0.7
89.02450	1.0
93.03438	0.5
95.05045	1.2
96.96960	8.5
99.00817	0.5
101.02436	1.3
113.02429	0.8
115.92090	0.5
116.92875	3.2
125.02465	0.9
125.06110	0.7
134.98535	1.4
135.08177	0.7
150.98015	1.0
152.99583	56.9
153.25635	0.4
153.99913	0.5
163.11281	6.5
165.12875	3.6
171.00653	1.0
181.12346	1.2
191.10745	1.6
209.11815	87.7
210.12177	4.9
211.13298	0.6
227.12891	11.4
228.13245	0.5
293.49753	0.5
363.12134	38.6
364.12552	2.0
381.13181	10.9
382.13232	0.7
531.31354	1.7
591.25745	67.6
592.26007	7.1
592.34460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.2
57.03444	13.0
59.01380	88.0
69.47636	12.0
69.48023	3.1
69.57873	1.7
71.01011	2.9
71.01380	39.9
72.99306	4.5
73.02953	4.4
75.00869	5.6
83.01377	8.4
85.02951	43.0
87.00874	8.2
89.02445	40.0
93.03452	8.0
95.01386	4.3
98.19911	3.9
99.00882	5.5
99.04524	8.4
101.02439	23.5
103.00375	5.9
107.05041	2.2
111.00875	7.9
111.04503	5.1
113.02464	25.2
119.03519	15.9
125.02393	2.9
129.01953	8.7
131.03441	3.7
143.03453	3.1
147.02985	6.2
149.04535	2.8
151.00362	6.5
157.06505	2.1
161.04572	5.6
161.13379	16.0
163.93942	1.8
165.04018	8.0
165.12762	2.0
173.04594	3.4
175.02469	3.1
179.05614	8.7
185.13393	2.4
187.11285	25.5
190.32831	1.8
191.01984	15.9
191.05621	5.6
203.14507	1.9
205.10573	2.5
205.12349	36.1
207.13870	4.4
209.03014	4.0
209.11774	3.1
223.13298	5.4
229.12294	6.1
231.10274	2.9
237.05554	1.8
242.02280	2.1
247.60059	1.8
249.11307	77.0
251.12869	2.1
267.12427	5.8
269.04398	22.3
269.13885	17.1
271.02631	2.0
271.05963	1.7
291.12457	4.5
300.02826	1.8
301.03558	5.5
311.05664	2.8
372.83237	2.2
383.07669	8.2
385.18640	3.0
397.09241	15.8
399.16571	7.3
411.16498	24.6
417.17517	20.7
427.06802	2.1
429.17633	100.0
430.17862	6.3
443.19147	3.4
459.18414	5.4
503.17715	3.6
573.11560	9.2
574.12653	2.2
591.23071	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38618	1.1
55.01886	0.8
57.02010	0.8
57.03441	4.2
58.00586	1.6
59.01379	46.9
61.98830	16.4
64.55210	0.8
67.01871	0.9
70.82378	2.2
71.01382	27.5
72.99293	1.9
73.02936	1.7
79.05517	1.0
81.07097	2.4
83.01404	2.1
85.02953	16.0
87.00880	2.4
89.02448	24.6
89.03011	1.4
93.03438	1.4
95.01409	2.1
95.04997	1.3
99.04539	8.9
101.02437	13.8
107.05026	2.6
111.04557	1.4
113.02451	13.8
119.03520	6.7
120.05911	1.0
125.02422	2.8
126.05497	1.0
129.01918	2.3
131.03471	1.9
135.04532	1.8
135.11858	1.0
143.03450	1.3
149.04488	1.0
151.00392	1.6
159.08102	1.0
161.04556	2.1
161.09697	1.2
161.13362	22.1
179.05614	5.8
185.13327	1.3
187.11293	13.0
191.01933	4.0
191.03548	1.6
191.05574	5.2
205.12323	29.5
220.01634	0.9
223.13339	1.4
229.12363	4.3
231.10181	2.0
247.13249	1.9
249.11311	90.0
250.11719	3.4
267.12415	1.9
269.04550	2.4
291.12378	2.9
329.75021	0.9
385.18805	1.7
397.09335	3.2
409.31799	1.1
411.10870	1.5
411.16553	32.0
429.17624	100.0
430.17853	6.0
443.19223	1.2
459.22147	0.9
547.14661	1.4
573.12476	7.4
591.13422	1.7
591.22888	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	591.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33903	1.4
55.01863	1.7
55.54251	1.3
57.03447	10.5
59.01380	61.9
69.03452	3.9
71.01382	38.4
71.52725	1.8
72.99311	3.9
73.02939	2.4
81.03469	2.2
83.01398	2.2
85.02943	34.9
85.69318	1.5
87.00875	3.6
88.94402	1.7
89.02443	34.0
89.42905	1.6
93.03460	3.0
95.01360	2.2
95.05006	2.3
99.00871	4.2
99.04515	8.0
101.00982	1.5
101.01800	2.1
101.02448	22.0
103.00379	1.9
111.00896	3.4
111.04523	2.0
112.17622	1.4
113.02452	21.9
119.03493	15.1
120.05750	1.5
125.02444	4.4
126.90474	9.9
129.01913	3.6
131.03517	1.5
143.03473	3.2
147.02963	3.2
149.04573	3.9
161.04555	4.9
161.09659	2.2
161.13364	21.8
172.08972	1.5
173.04593	2.4
178.39752	1.4
179.05623	12.2
185.13342	1.5
187.11284	19.6
191.01958	10.8
191.03850	1.7
191.05579	11.5
205.12320	34.5
209.02953	3.1
222.83147	1.5
223.13313	4.5
226.11028	1.4
229.12308	4.6
249.11302	100.0
250.11652	4.2
267.12360	5.7
284.59702	1.5
291.12372	5.6
343.38306	1.5
385.19052	3.1
393.17621	2.1
399.16162	3.5
411.16571	35.2
412.16794	2.3
429.17630	98.8
430.17838	5.7
463.08386	1.8
503.17795	1.6
518.76184	1.6
528.51331	2.0
555.23016	9.2
573.18951	2.1
591.13116	2.8
591.22791	29.4
592.22644	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	591.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	12.3
58.00596	2.6
59.01379	100.0
61.98825	6.2
69.03457	2.1
71.01381	56.5
71.52956	2.4
72.99310	5.3
73.02952	5.4
75.00860	1.8
79.05544	2.3
81.03452	1.6
83.01392	5.9
83.05045	2.3
85.02955	31.2
85.42306	1.4
85.59023	1.7
87.00881	8.0
89.02443	58.5
93.03467	5.5
95.01400	4.5
95.05073	2.5
96.96039	2.4
97.02953	3.0
99.00900	1.9
99.04518	11.6
100.62719	1.6
101.02438	31.5
103.00398	3.5
109.02961	2.8
111.00875	3.7
111.04523	4.4
113.02453	32.6
119.03493	29.7
119.04961	1.4
120.05784	1.6
125.02420	9.5
129.01968	2.2
131.03458	3.2
137.02423	2.4
143.03499	5.4
147.03027	2.8
147.11876	2.0
149.04532	2.9
151.00464	2.8
155.03450	2.0
157.06557	1.9
159.02922	1.6
159.11725	3.8
161.02484	1.5
161.04533	11.2
161.09776	3.2
161.13356	28.4
173.04547	5.8
175.02505	1.5
179.05608	28.3
185.09734	2.9
185.13310	3.2
187.11275	53.5
187.37889	1.6
191.01947	5.5
191.05640	6.3
203.07179	2.2
203.14371	2.2
205.12343	56.7
206.12798	2.2
207.10181	2.0
209.02911	2.4
223.09772	3.3
223.13408	9.5
229.12311	17.4
231.10228	3.5
243.12440	2.1
247.13383	10.2
249.11301	62.5
250.11479	3.3
267.12399	4.7
277.14526	1.8
289.07117	3.4
291.12433	2.7
301.03192	1.8
351.14673	3.7
373.15067	2.7
385.18637	17.3
385.69522	1.6
399.16541	2.4
405.17804	2.2
411.16708	15.9
417.17313	3.6
420.76929	1.7
429.17606	84.9
430.17856	4.3
431.35638	1.8
465.08167	1.7
527.19012	1.5
573.12799	2.7
591.23175	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	591.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03452	4.4
57.80670	0.9
58.00610	2.3
59.01381	69.2
62.55940	0.9
65.00318	2.3
70.10841	4.3
71.01383	40.3
72.99307	4.1
73.02939	1.4
74.51668	0.9
75.00885	1.0
80.02665	0.9
83.01387	3.8
85.02451	1.6
85.02952	20.8
87.00866	3.2
88.98790	1.6
89.02444	37.7
93.03465	1.5
95.01386	4.2
95.05064	1.1
97.74139	0.9
98.20034	1.0
99.04497	5.7
101.02444	18.8
107.01373	2.9
111.00912	1.6
111.04510	1.9
113.01718	1.7
113.02453	21.5
115.03959	1.0
119.03499	15.4
120.05784	1.2
125.02440	2.7
129.01964	1.5
131.03508	1.6
143.03510	3.3
147.03001	1.4
149.04521	2.9
151.00368	12.6
157.06548	1.7
159.02997	1.2
159.08139	1.1
159.11757	1.0
161.04526	4.8
161.13353	18.7
171.08376	1.2
173.04518	1.8
174.02139	1.1
178.99863	3.2
179.05589	14.4
180.06013	1.1
185.09697	1.9
185.13300	1.3
187.11287	23.8
188.11658	1.2
191.01981	3.7
191.05585	1.6
203.14343	1.3
205.12328	36.7
206.12683	1.3
223.13318	2.5
227.03474	1.3
229.05057	1.0
229.12320	8.0
231.10228	2.6
243.02980	2.1
245.04587	1.0
247.13446	4.7
249.11305	54.6
250.11697	2.2
255.02960	5.4
267.12341	1.9
269.13885	1.8
271.02463	9.3
271.05914	2.4
272.03091	1.4
291.12338	2.5
300.02771	12.8
301.03506	32.9
302.03818	1.5
337.82755	1.0
351.14236	1.7
385.18719	5.6
397.09268	17.5
398.09552	1.3
411.16556	16.6
412.16901	1.1
417.17313	1.1
429.17618	100.0
430.18149	7.6
466.98480	1.2
471.18924	1.1
573.12225	11.9
591.13312	9.3
591.22748	17.6
592.13745	1.5
592.23041	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.03448	2.5
59.01381	9.1
61.98836	0.4
63.02400	1.3
65.00339	1.0
67.01877	0.4
69.03444	0.5
69.67580	0.7
69.67995	1.1
71.01385	8.5
72.99298	1.7
73.02945	0.7
75.00874	0.6
77.28909	0.3
83.01391	2.1
84.02128	0.5
85.02947	11.3
86.38704	0.3
87.00874	1.3
89.02449	2.8
93.03448	1.6
95.01381	1.1
96.95996	0.3
99.00877	1.3
99.04498	0.4
101.02412	1.9
103.00379	0.5
107.01390	2.1
111.00854	0.8
111.04505	0.5
113.01724	0.4
113.02454	4.7
115.00345	1.3
117.03468	3.4
121.02960	0.6
125.02498	1.7
126.62617	0.3
126.90388	0.5
129.01933	2.0
131.03516	0.8
133.01411	0.6
135.04504	0.5
137.02422	0.5
139.03969	0.3
147.02974	0.9
149.02412	1.0
149.04504	0.6
151.00356	2.3
157.06604	0.5
159.03096	0.5
159.04510	1.7
161.02428	1.3
161.13336	0.7
163.00343	0.3
165.04025	0.6
167.03403	0.3
169.06560	0.5
173.04529	0.9
175.02484	0.5
178.99957	0.7
179.05681	0.6
181.06596	0.7
183.04507	0.8
183.10248	0.9
184.30676	0.4
187.11220	0.6
191.01976	5.1
191.05597	2.5
192.05826	0.4
197.06001	0.8
199.04002	0.5
200.67342	0.4
201.05524	0.7
201.11261	1.0
205.12325	0.6
207.10258	0.4
209.03036	0.9
211.04056	0.4
223.09758	0.4
223.13330	2.2
224.04692	0.6
225.05515	1.2
227.03555	0.8
241.14374	0.4
243.02931	0.5
243.12297	1.3
249.11319	2.7
255.02914	0.8
255.16205	0.4
267.12326	2.5
268.03827	1.5
269.04535	100.0
270.04840	4.3
271.02451	0.9
281.04514	0.8
285.03964	0.5
300.02716	1.1
301.03540	5.6
303.07272	0.8
311.05618	0.4
321.08261	5.5
323.05524	0.6
365.06735	0.5
397.09195	1.7
399.16586	2.2
411.16574	1.1
417.17163	0.4
427.06628	0.3
429.17590	1.6
443.18445	0.5
457.11908	0.5
459.21826	0.6
529.13721	1.3
540.81635	0.4
547.14398	0.9
566.21539	0.3
573.12207	1.1
591.13007	8.9
591.22192	1.7
592.13678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94618	0.4
57.03442	0.5
59.01378	2.9
60.57706	0.3
63.02415	0.6
65.00332	2.1
67.20013	0.4
71.01388	0.8
73.02936	0.4
83.01383	1.6
85.02960	1.0
91.01883	0.3
91.96900	0.3
92.57755	0.3
93.03453	1.0
96.12504	0.3
101.02470	0.7
107.01385	4.2
108.02165	1.0
108.07745	0.3
109.02942	2.5
119.01379	0.4
121.02961	3.4
125.02442	0.7
135.00880	1.1
137.45047	0.3
148.01694	1.3
149.02502	0.6
151.00371	16.5
151.01598	0.8
152.00781	0.3
159.04561	0.7
163.00374	4.5
163.05878	0.3
165.01898	0.3
175.55116	0.3
178.99852	9.2
183.04532	0.6
187.04045	0.5
193.01433	0.4
199.04041	0.8
201.05502	0.7
203.03561	0.8
211.03961	2.1
213.01910	0.4
215.03546	0.9
226.02692	0.8
227.03523	2.3
229.04974	0.9
239.03493	0.6
243.02959	6.8
245.04512	2.3
254.02235	1.4
255.02977	17.7
256.03442	1.0
257.04660	0.6
271.02466	35.5
272.02856	1.9
273.04062	1.8
283.02441	2.8
299.01932	1.4
300.02737	46.0
301.03503	100.0
302.03851	5.6
394.49091	0.3
531.28064	0.4
591.13501	26.6
592.14105	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	590.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
66.85261	0.6
66.94067	0.6
69.76697	0.6
71.11926	0.7
71.53249	1.1
78.95908	10.8
86.71242	0.7
96.96994	1.1
143.58817	0.7
145.39479	0.7
152.99570	6.1
165.12828	0.9
171.10291	1.0
183.14027	0.8
207.10257	1.2
209.11884	0.9
211.13390	4.5
225.11456	1.1
392.81885	0.7
401.84610	0.8
405.67535	0.6
433.02686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21359	0.7
59.01379	100.0
66.42241	0.8
66.64784	0.8
69.17873	1.4
69.18277	6.6
154.99094	0.8
255.24059	0.8
277.21744	10.5
345.03632	0.8
373.17767	0.8
410.99094	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.1
57.03428	1.9
59.01380	39.2
61.98830	11.2
65.94288	0.4
68.98501	0.4
69.03457	1.0
69.20712	3.8
71.01382	36.4
72.99296	1.1
73.02943	13.6
75.00871	0.9
81.03410	0.6
83.01392	7.8
83.12688	0.5
85.02949	16.1
87.00880	2.2
87.04514	0.7
89.02446	9.2
95.01396	2.2
97.02944	1.8
99.00886	4.7
101.02441	28.0
103.04029	2.6
113.02454	14.2
115.03997	0.9
115.83278	0.4
119.03530	2.6
125.02437	3.4
129.01920	0.6
131.03510	0.5
143.03473	2.3
145.04968	0.7
159.02974	1.9
161.04567	14.7
163.06087	3.1
205.07191	0.9
209.11819	1.7
229.07224	0.6
247.08086	0.7
383.24377	21.2
384.24670	1.5
529.30157	100.0
530.30621	9.0
589.32813	1.0
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
55.01871	2.1
57.03436	1.5
58.00592	0.9
59.01380	41.9
61.98829	11.3
69.03442	1.2
69.47633	1.3
69.48052	2.0
71.01382	35.7
72.99278	2.2
73.02946	14.5
75.00871	0.9
83.01383	9.7
85.02953	17.3
86.00119	0.7
87.00879	1.9
87.04548	0.4
89.02441	8.8
95.01414	2.4
97.02946	2.1
99.00887	4.6
101.02444	25.6
103.04002	2.1
113.02448	13.3
116.92786	0.4
119.03484	2.4
125.02476	2.7
129.01941	0.8
131.03490	0.6
133.01129	0.6
143.03467	1.9
145.05112	0.8
159.03001	3.1
161.04553	14.0
163.06105	1.8
171.10266	0.4
205.07130	0.8
211.13530	0.5
229.07082	1.2
244.71596	0.5
247.08145	0.7
369.22205	0.5
383.24371	23.6
384.24756	1.6
529.30157	100.0
530.30536	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	589.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35136	0.9
55.01859	1.9
57.03448	2.1
59.01382	34.4
60.99307	4.3
61.98831	30.3
67.11440	1.1
69.90467	1.0
71.01382	32.2
71.53786	1.3
72.99306	1.6
73.02955	11.5
73.19028	1.0
75.00870	5.4
83.01388	6.1
83.05006	1.1
85.02942	13.5
87.00899	2.0
88.98803	27.5
89.02461	6.2
95.01427	2.6
97.02927	1.8
99.00893	3.9
101.02444	23.2
101.34880	1.2
103.03999	1.7
113.02454	13.4
119.03538	2.6
125.02454	3.8
143.03502	1.9
157.42296	1.1
159.03020	2.5
159.10243	2.4
161.04539	12.2
163.06119	1.2
173.04626	1.5
209.11935	1.7
211.13388	1.9
307.58517	1.2
383.24466	15.3
430.08936	1.7
529.30151	100.0
530.30493	11.0
589.32001	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91740	0.5
59.01377	2.6
61.83787	0.7
65.83739	0.5
66.22367	0.6
66.98454	0.5
71.01379	2.2
71.52703	0.7
71.53106	0.8
73.02947	0.6
80.34377	0.6
86.58399	0.6
87.00881	6.4
88.04030	1.5
89.02448	1.3
91.05529	3.5
93.03452	1.5
99.00879	1.8
101.02419	0.8
115.00312	0.7
119.05025	100.0
120.05351	2.4
132.03041	3.0
145.06586	0.8
147.04506	0.6
161.06111	1.0
163.04005	74.5
164.04359	2.3
173.04532	1.2
189.05586	0.6
191.05591	1.5
205.05048	1.4
206.08151	0.7
207.08519	0.7
250.07259	1.6
251.05437	3.9
251.07767	0.7
290.14117	0.7
333.31735	0.6
457.13483	59.6
458.13736	3.9
459.18723	0.7
532.83472	0.7
589.17682	23.5
590.17932	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	589.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60950	2.3
69.56062	13.3
87.00873	42.8
87.01378	2.5
88.04041	9.1
91.05540	27.3
111.30960	2.3
132.03035	13.1
133.03418	2.6
145.06615	4.5
163.04012	100.0
173.04518	7.4
189.05536	3.4
226.44028	2.5
233.04745	2.6
246.21860	2.4
250.07176	10.2
251.05533	33.3
260.25931	2.1
265.48798	2.3
288.45294	2.3
311.06192	2.2
363.94858	2.4
483.75333	2.4
509.21445	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	587.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65789	1.9
52.35569	2.0
55.08713	1.9
59.01380	100.0
61.98834	43.7
63.20296	2.0
69.45595	14.2
71.01390	48.8
72.99317	8.4
73.02950	28.4
75.00875	2.5
83.01392	6.1
85.02950	17.3
87.00870	9.6
88.98800	3.6
89.02444	36.1
89.06361	2.3
100.83642	2.5
101.02446	69.0
103.04021	19.4
106.52188	2.2
108.90030	2.1
113.02467	12.6
115.04033	5.4
115.49308	1.9
116.92847	7.9
119.03520	15.9
125.02466	7.9
127.03946	3.1
130.23494	2.2
131.03522	12.5
143.03499	13.1
145.05055	6.7
151.82948	2.3
161.04535	3.2
163.06133	90.1
171.10326	3.2
179.05513	3.5
205.07176	28.3
207.50455	2.1
209.11931	2.6
243.02985	3.5
265.09268	10.2
267.92953	2.2
271.02423	8.7
299.02002	15.5
325.11511	3.0
381.23016	11.6
385.58133	2.6
448.48474	2.3
455.26810	3.4
527.28613	55.3
528.29059	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	587.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23977	0.5
57.03451	0.9
59.01380	5.1
60.99306	0.8
61.98830	37.1
62.98544	0.7
63.99241	1.3
65.00311	1.5
71.01395	1.8
71.53571	0.7
73.44841	0.6
81.03458	1.3
83.01397	1.6
83.05020	1.0
85.02949	2.1
87.00886	1.2
88.98814	4.5
89.02442	1.0
93.03449	3.9
93.53918	0.7
96.95990	2.0
101.02432	1.0
107.01408	4.1
109.02924	1.3
113.02443	1.1
119.05006	2.1
121.02966	3.2
122.03760	0.7
123.00860	1.0
123.04530	2.6
125.02459	5.1
133.02954	12.5
136.65265	0.8
145.02975	1.0
147.04507	0.7
149.02444	5.5
149.04460	0.8
150.03229	5.7
151.00371	11.5
151.03569	0.7
163.03973	1.5
164.04793	1.3
165.05603	6.6
166.06284	2.8
167.03490	3.6
169.01387	0.8
169.10815	0.6
173.04570	2.5
175.03998	3.3
178.99770	1.8
179.03453	1.0
181.08640	1.8
189.01981	0.8
191.03473	0.7
191.05611	2.5
195.06528	4.2
199.03976	2.5
217.01579	1.2
217.05019	1.7
241.05103	1.1
273.07660	4.4
285.04031	100.0
286.04385	3.9
299.05740	0.8
301.03549	7.8
341.06607	2.9
412.26657	0.9
425.08850	6.6
435.10895	3.0
539.22998	4.0
586.32074	0.8
587.13354	1.9
587.28687	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	586.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07475	0.3
55.01860	1.1
57.03433	1.1
58.00584	1.0
59.01379	20.4
61.98830	1.7
62.74198	0.3
66.95774	0.3
69.03474	0.3
70.25710	0.5
70.26079	0.9
71.01383	17.9
72.86347	0.3
72.99297	1.6
73.02950	3.1
76.67455	0.3
83.01391	2.4
85.02948	6.7
85.03461	0.4
87.00867	1.1
89.02442	9.3
95.01402	1.5
97.06586	0.6
99.00898	1.3
101.02448	11.1
111.00858	0.3
113.02448	6.8
114.09194	0.3
115.07646	1.2
119.03496	2.7
125.02410	0.3
131.03452	0.4
138.56763	0.3
156.10316	2.2
158.10640	0.5
158.11865	6.7
159.03008	0.6
161.04541	1.1
167.14420	5.4
168.13899	0.4
211.11473	0.5
211.13383	7.3
221.19113	0.4
223.17035	1.1
229.14412	4.3
237.18539	1.2
241.18155	0.7
247.17072	0.3
265.18185	3.4
265.21384	1.9
267.19614	0.5
283.22690	0.4
290.21152	0.9
291.19653	0.6
308.22391	1.8
309.20621	1.5
320.17105	1.6
398.69107	0.3
434.23846	0.4
488.28741	3.9
530.51178	0.3
568.34991	0.8
586.35938	100.0
587.27008	0.6
587.36279	9.0
596.34155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.2
57.57026	0.1
59.01366	0.6
61.98830	100.0
62.98548	0.2
63.99265	0.3
69.69962	0.1
71.01389	0.3
85.02996	0.2
89.02425	0.3
92.85944	0.1
93.03486	0.2
96.31425	0.1
96.96009	0.1
98.20702	0.2
99.17730	0.1
99.92549	0.1
116.92870	0.4
117.92858	0.2
119.04957	0.1
125.02470	0.1
132.31184	0.1
137.02518	0.1
163.04111	0.1
173.04616	0.2
191.05586	0.3
194.35149	0.1
217.57742	0.1
463.89706	0.1
509.42389	0.1
526.35999	0.2
586.16730	0.2
587.26624	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	584.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
59.01114	0.1
59.01367	0.7
61.98832	100.0
69.59325	0.9
71.01402	0.5
82.44258	0.1
89.02448	0.2
93.03467	0.2
93.24516	0.1
96.96042	0.2
98.19939	0.2
101.02430	0.3
113.02496	0.2
125.02481	0.7
137.43690	0.1
149.04558	0.1
151.00359	0.1
193.01451	0.4
283.02560	0.2
303.05051	0.2
524.35132	0.9
567.11566	0.2
585.12817	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1251
Annotation	CHEBI:73787
Peak:m/z	Relative Intensity
52.36865	0.9
54.40533	1.0
57.03451	15.5
59.01379	12.7
61.98832	100.0
65.00311	4.5
71.01371	6.9
71.53526	1.3
71.53922	1.2
72.99309	1.0
73.02956	1.5
81.03493	1.2
81.59439	0.9
83.01392	7.9
85.02946	4.0
87.00852	1.9
89.02425	4.3
93.03454	4.3
95.01397	3.6
96.95981	1.4
97.02897	1.3
99.00867	1.3
101.02444	5.0
107.01391	10.1
109.02313	0.9
109.02917	5.7
111.00867	2.8
111.04534	1.4
113.02457	2.8
116.92850	3.0
119.03469	1.6
119.05017	1.6
121.02964	11.4
123.00858	4.9
123.04479	1.3
124.01685	6.2
125.02449	80.3
126.02786	1.9
135.04538	3.0
137.02429	13.9
138.03264	1.3
139.00519	1.2
139.04033	6.1
147.00851	1.7
149.02438	1.9
151.00378	28.0
151.01581	1.8
151.03937	1.6
152.01166	5.9
153.01950	14.7
155.03465	4.1
159.04500	2.0
161.02452	2.5
161.04512	1.6
163.00360	3.8
163.04004	4.1
164.01138	1.6
165.01944	17.9
166.02733	2.0
167.03510	15.3
169.01373	2.0
171.63051	1.1
173.02390	1.2
173.04572	2.9
173.05977	1.2
174.03218	1.0
175.00359	4.0
175.03909	2.2
176.01038	1.4
177.01912	4.1
178.99867	29.0
179.05661	1.5
181.01401	2.6
183.04605	1.4
187.03979	2.1
189.01878	2.6
189.05510	1.2
190.02707	3.5
191.03499	12.4
191.05493	2.1
192.00572	1.6
193.01421	85.2
193.61148	1.3
194.01851	2.4
199.04140	1.6
201.05576	1.8
203.03481	1.6
204.04205	1.1
205.04979	3.4
211.03973	2.6
213.01939	1.3
215.03568	5.7
217.01381	1.5
223.13298	1.3
225.05539	1.4
227.03456	5.1
229.04985	3.1
231.02910	1.3
232.03671	2.7
233.04495	8.0
239.03522	2.9
255.02956	12.3
256.03772	1.9
257.04407	5.8
273.04056	1.6
274.04736	1.5
275.05621	8.8
283.02478	38.4
284.02887	1.8
300.02692	2.1
301.03561	9.8
319.04538	3.4
431.09506	1.3
433.11148	2.0
441.08252	2.2
457.11130	1.1
459.09363	27.3
460.09149	1.8
523.12524	2.4
524.35242	6.4
525.35413	2.1
534.50342	1.3
541.13544	3.8
557.12836	5.6
567.11450	54.4
568.11847	4.5
585.12482	54.0
585.26917	7.5
586.12384	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	584.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.7
61.98830	100.0
66.92467	0.1
71.01389	0.2
85.02982	0.2
93.03477	0.2
98.20667	0.3
101.02477	0.3
113.02402	0.2
118.01849	0.1
123.00909	0.2
125.02471	0.6
127.43046	0.2
128.79825	0.1
129.48164	0.1
137.02480	0.1
150.71909	0.1
151.00363	0.2
153.02003	0.2
193.01537	0.2
218.79903	0.1
248.15268	0.1
249.56012	0.1
283.02414	0.2
303.05200	0.3
455.10333	0.2
500.43930	0.2
524.35101	0.9
551.92462	0.1
567.11707	0.3
573.03442	0.1
574.92395	0.2
585.12964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
61.98831	100.0
63.99265	0.2
65.29592	0.2
69.57210	0.4
69.57589	0.9
71.01392	0.6
73.02965	0.3
85.02955	0.4
93.03519	0.2
96.96022	0.6
101.02477	0.6
101.18745	0.2
102.02770	0.2
113.02454	0.2
116.92889	0.6
123.94545	0.2
125.02489	0.2
149.19533	0.1
163.04082	0.2
169.05106	0.3
173.04510	0.2
523.34790	0.8
524.35059	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	584.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04594	0.2
59.01373	0.3
61.98831	100.0
65.78695	0.2
69.23217	0.7
69.23640	1.1
71.01390	0.2
85.02955	0.2
87.13751	0.2
125.02483	0.7
143.74759	0.2
173.04610	0.4
206.08139	0.2
307.58466	0.2
367.64877	0.2
402.15323	0.3
584.14209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.2
58.39642	0.1
59.01379	0.5
61.98831	100.0
62.04274	0.1
67.47115	0.1
68.09525	0.2
70.65329	0.3
80.20077	0.1
84.70693	0.1
87.00912	0.2
87.04523	0.2
88.07970	0.1
89.02457	0.2
90.12113	0.1
93.03502	0.2
96.96036	0.3
101.02464	0.2
113.02465	0.2
115.92122	0.2
116.92868	0.4
119.05076	0.2
125.02472	0.6
137.02466	0.2
138.81294	0.1
162.88097	0.1
166.35443	0.2
166.36787	0.1
170.92194	0.1
181.15236	0.2
188.55695	0.1
373.25717	0.2
441.54285	0.2
584.24615	0.4
584.33313	0.2
585.25531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46794	0.2
55.27946	0.2
55.39352	0.1
59.01381	1.2
61.01775	0.2
61.98830	100.0
62.82650	0.2
68.65261	0.2
69.18465	1.7
74.24299	0.1
78.72320	0.2
85.02949	0.2
112.56473	0.2
167.03500	0.4
172.69220	0.2
173.04613	0.2
189.30824	0.2
373.09464	0.3
374.09750	0.7
404.10892	0.4
433.11218	0.2
434.11804	0.2
435.79938	0.2
576.09320	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62986	0.1
59.01363	0.5
61.98828	100.0
62.98521	0.1
69.85445	0.5
71.01379	0.2
73.50507	0.1
75.00869	0.3
85.02950	0.1
87.04513	1.2
88.98808	0.3
96.96028	0.3
101.02439	0.2
113.02465	0.2
114.07243	0.1
116.92878	0.2
125.02477	0.1
146.19293	0.1
150.03270	0.1
163.04292	0.1
169.01486	0.1
171.44235	0.1
201.29814	0.1
218.95911	0.1
300.02863	0.4
301.03033	0.5
305.63660	0.1
315.05255	0.3
316.05576	0.3
431.08844	0.1
435.15897	0.1
519.32678	0.1
523.27850	0.4
533.93500	0.1
582.13672	0.4
589.93408	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	581.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72523	1.2
57.03452	3.2
59.01379	29.3
61.98831	52.7
65.03973	1.6
68.27547	1.2
69.20700	12.8
71.01389	19.1
73.02943	6.6
81.03428	1.9
83.01378	4.8
83.69977	1.2
85.02946	7.3
87.00872	2.2
89.02450	4.6
91.87949	1.2
93.03459	4.4
95.01414	2.0
99.00910	2.8
101.02446	17.6
109.02921	2.0
111.00876	3.3
111.04517	2.9
113.02438	8.5
116.92855	1.9
125.02451	3.5
137.02423	4.4
139.04007	3.9
144.81506	1.3
151.00388	1.8
155.03479	5.1
159.02956	2.1
161.04572	3.6
169.01367	3.5
169.05045	3.8
173.04546	2.5
201.14996	2.7
213.13522	1.5
229.14671	1.3
230.15144	2.2
241.77979	1.2
260.66214	1.3
299.39276	1.2
359.27945	10.3
404.06058	1.5
466.27670	1.4
521.33264	100.0
522.33667	9.6
537.26721	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	581.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64511	1.1
57.03450	6.0
59.01381	50.3
61.98830	24.1
65.03967	4.3
69.82977	1.1
70.08891	5.2
71.01385	34.0
72.99306	3.2
73.02938	7.1
73.05263	1.0
75.00901	1.9
81.03448	2.5
83.01388	3.8
85.02943	15.1
87.00858	8.0
87.72333	1.1
88.98808	3.1
89.02451	19.1
93.03460	4.7
95.01353	2.6
96.96019	5.5
97.06617	1.2
97.51034	1.1
99.00885	3.3
101.02452	19.6
109.02943	2.3
111.00873	2.1
111.04516	8.2
113.02459	15.9
116.92921	1.9
119.03526	6.7
119.05024	5.0
122.17992	1.1
125.02415	10.7
129.01913	1.6
135.02995	2.5
137.02426	8.3
139.03938	1.3
143.03519	1.5
151.00357	1.6
155.03481	4.4
161.02441	1.3
161.04564	4.4
163.03973	5.0
167.03508	2.2
169.01428	6.8
173.04517	3.5
179.05614	2.7
183.13940	6.0
187.13275	1.4
191.01909	1.9
191.05563	1.7
201.14987	1.6
209.03023	1.5
248.07935	1.3
278.65585	1.2
359.27991	11.8
435.25873	1.9
463.21671	1.9
521.33282	100.0
522.33441	8.3
537.26825	2.6
569.65668	1.3
581.25708	13.9
581.35498	7.0
582.27258	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97392	0.9
55.01875	1.7
57.03447	6.0
59.01377	35.5
61.98817	4.9
65.03957	1.5
67.87704	1.1
69.30035	8.1
71.01012	2.0
71.01379	24.7
73.02946	6.8
83.01364	4.3
85.02945	13.0
87.00880	5.3
88.98807	1.9
89.02437	10.1
93.03436	2.4
95.01383	2.2
97.02944	1.0
98.19949	2.4
99.00864	2.3
99.29453	1.1
101.02438	16.9
107.53278	0.9
109.02937	1.1
111.00846	1.5
111.04516	5.1
113.02438	10.1
114.85168	0.9
119.03471	3.0
119.04996	1.4
121.10212	1.4
124.01538	1.1
125.02457	18.4
125.86762	0.9
129.01947	2.2
137.02428	5.5
139.03969	1.0
145.01430	1.2
155.03488	3.8
161.04533	2.6
169.01425	21.8
179.05637	1.1
192.72797	1.0
201.14984	6.6
211.16995	2.3
236.72415	1.0
255.15958	2.4
280.95605	1.0
287.07816	1.6
329.51141	1.0
331.06711	6.6
337.90552	1.0
341.10037	1.5
349.32333	1.1
359.28186	6.2
373.25659	2.0
401.00720	1.1
419.16861	1.1
435.21945	1.9
449.27332	1.3
475.20972	1.3
520.02820	1.2
521.33276	100.0
522.33704	9.1
537.19482	3.2
565.90747	1.1
581.17621	2.0
581.26074	10.7
582.26477	1.3
590.36957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.6
57.03449	2.8
57.84931	1.0
58.00582	1.2
59.01380	39.7
61.98831	47.0
65.03970	1.5
69.29875	9.6
71.01384	22.8
72.99329	1.7
73.02954	7.4
79.87616	1.2
83.01393	3.4
85.02937	11.6
86.50133	1.0
87.00874	2.6
89.02450	8.4
93.03448	1.3
95.01380	1.9
99.00872	2.0
101.02437	16.3
108.85639	1.1
111.00902	1.4
111.04510	2.5
113.02464	9.4
116.92912	1.3
119.03508	4.3
119.05013	3.4
123.44341	1.0
125.02415	3.5
129.01967	1.9
137.02458	3.1
155.03531	2.1
159.03021	1.3
161.04552	3.7
161.96072	1.1
163.03987	1.3
168.00604	1.6
183.13921	1.3
191.05511	3.5
201.14955	3.8
201.78638	1.3
254.74185	1.4
275.64536	1.5
287.22318	2.4
359.27936	7.9
389.21530	1.2
449.23209	3.5
449.27673	5.8
500.22617	1.3
521.33282	100.0
522.33752	8.1
537.26715	2.1
581.19086	1.4
581.27814	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	581.321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13507	0.1
55.80125	0.2
56.40730	0.1
59.01380	0.7
61.98832	100.0
71.51625	0.2
73.60769	0.2
78.95919	0.8
92.72782	0.2
100.66052	0.2
108.11245	0.2
110.29740	0.2
120.58188	0.2
145.66661	0.2
147.90900	0.2
152.99640	0.2
157.04042	0.2
279.23322	1.3
280.23691	0.5
281.23978	0.3
282.24368	0.4
456.75842	0.2
504.31116	1.2
505.31479	0.2
506.31845	0.2
507.32266	0.6
530.33850	0.2
581.31580	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15009	0.2
59.01377	0.3
61.98828	100.0
69.22762	1.6
72.35375	0.2
78.95920	0.5
98.19921	0.4
137.94524	0.2
152.93668	0.2
152.99637	0.6
158.76222	0.2
177.32936	0.2
189.83620	0.2
231.89986	0.2
279.23267	1.8
280.23749	0.5
281.24088	0.5
282.24442	0.2
329.74185	0.2
504.31360	0.8
505.32178	0.3
507.31683	0.3
581.32532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	7.7
59.01380	43.2
61.98836	41.9
65.03947	14.5
69.31612	31.7
71.01382	27.6
73.02954	8.8
75.00877	4.2
81.03466	4.7
83.01383	4.5
85.02951	23.2
87.00873	4.2
89.02442	17.0
89.24736	3.3
93.03457	15.0
96.96021	7.9
99.00896	5.7
101.02458	20.2
103.00349	4.3
109.02979	4.5
111.04547	21.5
113.02443	9.8
116.92844	3.9
119.03526	6.5
119.04995	8.0
125.02444	33.2
131.53029	3.4
137.02492	23.5
155.03474	12.9
163.04042	10.8
167.03543	8.7
169.01428	35.8
173.04424	4.0
185.11864	7.8
198.20981	4.2
198.94119	3.8
259.60217	4.5
269.04611	4.9
287.22403	8.6
359.27850	8.0
449.27805	29.8
500.22360	9.5
513.15881	4.3
521.33148	55.4
537.26898	8.1
545.29871	4.2
581.19128	7.1
581.27338	100.0
582.27350	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	581.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43739	6.8
52.33053	7.0
59.01376	27.8
61.98833	100.0
62.60485	6.3
71.01414	12.0
71.52480	9.8
75.00858	9.2
89.02512	9.6
96.96016	9.6
116.92867	12.8
125.02418	8.3
155.30476	8.5
196.87437	8.0
197.11897	17.0
253.09219	19.4
272.31464	9.2
291.19513	11.3
309.20578	31.3
345.20535	9.1
415.73761	7.4
457.05637	7.8
581.28040	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21093	0.8
55.01871	1.2
55.22029	0.9
57.03443	5.9
58.00580	1.0
59.01380	81.5
63.51998	0.7
63.81620	0.9
69.46344	6.1
71.01384	19.0
72.99344	2.0
73.02959	1.6
83.01389	2.4
83.05025	1.5
84.83829	0.8
85.02947	6.0
87.00877	2.8
89.02440	14.7
93.03460	2.4
95.01393	1.6
97.28851	0.7
99.04510	7.9
101.02430	8.3
109.06635	1.2
111.00894	2.3
111.04490	1.2
113.02467	6.5
119.03498	4.6
121.95137	0.9
125.02435	1.1
129.01947	3.6
135.04529	1.2
135.50333	1.0
142.37679	0.9
145.94670	0.9
149.04507	4.6
154.75342	1.0
155.03455	1.5
165.12849	6.1
183.13907	1.4
189.12869	2.3
191.05650	2.0
191.10757	1.0
207.13922	12.2
209.11827	33.6
209.13815	2.0
210.12093	1.0
225.14919	10.7
227.12880	9.0
235.74849	0.9
239.05698	1.0
251.12885	8.3
269.13922	78.8
270.14337	2.8
285.04074	1.0
287.14972	9.6
329.13730	1.2
359.15353	1.7
401.18158	6.7
407.19312	2.0
419.19144	2.6
431.19226	1.4
435.18945	1.0
449.20248	100.0
450.20560	8.1
473.17426	0.9
493.19235	1.2
521.20367	4.3
554.34381	1.0
581.24536	70.4
582.16528	1.2
582.24457	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	581.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63772	1.0
57.03450	3.5
58.00592	1.5
59.01381	86.2
60.01694	1.3
62.81025	1.0
71.01382	16.0
72.99283	1.7
73.02939	2.3
74.83922	1.1
79.45873	1.1
85.02948	5.2
89.02440	15.6
95.01411	1.9
99.00834	1.1
99.04507	11.6
101.02445	8.3
105.92181	1.1
109.06585	1.4
113.02457	6.2
119.03491	3.9
131.03481	1.8
131.04546	1.0
149.04561	2.5
149.44972	1.1
165.12791	7.2
165.76364	1.1
173.81062	1.1
189.22536	1.2
207.13910	13.8
209.11824	38.4
210.12057	1.5
225.14922	12.5
227.12859	2.3
251.01804	1.2
251.12846	8.9
251.71741	1.4
259.83774	1.1
269.13925	75.7
270.14215	2.7
287.15131	6.5
344.12613	1.6
359.15109	2.0
401.18512	1.4
449.20276	100.0
450.20395	7.5
460.51288	1.2
496.39691	1.2
521.20447	6.5
581.24518	70.2
582.24689	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55720	0.4
57.03450	2.9
59.01381	100.0
60.01719	0.6
63.81228	0.4
69.20798	3.7
71.01397	2.9
72.99294	0.5
73.02955	0.6
85.02977	1.1
87.00918	0.5
89.02450	2.4
90.67957	0.4
91.41619	0.4
93.03468	1.2
99.00879	0.5
99.92591	0.5
101.02470	1.4
103.45773	0.4
111.00902	1.6
113.02479	1.6
116.92844	6.7
116.93597	0.5
119.03553	1.2
121.02966	1.2
125.02485	0.7
129.01944	1.3
137.02553	0.4
147.04578	0.8
161.04547	0.6
165.12900	1.2
183.13908	2.6
190.80330	0.5
209.11792	0.6
227.12898	3.6
255.10547	0.9
269.08203	7.9
269.13992	1.0
281.08264	1.0
283.09796	3.3
299.09314	5.0
311.09256	7.4
314.11575	11.9
315.11954	0.7
325.10886	1.4
326.11588	8.1
327.11606	0.7
329.13937	48.0
330.14291	2.8
341.13916	27.1
342.14307	1.2
359.15109	1.1
364.05487	0.5
407.19348	3.9
407.26428	0.6
449.20581	1.4
467.82278	0.5
493.19321	2.9
581.24445	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	581.1821
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
59.01381	11.9
59.29620	1.0
61.98831	16.5
69.79008	4.8
71.01374	1.5
78.95903	100.0
91.73139	1.2
96.96941	4.4
98.20626	2.4
99.92600	12.1
99.93765	0.9
100.93371	1.5
115.92078	36.4
116.92860	32.4
116.93708	1.4
117.92871	1.5
142.94371	1.3
144.03870	1.2
150.20461	1.2
150.98003	3.8
152.99579	27.2
155.95134	1.8
156.08595	1.2
163.89764	1.3
164.90517	1.9
171.00650	11.4
172.78943	1.0
172.95532	6.1
178.88417	14.4
179.89218	41.4
180.90030	29.1
181.90779	2.2
194.87888	4.1
196.89491	48.4
197.89511	1.2
198.80057	1.1
205.90804	5.2
206.91534	2.8
208.89442	2.1
219.92291	1.2
221.90228	2.9
234.90979	2.6
235.91867	12.2
236.90350	1.9
236.92616	28.9
252.92091	3.2
270.93149	2.6
276.95728	3.0
278.93564	3.9
292.95303	2.5
308.94516	1.2
309.95584	1.5
310.96317	6.2
326.95676	1.5
327.26135	1.1
367.79895	1.1
409.17041	1.2
422.40421	1.2
443.86469	1.1
471.56952	1.1
473.13977	6.2
481.25742	1.5
481.54135	1.3
490.14270	5.2
533.16089	4.9
545.16229	6.1
563.17017	6.1
581.18213	86.0
582.18176	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	580.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42936	0.1
57.03443	0.2
57.85319	0.2
59.01381	1.4
61.98832	100.0
69.21323	1.3
71.01385	0.3
75.00881	0.6
78.95912	0.2
80.51643	0.2
85.02950	0.2
96.96029	0.4
119.05110	0.2
120.09516	0.2
123.04594	0.4
125.02462	0.4
167.03488	0.3
173.04568	0.3
174.12581	0.2
241.08833	0.3
257.35391	0.2
358.26062	0.2
383.24350	2.1
517.30762	0.2
581.27808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59441	1.0
57.03434	2.1
62.05740	1.2
69.03471	1.9
69.37403	1.1
69.57568	7.2
71.01375	2.8
73.02933	2.4
81.03463	15.5
83.01382	12.9
83.04990	1.3
85.02964	2.3
93.03437	4.1
95.01389	4.7
95.05024	6.4
97.02956	9.6
99.04516	8.0
107.05026	3.5
109.02959	6.2
111.04498	5.1
113.02432	4.0
117.03459	3.1
121.02943	4.9
123.04514	25.5
124.01712	1.6
125.02448	42.0
125.06078	2.2
135.04501	5.0
137.02434	13.9
137.06070	3.5
138.03191	1.5
139.04008	5.2
145.77388	1.4
147.04509	2.9
149.02449	2.7
149.06062	1.6
151.03978	7.6
153.05550	5.4
155.03481	2.2
163.00327	1.4
163.04002	3.8
164.01279	1.1
165.01881	2.3
165.05577	5.2
167.03497	58.3
177.01895	2.8
177.05499	2.3
179.03488	15.8
181.05067	3.7
191.03510	3.7
193.05025	4.3
197.04527	20.1
209.04543	100.0
210.04860	4.6
221.04538	7.3
233.04565	1.4
239.05597	90.1
240.05859	2.8
251.05669	6.3
269.06665	41.3
270.06787	1.6
277.03470	2.9
281.06625	11.6
299.07709	15.0
311.07657	7.6
329.08798	17.0
341.08807	4.7
359.10016	1.8
371.07727	39.6
372.08026	3.6
395.37723	1.2
401.08643	37.2
402.09198	2.7
419.11871	9.8
431.09766	8.1
443.09793	5.1
461.10956	18.4
473.10928	6.2
491.11908	15.0
507.95819	1.5
521.12384	1.5
563.13806	3.0
581.14838	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	579.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.3
59.97795	0.2
61.98831	100.0
71.52547	0.3
78.95918	0.5
111.21719	0.2
121.38355	0.2
152.99596	0.4
256.35876	0.2
277.21716	1.7
278.22043	0.5
482.85748	0.2
502.29678	1.0
505.29919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05634	0.5
57.03444	1.0
59.01378	6.3
59.36797	0.7
61.15847	0.6
61.98536	1.1
61.98829	13.5
71.01392	1.9
73.02943	0.7
75.00870	4.5
83.01357	0.6
88.98786	1.9
89.02438	1.7
96.96017	1.1
101.02475	1.7
113.02511	0.9
119.04984	1.1
123.04477	0.6
125.02406	1.8
128.77071	0.7
137.02505	0.9
146.45326	0.7
152.01083	0.7
165.09206	0.8
167.03514	2.4
169.01448	0.9
179.05670	0.9
179.39812	0.6
185.11826	2.3
191.03452	0.6
209.08235	3.1
211.13318	0.9
229.14417	1.6
243.06612	1.2
297.24237	1.2
309.24445	0.9
325.23874	1.5
327.25406	10.5
339.25342	4.3
355.24896	0.8
357.26447	100.0
358.26816	8.4
381.22812	1.2
401.54901	0.8
519.30902	0.9
579.25525	1.8
579.33997	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	579.294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90324	3.4
57.39296	3.3
59.01360	6.9
61.98831	100.0
62.97775	3.0
66.11031	3.1
69.46344	24.2
75.60198	3.7
93.59692	2.8
94.23454	3.1
98.19891	4.8
139.30249	3.1
161.72250	3.0
173.04500	9.2
185.52075	3.0
209.11794	4.7
286.88016	3.3
599.83301	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	579.1356
Annotation	Artabotryside A
Peak:m/z	Relative Intensity
51.74644	0.3
57.03451	0.3
59.01371	1.1
61.79829	0.3
65.00326	0.3
69.32429	2.5
71.01379	1.0
85.02942	0.4
89.02436	0.6
96.53819	0.3
96.76265	0.3
101.02463	0.3
101.44616	0.3
104.09338	0.3
107.01398	0.9
108.02156	1.6
121.02950	0.4
125.02441	1.4
130.05771	0.3
135.00868	0.9
141.03503	0.4
148.01669	1.1
151.00362	3.2
163.00403	0.6
164.01195	0.6
178.99858	2.7
199.03905	0.4
211.03972	0.5
214.91968	0.3
226.02699	1.4
227.03441	2.7
229.04979	0.3
243.02986	8.7
244.03535	0.4
254.02112	2.0
255.02983	22.5
256.03317	1.1
271.02463	50.8
272.03040	2.6
284.03253	0.4
285.04053	0.9
299.02084	1.9
300.02728	100.0
301.03293	8.7
303.04950	1.6
399.20255	0.9
418.41290	0.3
535.70691	0.3
579.13544	75.5
580.13824	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	579.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10014	0.6
55.07903	0.6
57.03445	7.0
59.01380	10.4
62.50219	0.6
67.01891	0.8
69.03456	1.3
69.44248	4.3
69.49509	0.7
71.01373	3.8
72.99311	0.7
73.02937	1.0
78.04980	0.6
81.03468	1.2
83.01383	3.0
85.02948	3.5
87.00875	2.2
89.02420	3.8
93.03480	3.5
95.01392	1.5
95.05019	1.8
96.95978	1.1
97.02942	1.9
98.20631	1.4
99.00900	0.8
99.04510	1.1
101.02444	2.8
103.00378	2.3
104.99120	0.8
109.02922	0.8
111.00874	2.4
111.04509	0.9
113.02439	3.8
115.00396	1.6
119.03543	0.7
119.05010	5.9
121.02991	1.0
123.04459	1.1
125.02451	13.0
126.07810	0.6
129.01910	2.2
131.01404	0.9
137.02455	4.5
137.68079	0.9
139.04001	2.0
147.02972	0.7
149.02452	1.7
150.03284	1.1
151.03984	1.0
152.95988	0.8
157.06525	1.0
159.04541	1.1
163.04010	1.0
163.11218	0.9
164.01146	4.6
165.01959	3.7
167.03517	6.6
171.04483	0.8
173.04547	2.3
173.06076	2.2
175.00391	3.7
175.02466	3.5
175.04001	2.3
177.01982	1.8
179.03510	6.2
181.05122	1.2
181.12375	2.4
183.04492	1.4
185.06073	1.8
187.03964	4.1
189.01889	1.0
189.05582	2.4
191.03520	1.1
191.05597	3.0
193.01431	1.0
199.04044	1.4
201.05586	3.3
203.03554	5.3
204.04294	4.6
205.05038	3.4
211.04050	6.7
213.01981	5.2
213.05653	1.7
214.02588	1.2
215.03508	2.6
217.01552	1.4
217.05020	6.5
218.05754	1.6
219.03101	0.9
219.06598	1.6
225.11397	3.9
226.02666	1.0
227.03506	6.0
228.04155	1.6
229.05016	6.1
230.02232	1.5
231.02979	13.9
232.03712	7.8
233.04515	10.1
239.03485	2.6
240.04291	0.9
241.05093	3.7
242.02228	1.3
243.02951	2.4
243.12236	1.3
244.03871	1.6
245.04517	8.9
246.05240	1.0
247.02542	1.2
247.06076	3.0
251.03520	1.7
252.94325	0.8
255.03011	2.5
256.03748	3.1
257.04562	41.0
258.01758	2.6
258.04913	1.7
259.02448	3.2
260.03143	1.6
261.03992	9.8
267.02975	1.8
267.12277	1.0
269.04492	5.1
271.02744	1.0
271.06070	1.2
272.03503	1.6
273.04044	16.8
274.04617	0.9
275.05634	6.4
276.05856	1.0
279.02899	1.2
283.02515	1.0
283.06104	1.1
285.04059	16.1
287.05682	1.6
295.06052	5.4
297.04022	4.2
300.02881	0.9
301.03577	3.0
303.05054	9.5
307.05994	1.0
313.07181	4.9
315.05084	1.0
319.06851	0.9
337.07251	1.7
343.08118	1.5
377.06790	1.0
399.07220	2.2
405.06100	2.1
405.17398	4.8
411.07205	0.9
413.08658	1.4
417.17294	0.8
423.07120	5.0
435.07056	1.0
439.06546	1.6
441.08261	100.0
442.08609	5.6
453.08310	3.2
459.12994	3.0
491.17700	2.3
535.12811	1.2
561.10309	1.9
579.10297	19.6
580.11572	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	23.9
61.98833	1.9
70.57480	0.6
70.57832	0.6
71.01390	0.5
78.95907	22.3
78.98569	0.5
79.95721	0.4
80.96526	4.7
94.98077	1.1
104.31911	0.3
104.97496	0.3
134.97588	0.3
148.99124	0.4
152.99588	3.1
164.98648	0.8
168.04295	3.5
224.06950	8.6
225.00775	0.7
238.60612	0.3
242.08022	2.5
261.22305	0.6
261.48981	0.3
279.23285	100.0
280.23615	6.0
360.47531	0.3
374.96896	0.3
504.30972	72.8
505.31326	6.2
578.27161	7.5
579.26666	0.7
600.81531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64786	0.2
59.01381	16.0
61.98814	0.2
69.22694	1.9
71.01377	0.7
78.95908	5.5
78.98592	0.5
79.95731	0.8
80.47256	0.2
80.96516	5.6
82.96102	0.4
87.00791	0.2
94.98089	0.8
101.02488	0.3
102.01096	0.2
106.98079	0.3
122.97602	0.4
131.01346	0.2
134.97557	0.6
148.99142	0.3
152.99634	1.1
164.98639	0.9
168.04344	1.3
182.52667	0.2
205.92706	0.2
221.12138	0.3
224.06932	0.8
225.00810	1.1
226.00996	0.6
242.07965	3.1
279.23273	100.0
280.23599	5.6
504.30957	38.9
505.31186	3.2
578.27173	10.0
578.36371	0.5
579.27081	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04037	0.2
57.99228	0.2
59.01390	0.3
61.98830	100.0
80.96523	0.6
95.39391	0.2
98.19777	0.4
109.70707	0.3
117.03436	0.3
123.04489	0.3
125.02438	0.6
145.02992	0.7
162.65146	0.3
167.03552	0.3
195.35608	0.2
209.11795	0.5
210.12103	0.4
210.66670	0.3
224.20451	0.2
249.09642	0.3
277.21786	0.9
279.23254	0.3
280.23651	0.4
281.24026	0.5
282.24158	0.3
447.05914	0.2
528.88019	0.2
579.28729	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
61.98832	100.0
69.23967	0.7
69.24377	0.2
71.01393	0.1
72.36552	0.1
78.95962	0.1
106.33312	0.1
136.82278	0.1
158.87866	0.1
515.13965	0.1
518.28943	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.2
61.98832	100.0
62.98520	0.1
63.99274	0.1
69.24013	1.2
70.59710	0.1
74.71177	0.1
78.95930	0.2
129.11679	0.1
154.68260	0.1
168.30612	0.1
181.40675	0.1
185.11009	0.1
185.39227	0.2
215.84674	0.1
236.13969	0.2
441.83127	0.2
578.28113	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
59.01377	0.6
60.20268	0.4
61.98832	30.7
63.96233	1.0
69.82764	1.7
69.83177	0.8
71.01384	8.5
73.02950	1.3
78.95890	0.9
78.98589	5.4
79.95735	11.2
80.96518	68.1
81.03462	0.8
82.09367	0.4
85.02955	2.1
87.00884	2.9
94.98087	14.2
96.96017	1.0
97.02954	1.8
98.20592	0.5
99.00848	0.6
101.02453	2.8
106.98088	3.3
113.02444	0.5
122.97591	3.6
125.02461	2.7
127.03987	0.9
134.97588	5.1
136.99127	1.5
148.99138	5.0
152.98634	5.8
158.07413	0.5
164.98634	11.4
194.66634	0.5
206.99667	2.3
209.11697	0.6
219.40254	0.5
225.00749	13.5
227.04536	0.4
277.21790	1.7
299.04395	2.9
317.05646	0.5
340.85754	0.6
577.26880	100.0
578.27295	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	577.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77344	0.3
59.01370	0.8
61.98829	29.7
63.96237	1.1
69.03431	0.4
69.36371	0.4
70.99854	0.7
71.01382	7.6
73.02950	1.8
78.98588	4.9
79.95735	8.6
80.96514	61.6
81.03453	0.5
85.02953	2.0
87.00888	2.7
89.38039	0.4
90.21718	0.3
94.98081	14.4
96.95969	1.0
97.02951	1.6
99.00872	0.9
101.02425	2.5
106.98093	3.2
113.02457	0.4
122.97588	4.7
125.02431	2.4
127.03947	0.6
134.97574	4.0
136.99127	1.2
138.32457	0.4
145.49031	0.4
148.99147	5.2
152.98628	6.3
162.97063	0.5
164.98619	9.4
167.00258	0.4
182.99692	2.4
188.98653	0.4
206.99686	3.5
225.00720	17.2
243.01764	1.4
258.76169	0.4
277.21667	2.2
290.19827	0.4
299.04446	2.6
380.28708	0.8
577.26831	100.0
578.27191	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07689	1.1
54.13036	1.1
55.01876	9.7
57.03208	1.3
57.03451	19.4
57.29953	1.1
58.00594	1.9
59.01378	91.3
60.01699	1.1
60.99276	1.0
69.03434	1.1
71.01015	1.9
71.01383	27.9
71.53174	1.0
71.53595	1.4
72.99298	5.0
73.02950	2.4
74.34252	1.1
75.00874	33.1
83.01391	5.7
83.05003	2.2
85.02966	12.1
87.00855	5.3
89.01942	1.5
89.02444	22.8
93.03445	4.7
95.01355	1.5
96.96028	1.8
97.06569	3.1
99.00873	6.1
99.04503	3.2
101.02438	18.1
107.05035	5.5
109.13675	1.0
111.00892	2.0
111.04504	1.9
113.02453	12.6
117.01893	1.6
117.03425	1.5
119.03527	7.2
119.05025	9.6
119.60432	1.2
120.99673	9.0
125.02390	1.7
126.26540	1.1
127.00323	3.5
129.01950	9.9
131.03455	1.7
135.04491	1.7
137.02419	4.3
139.00359	2.2
143.03470	1.6
145.01392	2.7
145.10249	1.3
147.02980	7.9
149.04457	1.7
157.01402	1.3
159.03041	1.4
161.04573	1.3
161.09676	5.0
161.13376	8.7
163.03978	5.9
163.11217	1.8
165.04033	39.4
175.02460	4.0
179.05617	3.2
187.11276	8.7
189.09225	1.4
203.10841	1.3
205.12321	18.6
206.12631	1.9
207.10297	6.4
223.13377	37.7
224.13605	2.3
227.82600	1.2
249.11325	19.1
250.11526	1.6
251.12839	4.1
267.12372	52.0
268.12689	2.4
269.04556	24.0
269.13696	1.2
270.04800	1.8
307.06583	1.5
324.47702	1.4
379.13782	1.6
397.14664	15.6
397.18402	1.8
398.14740	1.4
415.16107	21.0
416.16193	1.6
429.17630	32.6
430.17422	2.1
431.18597	4.3
431.22919	4.5
439.12357	1.2
445.20285	1.3
472.43362	1.3
541.01013	1.2
559.19769	3.1
577.21307	100.0
577.66675	1.2
578.21826	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	577.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	10.0
57.03442	3.1
58.00610	1.3
59.01381	58.3
69.35262	4.4
69.35686	3.1
71.01382	21.0
72.99316	1.8
73.02943	2.4
75.00875	56.1
83.01396	2.7
83.05031	1.2
85.02953	8.6
87.00877	3.3
89.02443	20.3
93.03471	1.2
95.01370	2.7
97.06573	1.0
97.52083	0.9
97.93983	1.0
98.19792	1.3
99.00890	3.7
99.04533	2.0
101.02452	10.7
103.16416	1.0
107.05028	2.2
113.02451	10.6
119.03498	7.2
125.02413	2.2
129.01935	13.7
131.03493	1.5
143.03456	1.3
145.10161	1.0
147.03001	5.8
149.04564	6.7
152.90836	0.9
155.95906	1.1
161.04562	3.7
161.09721	2.2
161.13367	5.8
163.03902	1.1
163.11226	1.2
163.37468	1.0
165.04047	100.0
166.04547	0.9
173.13358	1.8
179.05626	5.6
187.11319	3.5
191.05658	3.4
205.12358	10.5
207.10327	2.4
223.13390	16.9
249.11258	6.5
267.12366	19.0
385.18597	1.6
397.14648	9.7
397.19534	1.5
415.16101	19.6
416.16055	1.3
429.17554	10.8
577.21484	78.9
578.21631	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	577.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14707	0.9
55.01881	8.8
57.03434	3.5
58.00580	2.0
59.01380	54.4
61.98850	4.5
70.90600	1.9
70.90929	1.0
71.01019	1.8
71.01384	30.5
72.25861	0.9
72.99289	4.2
73.02950	2.1
75.00874	41.1
78.28770	1.1
79.26377	0.9
80.61274	1.0
83.01357	3.0
85.02950	10.5
85.17653	0.9
85.69353	1.1
87.00882	2.6
89.02448	36.2
93.03430	3.4
95.01391	2.7
96.95995	3.0
99.04531	4.9
101.02451	19.0
111.04494	3.8
113.02447	12.3
115.92028	0.9
116.92857	1.1
117.01951	1.2
119.03490	12.2
125.02402	1.6
129.01936	8.7
131.03409	1.3
137.02296	1.5
143.03439	1.9
147.03027	5.1
149.04526	1.7
153.01950	1.1
155.03448	1.7
161.04500	3.7
161.13362	10.6
163.03923	1.1
165.04041	65.2
167.14400	5.3
173.04527	3.9
174.82285	0.9
175.02472	1.0
179.05643	5.8
187.11200	3.8
191.05585	1.3
205.12328	26.2
211.13411	7.0
221.06625	1.1
229.12337	1.6
229.14418	15.1
249.11296	26.2
269.04465	3.2
269.13751	2.1
321.11804	1.1
325.11450	1.0
355.07050	1.3
371.06952	1.2
379.13718	1.2
385.18817	2.1
397.14963	4.2
401.07675	1.1
403.19543	3.6
429.11768	1.5
429.17648	30.8
430.17627	2.2
431.18982	1.9
445.20819	1.1
571.59662	1.2
577.21326	100.0
578.21747	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	577.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	69.1
59.01378	46.7
61.98836	2.2
67.01891	2.1
69.76563	7.8
71.01383	21.8
71.05014	1.6
72.99311	3.2
73.02941	1.5
75.00853	2.1
79.95709	1.8
81.03466	2.3
83.01382	13.1
85.02919	7.2
87.00883	5.0
88.51263	1.6
89.02442	28.1
91.90372	1.6
92.92745	1.5
93.03458	3.9
95.01427	1.6
96.96011	44.6
97.02935	3.0
98.19958	2.6
99.00882	2.0
99.04514	4.6
101.02421	14.5
103.00370	40.1
108.68087	1.3
109.02961	12.8
111.00883	38.1
113.02456	8.6
118.98063	1.4
119.03513	14.4
121.03003	3.4
123.04524	13.8
125.02449	100.0
126.02759	2.3
129.01947	19.7
133.02954	2.8
135.04524	2.3
135.11754	1.7
135.94077	1.4
137.02443	21.1
139.03943	2.2
143.03470	2.5
149.02415	3.8
151.04015	9.7
154.99896	1.6
159.04437	1.5
159.11786	4.0
161.02432	18.8
161.04570	3.0
161.06044	3.5
161.09732	6.0
163.00351	1.9
163.03979	2.5
164.01172	2.8
164.26602	1.4
165.01910	4.4
165.03976	4.5
173.78444	1.3
174.03207	1.3
175.04012	6.3
177.01952	3.7
177.12961	1.4
179.03488	3.6
179.05606	15.0
179.10744	22.0
181.08682	2.6
187.03967	5.5
191.05620	3.5
197.11888	3.6
203.07137	8.3
204.53714	1.6
205.01416	2.3
205.05045	4.7
209.96449	1.4
217.05154	1.3
221.11801	2.8
223.07603	2.2
223.09752	45.0
227.07237	1.9
229.04868	2.1
241.10794	10.3
243.02968	1.6
245.04556	3.5
245.08217	9.4
255.03021	4.5
265.10831	3.5
266.84433	1.4
271.06314	1.4
273.03995	4.1
281.04761	1.5
283.11737	2.4
285.04214	2.6
287.05591	8.8
289.07187	48.8
290.07452	2.0
299.05600	3.4
327.10706	6.1
339.08804	3.2
381.09561	2.6
403.10898	2.5
403.16086	46.9
404.16370	3.0
407.07675	34.1
408.08051	2.4
425.08926	17.0
426.08966	2.3
431.18835	2.1
451.10309	9.2
489.16183	54.4
490.16513	4.1
577.20435	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	577.1559
Annotation	Swertisin 2''-O-arabinoside
Peak:m/z	Relative Intensity
55.01876	2.7
57.03430	3.0
59.01382	25.5
69.39526	2.8
69.39953	3.6
70.31207	0.8
70.74512	0.7
71.01387	14.7
72.99285	1.4
73.02945	0.8
75.00874	16.1
83.01390	1.7
85.02957	5.7
87.00891	1.3
89.02452	15.9
93.03458	3.8
96.96026	1.8
99.04496	2.7
101.02462	10.2
102.98582	2.4
111.91440	0.8
113.02444	4.9
117.03453	4.4
119.03499	6.9
119.05000	1.6
125.02437	2.3
126.18203	0.9
129.01985	4.5
129.88124	0.9
135.04518	2.1
137.02444	1.1
143.03517	1.2
145.02898	0.9
147.02985	2.4
149.02461	0.8
149.04457	1.0
161.02403	1.7
161.04544	1.1
161.13351	8.0
163.03986	3.1
165.04045	24.4
175.04002	1.9
177.01877	1.3
177.05537	1.6
178.99789	1.0
179.05598	4.7
187.11229	1.3
191.03514	1.9
191.05548	1.5
205.12320	15.2
223.13159	1.1
242.42102	1.0
249.11316	14.9
250.11771	0.9
256.18768	0.9
267.06760	0.8
267.12424	1.4
269.04816	0.8
282.05420	2.0
283.06042	3.6
283.10864	1.6
285.40405	1.1
295.06113	4.7
296.06915	2.2
297.07663	20.1
307.05984	2.6
309.07736	2.3
311.05743	4.0
323.05560	3.2
325.07169	8.6
328.05914	2.5
335.05609	1.4
337.07208	3.0
353.06656	36.9
354.07025	1.4
355.08234	1.8
356.05698	1.0
365.06854	4.3
365.10947	0.8
383.07675	20.3
385.18655	1.2
395.07632	2.7
397.09735	1.1
397.14728	2.2
407.07639	1.1
413.08780	2.2
415.16544	1.1
429.17545	22.1
430.17999	1.3
451.09332	0.9
457.11337	13.1
469.11578	1.5
487.12646	6.2
487.63144	0.9
544.74396	0.8
545.13983	1.3
577.14636	100.0
578.15186	8.7
578.23859	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1354
Annotation	ent-Epicatechin-(4alpha->8)-catechin
Peak:m/z	Relative Intensity
57.03448	30.6
59.01381	16.6
67.01898	0.8
69.03446	1.2
69.67916	1.3
69.68325	2.7
71.01391	4.3
73.02943	1.0
81.03458	1.5
83.01386	7.6
85.02956	1.9
87.00881	2.1
89.02428	4.3
93.03452	1.9
95.01327	0.8
95.05045	2.1
96.96008	1.3
97.02938	3.2
99.04544	1.6
101.02452	2.4
103.00377	13.1
107.05041	1.1
108.02171	1.1
109.02954	16.6
111.00883	18.3
112.01292	0.7
113.02471	1.7
119.03533	2.2
121.02957	3.3
122.03733	1.4
123.04537	12.6
124.04797	1.0
125.02447	100.0
126.02768	2.3
127.00481	0.8
129.01949	4.3
133.02979	2.7
135.04530	1.5
137.02451	18.2
137.09691	1.0
139.04044	2.2
145.03000	0.7
146.03709	1.7
149.02458	3.6
150.03200	1.0
151.04001	9.6
159.04506	2.4
159.11812	0.7
161.02434	22.1
161.04652	1.2
161.06015	4.9
161.09764	1.1
162.03036	0.7
163.00397	1.5
163.04041	1.4
163.07614	1.0
164.01158	4.5
165.01913	4.8
165.04140	0.6
166.52121	0.7
167.03477	2.3
168.03883	0.7
168.32828	0.7
168.83138	0.6
173.00909	1.0
173.06036	0.8
175.04005	6.0
175.07619	1.6
176.04359	0.6
177.01926	4.4
177.05470	0.7
179.03554	3.5
179.05634	2.2
179.10741	4.2
181.08685	3.4
187.04025	5.9
188.04771	2.5
189.05659	1.1
191.05490	0.7
197.11826	5.1
199.07701	1.1
201.05667	1.9
202.06326	1.1
203.03648	0.8
203.07138	8.0
205.01453	1.6
205.05069	6.2
209.04558	2.0
213.05580	0.8
215.03525	1.8
217.05038	1.7
221.08257	1.2
223.09756	7.0
227.07066	0.8
229.05032	2.1
231.03067	1.6
237.01950	0.8
239.05617	1.7
240.06000	0.9
241.10818	17.6
243.06604	0.9
244.03767	0.7
245.04489	3.2
245.08189	9.2
255.02928	4.9
256.03809	2.3
256.37775	0.7
257.04620	1.5
265.10846	0.9
269.04538	1.1
271.06320	0.7
273.04065	3.2
281.04538	2.1
283.02454	0.9
283.11859	2.3
285.04132	1.6
287.05640	7.9
289.07184	54.2
290.07495	2.6
299.05569	4.1
327.10803	8.0
328.11014	0.7
339.08694	2.5
366.12851	0.7
381.09955	1.7
403.11435	1.1
403.16049	7.4
407.07715	38.2
408.08051	2.1
415.12457	1.4
425.08719	17.5
431.19144	1.3
445.11722	1.0
451.10239	10.9
452.10736	1.2
489.16180	11.9
559.12646	1.3
576.20801	0.9
577.13849	5.3
577.21100	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	577.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03165	0.9
57.03450	14.8
67.01899	1.0
69.73524	3.9
80.35490	0.8
81.03452	1.5
83.01395	6.1
93.03455	1.4
95.05006	2.0
97.02933	4.5
105.03519	1.0
107.05058	1.5
109.02951	22.0
113.49110	0.8
121.02965	4.6
122.03716	1.8
123.04524	14.5
125.02447	100.0
126.02754	1.6
131.05045	1.5
133.02950	3.3
135.04503	2.7
137.02443	20.5
139.03989	2.7
143.04932	1.0
145.02957	1.7
147.04544	1.1
149.02449	5.5
149.06123	1.1
150.03152	1.6
151.04005	12.5
159.04568	4.1
160.05304	1.2
161.02443	31.2
161.06050	4.6
162.03127	2.3
163.00407	2.1
163.04028	3.6
164.01215	5.6
165.01901	5.8
167.03499	1.9
173.05966	1.0
175.03995	11.1
175.07639	1.6
177.01962	5.6
177.05597	0.9
179.03572	3.9
185.06055	1.4
187.04034	7.4
188.04753	3.6
189.05608	1.5
193.05080	1.1
199.04092	1.1
201.05563	2.5
202.06352	1.6
203.03395	2.1
203.07147	10.6
205.01338	1.9
205.05089	6.8
211.04050	1.6
212.04741	1.1
213.05626	1.7
215.03580	1.0
217.04988	2.5
221.08093	2.0
222.17795	0.7
225.05554	1.3
227.03503	2.1
227.07042	1.2
228.04234	1.7
229.04977	2.8
230.05907	1.1
231.03049	1.3
241.04939	1.2
243.02901	2.3
243.06723	1.5
245.04678	6.4
245.08144	11.7
247.06070	1.7
255.02986	9.6
256.03760	5.8
257.04562	2.4
269.04584	2.4
271.06122	1.5
273.04102	5.3
281.01730	1.0
281.04480	4.4
282.01776	1.1
283.02310	1.5
285.04123	2.1
287.05576	9.6
289.07175	70.3
290.07492	3.0
299.05603	7.9
329.06555	2.2
331.08109	1.1
339.08780	4.9
363.08856	0.9
381.09711	2.2
393.09259	1.0
407.07690	68.4
408.08109	4.5
425.08807	27.4
425.14557	1.4
426.09225	2.7
439.10263	1.2
451.10394	17.1
559.12781	1.7
567.63525	0.8
577.13483	11.6
578.13617	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	577.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	15.2
58.77833	1.0
69.41821	7.5
81.03484	1.9
81.36356	0.9
83.01398	5.7
86.49588	0.9
93.03455	2.3
95.01434	0.9
95.05028	1.7
97.02944	3.7
107.05026	1.2
108.02196	1.5
109.02951	21.7
110.95008	1.1
112.73064	1.0
121.02956	4.1
122.03725	1.9
123.04536	17.0
125.02450	100.0
126.02751	2.4
130.94153	0.9
131.05014	1.8
133.02969	5.0
135.04489	1.6
136.69679	1.1
137.02452	20.8
139.03984	3.6
145.02956	1.9
146.03793	1.5
147.04518	1.7
149.02460	5.1
150.03229	2.2
151.04019	13.9
157.06445	1.1
159.04549	3.1
160.05214	1.1
161.02444	28.7
161.06058	5.1
162.03151	2.8
163.00368	2.0
163.04019	3.2
164.01170	6.9
165.01950	5.5
167.03445	1.6
175.04001	9.0
175.07603	1.2
177.01926	7.6
177.05539	2.1
179.03447	5.2
187.04018	7.4
188.04781	4.1
201.05496	2.5
203.07193	10.5
205.01392	2.2
205.05042	7.2
211.04048	1.9
212.04921	1.2
213.05542	1.7
215.03374	1.2
217.05005	2.8
221.08122	2.3
223.58516	1.1
227.03508	1.4
227.07066	2.7
229.05067	3.4
231.02974	2.1
243.02847	2.6
245.04506	6.9
245.08212	14.3
247.06024	1.4
255.02983	7.6
256.03766	4.2
257.04596	2.7
269.04495	1.8
271.05951	1.1
273.04007	3.4
281.04504	5.0
281.21805	1.0
283.02420	2.2
285.04108	2.9
287.05597	9.2
289.07184	66.4
290.07520	3.1
291.98666	1.1
297.03873	2.2
297.07190	1.1
299.05603	7.0
329.06516	1.9
339.08734	4.8
381.09689	2.9
407.07693	58.0
408.07968	3.8
425.08755	23.5
426.09198	1.7
451.10312	14.5
559.12439	2.2
577.13684	11.5
600.99945	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.5
59.01380	2.2
61.98817	1.2
63.02397	7.2
65.00325	4.3
69.03457	0.7
71.01381	2.0
71.52744	0.4
71.53149	0.8
73.02956	0.8
73.21530	0.3
81.03456	0.9
83.01384	5.9
85.02950	1.4
87.00874	0.6
89.02440	1.7
93.03452	0.5
94.68639	0.4
95.01427	0.5
95.05044	0.4
97.02937	0.4
99.04581	0.5
101.02449	1.1
107.01397	11.7
111.04534	0.5
113.02446	3.0
119.05114	0.3
120.62357	0.3
123.04548	0.4
125.02445	9.7
135.04524	0.3
137.02431	4.4
151.00371	37.1
151.03964	0.8
152.00739	0.9
153.01880	0.8
159.04533	0.5
161.04533	0.6
163.00381	0.9
164.01135	1.0
165.01889	1.1
167.03493	1.7
169.01439	4.3
173.04671	0.5
173.06065	1.6
175.02486	0.5
177.01955	0.9
178.99860	100.0
180.00211	2.1
181.01401	1.3
185.06068	0.9
187.03981	0.5
188.04752	0.8
189.05537	1.5
195.04651	0.4
197.02446	0.8
198.03209	0.4
198.28929	0.4
199.04024	0.4
201.05576	6.7
202.06073	0.4
211.04065	0.7
212.04756	0.5
213.05569	3.5
214.02798	0.7
215.03468	2.7
217.05090	0.8
221.15450	1.1
225.05637	0.4
227.03462	0.8
229.05011	7.0
230.05713	0.5
231.06598	1.3
239.03563	0.8
240.04210	0.5
241.05070	11.3
241.08778	0.6
242.02222	0.6
242.05200	0.4
243.02914	0.7
244.03865	0.5
251.03111	0.4
253.05083	0.7
255.02887	0.6
257.04544	3.1
259.06122	2.5
267.03033	1.3
267.06650	0.4
269.04559	0.8
281.07996	0.5
283.02548	0.5
285.04083	1.0
295.02518	3.7
313.03528	0.9
323.88864	0.4
331.17615	1.4
335.05624	0.7
347.05789	0.4
363.05255	0.4
375.05270	0.8
377.06531	0.5
379.08347	0.6
385.03641	0.8
395.07782	1.2
397.09232	3.3
403.04367	0.9
421.05353	0.5
423.07330	0.5
433.05722	0.8
439.06592	1.4
445.20551	0.7
451.06686	2.8
517.46399	0.5
549.10687	0.5
559.08801	2.5
577.09766	9.1
577.23584	2.6
578.10101	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.2
60.01692	0.2
61.70228	0.2
61.98831	1.0
63.83364	0.2
68.55769	0.2
71.01375	0.3
78.95903	7.0
83.04993	0.2
98.20651	0.5
102.26044	0.2
127.07650	0.2
152.99574	1.5
153.49040	0.2
165.56050	0.2
166.45570	0.2
168.04320	1.7
171.00522	0.2
171.42143	0.2
224.06836	1.2
233.22774	0.5
242.08006	3.3
255.82941	0.2
259.20746	0.4
275.20175	0.5
277.21713	100.0
278.22067	5.2
281.19257	0.2
302.59705	0.2
431.22101	0.3
502.29416	43.2
503.29794	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	576.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	29.8
61.98839	2.7
64.59087	0.6
78.95906	28.9
91.26106	0.7
96.75835	0.5
98.20683	1.0
117.00584	0.6
132.34550	0.6
152.99597	4.0
162.86182	0.6
168.04320	5.2
224.06926	12.1
242.07909	2.7
275.20197	0.9
277.21719	100.0
278.22052	5.3
386.94885	0.6
444.36533	0.8
502.29401	86.1
503.29755	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	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.79052	0.1
61.98830	100.0
62.98530	0.2
64.10552	0.1
71.01395	0.2
71.40456	0.1
78.95919	0.3
79.80790	0.1
79.95735	0.1
80.96514	1.3
84.00830	0.1
94.98095	0.3
101.02454	0.1
119.48963	0.1
122.97639	0.1
125.02448	0.1
148.99178	0.1
152.98625	0.2
164.98711	0.2
209.11754	0.1
225.00755	0.3
277.21866	0.3
278.22052	0.6
279.22495	0.3
280.22717	0.3
299.04416	0.1
315.52136	0.1
514.94904	0.1
576.20367	0.2
577.26874	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	576.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.2
61.98829	100.0
62.98523	0.1
63.73090	0.1
64.38528	0.1
69.29806	0.8
69.30222	0.2
69.56400	0.1
73.02948	0.1
76.75981	0.1
79.59792	0.1
79.95732	0.2
80.96510	1.1
94.98105	0.3
98.76909	0.1
118.71663	0.1
150.40796	0.1
152.98639	0.1
164.98599	0.2
175.74600	0.1
225.00793	0.3
277.21738	0.5
278.22260	0.6
279.22379	0.2
280.22720	0.2
325.97910	0.1
389.54562	0.1
412.22241	0.1
428.73566	0.1
489.93909	0.1
577.26788	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	576.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.3
59.01376	1.3
61.98832	100.0
71.01374	0.8
71.53777	0.3
78.95908	1.4
84.16333	0.2
85.02959	0.7
86.34615	0.2
88.98808	0.6
93.03448	0.2
96.96026	0.3
113.02435	1.5
116.92888	0.2
125.02436	0.5
126.52369	0.2
129.01929	0.2
152.99631	0.9
161.04611	0.2
171.10283	0.4
173.04543	0.6
209.11823	0.3
211.13434	0.6
341.23636	0.6
355.24954	1.8
399.24139	1.0
451.56332	0.3
576.26843	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
59.01380	15.8
61.98826	1.1
69.19298	0.7
69.19632	4.1
71.01379	2.7
73.02945	0.8
85.02982	0.6
87.00875	0.5
89.02444	2.4
90.75711	0.5
101.02452	3.3
113.02439	1.4
114.34956	0.4
119.03492	0.6
125.02451	0.4
161.04510	0.8
190.25511	0.4
235.08220	1.8
253.09305	12.8
253.11877	0.9
254.09660	0.6
279.23285	100.0
280.23608	6.0
316.57504	0.4
348.29932	0.4
387.35333	0.4
554.61682	0.5
559.19110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30653	0.1
54.99018	0.1
59.01371	0.5
61.98829	100.0
62.98533	0.2
69.32998	0.8
71.01403	0.1
78.95896	0.2
88.98853	0.1
89.02452	0.2
96.66930	0.1
98.20679	0.2
98.70489	0.1
105.04586	0.1
117.19005	0.1
143.02388	0.1
149.04494	0.1
152.99614	0.2
169.49051	0.1
173.04587	0.2
193.56410	0.1
219.86827	0.1
247.89798	0.1
275.16824	0.1
279.99332	0.1
401.98804	0.1
485.71909	0.1
516.28168	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	575.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82119	0.5
56.92638	0.6
59.01115	0.7
59.01384	11.1
61.98823	2.5
71.01384	2.3
71.51549	1.0
73.02957	0.9
85.02940	0.6
89.02446	2.8
101.02444	2.1
101.77278	0.6
113.02414	0.9
119.03470	1.1
151.18730	0.5
160.72899	0.6
161.04512	0.7
209.11847	2.4
232.12859	0.5
235.08179	1.7
242.66295	0.6
243.94354	0.6
253.09254	12.7
279.23282	100.0
280.23608	5.7
291.19687	2.1
340.97992	0.8
546.74976	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03437	0.9
58.24588	1.1
59.01380	14.0
60.10272	0.9
61.98828	58.8
69.20042	8.5
71.01381	22.1
73.02949	9.8
78.95903	100.0
80.02663	1.5
81.03439	1.4
83.01392	2.6
83.05032	5.2
84.02175	1.2
85.02953	11.2
87.00867	2.1
87.60708	1.0
89.02444	6.8
95.01398	2.5
95.05043	1.3
96.96962	10.7
97.02993	1.2
99.00896	3.2
101.02448	15.8
113.02444	10.2
116.92940	1.0
119.03513	1.2
125.02447	2.4
131.03516	1.1
134.98447	1.1
152.99583	62.7
159.02991	1.0
161.04568	7.3
163.11284	4.0
165.12819	3.2
171.00601	1.8
183.13869	4.2
185.29024	1.0
209.11815	69.6
210.12285	2.0
211.13385	46.8
227.12915	11.2
347.12634	12.5
355.03467	1.0
363.12143	38.9
364.12363	2.3
365.13669	4.3
381.13300	10.1
383.24313	5.0
515.28577	77.1
516.28876	4.4
575.26245	56.7
576.26624	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	575.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09768	0.5
57.03445	0.9
59.01380	6.8
61.98829	20.5
71.01377	7.0
71.52655	0.6
73.02940	2.8
78.95902	100.0
80.02697	1.0
83.01384	0.8
83.05053	2.8
85.02951	4.1
89.02422	3.0
96.96960	8.4
99.00877	1.5
101.02444	5.3
113.02459	3.6
116.92905	1.4
125.02413	0.8
125.05996	0.6
134.98576	0.9
150.73123	0.6
150.98018	1.0
152.28752	0.6
152.99580	64.9
159.02956	0.7
161.04552	1.8
163.11278	2.5
165.12854	1.6
167.14417	0.8
171.00642	0.8
183.13882	8.4
193.12297	2.0
209.11818	37.3
210.12115	1.1
211.13382	84.8
212.13655	3.4
227.12859	7.6
230.03001	0.6
233.95435	0.6
285.04047	0.9
347.12610	30.1
348.13217	1.4
363.12140	15.9
365.13681	14.2
366.14069	0.9
381.12994	2.8
383.24438	1.3
507.29648	0.8
515.28394	18.6
516.29022	0.8
575.26227	59.6
575.32739	2.7
576.26526	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	575.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.1
59.01378	24.6
60.99294	2.3
61.98818	1.8
67.01892	6.0
68.57710	0.5
69.03447	3.6
71.01381	5.5
71.53477	0.8
73.02935	1.7
81.03449	1.4
83.01389	1.1
83.05009	0.6
85.02952	12.1
86.94823	0.5
87.00875	10.1
89.02457	3.3
93.03458	44.1
94.03802	1.1
96.95381	0.9
96.96011	17.5
97.06589	0.6
99.00859	2.8
99.04506	1.9
101.02442	1.1
103.00368	2.4
109.02921	1.5
111.00852	2.6
111.04516	6.5
112.89412	0.5
113.02469	1.9
114.29123	0.5
115.03964	0.6
116.92874	0.7
125.02438	8.0
127.00403	0.8
127.04016	2.4
129.01949	3.1
131.03468	1.4
137.02426	2.1
143.03429	0.7
149.04559	6.3
151.00320	0.9
154.99901	1.1
155.03500	2.3
161.02400	2.6
163.04012	0.6
165.05588	0.6
165.12843	2.4
171.03064	0.8
173.04536	19.4
174.04950	0.6
175.02457	0.6
175.28026	0.5
175.78239	0.6
185.00948	0.8
189.12866	0.6
191.05605	100.0
192.05994	2.3
207.13881	5.0
207.15762	0.8
209.11819	3.8
223.13564	0.6
225.15001	1.5
226.44318	0.5
227.12819	3.6
251.12865	3.2
255.02838	0.6
269.04495	1.7
269.13910	18.0
270.14420	0.9
285.04074	4.3
287.05807	0.9
287.14999	11.0
290.32059	0.5
293.13675	1.2
305.06900	0.9
305.11859	0.5
311.14948	2.3
369.85284	0.5
399.10703	0.6
401.18140	9.7
402.18243	0.8
425.18146	2.4
427.33139	0.6
443.19189	57.7
444.19443	3.6
472.91299	0.5
487.18448	1.6
515.28711	0.8
575.23438	54.6
576.23743	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	575.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
55.81059	0.8
57.03455	11.0
59.01381	32.4
60.99296	3.3
61.98820	2.9
67.01632	0.7
67.01897	8.3
67.52771	0.7
69.03449	3.8
71.01391	6.1
71.53640	0.9
72.99296	1.6
73.02935	2.3
81.03477	1.9
83.01395	2.0
83.05043	1.6
84.16426	0.9
85.02960	11.9
87.00880	11.2
89.02438	4.8
93.03460	53.4
96.96016	17.8
97.02896	0.9
99.00869	3.2
99.04505	2.5
101.02457	2.0
103.00371	2.3
109.02953	1.4
111.00881	6.7
111.04527	9.9
113.02425	3.8
116.92892	1.2
119.05067	1.2
125.02477	5.9
127.04004	2.8
129.01965	4.5
131.03482	2.3
137.02383	1.5
149.04568	7.4
151.00378	1.0
155.03516	3.0
163.04002	1.2
163.11237	0.9
165.12813	3.3
173.00867	1.4
173.03134	1.6
173.04544	23.3
173.06059	1.3
185.00839	1.8
189.12790	1.1
191.05608	100.0
192.05943	2.3
193.07204	0.9
199.45296	0.9
207.13881	7.8
209.11832	6.1
223.13139	1.4
225.15056	1.8
227.12921	1.4
233.06609	1.2
233.11868	0.9
251.12840	4.1
269.04504	1.4
269.13928	30.8
270.14386	1.6
285.04047	5.3
287.14951	4.5
293.14023	2.8
311.15167	3.9
381.09787	3.6
389.25406	1.0
401.18140	17.4
425.18167	2.8
443.19202	67.9
444.19580	4.6
487.18439	4.6
515.28503	0.8
557.13440	1.1
575.23438	67.1
576.23621	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	575.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.0
59.01377	6.7
61.98818	1.2
66.29713	0.6
67.01884	0.7
71.01379	3.4
71.53827	1.1
72.99315	1.3
73.02956	0.9
79.01884	0.9
83.01389	1.3
85.02953	2.6
87.00872	1.6
89.02430	1.6
93.03445	6.7
96.96012	9.0
98.95582	5.7
98.96423	1.3
99.00882	0.8
99.92585	7.7
100.93345	1.6
101.02407	1.7
111.04520	0.9
113.02454	1.9
115.92082	10.3
116.92860	18.2
117.03448	5.3
117.92854	1.0
118.98071	1.0
119.05009	1.2
127.00344	1.8
135.04497	2.5
142.94434	1.4
145.01413	0.9
149.02423	0.8
149.04498	0.6
151.03999	0.7
159.04497	0.8
161.02415	2.4
161.13333	0.7
163.02589	0.9
163.04018	1.8
165.01888	1.2
170.50352	0.6
170.93837	0.7
173.04535	2.4
173.06020	0.7
175.02544	0.9
175.03949	1.5
177.01945	2.3
177.05571	1.3
179.03499	1.3
184.95461	1.1
186.93385	0.9
187.04128	0.9
189.01981	1.4
191.03630	1.1
191.05586	6.6
192.05942	2.2
193.06021	1.6
197.06111	0.7
201.01891	0.7
203.03508	1.6
204.04199	0.9
205.01492	0.8
205.12320	1.1
207.02959	3.2
223.13400	1.7
233.04399	0.6
237.03955	1.3
239.07129	1.1
249.04004	1.3
249.11255	1.1
251.07202	1.2
256.94034	1.5
267.06467	1.3
267.12329	1.7
268.07440	1.4
269.04599	1.4
269.13907	0.9
274.94958	0.9
278.05704	0.7
281.04529	1.4
282.05267	3.0
283.06113	12.3
284.03363	1.0
293.04660	1.3
293.07925	0.6
295.06070	7.9
296.06732	1.9
297.07635	17.4
307.06012	2.1
308.03180	0.9
309.04056	1.2
309.07602	2.5
310.04846	0.7
311.05652	10.0
312.05551	0.7
314.04196	0.7
321.04047	1.0
322.04785	0.9
323.05533	8.4
324.06421	0.9
325.07172	7.5
328.05862	1.8
335.05518	2.3
337.07138	2.5
339.05002	3.2
340.05612	1.0
341.06686	3.3
351.05133	6.5
352.05484	0.7
353.06625	31.2
354.06995	2.2
355.08124	1.4
365.06769	2.9
369.06067	17.5
370.06415	1.5
381.05997	4.0
383.07700	13.2
384.07910	1.1
395.07693	1.2
399.07159	9.6
400.07468	1.1
411.07327	1.0
413.08926	0.7
429.17447	2.9
431.09778	1.7
442.17920	1.6
443.18976	5.5
455.09772	4.2
471.09259	2.1
473.10806	14.6
474.11356	0.7
485.10931	1.1
487.08606	2.6
488.09470	0.8
489.10342	22.2
489.17572	1.1
490.10736	1.2
557.12610	1.1
575.13965	100.0
575.21490	5.3
576.14264	7.8
598.18903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	4.8
61.98807	1.4
64.23465	1.2
68.37346	1.0
69.46495	8.3
71.01382	1.7
84.95679	1.1
85.02938	1.7
87.00877	50.3
91.05533	29.4
93.03433	1.4
96.96013	2.0
113.07933	1.1
117.07056	1.7
123.04513	1.7
125.02412	2.2
135.03030	1.1
135.04489	3.5
145.06610	5.7
145.68878	1.3
147.04558	1.6
161.06082	1.3
163.04007	100.0
164.04288	3.5
173.04677	1.4
189.05565	3.7
206.08145	2.4
207.08582	1.3
207.10269	1.9
233.04497	5.0
251.05598	43.8
298.64456	1.3
300.79846	1.2
336.13901	1.2
492.14990	1.3
575.13885	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40227	0.3
57.03449	3.8
59.01379	5.7
68.43415	0.4
68.99805	0.9
71.01395	2.7
71.52930	0.8
72.99319	2.1
73.02956	0.6
74.95459	0.3
76.74422	0.4
79.95731	0.9
83.01392	0.9
85.02956	2.6
86.00123	0.5
87.00875	1.5
87.06546	0.4
89.02455	1.3
93.03470	2.8
96.96011	26.0
97.95950	0.5
98.95596	17.8
98.96414	3.1
99.00879	1.7
99.92584	37.6
100.90514	0.4
100.92650	0.8
100.93346	4.5
101.02441	1.7
108.02162	0.4
109.02899	0.5
111.00894	1.4
111.04516	0.7
113.02452	1.1
113.30318	0.4
115.92080	59.0
116.92860	100.0
117.92904	2.9
117.93612	0.7
118.98072	0.4
119.03539	0.7
120.48681	0.4
123.04597	0.4
125.02412	0.6
126.94921	0.6
127.00417	1.8
129.01917	1.2
129.71356	0.4
132.92429	0.6
141.93587	0.7
142.94423	5.8
145.01437	1.4
149.04572	0.8
158.93901	1.5
161.13358	1.0
163.02495	0.7
165.05551	0.6
166.94411	0.7
167.03416	0.4
169.93109	1.3
170.93904	4.3
173.04535	1.5
175.02530	0.8
177.01785	0.4
179.10776	0.6
182.93930	0.5
183.94637	0.5
184.95488	5.9
186.93443	3.1
191.05614	6.6
192.06003	1.6
193.05919	0.5
194.93903	1.3
198.93402	1.1
205.12320	1.6
207.10240	1.6
212.95016	3.1
223.13354	1.0
230.95993	2.8
235.71494	0.4
238.92751	0.4
249.11403	2.0
256.93951	10.8
257.94504	0.7
267.12433	0.9
269.14059	0.5
274.94989	9.0
275.95490	0.6
283.06100	0.5
284.03320	3.8
297.07565	0.9
299.05655	2.8
323.05872	0.6
353.06595	1.7
355.14008	0.9
367.96277	0.9
369.06070	0.5
382.98792	1.1
383.08029	0.7
396.96851	0.4
397.82388	0.4
398.98279	0.7
399.06775	0.5
399.16367	0.7
414.97659	0.5
429.17532	3.2
441.17441	0.5
442.17844	2.3
443.18756	1.9
473.10815	0.6
474.51752	0.4
489.10422	1.2
557.00427	1.3
574.22260	1.7
575.01355	14.6
575.13940	3.2
575.21631	4.2
576.01678	1.2
588.80914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
61.98831	100.0
62.98544	0.1
70.89832	0.3
71.01393	0.2
80.98640	0.1
88.98822	0.1
92.56010	0.1
101.02449	0.1
116.27493	0.1
118.15641	0.1
152.99649	0.1
209.11836	0.1
382.20029	0.1
410.01257	0.1
514.27667	0.1
515.28558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
61.98830	100.0
71.01403	0.6
71.22936	0.8
74.25155	0.4
78.95918	1.3
112.90401	0.4
152.99597	1.0
179.46638	0.4
482.38266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2918
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
51.77743	0.8
55.01850	1.0
58.00584	3.0
59.01379	55.8
61.98830	15.3
62.21538	0.9
71.01385	45.4
71.52953	1.0
72.99322	3.0
73.02946	13.4
75.00871	1.6
78.95896	2.9
83.01406	2.7
85.02954	9.6
87.00882	1.9
87.89887	0.9
87.90818	0.8
88.98770	1.0
89.02445	74.1
93.03469	0.9
95.01376	2.5
96.96075	1.0
97.02946	1.2
99.00885	23.8
101.02443	33.3
113.02461	12.5
113.10254	0.8
119.03503	9.3
125.02447	5.7
125.55659	0.9
131.03519	10.0
137.02464	1.2
139.85013	1.0
143.03471	1.6
149.04556	42.3
152.99544	2.1
161.02443	1.2
161.04518	4.7
175.68944	0.9
179.05647	2.4
191.05586	10.9
198.76807	0.9
198.92236	0.9
209.11887	1.1
211.13455	0.9
221.06598	2.7
251.07693	3.3
311.09738	1.5
381.22708	3.0
502.40234	0.9
513.27020	100.0
514.27472	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	573.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74774	0.3
55.94661	0.3
57.03451	3.9
59.01382	11.6
60.99282	1.0
61.98827	0.6
67.01898	2.2
69.03458	0.7
71.01386	3.3
72.61079	0.3
72.99301	0.6
73.02938	0.9
81.03451	1.0
83.01385	0.9
83.05022	1.0
85.02953	14.8
87.00883	4.4
88.98795	0.9
89.02428	1.7
93.03461	17.0
94.03823	0.4
95.01379	0.4
96.95981	1.5
97.25761	0.3
99.00882	1.1
99.04535	0.8
100.35286	0.3
101.02456	0.8
103.00352	0.8
108.02203	0.3
109.02952	1.1
111.00878	2.1
111.04507	3.4
113.02451	1.2
115.03987	0.4
119.05054	0.3
125.02448	1.0
127.00268	0.3
127.04040	3.0
129.01944	2.1
131.03554	0.5
137.02420	0.8
140.62773	0.4
143.03519	0.7
147.02948	0.5
149.04556	3.7
154.99803	0.3
155.03484	0.9
161.04539	0.7
161.13301	0.6
163.04021	0.5
163.11368	0.3
165.03952	0.3
171.03009	0.9
173.01027	0.4
173.04549	7.4
187.11285	0.4
191.02113	3.0
191.05609	100.0
192.05927	2.2
205.12321	1.5
207.10262	1.2
209.03020	0.9
223.13409	4.2
224.13728	0.4
233.06598	0.4
245.08212	0.4
249.11339	1.3
267.12332	3.0
288.00729	0.3
289.07181	0.9
295.06143	0.4
309.13379	0.4
349.15741	0.3
363.07141	0.3
375.27551	1.9
379.08063	0.4
381.15533	0.9
397.09351	0.5
399.16522	4.2
423.16763	0.6
429.17438	0.8
441.17630	29.5
442.17810	2.4
485.16754	1.0
513.27386	1.0
573.21960	23.7
574.21771	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	573.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50053	0.5
57.03448	5.8
57.25791	0.6
59.01383	16.7
59.61882	0.5
60.99299	1.8
61.98820	1.9
67.01898	3.9
69.03463	1.5
69.17764	4.6
71.01375	4.7
71.64072	0.5
72.99309	1.4
73.02935	1.8
79.95726	1.8
81.03436	1.2
83.01368	0.9
83.05030	1.9
85.02951	11.5
87.00886	7.5
89.02449	3.3
93.03459	30.2
96.16492	0.6
96.96012	53.0
99.00896	2.7
99.04516	1.0
101.02449	1.7
103.00358	1.8
107.04993	0.8
109.02936	1.2
111.00882	2.7
111.04525	7.3
113.02465	1.8
119.03498	1.5
125.02457	0.9
127.03988	2.5
129.01955	3.1
131.03510	1.2
149.04559	7.5
155.03473	2.1
163.11281	0.6
173.04549	16.0
179.05492	0.6
187.11218	0.5
191.05623	100.0
192.05966	2.1
205.12288	0.8
207.10280	1.7
223.10500	0.6
223.11183	0.8
223.13383	6.7
225.69354	0.7
249.11295	0.6
267.12335	3.9
278.65570	0.6
397.09204	1.8
399.16693	4.4
423.16586	1.2
438.82883	0.6
441.17651	45.3
442.18005	2.9
483.26245	4.4
485.16498	3.2
490.10126	0.7
513.27014	1.7
573.21893	40.4
574.21875	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	573.125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
57.03451	10.0
59.01379	23.4
61.98819	4.5
63.02398	2.0
65.00336	8.2
67.01868	1.8
69.03456	2.8
71.01380	9.4
71.53786	1.2
72.99320	4.6
73.02940	2.2
74.91534	0.9
75.00875	2.3
81.03423	1.2
83.01394	9.0
83.05029	2.3
85.02946	17.8
87.00864	4.5
89.02451	5.8
93.03450	8.4
95.01406	2.0
96.96005	3.4
97.02906	1.3
99.00870	6.3
99.04506	1.6
101.02436	1.2
103.00390	1.6
107.01403	14.5
111.00862	2.7
111.04533	7.9
113.02454	10.3
117.01925	1.2
119.03568	1.0
119.05015	1.3
124.01643	1.0
125.02458	26.0
129.01949	3.1
135.04498	1.5
137.02438	1.9
147.03040	1.2
149.02499	1.6
149.04588	6.3
151.00377	40.0
151.01595	2.1
155.03491	1.5
161.13402	1.2
162.03207	2.2
163.03984	1.5
163.11346	1.2
165.01924	2.7
167.03508	2.6
169.01408	1.3
173.04544	11.5
173.05904	1.8
174.03189	1.1
175.02422	3.7
176.01160	1.9
177.01920	1.8
179.05444	1.0
187.11240	1.0
188.04761	2.4
189.09113	1.2
190.02655	1.6
191.01921	2.8
191.03543	2.5
191.05591	11.6
199.07652	3.7
202.02679	4.2
202.04428	1.0
209.02942	2.0
212.04637	1.1
214.02757	2.3
215.07018	2.8
217.01418	2.5
217.08698	12.5
222.25598	1.0
223.13406	12.3
225.05611	1.0
227.03470	2.9
227.07065	1.7
229.04947	1.3
231.06480	2.1
240.07922	1.5
241.05103	6.6
241.08687	4.0
242.02081	1.7
242.05739	2.3
243.06580	9.8
245.08170	6.4
249.11304	2.0
256.52966	1.3
257.80435	1.1
267.06525	2.0
267.12399	10.4
269.08124	7.6
271.06100	20.3
283.09726	1.2
293.08127	3.6
295.06030	4.7
295.35077	1.2
299.01892	1.2
300.02664	4.7
307.09586	2.1
308.03308	1.4
309.07346	1.1
311.09052	2.3
324.02588	5.1
325.03351	3.7
335.01971	2.7
335.05576	2.2
335.09015	2.0
336.02667	9.2
340.02164	1.7
350.08102	5.2
351.08658	5.3
353.06564	2.1
353.10233	1.3
354.03699	10.4
367.08322	1.5
369.09781	2.8
379.08206	96.7
380.08710	8.0
397.09277	100.0
398.09647	6.9
399.16418	9.1
421.09155	1.8
441.17514	5.9
483.25909	2.2
486.73633	1.1
555.11517	5.8
573.12415	29.8
573.21674	7.0
574.13086	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	573.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
58.98190	0.1
59.01380	1.8
59.89568	0.1
67.01893	0.4
71.01383	0.6
71.53572	0.1
73.02973	0.2
79.95736	3.1
83.05026	0.2
85.02950	1.5
87.00873	0.8
89.02439	0.3
93.03457	2.2
96.96012	100.0
97.93135	0.3
97.95941	0.2
99.00884	0.4
99.04557	0.2
103.00372	0.4
111.00898	0.6
111.04508	0.5
113.02457	0.5
113.92653	0.5
114.93410	1.0
125.02443	0.1
127.04038	0.2
129.01953	0.3
131.14798	0.1
145.46378	0.1
149.02437	0.2
149.04523	0.8
150.03230	0.8
151.00389	0.3
165.05507	0.8
166.06302	0.2
166.47049	0.1
173.04568	1.1
187.11292	0.2
191.05611	7.9
195.06583	0.7
207.10289	0.2
223.13383	0.7
246.14345	0.1
249.11359	0.2
267.12372	0.7
271.05869	0.1
284.03256	0.5
299.05627	0.5
300.02649	0.1
305.19904	0.1
343.12018	0.1
397.09399	0.5
399.16354	0.6
423.16663	0.2
441.17566	3.4
441.23331	0.2
475.08878	0.4
485.16608	0.4
530.43170	0.1
531.68597	0.1
573.02625	0.2
573.12988	0.2
573.21997	2.8
574.22412	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72240	0.3
53.06921	0.2
53.81652	0.3
54.94278	0.2
57.03442	0.2
57.67194	0.2
59.01380	1.3
61.98831	100.0
63.99265	0.5
69.61715	1.7
71.01379	0.3
78.95909	1.0
85.66673	0.3
87.29230	0.3
88.98821	0.5
96.96064	0.3
102.45901	0.3
114.57066	0.3
123.69452	0.3
125.02448	0.4
152.99612	0.3
157.74294	0.3
161.79276	0.3
169.79898	0.3
221.05229	0.3
278.56357	0.3
412.07959	0.3
518.23047	0.3
573.25189	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72240	0.3
53.06921	0.2
53.81652	0.3
54.94278	0.2
57.03442	0.2
57.67194	0.2
59.01380	1.3
61.98831	100.0
63.99265	0.5
69.61715	1.7
71.01379	0.3
78.95909	1.0
85.66673	0.3
87.29230	0.3
88.98821	0.5
96.96064	0.3
102.45901	0.3
114.57066	0.3
123.69452	0.3
125.02448	0.4
152.99612	0.3
157.74294	0.3
161.79276	0.3
169.79898	0.3
221.05229	0.3
278.56357	0.3
412.07959	0.3
518.23047	0.3
573.25189	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97380	0.3
59.01381	34.3
61.98832	3.2
62.52423	0.3
69.24497	0.8
69.24905	2.1
71.01351	0.3
80.02691	0.8
81.03456	0.9
83.05025	3.9
84.02147	0.4
89.23866	0.3
95.04993	0.7
98.19860	0.7
109.06525	0.3
118.36326	0.3
125.06090	0.5
125.09739	0.6
125.61625	0.3
135.08185	0.6
163.11288	2.4
163.13774	0.3
165.12830	1.8
171.10272	5.2
191.10838	0.7
209.11824	100.0
210.12172	3.5
227.12883	12.6
229.90657	0.3
247.13380	1.4
265.14618	0.6
278.04416	0.3
401.23242	0.5
419.24652	0.4
449.25626	0.6
475.27209	1.0
493.28214	0.9
511.29382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40176	0.5
57.03434	1.9
59.01393	3.1
61.98836	4.0
62.79820	0.6
69.23394	4.2
70.43598	0.6
71.01379	1.4
72.81409	0.5
73.02964	0.5
73.48575	0.5
75.00842	1.0
78.87902	0.5
83.01401	0.6
83.10239	0.5
85.02949	1.9
87.00886	0.9
88.98794	1.9
89.02448	1.2
93.03445	1.3
96.96031	1.3
99.00846	0.8
101.02449	0.8
111.04517	0.7
113.02472	0.6
119.04975	0.6
125.02456	1.4
125.09753	1.0
127.11324	0.7
129.01990	0.8
137.09750	0.9
155.03499	0.7
156.32100	0.5
163.03984	1.1
165.04024	1.1
171.10284	3.1
173.04553	0.8
177.01863	0.6
191.05611	2.5
283.54886	0.6
333.66977	0.7
349.20163	2.0
355.24783	1.5
371.24405	4.3
373.25928	100.0
374.26273	5.9
571.20715	1.2
571.28918	16.7
572.29425	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2889
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
61.98837	0.7
62.96413	0.5
71.05963	0.5
71.06303	0.4
72.72879	0.4
78.95902	55.5
96.96961	11.4
105.31436	0.3
134.98543	0.6
150.98027	0.6
152.99580	51.8
153.99921	0.5
171.00674	0.8
193.52760	0.4
217.80496	0.4
223.00110	1.5
241.01172	25.9
242.01483	0.4
255.23277	63.1
256.23593	2.6
259.02185	0.6
315.04834	7.5
316.05090	0.4
391.22513	4.5
571.28851	100.0
572.29193	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	571.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81745	0.4
57.03451	0.7
59.01385	2.7
61.98806	1.3
64.32492	0.3
69.18878	3.9
71.01373	1.2
72.99307	0.7
73.02930	0.7
85.02927	1.0
87.00852	0.5
88.98800	2.0
89.02422	0.6
93.03439	1.1
96.67537	0.4
98.15836	0.4
98.20723	0.7
101.02441	0.8
104.53460	0.3
111.04492	0.4
113.02447	0.7
125.02397	0.5
125.09703	1.0
127.11244	0.6
137.02406	0.5
137.09663	0.8
149.04372	0.4
153.09297	0.5
155.10747	0.7
163.03969	0.5
165.04066	1.1
171.10295	3.4
173.04565	0.9
186.30833	0.4
191.05647	2.1
209.08176	0.7
229.14667	0.4
249.11279	0.5
285.20804	0.6
309.59949	0.4
325.23898	0.8
349.20267	0.8
355.24847	1.4
371.24356	1.2
373.25925	100.0
374.26239	6.7
397.14987	0.7
571.20911	0.9
571.28857	18.5
572.29425	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.4
57.03446	2.7
59.01078	3.5
59.01382	67.1
61.98829	46.1
63.99234	2.3
71.01377	54.1
72.99299	4.4
73.02940	16.0
84.33213	1.9
85.02932	11.4
87.00850	3.0
88.98775	3.3
89.02444	81.7
97.02957	1.8
99.00871	23.2
101.02443	31.4
113.02461	15.1
119.03483	7.4
119.05016	3.4
121.02962	4.0
125.02435	5.5
131.03506	11.5
149.04546	41.5
158.63673	1.9
161.04530	4.1
163.04039	2.3
191.05634	10.3
209.11780	9.2
226.14595	2.0
228.63040	2.0
269.04480	6.7
365.99854	2.1
379.21115	2.6
511.25400	100.0
512.25494	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55524	0.4
53.67113	0.3
57.03447	0.7
59.01380	2.7
63.47174	0.4
68.13824	0.4
71.01388	2.0
73.02962	1.0
73.47180	0.4
77.68235	0.4
83.01406	0.7
85.02939	1.0
87.04533	1.6
89.02451	1.1
91.71348	0.4
93.03461	1.5
96.96006	1.9
99.00882	2.1
101.02441	0.6
111.04517	0.5
113.02456	0.9
116.92874	1.6
117.01926	0.4
117.03485	0.7
117.92899	1.0
118.92648	0.5
119.05029	100.0
120.05347	2.4
125.02422	0.9
131.03474	2.8
161.06064	1.3
163.04012	62.8
164.04393	1.4
166.09120	0.5
173.04579	0.8
191.05614	1.7
205.05061	1.4
209.08224	1.8
233.08386	0.4
247.09889	0.4
251.09303	0.4
269.89624	0.4
316.18216	0.5
325.09216	1.5
349.20087	1.9
371.13583	1.0
457.13498	89.5
458.13919	6.0
540.04706	0.5
571.21130	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	570.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82748	0.1
59.01375	0.4
61.98830	100.0
71.01398	0.2
71.47345	0.2
108.59962	0.1
119.05005	0.2
125.02439	0.3
152.84201	0.1
220.17767	0.2
311.00912	0.1
328.18237	0.2
563.74896	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97788	0.8
55.01874	0.9
57.03439	1.7
59.01377	10.1
61.98829	100.0
63.36603	0.8
63.99262	1.4
70.16013	2.4
71.01382	12.3
72.99310	1.1
73.02953	6.1
75.00913	0.9
83.01389	2.4
83.79458	0.8
85.02946	4.8
87.00886	1.4
87.04514	78.7
88.04854	1.2
88.98851	1.1
89.02467	4.5
96.96037	1.4
97.02957	1.7
97.41335	0.6
98.24660	0.7
99.00896	3.4
100.71728	0.7
101.02438	8.8
109.02959	0.8
111.00954	0.8
113.02423	3.7
115.04051	0.8
125.02448	1.8
131.03560	1.3
143.03487	0.8
161.04576	1.7
163.03973	0.9
171.10312	0.8
273.63742	0.8
299.01855	1.2
377.21881	2.8
416.64136	0.8
421.20895	2.8
509.25995	61.2
509.35806	2.7
510.26663	5.1
569.30621	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	569.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00951	0.8
55.01878	0.9
55.64503	0.8
57.03446	1.3
59.01376	16.4
61.98831	70.6
63.99246	1.5
71.01381	14.5
71.53716	0.8
71.76025	0.8
73.02949	7.8
83.01403	2.1
84.02155	0.8
85.02957	6.6
87.00863	1.7
87.04513	100.0
89.02464	7.4
93.03391	1.0
97.02958	1.3
99.00873	5.8
101.02448	10.4
111.00951	0.9
113.02450	5.3
125.02418	3.7
141.01651	2.4
143.03499	0.9
161.04524	3.3
210.36349	0.8
279.86804	0.8
299.01746	1.1
307.17865	1.4
319.53317	0.9
338.78943	0.8
361.74979	0.8
377.21613	3.5
421.20688	3.7
508.35846	3.0
509.26010	87.0
509.35287	5.6
510.26413	5.7
569.14539	1.1
569.30310	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	569.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.5
58.00611	0.3
59.01378	2.7
59.18586	0.3
60.99324	0.4
61.98817	2.2
63.02405	0.8
65.00326	2.7
68.99811	0.7
70.87987	0.4
71.01385	1.4
71.53945	0.5
72.99345	0.4
73.02948	1.1
75.00911	0.4
77.57980	0.3
81.03471	0.6
82.17696	0.4
82.95400	0.3
83.01379	2.8
85.02966	0.9
87.00890	1.0
88.98802	0.9
89.02452	1.3
93.03474	2.4
95.01395	0.7
95.05000	0.4
96.96019	0.8
97.02951	0.6
97.06569	0.4
99.00925	0.3
101.02431	0.7
105.73380	0.3
107.01385	3.4
108.02162	0.5
109.02962	2.8
111.00911	0.7
113.02467	1.3
119.05054	0.7
121.02975	1.6
123.00939	0.7
123.04520	1.9
124.01670	3.1
125.02448	48.1
125.09727	1.1
126.02786	1.1
133.02992	0.5
135.04570	0.5
137.02472	2.2
138.03268	0.3
139.00343	0.5
139.03978	1.4
141.12889	0.3
147.04541	0.9
148.78012	0.3
149.02446	6.1
150.03175	0.6
151.00362	14.0
151.03992	1.4
152.01166	1.8
153.01929	12.3
153.05482	0.4
155.03476	0.5
161.02434	0.8
163.00325	0.5
163.02672	0.5
163.03990	1.5
165.01952	1.5
167.03496	1.4
168.00648	6.3
169.01401	2.3
171.10275	3.3
173.04553	1.2
173.05974	0.5
174.03210	1.2
175.00401	2.2
175.03983	5.2
176.01065	0.5
177.01947	9.8
178.99867	8.2
179.03456	0.7
180.00314	0.4
181.01430	5.7
187.04103	0.6
188.04814	1.0
189.05588	2.0
191.03549	1.3
191.05630	1.1
195.03023	0.8
199.04059	2.9
201.01886	0.7
205.01329	0.7
207.02957	0.4
209.11894	0.4
213.05688	0.6
216.04276	0.7
217.05061	3.2
227.12987	0.5
241.05113	2.7
243.03114	0.7
257.04349	0.4
259.06036	1.9
275.05621	8.5
276.05811	0.6
284.03226	0.7
285.04053	26.0
286.04422	2.1
299.05585	3.7
303.05087	37.2
304.05505	2.2
305.06625	0.4
309.04050	0.4
313.20676	0.4
327.05093	0.8
341.23260	3.0
353.23322	1.4
369.22754	0.6
371.24359	100.0
372.24692	6.6
413.25156	0.4
417.08243	0.7
419.09964	0.4
423.16391	0.6
445.07782	3.4
447.09378	4.5
448.09702	0.5
457.22449	0.4
507.12906	0.4
541.13397	1.2
551.11841	2.0
569.26971	18.1
570.27136	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	568.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.4
61.19694	0.1
61.98830	100.0
64.73857	0.1
69.32475	0.3
69.32883	0.6
71.01379	0.3
82.22845	0.1
85.02924	0.1
85.77419	0.1
87.00870	0.1
90.64376	0.1
98.20734	0.1
101.02507	0.1
105.44919	0.1
113.02449	0.2
114.13361	0.1
148.27165	0.1
170.02354	0.1
177.62584	0.1
186.99117	0.1
246.99277	0.1
342.46249	0.1
410.79758	0.1
507.35263	0.1
508.35657	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1303
Annotation	cudranian 2
Peak:m/z	Relative Intensity
57.03164	0.8
57.03449	15.0
57.46486	0.5
59.01381	3.3
60.99314	0.4
61.98828	5.3
65.00322	2.6
68.31871	0.4
68.99844	0.4
69.03454	0.8
71.01387	1.8
75.00828	0.4
81.03467	0.8
83.01398	5.8
85.02967	0.9
87.00867	0.8
88.98798	1.0
89.02430	0.9
89.42673	0.4
90.03537	0.5
93.03457	1.3
95.01390	3.6
96.00932	0.7
96.96015	1.0
101.02436	1.1
107.01392	2.8
108.02189	0.9
109.02969	3.2
109.03602	0.4
110.00098	0.5
111.00909	2.2
111.04502	0.6
119.05057	1.4
121.02966	5.0
123.00836	2.2
123.04538	4.4
124.01665	7.0
125.02450	100.0
126.02796	1.8
127.00393	0.5
129.33760	0.4
130.08717	0.9
130.29570	0.4
133.02950	0.8
135.04521	0.7
137.02431	3.4
139.00398	1.3
139.04015	1.4
146.03700	0.5
147.04527	1.7
149.02449	4.4
150.03258	3.1
151.00365	11.7
151.03998	5.5
152.01161	12.0
153.01924	5.4
158.03568	0.5
160.73413	0.5
161.06093	1.0
163.00388	2.2
163.04031	1.1
165.01913	0.5
165.05511	0.9
169.01448	0.6
172.05241	0.7
173.04539	1.1
173.06071	2.0
174.03227	2.2
175.04010	6.2
176.01193	2.6
177.01923	4.9
178.99890	6.8
181.01422	0.9
187.04024	1.0
188.04810	1.9
189.05553	5.3
191.03526	2.1
191.07158	0.7
193.01324	0.5
193.05014	3.2
199.03998	2.0
201.01881	0.6
203.07121	1.5
207.02905	0.7
213.05637	1.0
215.03493	0.8
215.07056	0.9
216.04260	1.9
217.05052	9.2
217.06932	0.8
219.03011	0.8
227.14008	1.5
229.05009	0.7
231.06703	2.3
235.06094	0.8
241.05127	3.7
243.02927	0.7
257.04520	1.9
258.05466	0.7
259.06107	14.8
260.06378	0.6
262.49094	0.5
274.04971	1.5
275.05585	6.1
284.03311	1.4
285.04062	24.6
286.04510	1.0
287.05652	0.8
303.05157	6.5
371.24344	1.1
406.19373	0.8
407.19992	0.7
417.06033	0.7
419.09805	0.7
429.08362	0.6
442.91437	0.5
449.27695	1.2
499.89926	0.5
525.13916	1.9
531.28137	1.4
533.29303	0.9
541.13525	16.5
542.13586	0.6
547.25604	1.1
551.11938	8.6
552.12286	1.0
569.13013	76.3
569.25641	2.4
570.13293	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	567.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03445	1.5
59.01379	46.6
61.98830	29.0
63.45826	0.9
70.07558	3.6
71.01381	26.3
72.99306	2.0
73.02940	6.5
80.91705	1.2
82.88007	0.9
83.01381	2.7
85.02953	12.4
87.00921	2.0
88.98796	1.9
89.02454	7.9
91.11433	0.8
95.01392	3.0
99.00914	2.9
101.02441	16.9
105.01945	1.5
111.00887	1.7
113.02454	10.5
116.92831	2.0
119.03526	2.0
119.05035	1.4
124.01670	1.3
125.02399	4.6
125.37134	0.9
129.01865	1.0
137.02443	1.7
141.01698	5.1
149.04596	1.0
156.55434	0.9
159.02921	1.3
161.04538	5.6
167.03563	1.6
168.00667	1.4
173.04567	1.4
241.13585	0.9
284.86551	0.9
345.30023	2.8
507.35379	100.0
508.35684	8.7
531.27698	1.2
550.62445	1.0
567.11920	1.3
567.21313	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	568.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60469	0.2
59.01383	2.1
59.68827	0.2
61.98831	100.0
64.84418	0.1
67.43172	0.2
70.86256	0.5
71.01385	0.9
83.01426	0.3
85.02956	0.5
93.85338	0.2
101.02457	0.7
101.24559	0.2
113.02464	0.3
121.02971	0.3
161.04514	0.2
165.02042	0.3
169.01390	0.2
388.35968	0.2
505.17728	0.2
507.35483	0.5
508.35547	2.5
526.83270	0.2
534.47729	0.2
545.07776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18095	0.8
56.84577	0.7
56.99422	0.8
57.03432	2.5
58.99015	0.9
59.01381	4.2
68.99802	1.1
69.03460	1.0
69.21269	7.1
71.01389	5.3
73.02946	1.8
73.98684	0.8
75.00880	1.5
81.03461	8.8
83.01368	6.8
85.02954	4.4
87.00871	1.0
88.98790	3.3
89.02443	1.1
89.30727	0.9
91.94733	0.7
93.03470	7.2
95.01357	3.1
95.05024	4.6
95.85133	0.7
97.02937	5.1
97.76554	0.9
99.00863	1.4
99.04497	2.4
101.02470	0.8
107.04996	1.5
108.02154	1.4
109.02959	4.7
111.00851	1.1
111.04525	4.3
113.02460	4.2
119.05032	10.8
121.02934	5.2
121.06597	0.9
123.04524	17.4
125.02446	16.0
135.04546	5.8
137.02443	8.5
137.06073	7.3
138.03056	0.8
139.04025	10.9
147.04529	3.9
149.02406	1.1
149.06052	1.8
151.04033	4.9
153.05586	1.6
155.03464	1.0
161.06053	1.1
163.03928	4.1
163.07616	0.9
165.01907	2.4
165.05545	7.7
166.02649	2.1
167.03494	33.6
175.03912	0.9
177.05566	2.3
179.03502	10.0
179.07083	1.6
180.04280	1.9
181.05090	3.8
189.05591	8.6
191.03546	1.7
193.05040	6.4
197.04538	6.0
203.03653	1.0
205.05064	1.6
207.06549	2.5
209.04549	29.7
210.04729	1.0
219.02919	2.7
220.03763	1.0
221.04585	7.2
223.06079	1.4
229.08571	2.2
233.04501	1.8
235.06032	1.6
239.05594	13.3
245.04457	1.2
251.05615	5.0
263.05472	2.7
269.06552	4.4
271.06656	0.8
273.07629	5.8
281.06589	2.5
284.03104	1.6
285.07642	1.6
286.03839	1.7
299.05530	1.7
301.06189	1.9
315.08728	18.6
316.08917	1.5
327.08722	9.9
329.06467	1.0
341.09909	1.8
345.09750	9.4
357.09769	100.0
358.10226	6.0
369.09744	3.6
371.11176	1.9
387.10831	93.8
388.11258	5.1
399.10611	3.8
411.10733	0.9
417.11890	30.8
418.12262	2.2
429.11850	13.3
441.11563	1.5
447.12970	21.2
448.13370	1.2
459.12872	10.6
477.14151	15.1
478.14639	1.1
489.14133	4.6
507.14835	2.3
549.15948	3.3
567.17120	21.7
567.24670	0.9
568.17206	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01383	4.6
61.98831	6.2
65.00318	1.3
69.24545	2.3
69.24965	0.8
71.01373	2.2
72.99310	0.4
73.02945	0.8
83.01386	0.8
85.02949	1.0
87.00874	1.0
87.02397	0.3
88.98814	0.6
89.02439	1.4
93.03465	0.5
96.96016	0.6
99.00884	0.7
99.05593	0.4
101.02434	0.9
107.01364	1.8
107.49187	0.5
113.02461	0.8
116.92901	0.8
119.05051	0.7
121.02965	8.0
125.02443	1.4
137.02374	0.6
138.03189	0.4
141.06743	0.8
145.02979	0.6
148.01656	0.5
149.01286	0.6
149.02444	10.5
149.04417	0.4
151.00362	6.1
151.03961	0.4
159.04532	0.4
161.02426	0.4
161.04637	0.4
163.03990	0.7
169.01395	0.6
175.04002	0.4
177.01935	0.7
183.04504	0.7
187.03935	0.5
191.03510	2.1
191.05290	0.4
199.04059	0.5
209.11909	2.0
211.04066	0.4
215.03493	1.6
217.01285	0.4
217.05072	0.7
227.03493	1.5
229.01346	0.5
229.04926	0.6
233.04575	1.2
239.03479	1.3
243.02966	0.4
249.20863	0.4
255.02951	1.5
256.03482	0.4
257.04568	0.5
259.02478	0.6
269.04648	1.6
271.02478	1.7
272.03268	6.9
273.03806	0.5
283.02548	0.4
297.04141	3.5
299.02057	1.2
300.02744	32.7
301.03522	100.0
302.03903	4.6
323.48019	0.3
324.39212	0.3
327.05188	0.4
343.04605	0.9
369.13297	0.6
379.82101	0.4
380.20306	0.4
404.24356	0.4
405.19168	0.5
435.16269	0.4
435.26239	0.6
445.07779	4.4
446.65448	0.5
450.76489	0.3
531.28101	1.6
542.71381	1.8
543.21051	0.6
551.71808	4.3
552.22113	0.7
567.11450	79.7
567.23889	2.0
568.11761	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	566.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95159	0.1
59.01383	1.7
60.01676	0.1
61.98830	100.0
69.33015	0.6
69.33451	0.5
71.01376	0.7
73.02970	0.2
77.44907	0.1
81.65751	0.1
83.01388	0.2
85.02941	0.7
89.02463	0.2
99.00904	0.2
101.02445	0.7
113.02455	0.6
125.02450	0.2
142.87750	0.1
143.03894	0.1
154.01462	0.2
161.04497	0.3
163.03987	0.1
191.02008	0.1
193.57906	0.1
223.31680	0.1
297.82349	0.2
324.71524	0.2
393.60141	0.1
506.34058	0.6
507.35376	2.4
516.39569	0.1
566.20813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.0
61.98831	100.0
71.01399	0.7
71.54129	0.2
73.02952	0.2
78.95928	0.2
82.00059	0.2
83.01405	0.2
85.02960	0.4
86.52715	0.2
89.02471	0.3
89.87085	0.2
93.03474	0.2
101.02464	0.6
113.02514	0.2
119.03518	0.3
121.94722	0.2
133.54588	0.2
147.95700	0.2
161.04539	0.2
162.04831	0.2
171.10304	0.4
209.11823	0.3
339.39407	0.2
357.17786	0.3
402.74454	0.2
505.34085	0.3
506.34055	1.8
507.35031	0.3
566.21472	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
59.01380	55.7
60.01693	0.9
61.98830	100.0
69.58632	0.9
69.59045	2.7
71.01382	7.7
71.01733	0.9
73.02957	3.0
83.01385	1.1
85.02959	3.2
87.00861	0.8
87.04514	0.9
89.02457	2.7
93.03425	1.0
96.96027	1.8
101.02431	4.3
107.01447	0.6
109.94106	0.6
113.02417	3.1
116.92860	1.7
117.92965	0.6
119.03482	1.4
119.05074	0.7
125.02501	1.4
137.02412	0.7
141.01732	0.9
143.03548	0.8
149.04494	0.8
153.01935	0.8
153.05449	0.8
159.03020	0.6
161.04535	1.4
164.07213	1.3
173.04651	0.9
177.02090	0.7
193.74696	0.6
209.08273	0.8
209.11852	0.6
213.93275	0.7
287.22336	0.7
300.02832	5.0
300.22021	0.6
301.00439	0.6
301.03326	2.9
399.23862	12.4
399.28635	0.8
400.24387	0.7
405.19464	2.2
417.24966	9.3
418.25562	0.7
428.43457	0.6
432.27008	2.5
434.22070	2.1
450.28018	0.9
459.26175	5.9
503.17972	1.1
506.33762	0.9
566.28998	1.0
567.11530	6.3
567.24988	0.8
576.01733	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69561	0.4
55.01862	0.5
57.03456	0.9
59.01382	49.0
60.01735	0.7
61.98831	100.0
63.84953	0.4
65.28318	0.4
70.50182	0.5
70.67646	1.2
71.01385	7.1
73.02944	2.4
75.00880	1.6
83.01406	1.1
85.02947	3.6
86.30267	0.4
87.00909	0.6
89.02464	0.6
93.03466	1.2
99.00864	0.8
101.02451	5.9
102.34113	0.4
107.30965	0.5
113.02446	2.7
119.05022	0.7
125.02475	1.0
129.01878	0.7
143.03558	0.4
159.02998	0.8
161.04558	2.9
165.04030	3.4
169.01451	0.6
189.41324	0.4
203.05675	0.7
253.04994	1.1
255.19690	1.4
260.28738	0.4
313.56253	0.5
372.52420	0.4
399.23865	4.8
417.24841	5.6
459.25952	19.0
460.26532	1.8
506.34238	0.5
566.32178	0.9
567.24982	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30980	4.7
59.01379	21.1
61.98830	100.0
62.97299	4.2
65.67151	4.1
71.01384	7.5
71.53393	6.4
96.95992	4.4
99.92594	5.5
112.38721	4.9
116.92837	15.1
125.02460	6.6
152.11417	5.2
159.82166	5.0
184.20058	4.9
269.04633	7.4
330.80957	5.0
565.27832	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41443	3.2
57.56733	4.0
59.01382	16.9
61.98830	100.0
71.01381	5.8
85.57338	3.5
116.92876	22.7
121.02975	4.6
125.02428	12.0
165.01855	6.9
169.01396	7.2
171.69032	3.4
212.53662	4.2
477.17838	4.3
505.33896	4.5
565.14142	6.2
565.27997	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91870	1.4
55.01848	1.7
57.03448	30.7
57.11693	1.3
59.01378	100.0
59.14031	1.3
61.98808	3.0
71.01380	7.6
71.53564	2.1
73.02949	3.9
75.00861	3.5
83.01392	6.9
85.02946	7.4
87.00879	1.8
89.02434	6.3
93.03490	1.8
96.96013	86.9
97.39022	1.5
99.00896	1.8
99.04522	4.4
99.92583	2.5
101.02429	7.7
105.04459	1.4
113.02428	2.2
113.99602	1.9
115.00374	2.2
116.92867	32.0
119.03510	1.8
125.02448	2.6
126.99625	1.6
127.00385	16.5
129.01933	2.8
145.01399	4.9
149.04526	4.7
156.00665	2.9
159.03064	1.6
163.02458	1.5
165.04100	3.0
165.05292	1.5
165.12852	2.9
173.04564	6.8
174.01709	8.9
179.03490	3.3
191.01985	2.2
191.05611	2.0
193.05107	1.3
207.13925	8.0
209.11836	11.6
225.14969	10.6
227.12880	68.5
251.12840	2.3
269.13937	16.5
270.14255	1.8
285.03989	4.0
287.14990	94.1
288.15356	2.5
324.10092	1.5
353.08664	3.3
361.16400	2.9
389.18198	1.9
417.17551	2.8
419.19235	82.0
420.19672	5.8
433.17126	6.4
469.21130	2.1
565.21387	83.8
566.21753	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	565.1556
Annotation	CHEBI:70200
Peak:m/z	Relative Intensity
57.03460	1.7
59.01376	9.2
61.98804	1.1
62.55093	0.8
68.99790	0.9
69.03452	1.8
69.48593	5.8
71.01373	6.4
72.99342	0.9
75.00835	0.9
79.01878	1.0
81.03431	2.3
83.01382	3.8
85.02953	3.7
87.00845	1.6
88.06998	0.9
89.02444	4.8
89.37204	0.9
89.76929	0.8
93.03460	5.7
94.95991	0.8
95.01390	2.0
95.96481	0.9
97.02937	3.4
98.19886	1.0
99.00899	1.7
101.02438	3.5
107.01411	4.7
107.05005	1.6
109.02940	3.4
110.49658	0.8
111.00866	1.8
111.04507	2.3
113.02420	3.1
115.00345	1.0
117.03445	1.6
119.03571	1.9
119.05025	34.6
121.02934	3.8
123.00941	1.2
123.04507	2.8
125.02441	7.9
129.01953	2.5
131.03441	1.0
133.02969	1.2
135.04477	3.4
137.02409	6.1
139.03983	5.3
143.05008	4.7
145.02969	5.8
147.04494	1.7
149.02394	3.2
149.04512	1.3
150.03217	1.9
151.00345	4.4
151.04024	1.8
155.03539	0.8
159.04530	1.1
161.02382	1.9
161.04781	1.3
161.06084	2.4
163.00342	3.0
163.03999	3.5
164.01131	1.6
165.01939	4.7
165.05579	0.9
167.03471	8.9
173.04576	2.1
175.02495	1.0
175.03896	0.9
177.01868	5.2
178.02814	1.3
179.03432	2.5
179.10765	2.3
187.03989	6.5
189.01866	1.3
191.03517	2.7
191.05475	0.9
193.01413	8.8
193.05031	1.0
195.17122	0.9
197.04543	3.3
199.07611	2.2
203.03362	1.0
205.01418	6.1
205.04951	1.2
207.02930	3.4
209.04524	3.4
211.13393	1.2
217.05092	0.9
219.02937	3.3
219.04993	1.1
221.04504	2.2
223.02524	2.0
223.07825	0.9
223.09758	4.2
227.07196	1.8
235.02480	11.4
236.03140	1.2
239.05583	2.3
245.08186	1.0
247.02484	1.8
249.04118	1.3
261.04001	2.5
265.03476	5.6
265.08569	1.1
271.06064	4.3
283.05991	2.3
291.05032	1.3
297.07593	1.3
313.07150	16.9
325.07147	8.1
326.07675	1.0
339.08844	1.5
343.08191	7.5
343.12067	1.4
352.05804	1.1
355.08206	65.3
356.08475	3.6
367.08209	3.4
369.09860	1.2
385.09256	62.4
386.09549	3.3
391.19702	3.4
397.09122	2.8
403.15903	4.8
409.09329	1.3
415.10303	19.8
416.10950	1.1
427.10330	8.0
445.11438	21.2
446.11737	2.0
449.20050	1.0
457.11276	6.9
475.12469	24.2
487.12283	3.2
505.13559	2.6
547.14734	5.5
565.15668	100.0
565.24158	4.5
566.16046	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	565.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01318	2.4
56.13150	2.3
57.03455	12.7
57.57741	2.2
59.01382	38.2
60.99308	20.3
61.98820	4.2
65.40857	2.7
65.59982	2.5
69.32422	7.8
69.32825	11.6
71.01389	24.1
73.02947	4.6
75.00872	9.4
79.43532	2.4
83.01398	6.2
85.02953	23.4
87.00859	7.6
88.98808	100.0
89.02443	13.6
93.03426	6.0
95.01386	6.2
95.05035	3.0
96.96011	5.0
99.00903	6.0
99.04531	3.0
101.02427	8.8
103.00381	3.5
111.00911	2.8
113.02444	44.8
117.01942	2.9
125.02437	16.4
126.02810	3.1
129.01895	4.7
137.02406	10.9
149.04524	5.5
151.03941	3.1
166.02277	2.9
167.03468	8.0
168.03818	4.6
169.03998	3.6
175.02480	16.3
213.05438	3.5
214.05901	4.8
215.03497	3.1
216.04161	2.7
229.04944	3.3
241.05069	15.9
242.05362	11.7
243.05641	8.8
252.13202	2.9
256.03638	7.3
257.04422	5.6
258.04865	6.1
269.04468	3.2
269.13931	9.9
270.04813	3.0
271.05142	3.2
271.14511	2.5
284.03259	64.9
285.03778	5.5
299.05603	97.9
300.06039	5.1
391.26932	3.1
397.52359	2.8
417.21487	4.9
422.23370	2.7
433.24652	20.9
475.08798	58.5
505.20764	3.3
547.12701	4.1
564.12872	3.5
564.22870	3.9
565.12646	27.4
565.22180	5.6
565.28870	8.3
570.65973	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	563.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.5
57.03444	9.3
58.00597	2.8
59.01381	80.4
59.55541	1.0
60.01714	1.3
61.98829	3.1
67.01901	1.3
69.03448	2.5
69.34406	8.3
69.55882	1.0
71.01383	35.6
72.99307	3.8
73.02941	9.0
73.59801	1.0
73.74399	1.0
75.00880	1.2
81.03461	1.8
83.01379	5.9
83.05045	1.4
85.02948	11.1
87.00880	5.6
89.02447	40.2
90.53234	1.0
93.03452	9.4
95.01392	2.9
97.06590	1.3
99.04522	38.4
101.02445	22.0
111.00872	4.3
111.04492	2.9
113.02445	11.7
119.03515	7.9
119.05014	1.1
125.02461	4.7
127.00336	1.2
129.01930	3.0
131.03514	5.2
137.02441	3.4
143.03476	1.6
149.04553	37.9
150.04871	1.3
157.08707	2.2
161.04517	2.8
163.03973	2.1
165.03975	2.1
165.12816	1.7
167.03511	2.8
171.10313	2.7
172.05310	0.9
173.04559	4.7
173.05962	1.2
179.05614	1.9
189.05630	1.9
189.12868	8.4
190.06454	1.4
191.05574	3.0
207.13898	48.4
208.14299	2.3
209.11781	3.7
215.12880	1.0
223.13277	1.4
233.11780	2.3
241.05022	3.5
243.02962	2.0
251.12886	90.6
252.13161	3.4
255.03003	1.8
257.04434	1.7
267.12402	1.2
269.04596	2.2
269.13904	18.3
271.02475	4.0
299.01984	6.9
300.02655	3.7
311.05502	1.7
314.04401	4.8
315.05054	10.0
323.05411	1.3
329.13654	1.2
341.13815	4.5
353.06650	3.2
371.24368	2.3
383.07800	2.7
383.17291	2.7
389.25409	18.5
389.83096	1.3
401.18182	10.2
417.17157	2.8
417.21545	3.2
431.19156	100.0
432.19510	6.5
443.09448	1.3
475.25604	9.2
503.18951	1.8
519.11462	4.5
545.13080	10.5
563.13635	6.0
563.23328	79.4
563.30591	11.3
564.23584	6.5
584.56226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69111	0.5
53.56918	0.5
55.01828	0.7
57.03388	2.1
58.54258	0.4
59.01316	8.9
60.99238	2.7
61.98764	13.1
61.99118	1.0
62.40668	0.4
65.03937	0.6
67.01826	6.4
69.03389	1.9
69.10406	0.4
69.82880	2.3
71.01387	8.0
71.01731	0.6
71.04953	0.5
72.99239	0.5
73.02937	2.4
81.03389	1.4
83.01337	1.1
83.04968	1.5
85.02951	9.5
87.00877	9.8
89.02368	1.6
93.03459	57.5
94.03735	1.1
95.01308	0.8
98.20539	0.6
99.00800	1.8
99.04433	1.4
101.02435	4.2
108.63400	0.5
109.02898	0.9
111.00789	0.7
111.04523	9.0
113.02457	2.3
115.03999	0.5
119.03426	0.9
124.01638	0.5
125.02416	2.2
126.00829	0.4
127.04036	0.9
129.01874	1.6
133.02968	4.8
134.03648	1.6
135.04526	35.0
136.04744	0.9
137.02437	13.3
141.02409	0.4
143.03427	0.9
149.99538	1.1
155.02281	0.5
155.03502	7.5
156.33908	0.4
159.02881	0.8
161.02441	11.1
161.04478	2.6
165.12817	4.0
168.00552	1.8
173.04549	26.1
179.03500	31.9
180.03738	0.8
183.12210	0.7
183.13873	14.9
191.05605	52.6
192.05902	1.0
209.11575	0.7
218.85745	0.6
227.12938	5.1
228.13225	0.5
240.61507	0.4
270.02167	0.5
327.21671	1.1
335.07681	1.4
341.26859	2.2
353.08786	8.5
357.26355	0.7
383.17267	5.7
401.18161	100.0
402.18546	4.5
503.24759	1.2
503.32233	17.5
504.32565	0.6
545.20514	0.6
563.21454	23.6
564.21814	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	563.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	50.8
58.00584	1.4
59.01105	1.9
59.01383	23.3
61.98821	5.6
67.01890	4.6
67.48687	1.0
69.03468	2.2
69.21986	10.7
71.01382	12.8
72.99318	1.7
73.02934	6.1
73.48759	1.1
75.00874	2.6
81.03440	2.6
83.01392	7.8
83.05024	1.4
85.02948	9.2
87.00875	13.8
89.02451	9.3
91.08637	1.0
93.03456	28.8
95.01395	1.5
96.66281	1.1
96.96006	2.3
97.06632	1.3
99.00881	5.1
101.02480	6.6
103.00371	36.2
111.00880	47.9
111.04520	6.3
111.08134	2.2
113.02451	7.3
113.98815	1.1
116.65889	1.1
116.92860	4.0
119.03539	1.8
119.05045	2.2
125.02448	6.5
127.00368	1.9
128.01118	1.8
129.01941	24.8
137.02440	3.9
143.03523	2.0
147.03145	1.2
149.04541	3.2
151.03981	1.3
153.01988	1.4
154.99840	2.3
155.03479	3.0
161.04497	2.6
161.45744	1.1
163.02559	2.1
163.03836	1.4
165.01907	1.7
165.12845	32.4
167.03508	2.7
169.01382	1.2
173.00882	5.1
173.04568	15.4
183.13905	59.7
184.14299	1.2
191.01999	2.2
191.03983	2.1
191.05637	28.4
195.13841	1.6
197.15468	7.8
207.13889	8.4
209.11818	5.8
223.13383	3.2
225.14944	6.9
227.12880	100.0
228.13367	2.6
231.06767	1.5
241.05042	4.4
241.14436	2.4
243.02989	1.3
251.12866	15.3
257.04471	1.7
269.04605	2.7
269.13910	11.2
293.13907	2.3
300.02682	3.1
313.12866	14.0
315.05139	3.4
327.22104	1.2
353.07031	1.4
357.15540	2.4
383.17053	5.3
389.18018	16.1
389.25497	4.5
401.18207	30.6
402.18338	1.8
407.07672	1.5
443.19336	1.3
475.18188	53.4
476.18585	3.3
532.20715	1.3
563.12543	3.7
563.22797	15.2
563.32159	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	563.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81942	2.3
57.70284	2.4
58.00593	3.6
59.01382	70.6
60.99308	12.9
70.65395	6.1
71.00379	2.7
71.01375	22.8
71.52015	2.6
72.99307	71.3
75.00884	9.9
85.02962	4.5
87.00880	7.0
89.02441	100.0
93.03468	7.2
97.04301	2.7
99.00879	4.4
115.00361	20.3
117.01947	62.6
133.01431	91.4
135.03015	6.0
137.02455	6.9
145.01434	33.1
147.03024	7.4
149.04543	4.1
157.96831	2.6
161.00912	10.1
185.12251	2.7
209.02972	3.5
221.03003	35.0
221.06543	3.0
338.53656	2.8
341.10690	2.9
399.36835	3.0
452.59534	2.5
563.15613	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	563.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27506	0.5
65.33822	0.4
70.83281	1.0
70.83612	0.8
71.01379	1.0
73.63472	0.5
93.03468	0.8
117.03460	4.2
135.04471	1.5
145.02995	0.7
147.04578	0.6
149.02382	1.1
159.04564	0.7
161.02446	1.9
163.04002	0.6
175.04004	1.1
177.01959	0.8
177.05585	1.6
179.03421	0.8
187.03886	0.6
189.01840	0.6
191.03479	1.3
203.03532	1.3
205.05234	0.5
223.97955	0.5
240.79475	0.5
251.07108	1.1
253.08800	0.7
267.06705	1.1
268.07352	1.2
281.04575	0.8
282.05322	2.4
283.06189	3.5
285.13998	0.6
295.06125	3.8
296.06711	2.5
297.07684	16.7
298.08063	1.0
307.06226	2.4
309.07651	2.2
311.05603	2.9
323.05615	3.5
324.06049	0.9
325.07156	7.2
328.05875	3.2
335.05609	1.9
337.07117	3.2
341.06854	0.7
351.04990	1.4
353.06668	32.3
354.06812	2.6
355.08255	1.4
356.05380	0.8
365.06589	3.7
383.07724	20.7
383.12671	1.1
384.08264	0.9
395.07693	2.0
397.09283	0.9
413.08820	1.9
421.47665	0.6
425.08655	1.4
443.09778	10.7
455.09723	0.9
473.10950	6.3
474.11298	0.6
563.14056	100.0
564.14368	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	563.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
62.40627	0.4
63.29156	0.4
69.66693	1.9
69.67112	0.7
71.01376	1.0
73.02942	0.5
85.40408	0.4
87.00868	0.4
92.55302	0.3
93.03461	1.1
114.42014	0.4
115.00345	0.6
117.03463	4.9
119.05031	0.5
135.04527	1.8
145.03021	0.5
147.04500	0.4
149.02448	0.8
161.02444	2.4
161.05986	0.4
162.03152	0.5
163.03995	1.2
175.02477	1.1
175.04028	1.0
177.05568	1.2
179.03619	0.5
189.01834	0.8
189.05515	0.4
191.03488	1.1
203.03496	1.0
205.05034	0.7
215.03618	0.4
225.05626	0.4
233.04491	0.5
245.04485	0.5
251.07013	0.6
254.05867	0.6
267.06470	0.7
268.07291	1.1
275.05652	0.4
281.04633	0.7
282.02573	0.4
282.05151	2.3
283.06119	3.2
295.06174	3.7
296.06897	2.6
297.07651	18.0
298.08133	0.7
307.06161	2.1
309.04443	0.5
309.07666	2.4
311.05469	3.0
321.07654	0.5
323.05563	3.3
324.06311	1.0
325.07117	8.0
326.07831	0.6
328.05832	2.9
335.05594	1.5
337.07266	2.7
341.06732	0.8
351.04984	0.7
353.06647	36.0
354.06931	2.3
355.08209	1.1
356.05450	1.4
365.06592	5.4
366.06897	0.5
367.08447	0.7
383.07706	27.6
384.08044	2.2
395.07791	2.4
397.09128	0.5
404.97852	0.4
407.07751	1.1
409.57565	0.5
413.08771	3.0
425.08813	2.7
443.09750	6.1
473.10864	8.0
474.11288	0.5
503.11795	4.0
545.12640	1.9
563.14032	100.0
564.14423	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	563.1204
Annotation	Theaflavin
Peak:m/z	Relative Intensity
57.03456	14.0
59.01382	26.5
66.26027	1.6
69.03458	3.2
69.15015	15.7
71.01379	11.3
73.02943	3.4
81.03458	8.7
83.01378	11.8
83.05015	2.0
85.02950	4.1
89.02444	12.5
89.17859	1.7
93.03439	4.9
95.01408	2.3
95.05016	7.5
96.96026	2.2
97.02962	4.2
98.20667	3.9
99.04504	8.1
101.02437	5.7
107.05019	1.7
109.02936	8.3
110.86507	1.6
113.02444	3.5
113.06088	2.5
119.03518	3.7
121.02943	3.3
123.04539	2.6
125.02449	64.6
126.02769	2.4
135.04482	1.9
137.02441	63.0
139.04001	4.4
149.02449	1.9
149.04572	14.7
150.04901	4.6
151.03999	11.2
151.05023	2.6
159.04469	2.1
161.02432	1.9
163.00331	2.8
163.03973	3.3
164.01141	7.9
165.01938	21.6
165.04088	2.6
167.02176	3.1
167.03508	42.2
173.06036	4.7
177.01981	2.6
179.03455	7.2
179.05450	1.7
181.05042	9.8
183.04457	1.9
185.06097	5.3
187.04100	2.5
188.04704	2.4
189.05573	5.6
195.04649	2.0
197.06099	1.9
198.03249	3.5
199.04073	2.5
201.05554	13.1
202.06345	2.1
207.13850	5.7
211.04027	6.2
212.04770	4.7
213.05627	20.6
214.02660	4.1
215.03543	11.8
216.04169	2.4
217.05067	6.5
223.03987	3.1
223.13155	1.8
225.05605	8.5
227.03447	9.6
228.04192	1.9
229.05023	24.4
231.06563	7.9
235.03957	2.1
239.03450	2.9
239.07118	2.1
240.04272	3.8
241.05067	99.0
242.02234	3.7
242.05496	4.8
243.02931	8.4
244.03799	1.7
251.03470	3.7
251.07285	2.8
251.12852	11.8
253.05058	11.5
254.05722	3.9
255.02930	9.9
255.06583	2.1
256.03717	4.0
257.04526	37.5
258.04968	3.6
259.06006	6.2
265.05151	5.7
266.05737	1.8
267.06662	3.0
269.04556	36.3
269.07886	2.7
269.13956	9.6
270.05060	2.4
271.06015	2.2
275.07147	3.1
278.05759	2.2
279.06555	4.7
280.03601	2.8
281.04510	16.1
281.08017	3.4
284.03198	19.6
285.03867	5.0
287.05679	5.0
291.06726	3.8
292.07138	2.0
293.04437	4.8
293.08221	2.0
295.05872	3.0
297.07626	3.6
305.08344	2.2
307.05966	1.9
309.07678	3.1
311.09042	2.8
319.06003	2.7
321.07715	5.0
333.07681	4.8
335.09128	2.4
337.07010	3.3
339.08609	2.3
345.07526	2.5
347.05771	1.9
351.08603	2.6
355.08109	2.8
361.07117	4.8
363.08829	3.8
365.06424	2.7
377.06757	3.4
379.08167	13.7
381.09924	3.8
383.07574	2.3
389.06583	9.8
391.08127	2.3
395.07587	11.1
397.09442	8.0
401.06839	3.5
401.18176	5.0
407.07654	16.7
419.07645	5.2
424.07867	3.6
425.08740	18.4
431.17874	9.2
431.22974	7.2
477.11633	4.4
479.09967	2.0
501.12167	2.7
519.12927	6.1
527.10156	3.2
545.11017	15.2
563.12134	100.0
563.22791	19.2
564.12579	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03444	1.8
58.60430	0.4
59.01377	3.2
60.23846	0.4
61.98834	3.1
68.63037	0.3
69.03459	1.2
69.63351	1.9
71.01369	3.2
72.99308	33.2
73.02956	0.8
74.17504	0.4
83.01393	0.8
85.02957	1.7
87.00855	0.8
89.02438	1.4
93.03466	2.3
95.01405	0.6
96.95972	0.4
99.00892	0.8
99.04526	0.4
101.02441	1.5
107.82524	0.4
109.02945	0.8
111.00883	0.5
113.02448	5.2
117.03467	1.6
119.05025	100.0
120.05357	2.2
121.02955	25.0
122.03273	0.4
123.04483	0.6
125.02414	0.8
129.01949	0.4
131.03508	1.0
132.05830	0.5
137.02473	0.9
145.02946	4.9
151.03990	0.5
159.03035	0.4
161.04588	0.5
162.03227	1.8
163.04004	75.1
164.04297	2.4
169.01552	0.4
173.04526	1.3
173.05934	0.4
178.86235	0.4
191.05579	1.0
219.06583	1.3
227.12888	0.8
229.14465	0.5
236.03264	0.6
277.07144	3.7
307.08167	1.7
325.09195	1.5
337.09470	0.9
367.10056	0.5
381.08453	0.5
399.23853	0.6
429.21304	0.6
439.12418	36.0
440.12845	2.5
561.16077	14.1
561.32416	2.5
562.16486	0.8
582.60944	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33162	0.8
57.03444	3.3
59.01382	6.0
61.82492	0.8
69.03455	0.8
70.80793	0.8
71.01382	7.3
71.52916	1.3
72.99287	1.0
73.02947	2.7
83.01387	1.0
85.02938	4.4
87.00871	2.5
87.04515	2.5
89.02446	3.2
93.03450	2.4
93.19819	0.9
95.01415	1.4
96.96024	1.2
99.00879	2.9
101.02437	3.5
103.00379	1.0
108.02175	38.8
109.02979	15.8
111.00863	1.9
113.02441	4.5
117.03591	0.9
119.04951	1.2
121.02972	1.4
123.00854	0.9
123.04530	2.1
125.02432	2.8
129.01981	1.1
131.03482	1.9
133.03029	1.3
135.04514	1.4
137.02530	1.6
149.02415	1.0
151.04018	2.7
152.01151	80.0
153.02007	5.2
153.03021	0.8
161.02402	3.0
161.04567	2.6
161.05884	0.9
163.03951	4.1
163.66713	0.9
165.01884	1.0
167.07077	0.8
173.04530	3.0
177.01947	1.0
179.03482	1.3
191.05562	3.3
203.07141	1.4
205.05040	1.7
207.03061	1.0
255.06726	1.0
289.07166	6.2
315.07236	1.9
343.12964	1.4
387.16592	4.6
409.09323	1.9
429.09802	1.2
447.11444	100.0
448.11835	5.5
473.16562	2.6
561.14441	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.4
59.01384	9.9
61.31553	1.3
71.01384	8.0
71.52819	1.8
72.99300	4.2
81.95338	1.2
83.01396	2.1
84.93861	2.3
85.02956	3.1
87.00893	2.4
89.02439	2.8
93.03481	2.6
94.04878	1.3
96.96015	81.3
97.02903	1.3
97.06537	1.4
97.95954	1.7
98.95594	66.0
98.96422	10.6
99.00860	2.5
99.92589	100.0
100.92692	2.0
100.93355	9.2
101.02408	2.0
109.02956	2.4
111.00901	3.9
113.02426	2.3
114.94889	1.7
115.92080	88.2
116.92864	86.8
117.92844	1.7
124.93329	1.5
125.02432	1.5
126.94957	1.8
127.00385	2.0
137.02477	1.6
142.94427	14.4
149.04590	1.4
156.92351	7.0
161.02391	2.4
169.93118	2.8
170.93942	13.4
173.04471	2.4
184.95451	3.9
186.93393	2.5
191.05629	1.9
196.95427	4.5
198.93275	1.7
210.75763	1.3
211.94122	2.0
236.19185	1.3
240.94516	14.4
255.02921	6.2
256.93884	6.7
257.94757	17.9
258.95490	39.4
259.95682	1.7
274.95050	4.4
283.02560	2.0
284.03201	2.5
285.04102	7.9
289.07199	5.5
295.06256	1.4
338.95926	8.5
354.95987	1.4
366.95474	15.6
367.96213	4.7
368.96939	3.5
379.96280	6.2
380.96713	1.9
381.05899	1.4
384.96695	4.5
396.96936	1.4
409.09067	1.9
409.96918	1.9
415.16113	2.6
429.17270	2.0
463.07724	2.1
480.75165	1.5
481.99554	3.2
498.99835	3.3
499.55124	1.5
524.98016	1.9
542.98737	86.2
543.99066	8.6
560.99792	34.9
561.20850	4.1
562.00000	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	560.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99409	0.2
53.34993	0.2
57.03448	0.5
59.01379	2.1
61.98830	100.0
68.99573	0.3
69.03457	0.6
71.01372	1.5
71.53233	0.3
73.02972	0.3
74.88259	0.2
74.88684	0.2
77.64159	0.2
78.95923	0.4
83.01384	0.3
85.02973	0.5
87.00891	0.3
89.02465	0.7
93.03477	0.5
95.01413	0.2
96.96034	0.8
97.02963	0.7
99.00876	0.3
99.92516	0.3
101.02466	0.8
109.02962	1.4
111.04547	0.4
113.02460	0.5
116.92861	0.3
119.05050	0.6
123.00901	0.7
123.04551	0.3
124.01688	0.8
125.02448	3.3
131.67513	0.2
136.61127	0.2
137.02449	2.0
138.03232	1.7
139.03995	1.6
149.04608	0.3
151.00348	0.3
159.04594	0.2
161.02449	0.5
163.00441	0.3
163.04062	0.5
164.01172	0.7
165.01953	2.9
167.03502	1.3
170.02200	0.4
173.04613	0.5
175.04057	0.4
177.02016	0.7
177.05559	0.5
178.99911	0.4
179.03549	0.5
185.00951	0.3
191.03612	0.3
191.05682	0.6
203.03520	0.7
204.04382	0.3
204.59610	0.2
218.05937	0.2
219.06551	1.5
220.29994	0.2
221.04506	1.1
247.02199	0.3
250.87363	0.2
270.05005	0.2
317.17752	0.9
329.17596	0.6
357.17102	1.0
371.18857	0.9
453.22852	0.5
497.21814	22.7
498.22226	1.7
501.30682	0.3
518.62817	0.2
560.30969	0.4
561.29486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99409	0.2
53.34993	0.2
57.03448	0.5
59.01379	2.1
61.98830	100.0
68.99573	0.3
69.03457	0.6
71.01372	1.5
71.53233	0.3
73.02972	0.3
74.88259	0.2
74.88684	0.2
77.64159	0.2
78.95923	0.4
83.01384	0.3
85.02973	0.5
87.00891	0.3
89.02465	0.7
93.03477	0.5
95.01413	0.2
96.96034	0.8
97.02963	0.7
99.00876	0.3
99.92516	0.3
101.02466	0.8
109.02962	1.4
111.04547	0.4
113.02460	0.5
116.92861	0.3
119.05050	0.6
123.00901	0.7
123.04551	0.3
124.01688	0.8
125.02448	3.3
131.67513	0.2
136.61127	0.2
137.02449	2.0
138.03232	1.7
139.03995	1.6
149.04608	0.3
151.00348	0.3
159.04594	0.2
161.02449	0.5
163.00441	0.3
163.04062	0.5
164.01172	0.7
165.01953	2.9
167.03502	1.3
170.02200	0.4
173.04613	0.5
175.04057	0.4
177.02016	0.7
177.05559	0.5
178.99911	0.4
179.03549	0.5
185.00951	0.3
191.03612	0.3
191.05682	0.6
203.03520	0.7
204.04382	0.3
204.59610	0.2
218.05937	0.2
219.06551	1.5
220.29994	0.2
221.04506	1.1
247.02199	0.3
250.87363	0.2
270.05005	0.2
317.17752	0.9
329.17596	0.6
357.17102	1.0
371.18857	0.9
453.22852	0.5
497.21814	22.7
498.22226	1.7
501.30682	0.3
518.62817	0.2
560.30969	0.4
561.29486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3257
Annotation	Montanin
Peak:m/z	Relative Intensity
56.11760	1.0
57.03456	2.4
58.09335	1.2
59.01384	11.6
61.98830	10.4
67.59161	1.0
71.01394	4.2
73.02958	2.0
75.00861	1.2
79.07508	1.1
83.01404	2.4
85.02960	4.5
87.00900	2.1
89.02436	3.4
91.01882	1.0
93.03466	3.3
94.98100	1.2
96.96015	7.5
101.02461	4.7
108.25228	1.2
109.02975	1.7
113.02459	7.1
119.05044	1.9
125.02417	2.9
135.02995	2.3
137.02463	2.5
151.00342	1.7
163.04095	2.6
171.10112	1.3
173.04559	4.1
173.05940	1.1
175.02603	1.9
175.04048	2.2
191.05632	1.4
269.04553	12.4
270.05157	1.7
274.58969	1.1
299.05820	1.3
347.16125	1.1
383.11520	1.8
421.09357	1.3
445.08078	1.8
499.29327	1.8
519.43622	1.2
521.33282	3.2
523.34845	25.2
524.35339	2.4
559.32471	100.0
560.33081	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	560.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34501	0.2
59.01386	1.5
60.99280	0.2
61.98830	100.0
71.01382	0.4
71.53505	0.2
85.02955	0.3
87.00923	0.3
93.03474	0.7
95.01435	0.2
96.96023	0.4
99.92596	0.3
101.02483	0.4
104.71922	0.2
109.02994	0.4
113.02459	0.4
115.92094	0.5
116.92896	0.6
121.02941	0.2
124.01672	0.3
125.02462	1.4
127.76243	0.2
137.02470	0.9
138.03270	0.6
139.04053	0.6
163.04005	0.3
164.01218	0.3
165.01927	1.2
167.03526	0.5
171.10307	0.2
173.04565	0.4
175.02534	0.6
177.01947	0.5
179.03502	0.3
219.06650	0.3
221.04617	0.3
317.17816	0.6
329.17795	0.5
333.37518	0.3
357.17444	0.4
399.14325	0.3
497.21848	7.9
498.22214	0.6
542.99243	0.4
560.31689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22114	0.2
55.53260	0.2
58.00722	0.2
60.13941	0.2
61.01609	0.3
61.98831	100.0
78.43785	0.2
84.47781	0.2
98.20668	0.6
177.51282	0.2
229.47714	0.3
398.52008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.0398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69964	0.1
57.07352	0.1
58.88655	0.1
59.01370	0.2
60.23103	0.1
69.27290	1.0
71.01386	0.2
72.26694	0.1
74.34358	0.2
75.42220	0.1
79.95743	2.5
93.03472	0.2
96.96011	100.0
97.93150	0.3
98.20654	0.3
99.00887	0.2
113.02474	0.2
113.92634	0.2
114.93412	0.3
133.02971	0.2
151.00340	0.2
231.15996	0.2
285.04025	3.9
285.07108	0.2
286.04370	0.2
461.07275	2.1
462.07761	0.2
540.98969	0.2
559.20544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.5
61.98829	100.0
70.36868	0.6
78.95913	1.5
87.79272	0.3
88.72590	0.3
96.96040	0.4
152.99617	0.9
211.13385	2.4
219.98924	0.3
251.70059	0.3
307.37158	0.3
337.97913	0.3
347.12799	0.8
365.13754	0.4
471.68796	0.3
559.27698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
75.47319	0.2
78.27464	0.2
78.95926	0.7
94.93691	0.2
95.84663	0.2
98.19932	0.7
106.83951	0.2
113.06132	0.2
116.92894	0.4
126.72363	0.2
141.42499	0.2
146.37292	0.2
195.19807	0.2
198.85223	0.3
206.09428	0.3
206.29668	0.2
255.23285	1.8
256.23660	0.5
280.06812	0.2
408.63535	0.2
480.30984	1.3
483.32202	0.7
557.32275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.31
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
50.67881	2.2
50.90853	2.2
53.22565	2.2
57.03452	6.0
59.01376	24.8
61.98827	30.8
69.19656	11.4
69.20077	10.6
71.01368	14.5
73.02950	5.4
85.02970	5.8
87.00885	6.9
89.02452	11.2
93.03471	6.5
96.96019	6.7
98.20678	4.3
101.02474	5.2
113.02458	3.3
119.03504	2.8
119.04962	3.7
123.04519	2.1
125.02469	7.2
135.00926	2.9
137.02449	5.2
139.04044	3.1
149.04619	2.9
163.04007	3.1
167.03549	3.6
173.04645	5.6
174.01669	3.1
175.02461	2.6
179.05516	2.6
191.05563	11.8
195.06683	2.6
212.57298	2.4
271.06277	3.2
285.17108	6.7
289.07275	4.6
353.10477	3.0
369.05890	3.1
381.09985	8.3
497.28015	6.0
519.31799	3.9
521.33276	31.6
522.34186	2.9
557.13104	5.6
557.31097	100.0
558.31531	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	557.3099
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
57.03428	1.3
59.01379	8.4
61.98824	4.2
65.28313	1.0
69.20380	3.6
69.20798	6.2
70.09018	1.1
71.01378	4.5
73.02946	1.7
78.00813	1.0
85.02939	2.6
89.02454	3.0
93.03450	2.3
99.00911	1.4
101.02472	2.9
113.02465	3.3
115.92039	1.3
116.92864	3.8
119.03515	1.2
123.82246	1.1
125.02456	2.4
127.00417	1.0
137.02386	1.3
144.82350	1.0
149.02449	2.2
149.04553	1.5
155.02415	1.0
163.04027	1.3
170.75511	1.0
173.04567	2.0
181.03447	1.1
205.12219	1.1
221.39420	1.1
423.81976	1.3
521.33295	35.8
522.33887	2.3
557.30975	100.0
558.31348	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	557.31
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
57.03434	1.8
59.01383	10.6
61.98823	6.1
65.97620	1.4
69.20102	6.4
69.20524	6.4
71.01385	5.9
73.02952	1.5
85.02941	2.1
87.00878	1.7
88.98805	3.6
89.02426	3.0
92.50928	1.4
96.96027	2.4
101.02434	2.9
113.02528	1.4
116.92833	1.5
119.03511	1.3
122.73206	1.3
137.02425	1.7
149.02502	2.5
161.04601	1.5
165.05630	1.6
166.06358	2.5
173.04559	1.6
191.05595	1.5
201.15103	1.5
235.39508	1.3
281.01358	1.5
306.53238	1.4
307.82446	1.4
497.28207	1.5
509.21765	2.1
521.33307	35.9
522.33521	3.1
554.66974	1.5
557.30975	100.0
558.31580	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	557.31
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
54.03097	1.2
57.03434	2.6
59.01377	10.1
61.98829	12.2
63.02390	1.4
69.20422	10.6
69.20834	1.5
71.01378	5.7
72.25113	1.1
72.50343	1.2
73.02942	2.7
81.03442	1.5
85.02944	2.8
87.00882	2.2
88.98830	1.9
89.02422	3.3
93.03440	2.9
96.96034	2.4
101.02435	4.1
109.02979	1.6
113.02436	3.9
116.92848	2.8
125.02437	2.5
134.00816	1.3
135.00851	3.5
135.04521	4.4
146.56120	1.5
151.00415	2.2
154.33972	1.1
173.04579	1.8
178.99831	1.6
179.03464	2.6
191.05600	8.8
192.06100	2.3
268.32635	1.3
335.22000	2.9
381.09793	5.6
401.17877	1.7
425.17899	2.3
480.44992	1.5
497.27325	2.5
519.32306	1.8
521.33258	25.7
522.33282	1.5
557.22070	4.9
557.30884	100.0
558.31122	6.1
558.54303	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	557.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73400	0.3
57.03447	0.4
59.01381	1.3
61.98833	0.7
62.26904	0.3
69.58324	0.9
69.58735	1.2
71.01383	1.2
73.02950	0.3
75.00902	0.3
83.01406	0.7
85.02985	0.7
88.98772	0.4
89.02467	0.3
93.03478	0.4
95.01402	0.5
98.20630	0.5
101.02451	0.4
109.03004	0.4
113.02509	0.5
119.05031	1.4
122.93537	0.3
125.02478	0.8
125.06071	0.8
135.04544	0.7
137.02440	0.4
145.06517	0.3
147.04488	0.4
149.02441	0.7
149.06078	0.3
151.96930	0.3
158.85469	0.4
159.04535	0.4
161.02370	0.4
161.06139	0.3
163.04037	1.3
165.01881	0.3
167.03542	1.3
168.03946	0.3
173.04623	0.3
175.03996	1.0
177.01959	0.6
177.05516	0.5
179.03487	0.4
189.01880	0.5
191.03519	1.3
191.05319	0.4
203.03485	0.7
215.03548	0.5
217.05075	1.2
218.05841	1.5
231.06610	11.8
232.07391	11.9
233.04564	0.4
233.08060	0.6
241.05157	0.4
241.46381	0.4
244.07433	0.5
245.08165	1.3
246.08870	0.7
247.09740	2.9
257.08231	0.4
257.11682	0.4
259.06104	0.8
259.09711	2.0
260.10526	1.3
261.11313	15.7
262.11740	0.7
271.06174	0.4
271.09726	1.7
272.07065	0.4
273.11328	1.5
275.09238	5.5
287.09219	2.7
288.09967	0.7
289.10785	9.5
290.11240	0.5
292.09525	3.7
299.09277	1.4
301.10861	2.8
305.10275	0.5
311.09366	0.6
315.08829	0.6
317.10281	50.1
318.10641	2.5
319.11777	0.8
320.08969	0.9
321.67844	0.3
329.10284	5.5
347.11337	24.4
348.11749	1.3
359.11337	3.0
361.13043	0.5
377.12411	1.6
389.12518	1.0
401.12613	0.5
437.14468	10.0
438.15024	1.0
467.15494	2.2
539.17529	0.6
557.18707	100.0
558.19049	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	555.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78314	0.7
59.01378	100.0
61.98820	3.3
68.29421	0.7
69.86575	0.9
71.08649	2.1
76.00745	0.9
83.05047	1.2
92.54704	0.8
101.33545	0.8
171.10291	1.5
175.15837	0.9
183.13872	2.4
185.42171	1.0
188.51097	0.8
190.83897	0.8
193.12274	1.0
209.11815	31.6
211.13387	45.2
212.13747	1.5
227.12900	3.5
234.22890	0.8
249.14952	1.5
260.96619	0.8
318.20984	0.8
357.74014	0.8
375.25159	0.8
400.85666	0.9
459.27451	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
61.98832	100.0
71.01401	0.4
71.52952	0.4
78.95914	1.3
101.02448	0.3
116.92932	0.3
152.99612	0.9
162.33244	0.3
200.31093	0.4
219.69751	0.3
221.21959	0.3
225.23346	0.3
227.12997	0.3
271.27679	0.4
331.19363	0.4
335.22421	1.0
393.60089	0.3
556.28857	0.5
557.25092	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	556.24
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
59.01378	1.9
61.98831	100.0
69.53085	0.3
69.53493	0.5
71.01392	0.6
73.02924	0.2
85.02961	0.2
87.00880	0.2
89.02454	0.7
96.96036	0.2
98.19962	0.3
101.02451	0.3
109.02974	0.2
113.02460	0.4
116.80469	0.1
119.03542	0.3
120.35017	0.1
125.02432	1.0
131.68677	0.1
137.02451	0.2
146.37096	0.1
149.04585	0.1
152.04979	0.1
153.01967	0.4
159.68835	0.1
161.02458	0.2
161.04585	0.2
169.01489	0.2
179.05661	0.3
182.81609	0.2
185.00951	0.2
225.56923	0.1
269.04474	0.2
269.14056	0.5
313.23828	0.2
332.19681	0.4
333.20090	0.2
334.20288	0.4
442.95117	0.1
493.30661	0.2
556.29712	0.3
557.30200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77946	0.5
57.03440	0.8
59.01377	4.3
61.98830	12.3
71.01376	1.5
71.54233	0.8
73.02943	0.5
87.00872	1.4
88.98804	0.6
89.02449	1.4
91.01896	1.5
93.03450	1.0
96.95992	1.3
98.95617	0.6
101.02428	0.7
109.02940	1.9
113.02495	0.8
125.02447	1.4
135.00897	2.1
137.02420	1.6
145.02847	0.6
146.03804	0.6
147.04504	1.7
149.04581	0.7
151.00352	0.6
153.01935	6.8
161.02406	0.8
185.11810	0.6
187.86234	0.5
197.02171	0.8
199.23604	0.6
209.08197	1.2
264.04614	0.8
281.04358	1.1
309.24429	0.8
311.22406	1.0
313.10806	1.5
327.25412	5.2
333.20523	0.6
339.08682	1.7
339.25381	1.3
355.24802	0.8
357.26447	100.0
358.26822	6.2
449.12213	1.0
493.11331	1.7
495.25940	1.2
555.09741	1.5
555.29352	14.4
556.29883	0.8
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
59.01373	0.7
59.50363	0.3
61.98811	0.5
63.96241	0.8
66.77174	0.2
69.03458	0.5
71.01380	6.1
71.40405	0.4
73.02945	1.1
78.98595	5.0
79.95728	8.3
80.96515	57.3
81.03465	0.6
85.02943	2.7
87.00871	1.9
94.98083	12.6
96.96024	0.6
97.02950	1.1
99.00878	0.4
101.02435	2.2
104.08434	0.3
106.98098	2.3
113.02400	0.4
122.97596	2.2
125.02449	3.0
127.04042	0.7
130.02383	0.3
134.97589	4.1
136.99149	1.0
148.99129	5.6
152.98625	4.9
164.98622	10.3
179.00108	0.4
188.98485	0.4
206.99675	2.5
225.00735	14.3
226.01060	0.5
250.57544	0.3
255.23264	2.1
299.04437	2.8
324.03876	0.3
471.31177	0.3
529.03033	0.3
555.28387	100.0
556.28693	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	555.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
59.01376	3.1
61.98834	9.9
69.59250	3.8
71.01394	1.5
81.03456	0.9
85.02945	1.2
88.98793	1.7
89.02426	1.2
93.03468	4.5
95.01397	1.3
96.96004	0.8
98.19939	1.4
101.02409	0.9
102.38057	0.7
105.03525	0.7
105.63716	0.6
108.02201	0.8
109.02950	1.2
111.04508	1.0
119.38583	0.7
121.02966	9.1
121.03795	1.1
122.03742	11.9
123.04510	1.2
124.01677	0.7
125.02435	1.6
132.02130	1.0
133.02951	3.0
134.03687	0.7
135.04500	1.3
136.01723	1.2
137.02466	1.5
147.04524	1.9
149.02437	55.2
149.04390	1.7
150.03227	66.8
151.03630	1.2
159.04495	1.1
160.05296	1.9
162.03241	0.9
163.03990	2.8
164.04793	13.9
165.05568	64.8
166.05998	2.4
173.04562	1.3
175.07591	1.9
177.05563	1.2
179.07147	1.7
180.04330	4.2
191.05637	1.8
194.09482	0.7
195.06622	42.3
196.06975	1.0
204.34871	0.7
241.08684	1.1
269.08206	3.8
269.11816	2.8
283.09882	1.0
283.13297	0.7
296.10562	1.2
297.11304	9.7
298.08466	0.8
298.11649	0.8
299.09296	2.1
300.09967	1.0
311.09216	3.3
311.13068	1.8
312.10202	1.5
313.10910	0.8
314.11557	4.6
315.12369	2.7
325.10779	2.8
326.11560	2.2
327.12106	1.3
329.13937	16.2
341.13916	7.5
423.16556	0.9
431.14862	3.9
433.16479	4.5
461.15845	1.0
462.16571	4.2
463.17435	1.7
477.19171	15.4
478.19125	1.0
489.19177	2.2
492.17804	2.6
507.20215	100.0
508.20673	7.0
525.21442	1.1
555.22321	8.3
556.23065	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16122	0.4
57.68235	0.4
59.01386	0.5
61.98829	100.0
71.01388	1.2
71.43683	0.6
78.98582	0.9
79.95750	1.8
80.96512	8.6
94.98095	2.0
110.67139	0.4
118.79024	0.4
131.11034	0.4
134.97609	0.5
136.40279	0.4
141.38034	0.4
148.99121	0.5
152.98640	0.8
164.98671	1.7
225.00751	2.0
243.75563	0.4
255.23462	0.6
256.23636	0.7
299.04492	0.4
410.19678	0.4
464.32626	0.5
555.28387	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	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50657	0.3
58.26312	0.3
59.01380	21.1
61.10475	0.3
61.98820	1.3
69.87360	0.3
69.91517	1.2
70.24942	0.3
78.95905	18.1
83.49371	0.3
96.96964	0.3
109.96113	0.2
117.07312	0.3
122.98558	0.4
134.98587	0.3
145.07945	0.3
152.99571	3.2
168.04301	3.2
176.99840	0.2
195.05302	0.3
224.06911	7.9
225.07320	0.3
242.08003	1.7
255.23283	100.0
256.23630	4.5
385.26358	0.3
480.30951	74.0
481.31305	5.6
509.13052	0.3
513.79224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.6
59.10670	0.4
69.31681	3.4
69.32008	0.4
70.91352	0.4
85.02966	1.4
87.00875	100.0
88.01180	0.9
90.97126	0.9
99.19797	0.4
102.94410	1.6
112.01678	0.8
118.96615	2.4
142.96614	7.2
142.97560	2.0
157.27557	0.4
157.96312	0.6
160.97691	2.1
168.99916	0.5
194.96986	4.1
212.98065	93.1
213.98431	1.6
215.93932	0.5
222.13239	0.4
230.98251	4.9
244.99754	2.1
256.99814	0.5
272.99249	7.4
284.99344	0.6
287.00897	1.2
333.01447	1.2
467.07132	2.4
555.09210	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	554.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.2
61.98829	2.4
69.18376	3.2
78.95902	5.6
79.56409	0.4
90.59509	0.4
98.19957	0.9
108.39115	0.3
143.37103	0.4
152.99631	0.7
168.04266	1.2
185.11182	0.4
210.12140	0.6
214.50008	0.4
224.06952	1.1
242.07985	2.5
261.22208	0.6
279.23276	100.0
280.23615	5.3
358.06815	0.4
372.96411	0.4
414.95233	0.4
503.96283	0.4
504.30957	38.7
505.31152	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	554.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.9
61.98831	100.0
67.01346	0.2
69.33224	1.1
71.01392	0.8
73.02951	0.4
75.00879	0.2
78.68140	0.2
80.82065	0.2
83.01414	0.2
85.02969	0.5
88.98835	0.7
89.02466	0.6
93.03476	0.3
97.03004	0.2
101.02462	0.6
109.02997	0.2
112.27491	0.2
113.02468	0.5
119.03560	0.2
125.02458	0.7
131.03506	0.2
137.02486	0.4
173.04593	0.3
178.84953	0.2
196.23615	0.2
225.05701	0.3
226.02710	0.4
227.32173	0.2
243.03041	0.3
270.01767	0.3
271.02536	0.7
271.05875	0.2
285.03897	0.8
289.07297	0.4
299.02087	0.5
313.03488	1.3
314.04367	0.4
328.05963	0.4
446.08035	0.3
453.81894	0.2
461.07568	0.8
476.09686	1.2
491.11935	6.3
492.12463	0.4
553.25580	0.8
554.26770	3.1
574.12677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
61.98822	3.8
62.03600	0.7
71.52596	0.7
78.84190	0.7
78.95909	22.5
93.34182	0.8
152.99564	3.4
168.04347	3.5
183.19333	0.7
224.06921	8.9
242.07924	1.8
279.23282	100.0
280.23654	4.5
349.18201	0.9
504.30981	81.6
505.31488	6.6
570.29944	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
59.01365	3.1
61.98825	10.0
71.01388	1.3
71.53802	0.9
77.10759	0.7
81.31202	0.7
85.02942	1.2
89.02442	1.2
91.80461	0.7
96.95988	1.6
101.02430	0.8
109.02888	0.7
125.02450	1.9
125.09734	1.2
127.80485	0.7
137.02502	1.4
167.03461	1.0
169.01491	1.3
185.43491	0.7
199.28510	0.7
209.08112	0.7
217.06645	1.0
249.88086	0.7
287.05566	0.8
299.56030	0.7
325.23813	7.8
329.04636	0.7
331.19034	1.5
336.79489	0.7
337.23801	1.1
353.23398	1.1
355.24866	100.0
356.25177	6.1
507.35165	1.0
553.14661	0.8
553.27917	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	553.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15165	0.3
57.03442	0.9
58.00585	0.4
59.01379	20.3
61.98833	2.9
69.03443	0.4
70.54196	0.5
71.01379	2.4
72.99300	0.2
78.95898	0.9
81.07097	2.3
83.01353	0.3
83.05035	0.3
85.02950	1.0
87.00883	0.3
88.98808	0.4
89.02455	1.8
93.03451	0.5
95.05042	0.7
97.06592	1.1
101.02448	3.2
105.01894	0.3
109.02936	0.3
110.41536	0.3
113.02450	1.5
119.03502	2.4
119.05021	0.4
119.08673	0.6
121.06577	1.9
121.10207	0.4
122.03769	0.3
123.00816	0.3
123.04549	0.3
123.08179	0.7
125.02427	1.1
133.06503	0.3
134.07394	0.4
135.04510	0.5
135.08162	7.6
137.02422	0.8
137.09726	1.0
138.03181	0.4
147.08170	0.4
149.06052	0.5
149.09721	5.8
152.99577	0.4
161.02426	0.3
161.04530	0.5
161.13336	0.3
163.03964	0.4
163.07593	0.5
165.01910	0.5
171.10229	0.6
187.26515	0.3
189.09210	0.3
191.05638	0.5
191.10751	2.8
194.98859	0.2
201.12766	0.7
203.10706	2.4
209.11821	0.4
225.16510	0.4
227.14282	0.3
251.14388	4.4
251.17337	0.3
251.18044	0.2
252.15009	0.4
262.80939	0.3
267.17563	5.6
268.18030	0.3
269.18979	1.2
285.18585	10.1
286.18954	0.5
287.20010	0.4
311.20187	0.7
329.21188	0.4
331.19125	100.0
332.19485	5.9
341.21353	0.3
345.20557	0.6
373.20197	3.4
403.21158	0.8
553.26404	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.354
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.01685	0.2
70.37910	0.7
75.99692	0.2
79.28613	0.3
95.72224	0.2
118.44513	0.3
197.00261	0.2
445.09198	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
68.21118	0.8
68.36108	0.8
126.45736	0.8
147.65224	0.7
159.08359	0.8
196.31416	0.8
204.06755	0.8
229.49507	1.3
413.93497	1.0
521.89423	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
59.01366	2.7
59.92073	0.8
60.99007	1.4
60.99304	17.9
64.72323	0.8
71.01365	1.0
71.52921	1.0
72.84297	0.7
83.01380	1.3
85.02966	1.7
88.98808	95.3
89.02407	1.1
89.99165	1.0
93.03407	1.0
103.24525	0.8
106.38097	0.9
108.02190	1.3
117.38379	0.9
123.70835	1.0
127.32288	0.9
145.85674	0.8
151.00409	5.1
162.46432	0.8
163.00401	1.6
178.99893	4.5
191.01909	1.5
233.06778	0.9
237.49159	0.9
243.02960	5.8
254.02359	1.1
255.02997	15.3
271.02469	35.0
272.02911	1.5
287.04898	0.9
300.02744	76.0
301.03482	28.1
302.03842	1.6
463.08820	100.0
464.09085	7.5
509.42236	1.2
553.21588	2.5
553.32294	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43295	0.6
53.38848	0.5
59.01379	12.7
61.98818	2.0
71.01383	2.6
71.53278	0.6
73.02947	1.1
82.64548	0.6
89.02450	3.0
90.60191	0.5
101.02470	2.7
113.02463	1.2
119.03522	1.0
161.04553	1.5
235.08252	2.8
248.84747	0.5
253.09293	12.3
255.23291	100.0
256.23621	4.1
343.03241	0.6
491.32309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56106	0.7
58.30176	0.6
59.01370	2.0
61.98827	2.4
70.78481	1.6
78.95900	6.7
86.37306	0.7
142.71028	0.8
152.99554	1.6
168.04251	1.6
233.74706	0.7
242.08005	3.5
277.21704	100.0
278.22009	4.2
502.29388	45.8
503.29889	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2629
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
53.64679	2.6
54.12143	2.7
59.01381	14.3
61.98837	27.8
65.90039	2.9
69.41885	13.7
70.83100	2.7
71.01385	13.1
73.02910	4.1
78.95899	7.2
82.22163	2.5
85.02927	5.7
89.02407	5.1
101.02405	9.5
113.02445	5.0
161.04521	3.8
171.10249	9.0
198.65747	2.9
211.13358	6.9
285.04025	11.3
304.39322	3.0
461.06702	3.3
496.45831	3.0
515.28711	55.2
516.28839	4.8
551.17975	5.2
551.26233	100.0
552.26782	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	551.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	31.5
61.98834	100.0
66.61453	13.0
71.05843	18.5
71.06187	16.6
78.47259	12.7
78.83260	15.2
100.94924	15.1
112.03809	14.6
186.76520	13.3
208.79660	15.0
211.37675	13.4
285.03918	28.9
461.07230	27.3
551.30139	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	551.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05219	0.5
51.57557	0.4
57.25150	0.4
59.01379	14.9
61.98817	1.3
64.19410	0.4
71.01386	2.9
73.02939	1.1
85.02955	1.0
85.46554	0.5
89.02449	2.1
101.02451	2.7
113.02409	1.0
119.03506	1.2
121.96516	0.5
132.73715	0.4
161.04521	1.3
204.10416	0.5
235.08220	2.8
253.09296	12.4
255.23282	100.0
256.23633	4.6
285.03989	0.8
307.18848	0.5
422.39383	0.5
491.32239	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34569	1.0
57.03434	2.7
59.01379	24.0
60.99310	6.9
61.98830	1.3
69.03440	1.3
69.19514	2.5
69.19920	6.9
71.01378	14.5
71.06625	1.0
72.99300	1.9
73.02941	3.4
75.00855	1.1
83.01383	1.2
83.05032	1.4
85.02957	8.9
87.00845	1.4
88.98803	43.5
89.02448	15.0
89.73298	0.9
93.03465	1.0
95.01418	1.3
101.02444	11.2
108.68498	0.9
111.08138	2.0
113.02450	9.8
116.92825	2.8
119.03516	5.0
125.02454	2.3
131.03523	1.3
143.03520	1.3
149.04552	1.4
154.25310	1.0
161.04533	3.6
165.12839	28.1
179.05589	4.2
183.13892	64.6
191.02055	1.4
197.15443	1.9
200.73088	0.9
201.11244	1.2
207.13895	3.3
209.11864	2.1
219.13918	1.3
225.14836	1.2
227.12877	100.0
228.13181	4.2
237.15024	1.4
241.14484	1.7
251.12912	11.7
263.12872	2.0
265.14392	1.5
269.13858	4.0
281.13940	3.0
285.03970	2.2
293.13959	6.2
299.15155	1.9
305.06577	1.7
311.14963	1.6
329.16190	4.9
336.18338	1.0
389.18188	20.6
389.23312	1.4
389.25479	1.5
425.42352	1.3
491.63651	1.2
551.22974	1.7
551.30737	15.8
552.30945	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34569	1.0
57.03434	2.7
59.01379	24.0
60.99310	6.9
61.98830	1.3
69.03440	1.3
69.19514	2.5
69.19920	6.9
71.01378	14.5
71.06625	1.0
72.99300	1.9
73.02941	3.4
75.00855	1.1
83.01383	1.2
83.05032	1.4
85.02957	8.9
87.00845	1.4
88.98803	43.5
89.02448	15.0
89.73298	0.9
93.03465	1.0
95.01418	1.3
101.02444	11.2
108.68498	0.9
111.08138	2.0
113.02450	9.8
116.92825	2.8
119.03516	5.0
125.02454	2.3
131.03523	1.3
143.03520	1.3
149.04552	1.4
154.25310	1.0
161.04533	3.6
165.12839	28.1
179.05589	4.2
183.13892	64.6
191.02055	1.4
197.15443	1.9
200.73088	0.9
201.11244	1.2
207.13895	3.3
209.11864	2.1
219.13918	1.3
225.14836	1.2
227.12877	100.0
228.13181	4.2
237.15024	1.4
241.14484	1.7
251.12912	11.7
263.12872	2.0
265.14392	1.5
269.13858	4.0
281.13940	3.0
285.03970	2.2
293.13959	6.2
299.15155	1.9
305.06577	1.7
311.14963	1.6
329.16190	4.9
336.18338	1.0
389.18188	20.6
389.23312	1.4
389.25479	1.5
425.42352	1.3
491.63651	1.2
551.22974	1.7
551.30737	15.8
552.30945	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.0
58.00603	1.2
59.01378	16.7
61.98825	1.4
69.03445	1.4
70.10398	0.9
70.48564	1.6
71.01006	1.5
71.01379	15.8
72.99340	0.9
73.02943	5.3
75.00868	1.5
75.81819	0.7
83.01392	1.5
85.02943	5.0
87.00861	6.7
87.83180	0.8
89.02438	10.1
93.03463	1.6
95.01379	1.1
97.02882	0.9
99.00948	1.3
101.02437	12.1
111.08150	2.6
113.02443	7.4
116.92843	1.0
119.03490	1.9
119.05011	3.4
121.02901	0.7
125.02451	1.8
143.03482	0.9
149.04570	1.2
161.04547	2.3
163.04015	2.9
165.12840	37.6
166.13142	1.0
167.14459	2.0
179.05577	1.9
179.14354	1.1
183.13893	100.0
184.14182	2.7
195.13934	1.7
197.11803	0.7
197.15459	15.9
207.13885	5.4
209.11826	10.0
210.12325	0.7
225.14946	9.4
227.12871	91.8
228.13219	3.3
241.14424	1.1
251.12871	2.0
269.13947	12.9
285.04163	1.6
297.65131	0.7
299.14993	8.5
329.16052	33.8
330.16299	1.5
341.10901	2.6
345.20407	1.4
371.17303	1.2
389.18161	79.0
390.18604	3.6
461.06845	1.0
466.80701	0.9
510.16245	0.9
551.23450	68.5
552.23730	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	551.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39445	0.6
57.03456	2.6
59.01380	100.0
69.90814	3.3
71.01399	2.0
73.02963	1.2
85.02950	1.9
87.00874	9.5
88.98826	1.9
89.02451	2.6
93.03469	1.4
96.96061	0.7
97.06613	1.3
99.04512	3.4
101.02451	1.0
103.04058	0.9
113.02444	0.9
116.92874	1.9
125.02478	1.2
131.03465	0.7
137.02478	1.1
149.04533	5.2
151.00418	1.6
165.12891	2.4
167.03549	0.8
175.04123	1.0
183.13855	0.8
190.06416	1.4
191.05585	0.9
191.07118	1.3
191.45612	0.7
197.47957	0.8
202.40538	0.7
207.13887	5.6
208.07405	1.3
209.11787	12.2
209.13554	1.2
225.14989	9.0
227.12885	62.8
228.13184	2.4
243.03098	1.0
245.03735	1.1
251.12946	2.1
255.03006	2.1
256.03397	1.2
257.03558	1.4
269.13953	15.4
271.02484	3.7
272.02869	2.5
273.03052	3.0
285.04056	7.3
287.15002	91.7
288.15326	3.7
300.02701	5.9
301.03192	5.5
302.03342	7.5
303.03983	1.2
359.14969	7.7
401.18369	0.9
413.10803	1.2
419.19208	57.4
420.19455	4.1
461.07300	3.3
491.19147	1.3
505.10403	0.8
507.10535	11.1
508.10425	1.2
519.12341	0.9
551.23431	66.4
551.29846	3.5
552.23730	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	551.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70827	0.5
53.38397	0.5
57.03438	1.7
59.01384	3.3
64.45879	0.5
67.01864	0.6
69.03446	1.0
69.49599	3.7
71.01384	4.7
73.02953	2.7
73.38321	0.6
75.00881	0.8
76.29292	0.5
81.03444	5.7
83.01394	5.3
83.05051	0.5
85.02930	2.4
87.00896	0.8
88.65373	0.5
89.02453	2.9
93.03457	2.2
95.01386	3.0
95.05010	3.2
97.02962	4.2
98.20708	1.0
99.04527	3.7
101.02439	1.7
107.05047	1.3
109.02940	3.2
111.00900	1.1
111.04533	3.2
113.02463	2.4
117.03457	1.3
119.05082	0.5
121.02926	2.6
121.06592	0.9
123.00858	0.5
123.03635	0.7
123.04533	13.3
124.01672	5.3
124.04810	0.7
125.02446	23.0
125.06059	0.7
131.03481	0.7
135.04533	3.1
137.02441	8.9
137.06076	1.5
138.03188	1.5
139.04021	7.6
147.04491	1.4
149.02438	1.2
149.04549	6.4
149.05830	0.9
151.03969	3.6
153.01970	0.5
153.05562	2.4
155.03455	1.0
159.04509	2.9
161.04599	0.7
163.00339	0.6
163.03996	1.2
164.01041	0.5
165.01978	0.8
165.04237	0.8
165.05496	2.7
166.02574	1.0
167.03499	24.3
168.83708	0.5
173.06140	1.9
177.01927	1.1
178.02650	0.7
179.03473	7.4
181.05058	1.1
189.05519	2.2
191.03502	2.2
191.07130	2.3
193.05040	1.9
195.06761	0.6
197.04561	7.5
197.11708	0.6
201.05734	0.6
203.07147	1.4
206.02312	0.8
207.06622	0.6
209.04547	39.7
210.04898	1.4
212.05093	0.5
221.04570	3.1
227.07179	0.6
239.05592	40.5
240.05983	1.3
241.10825	1.6
251.05598	1.5
253.04971	3.3
256.03745	6.4
263.05573	0.9
269.06638	19.7
271.06149	4.8
274.08469	1.0
281.06635	5.4
283.06149	1.4
285.07782	2.0
285.99155	0.5
286.08447	0.5
293.06726	0.9
295.10687	0.6
296.06851	1.2
297.07657	1.4
299.07623	11.5
300.10355	0.9
311.07593	5.2
313.07202	1.0
313.10855	0.6
314.07928	1.5
316.09500	1.6
326.07950	1.9
327.08707	1.1
328.09415	0.6
329.09262	5.0
341.10413	2.0
343.11826	4.2
344.08932	2.5
357.13580	0.5
359.11362	26.8
360.11746	1.5
371.07559	11.4
372.08032	1.2
373.12823	0.8
374.13687	32.3
375.14047	2.0
383.07898	1.0
389.11279	5.3
389.16037	100.0
390.11365	0.9
390.16342	7.6
401.08743	11.7
402.09030	1.0
403.16226	0.6
419.19058	0.8
431.09634	3.6
443.09796	2.1
448.40256	0.6
461.10864	11.0
462.11411	0.9
473.10867	1.6
488.09317	0.5
491.11990	2.2
533.13177	1.3
551.12750	4.7
551.22028	2.8
564.59271	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38516	1.3
54.98866	1.4
55.01863	1.6
57.03436	6.0
59.01378	13.4
60.37082	1.7
66.19411	1.5
71.01377	10.4
71.04993	1.8
71.10128	3.3
73.02946	5.0
81.03451	14.8
83.01386	13.9
85.02943	6.5
87.00877	1.7
89.02462	5.0
93.01831	1.5
93.03479	8.2
95.01381	4.9
95.05025	9.3
97.02946	13.3
99.00900	1.8
99.04510	7.0
101.02430	5.0
107.05017	3.9
109.02932	8.6
111.00882	2.1
111.04495	6.5
113.02441	8.4
114.40236	1.5
117.03432	2.5
119.05045	2.8
121.02923	5.7
121.06604	2.1
123.04539	30.0
124.01627	1.8
125.02448	59.8
125.06068	3.3
131.03500	1.6
134.03687	2.5
135.04462	5.0
137.02437	21.2
137.06091	3.2
138.03188	3.0
139.03996	6.7
147.04564	3.0
147.50412	1.6
149.02490	3.1
150.03175	1.9
151.03987	8.0
153.05566	1.6
155.03462	4.1
163.04016	3.4
165.01855	3.0
165.05574	5.0
167.03488	53.5
173.04584	2.9
175.03952	2.0
177.01915	4.9
177.05502	3.6
178.02640	2.6
179.03484	16.8
181.05045	4.6
191.03554	3.1
191.05450	2.2
193.04999	5.3
195.02963	1.5
195.06584	4.0
197.04565	25.9
205.04993	1.9
205.36377	1.7
209.04550	84.2
210.04889	3.3
221.04529	7.2
239.05595	100.0
240.05917	2.9
243.12505	1.6
251.05565	7.2
263.05612	2.2
269.06662	54.4
270.06927	2.1
281.06598	12.7
293.06833	2.0
299.07666	27.8
311.07739	15.0
329.08701	13.5
371.07565	30.4
389.10913	18.1
389.15863	2.3
401.08685	27.7
431.09631	11.7
443.09845	8.1
461.04993	2.7
461.10968	33.9
462.11142	1.6
473.10645	3.0
491.11835	8.8
533.13110	3.3
551.13086	16.2
551.26196	2.0
552.13916	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	551.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55820	1.0
55.01873	1.4
57.03446	2.2
59.01381	2.4
66.33006	1.1
69.03434	1.2
69.38083	9.3
71.01382	4.7
73.02940	3.3
81.03451	13.7
83.01379	15.6
85.02943	3.1
85.69859	1.4
93.03463	4.5
95.01392	6.5
95.05038	6.7
97.02957	10.1
99.04519	6.7
107.05016	2.7
109.02948	6.2
109.06587	1.7
109.48248	1.2
111.00847	1.8
111.04536	5.5
113.02444	5.1
117.03448	3.6
117.57693	1.1
119.05028	2.0
121.02961	4.8
121.06621	1.5
122.86782	1.1
123.04527	30.3
125.01525	2.6
125.02449	52.0
125.06119	1.6
133.06686	1.2
135.04558	6.0
137.02454	16.0
137.06053	4.0
138.03262	1.3
139.04010	5.3
146.62846	1.1
147.04488	2.9
149.02446	3.0
149.06058	1.7
149.35506	1.2
151.03992	8.3
153.01959	1.2
153.05605	6.0
155.03467	3.8
161.02536	1.9
163.00294	1.8
163.04010	3.2
163.07677	1.2
165.01924	3.6
165.05568	4.8
167.03494	60.7
177.01921	2.2
177.05684	2.2
179.03476	18.1
181.05026	3.3
182.00291	1.3
191.03506	3.7
193.05049	3.8
195.06667	1.8
197.04562	24.4
209.04549	100.0
210.04948	1.8
221.04532	5.2
233.04565	1.7
239.05606	90.6
240.05937	3.5
251.05598	4.1
263.05573	1.3
269.06659	49.7
270.06921	2.4
281.06619	14.1
293.06625	3.3
299.07739	29.7
311.07693	13.7
329.08856	12.9
371.07623	33.3
389.10773	15.3
401.08740	32.1
402.09253	1.5
431.09790	9.5
443.10086	6.3
461.10867	30.5
462.11261	2.2
473.10721	5.1
491.11899	5.2
533.12683	3.9
551.13684	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	550.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.4
59.01382	22.2
61.98831	100.0
62.98538	0.4
64.50291	0.4
69.09476	0.3
69.20622	3.8
71.01403	1.6
73.02972	0.6
78.95889	0.4
82.02517	0.3
83.01350	0.4
85.02963	1.1
85.27554	0.4
89.02453	0.6
92.90285	0.3
101.02441	1.1
113.02460	1.3
119.03516	0.4
120.82571	0.3
125.02480	0.7
151.00284	0.4
161.04549	0.7
163.03999	0.4
188.98309	0.3
219.25226	0.4
285.04019	2.5
318.56036	0.4
389.20151	0.4
401.25714	1.6
443.26514	5.7
443.32361	0.5
550.23950	1.1
551.12195	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43192	0.3
57.03452	5.3
59.01098	0.6
59.01376	5.3
60.99307	3.2
63.02382	0.4
63.11444	0.3
65.00310	0.4
71.01380	4.6
71.53078	0.4
73.02969	0.9
75.00871	0.8
83.01393	1.4
85.02950	3.2
87.00867	2.2
88.98805	14.6
89.02441	1.6
92.81191	0.4
93.03455	1.6
95.01385	0.6
96.95989	0.6
99.00883	1.2
101.02448	1.9
103.00330	0.4
107.01394	1.3
108.46606	0.3
109.02944	0.6
111.00895	0.5
111.04526	0.4
113.02453	2.9
116.92863	0.7
121.02882	0.6
125.02448	0.5
127.00377	2.9
129.01942	0.5
133.02939	4.7
134.03735	0.9
137.02480	0.4
143.03555	0.4
145.01416	0.9
149.02435	1.6
151.00357	3.4
155.03461	0.5
155.10811	0.5
165.01817	0.8
173.04587	0.9
175.02583	0.5
175.03996	2.1
178.02650	0.6
179.00162	0.5
181.12309	1.5
191.05698	0.6
193.04994	0.9
199.04059	2.2
199.09560	0.3
201.01907	0.7
213.05589	0.8
217.05086	0.9
219.16556	0.4
225.11311	3.9
227.12874	0.6
241.05049	0.7
243.02892	0.5
243.12366	1.8
257.04449	0.5
263.97003	0.3
285.04031	100.0
286.04388	4.3
287.14981	0.9
297.03976	0.5
327.05173	1.4
357.06146	1.1
389.14456	0.5
405.17651	3.0
419.19000	1.8
461.07236	45.3
462.07474	2.9
550.30219	0.5
551.19452	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	549.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.0
57.03634	1.1
57.11249	0.3
59.01254	5.0
59.01590	2.2
61.98700	2.7
61.99065	1.1
63.81101	0.3
67.01779	0.6
67.02109	0.5
69.03362	0.5
71.01240	3.4
71.01669	1.0
72.99205	0.6
73.02803	1.6
73.03251	0.6
75.00778	0.6
83.01270	0.7
83.04921	0.8
85.02802	2.8
85.03356	0.5
87.00723	1.6
87.04382	0.8
89.02293	3.0
89.02885	0.5
93.03294	3.0
95.01275	0.4
96.95908	0.4
97.02802	0.4
97.06483	0.3
99.00716	1.2
99.04381	0.3
101.02275	2.5
103.00234	0.5
109.06466	0.4
111.00692	1.4
111.04343	3.4
113.02272	1.9
113.09576	0.4
115.03851	0.6
119.03363	0.5
119.04887	0.7
123.04350	0.4
123.07973	1.3
125.02256	1.4
127.03875	0.6
129.01778	0.9
131.03329	1.0
135.07991	0.4
137.02299	0.7
139.11153	0.7
141.01837	0.4
141.12701	0.4
145.12816	0.3
149.04567	3.3
153.09128	0.6
155.03488	2.9
157.12143	1.3
159.02983	2.0
161.04413	0.9
163.03856	0.7
165.03893	0.3
165.12726	0.4
167.03345	0.4
169.12154	1.3
171.10114	0.4
173.04532	9.0
175.57083	0.3
183.13731	1.1
185.11809	2.7
191.05441	0.9
199.13110	0.5
215.12720	1.0
227.12891	2.1
229.50690	0.5
271.02319	1.0
281.23602	0.3
293.21234	0.4
300.02576	1.4
301.03314	0.6
311.22122	0.6
326.24146	0.5
327.21606	0.9
327.25180	0.7
329.23282	2.2
339.25342	0.5
343.19064	0.3
343.24942	0.6
355.25082	0.6
357.26425	3.9
371.24286	0.8
373.25925	3.5
374.26511	2.1
375.27481	100.0
376.27847	5.8
417.24991	1.3
418.41995	0.4
461.21857	0.4
461.27383	1.8
467.26480	0.4
469.49014	0.4
505.10248	0.7
505.26718	0.6
549.33014	41.1
550.33612	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	549.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20744	3.3
59.01380	39.6
61.98833	99.5
69.41859	9.5
69.42283	15.9
71.01376	22.9
72.96334	3.3
73.02934	8.5
85.02938	6.3
85.33371	3.4
89.02464	24.8
98.19925	7.7
99.00892	12.0
101.02441	18.4
112.02101	3.5
113.02429	10.0
119.03493	7.0
125.02380	4.3
125.95186	3.4
131.03549	7.4
149.04588	16.7
155.08481	3.6
161.04494	5.7
191.05640	6.4
196.27473	2.9
300.02747	3.8
387.18491	6.5
396.90991	3.5
505.09753	5.1
513.26947	82.5
514.27643	4.2
549.24731	100.0
550.24921	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	549.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22660	0.9
55.01865	1.6
57.03447	33.3
58.00579	1.4
59.01379	33.0
59.85769	1.1
60.99289	2.4
61.98536	1.6
61.98832	23.0
63.33632	1.2
67.01887	4.1
69.03436	1.5
69.66518	6.5
70.19947	0.9
71.01383	12.1
73.02935	4.6
78.95888	1.1
83.01375	4.9
85.02950	8.1
85.30911	0.9
87.00874	6.1
87.04498	1.5
88.98817	1.0
89.02446	6.2
93.03458	22.9
94.03762	3.2
95.01362	1.1
96.96004	2.4
97.06577	2.1
99.00854	3.8
101.02435	8.4
103.00366	3.0
109.06580	1.5
111.00885	33.6
111.01667	1.6
111.04523	4.8
113.02446	6.6
113.09712	1.4
115.92079	1.9
116.92844	2.5
119.03472	1.7
119.05013	2.6
119.50736	1.1
121.02950	2.1
121.20363	1.0
123.08194	1.6
125.02430	3.8
125.81996	1.1
127.00399	1.4
129.01947	13.8
131.71658	1.0
137.02376	2.4
139.11223	1.6
151.03929	1.2
153.09242	1.5
155.03479	2.7
155.10719	1.2
157.12341	2.4
161.04509	1.6
163.03967	2.4
165.04048	1.9
167.03543	1.1
169.06583	1.5
169.12303	1.2
171.10292	1.3
173.01038	1.4
173.04521	16.4
174.04904	1.6
183.13831	2.0
185.11848	2.5
191.01938	1.3
191.05623	3.1
209.11786	1.2
211.13416	2.5
215.12817	1.9
218.34872	1.1
221.19092	12.3
229.14455	3.7
239.20131	1.8
255.02998	1.8
265.18073	7.7
271.02435	2.3
283.19131	12.0
291.19479	1.3
300.02679	3.1
301.03629	1.5
301.20251	22.9
302.20544	1.2
316.79926	1.0
327.18201	2.0
327.21762	19.2
327.25366	2.3
329.23218	3.1
336.93509	1.0
357.26563	7.6
369.26373	1.8
373.25888	5.8
374.26129	3.0
375.23697	18.3
375.27429	100.0
376.27917	6.0
387.27438	2.0
389.28903	5.7
461.27505	55.3
462.27841	3.1
505.09793	3.2
531.31500	2.2
549.32599	45.5
550.31738	4.1
553.24121	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	549.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24677	1.6
70.83192	2.7
107.01411	1.6
108.02161	2.0
111.50070	1.6
126.73679	1.8
148.01624	1.9
151.00352	10.1
163.00334	1.8
178.99864	2.7
186.21967	1.5
206.06297	1.6
211.04114	1.7
218.94717	1.6
226.02782	2.0
227.03638	2.5
243.02985	10.8
255.03017	26.1
256.03424	1.7
271.02469	60.8
272.02954	2.6
289.87564	1.8
300.02753	100.0
301.03494	33.4
350.69186	1.5
463.08765	5.5
505.09875	86.9
506.10260	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	549.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
59.01379	2.7
61.97755	0.5
71.01376	1.4
71.29587	0.7
71.29939	0.6
72.99295	0.5
73.02940	0.9
73.97987	0.5
85.02931	1.1
87.00857	0.9
97.02946	0.6
99.00878	2.3
101.02423	0.8
111.00895	1.9
122.06109	2.3
127.00381	0.7
127.91419	0.6
132.04504	0.8
136.36601	0.5
144.04533	1.2
146.06110	1.8
150.05640	1.2
157.87183	0.5
159.03064	0.9
160.04099	1.3
162.09557	0.5
172.04070	3.0
173.04707	0.7
174.05612	2.0
175.02524	0.5
176.07234	0.9
186.05582	0.6
188.07278	0.9
190.05113	1.0
202.04994	0.7
203.05763	0.6
204.06686	5.6
210.07918	0.5
216.06595	0.7
217.64999	0.5
223.08794	0.6
225.13959	0.5
226.12456	0.7
231.05290	0.6
232.06148	1.9
237.10411	0.8
238.11043	1.5
239.11867	1.1
246.07791	1.3
248.05592	0.8
251.11986	0.7
253.06293	0.7
253.09976	0.5
253.11006	0.6
253.13387	4.2
254.11836	0.8
255.11353	1.8
262.07108	0.8
263.07962	0.7
265.13480	0.8
266.07190	0.6
266.10913	0.5
267.07681	2.1
267.11563	1.0
268.08475	0.8
269.09271	1.1
269.12903	1.4
279.07654	1.5
279.11011	0.6
280.08527	1.0
281.09277	2.0
282.10092	1.6
283.10876	1.6
293.09189	0.8
295.10910	3.2
295.14240	1.2
296.11655	0.7
297.09314	0.5
297.12433	12.1
298.12851	0.9
309.09256	0.7
309.12378	3.0
313.11752	0.7
321.12393	0.8
323.10400	2.1
323.13846	0.7
325.11929	8.8
335.10226	1.0
337.11981	2.3
339.13538	4.9
341.11328	1.5
347.14285	0.6
349.11798	0.8
351.09952	0.8
353.11328	5.7
355.12973	8.9
356.13193	0.6
365.11172	1.0
367.13010	1.2
369.06509	1.0
369.10919	2.5
374.45541	0.6
377.11423	1.7
381.10898	0.8
381.15106	0.7
383.12576	1.3
393.14606	0.9
397.10434	3.0
399.07233	1.2
399.12036	3.7
401.13599	3.0
413.13470	1.0
415.15109	1.8
429.12848	4.2
431.14624	3.9
447.14041	1.5
459.08948	0.7
469.16217	0.6
474.87943	0.6
487.17245	1.7
505.18372	0.7
517.14612	3.2
521.17810	1.0
531.16376	1.6
549.17310	100.0
550.17615	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	549.0886
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
57.03421	1.5
59.01370	3.5
60.30029	1.3
70.83123	1.5
70.83456	2.4
80.09887	1.3
93.03448	3.0
93.86095	1.4
96.95970	1.4
107.01404	2.8
107.67587	1.1
108.02190	1.7
121.02934	1.5
148.01637	1.8
151.00365	6.0
163.00371	1.4
173.04471	1.6
178.99837	4.7
191.05568	2.1
226.02657	1.4
227.03432	2.9
243.02986	8.7
243.12328	2.1
255.02968	26.4
256.03348	1.6
271.02448	54.1
272.03003	5.1
283.14706	1.2
300.02734	100.0
301.03467	31.0
417.17526	2.8
463.08749	8.0
505.09897	77.1
506.10007	7.1
516.86255	1.3
549.21674	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	548.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67887	0.2
57.03449	0.6
57.27249	0.2
59.01382	35.1
60.01720	0.3
61.98831	100.0
66.48309	0.2
69.30389	2.2
69.41790	0.2
71.01392	1.8
72.99333	0.3
73.02952	0.6
74.83979	0.2
81.03481	0.3
83.01388	0.7
85.02961	1.8
87.00874	0.7
88.98811	0.4
89.02431	0.5
96.96024	0.4
98.20660	0.4
101.02435	0.9
110.97377	0.2
113.02431	0.7
120.87651	0.2
121.02934	0.3
123.04510	1.2
125.02445	2.2
125.84605	0.2
126.02757	0.7
134.08093	0.3
137.02492	0.3
161.04486	0.7
165.09097	0.9
167.03523	1.7
168.03740	0.5
179.03702	0.3
191.01956	0.4
209.08203	4.7
210.08565	0.3
239.05254	0.3
316.90109	0.3
344.48898	0.3
368.11734	0.3
371.13031	0.9
386.12836	1.1
399.23270	0.9
417.39865	0.3
441.24918	4.3
484.25687	0.3
485.16122	0.6
543.42804	0.3
548.30658	0.5
549.22235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94012	0.2
53.33750	0.2
57.03455	0.5
59.01380	25.4
61.98830	100.0
67.38524	0.2
68.33639	0.2
70.84213	0.6
71.01382	2.2
73.02957	0.7
83.01413	0.5
85.02954	1.2
87.00890	0.4
88.98826	0.2
89.02455	0.5
93.03487	0.3
96.96021	0.4
99.00891	0.4
101.02451	1.8
110.03303	0.2
111.00945	0.2
113.02464	0.8
115.92152	0.2
116.92912	0.2
119.05082	0.2
123.04530	0.2
125.02426	1.0
125.04449	0.2
126.55770	0.2
159.03055	0.3
161.04576	0.9
167.03526	0.7
173.04498	0.3
386.13345	0.3
399.23779	2.0
441.24863	3.4
442.25745	0.2
443.23111	0.4
548.31769	0.6
549.16046	0.2
549.33063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
59.01381	26.1
61.98831	100.0
69.03456	0.3
69.29922	1.5
69.30343	1.1
69.48428	0.3
71.01383	2.7
71.40331	0.3
73.02939	0.9
75.00912	0.5
79.10941	0.3
85.02960	1.3
87.00881	0.8
89.02460	1.3
93.03454	1.6
97.02967	0.3
99.00880	0.6
101.02465	1.5
111.00912	0.4
113.02481	1.1
115.10794	0.3
125.02491	1.0
137.02469	0.4
155.03545	0.3
161.04588	0.5
167.03462	0.5
173.04591	1.1
191.05695	0.5
220.80479	0.4
227.13080	0.4
231.52539	0.3
247.87402	0.3
271.02521	0.4
300.02930	0.4
301.20200	0.7
372.25171	0.3
373.25992	1.0
374.26395	0.8
375.27719	0.9
399.23672	1.5
430.78378	0.4
441.25015	1.6
461.27679	0.6
548.19678	0.4
548.32117	1.6
549.30920	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01071	0.9
59.01379	35.8
61.98831	100.0
64.81849	0.6
67.93182	0.6
69.46556	4.3
71.01382	7.0
73.02940	3.0
78.00742	0.5
83.01402	1.7
85.02969	2.7
87.00911	0.7
88.61200	0.6
89.02444	5.3
99.00935	0.8
101.02469	6.2
113.02461	3.7
115.19215	0.6
119.03527	2.7
126.02636	0.7
136.78496	0.6
137.29628	0.6
143.50882	0.6
149.04590	1.3
149.89955	0.5
154.01442	0.7
161.04555	3.1
179.05655	2.2
198.86475	0.6
221.06609	0.6
245.66307	0.7
252.43024	0.6
289.64978	0.6
296.94266	0.6
311.22318	0.7
312.22635	1.5
354.12848	0.6
375.26566	0.6
381.22742	1.1
399.23898	3.0
441.25021	1.6
513.26794	0.8
549.24994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3122
Annotation	Coscinosulfate
Peak:m/z	Relative Intensity
57.03449	15.3
59.01110	0.7
59.01382	9.2
60.99299	4.4
61.98829	11.0
67.01890	8.2
69.03458	2.4
71.01381	6.3
71.54174	0.6
73.02949	2.0
80.15253	0.5
81.03459	2.3
83.01398	3.2
83.05022	2.1
85.02940	3.3
87.00878	14.9
87.04500	0.8
89.02441	1.8
93.03458	67.3
94.03773	1.5
96.96003	2.4
97.06615	0.8
99.00887	2.2
99.04526	1.6
101.02454	3.2
103.00359	1.5
109.02945	1.0
111.00881	15.5
111.04523	10.5
113.02436	2.1
115.04046	0.7
119.05019	2.0
123.04525	2.1
123.08166	1.0
125.02434	4.8
125.09676	2.5
127.11284	1.8
128.01093	0.6
129.01950	9.3
130.02202	0.7
135.04579	0.7
137.02463	2.2
137.09718	1.4
145.01398	0.6
149.04539	1.3
149.84747	0.5
151.00354	1.0
153.09192	0.7
153.12904	0.7
153.76689	0.5
155.03488	3.8
155.10783	2.4
157.12268	0.7
161.04475	0.8
163.03999	3.6
165.01852	0.6
167.03542	3.9
171.10240	5.8
173.00883	1.3
173.04541	27.6
183.13950	0.8
185.11923	0.6
191.03877	1.0
191.05594	6.1
201.15016	0.9
227.07133	1.5
227.12769	1.0
230.15294	0.7
253.05147	0.7
271.06137	1.4
285.20648	2.1
287.05795	0.8
325.23883	1.5
355.24893	2.3
371.24561	0.8
373.25916	67.9
374.26273	4.4
385.12799	1.6
385.26218	0.6
387.27579	2.3
433.11359	0.8
456.09555	0.7
459.25967	31.4
460.26221	2.2
524.83508	0.6
529.30298	0.9
547.31323	100.0
548.31635	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	547.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03400	3.5
59.01381	6.6
59.83157	0.4
61.98831	6.5
69.03428	1.0
71.01383	3.8
72.99249	0.7
73.02901	1.5
75.00843	0.6
81.03432	0.7
83.01341	0.7
83.04987	0.9
85.02937	2.7
87.00820	1.7
87.04482	0.7
89.02458	2.0
93.03461	5.4
96.96029	2.1
97.06558	0.8
99.00831	0.8
101.02377	1.9
111.00848	0.8
111.04528	2.7
111.08109	0.7
113.02457	2.0
116.92817	0.6
119.04947	1.3
123.04548	0.6
123.08125	1.0
125.02433	2.2
125.09735	2.8
125.26472	0.4
127.00319	0.7
127.03935	0.8
127.11233	1.9
129.01877	1.1
131.03482	0.4
137.02385	1.8
137.09682	1.6
149.04485	1.6
153.09148	1.2
155.03476	3.4
155.10735	1.4
160.25809	0.4
161.04582	0.4
163.03885	0.6
165.12845	0.5
167.03424	1.4
171.10240	7.2
173.03169	0.8
173.04546	11.9
179.10748	0.7
183.13852	0.6
185.11810	1.0
191.05598	0.8
197.96082	0.5
201.14792	0.5
208.50867	0.4
223.09677	1.7
223.13293	1.0
227.12756	0.6
229.14339	0.7
230.15071	0.5
247.09857	0.6
268.03732	0.7
269.04483	2.1
269.13855	1.1
285.20682	1.7
307.34891	0.4
313.23917	0.5
325.23694	1.0
349.20087	0.9
355.25018	2.3
371.24234	1.3
372.24594	0.5
373.25925	100.0
374.26248	6.8
385.13361	0.6
401.18021	1.4
415.23877	0.8
547.14197	1.2
547.31317	37.5
548.31757	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03400	3.5
59.01381	6.6
59.83157	0.4
61.98831	6.5
69.03428	1.0
71.01383	3.8
72.99249	0.7
73.02901	1.5
75.00843	0.6
81.03432	0.7
83.01341	0.7
83.04987	0.9
85.02937	2.7
87.00820	1.7
87.04482	0.7
89.02458	2.0
93.03461	5.4
96.96029	2.1
97.06558	0.8
99.00831	0.8
101.02377	1.9
111.00848	0.8
111.04528	2.7
111.08109	0.7
113.02457	2.0
116.92817	0.6
119.04947	1.3
123.04548	0.6
123.08125	1.0
125.02433	2.2
125.09735	2.8
125.26472	0.4
127.00319	0.7
127.03935	0.8
127.11233	1.9
129.01877	1.1
131.03482	0.4
137.02385	1.8
137.09682	1.6
149.04485	1.6
153.09148	1.2
155.03476	3.4
155.10735	1.4
160.25809	0.4
161.04582	0.4
163.03885	0.6
165.12845	0.5
167.03424	1.4
171.10240	7.2
173.03169	0.8
173.04546	11.9
179.10748	0.7
183.13852	0.6
185.11810	1.0
191.05598	0.8
197.96082	0.5
201.14792	0.5
208.50867	0.4
223.09677	1.7
223.13293	1.0
227.12756	0.6
229.14339	0.7
230.15071	0.5
247.09857	0.6
268.03732	0.7
269.04483	2.1
269.13855	1.1
285.20682	1.7
307.34891	0.4
313.23917	0.5
325.23694	1.0
349.20087	0.9
355.25018	2.3
371.24234	1.3
372.24594	0.5
373.25925	100.0
374.26248	6.8
385.13361	0.6
401.18021	1.4
415.23877	0.8
547.14197	1.2
547.31317	37.5
548.31757	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17995	0.6
57.03344	23.9
57.03664	7.0
59.01271	6.4
59.01603	1.7
60.99215	1.6
61.98720	5.9
61.99075	1.7
67.01775	3.2
69.03368	1.9
69.03725	0.7
71.01267	3.7
71.53796	0.9
73.02863	1.5
81.03366	1.6
83.01265	4.1
83.04944	1.3
85.02829	4.0
85.99924	0.7
87.00751	7.3
87.04441	1.0
89.02310	2.8
93.03332	31.4
93.03977	3.0
94.32050	0.7
96.95903	1.7
97.06511	1.2
99.00749	2.1
99.04393	1.0
101.02319	3.3
103.00256	2.4
109.02831	0.8
111.00737	25.9
111.01568	1.6
111.04381	5.6
111.08028	0.7
113.02369	1.5
113.04460	0.7
119.04916	1.6
123.04468	1.1
123.08064	1.4
125.02447	4.2
125.09709	4.4
127.00295	0.8
127.11138	2.5
128.55991	0.7
129.01952	14.8
137.02330	1.6
137.09570	1.1
149.04544	0.8
153.09146	1.0
154.99780	0.7
155.03484	1.5
155.10796	5.3
163.03848	3.0
165.12682	1.0
167.03326	3.2
167.10588	1.0
169.12289	0.8
171.10301	6.6
173.00783	1.1
173.04546	15.2
183.13817	1.8
184.65303	0.8
185.11720	1.3
191.05421	2.4
196.98926	0.7
201.14807	2.2
219.05017	0.9
227.12767	2.5
229.14233	2.0
325.23773	2.4
327.21725	1.2
355.24924	4.7
356.72086	0.8
371.24286	1.6
373.25934	100.0
374.26224	5.8
385.12836	2.7
387.27539	4.0
459.26004	53.7
460.26157	4.1
500.46237	0.7
547.31458	48.2
548.31854	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	547.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39148	9.0
59.01368	35.0
61.98821	72.6
71.01379	18.8
88.43559	10.7
96.66527	9.7
101.02452	14.0
113.00256	11.5
116.57370	10.7
116.92853	12.7
125.02467	11.4
173.04527	22.6
186.88687	11.3
209.11772	20.5
211.13423	12.2
227.13048	11.1
229.45026	12.3
253.09177	27.5
269.58545	11.7
311.22342	100.0
313.95349	9.7
429.40747	10.5
520.56122	10.6
547.26868	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07980	0.6
51.32819	0.6
56.06807	0.7
57.50461	0.6
59.01385	6.9
60.99299	3.2
61.98837	8.0
65.03962	1.4
66.91785	0.6
67.01884	6.3
68.89859	0.7
69.03458	1.6
69.18965	5.8
71.01394	5.2
73.18710	0.8
73.50774	0.7
75.00890	0.6
81.03468	3.2
83.05016	2.8
85.02952	3.1
87.00877	8.3
89.02424	1.8
93.03460	92.7
94.03796	2.0
95.01385	0.9
96.32838	0.6
98.19801	0.9
99.00863	1.5
101.02439	2.3
109.02940	1.8
111.00889	1.5
111.04527	9.7
111.08130	1.1
113.02408	1.6
117.03467	1.6
119.05032	50.9
120.05356	1.4
127.04039	1.7
129.01970	1.2
129.38142	0.7
137.02446	68.0
138.02789	1.1
145.02945	3.2
148.71584	0.7
155.03500	24.0
161.04587	1.2
163.04008	39.8
164.04324	1.5
165.12851	14.5
168.73770	0.7
173.03127	1.3
173.04555	20.9
174.04718	0.8
179.05594	0.8
183.13899	100.0
184.14265	3.4
191.05602	11.1
209.11844	2.6
218.66614	0.9
227.12883	24.4
253.09196	1.5
254.09680	1.5
267.68509	0.7
291.19592	2.1
292.20050	2.5
293.20422	1.3
303.16028	1.0
309.20694	5.2
310.21005	4.8
311.21286	6.4
337.09213	1.2
339.18137	1.3
383.17105	83.3
384.17474	4.3
401.18140	47.9
402.18518	2.9
529.21033	1.1
544.98145	0.8
547.21918	53.0
547.30615	4.6
548.22180	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.9
59.01372	6.5
60.99292	1.4
61.78135	1.0
61.98825	10.5
67.01895	5.5
68.74268	1.0
69.03453	3.2
69.95496	1.0
70.82587	3.0
71.01376	5.1
71.24256	1.2
77.40331	1.1
81.03438	1.5
83.05025	2.3
85.02952	3.1
87.00877	3.9
93.03458	73.9
97.02930	1.4
101.02420	1.9
109.02949	2.0
111.00809	1.9
111.04530	8.9
111.08164	3.3
113.02459	2.1
117.03429	1.6
119.05032	51.8
125.02442	4.7
127.03987	1.8
137.02444	50.6
145.02933	3.4
151.00369	2.5
155.03505	22.6
155.53854	1.1
163.04012	60.0
164.04314	1.2
164.57959	1.1
164.60001	1.1
165.12846	31.1
166.02652	6.1
166.13258	1.3
166.39499	1.0
167.03456	1.6
173.04539	100.0
174.04907	2.4
181.51495	1.1
183.13890	52.0
184.14241	1.7
191.05612	31.4
197.11821	2.1
198.12080	2.0
209.11790	3.6
227.12875	18.7
253.09219	2.1
254.09563	1.3
270.05368	1.5
288.06448	6.1
291.19553	1.7
292.20035	2.1
293.20193	1.2
309.20709	3.9
310.20950	4.7
311.21252	4.3
337.09286	35.7
338.09714	1.4
339.18057	1.6
383.17099	61.1
384.17181	1.5
385.12903	7.1
401.18143	34.7
547.21857	42.4
547.30579	2.0
548.22156	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	547.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60688	1.3
55.01862	5.7
57.03431	4.1
59.01380	100.0
60.99282	1.5
65.03993	1.4
67.01886	1.4
67.39801	1.2
69.03434	2.1
69.26977	1.5
69.66261	4.9
69.66670	3.0
71.01384	13.0
73.02929	5.1
75.00540	1.2
75.00873	13.5
85.02949	6.1
87.00875	8.7
89.01943	1.6
89.02451	24.5
93.03458	8.5
95.03387	1.4
96.96014	14.0
101.02410	5.5
103.03957	2.1
111.04499	1.5
113.02388	1.7
115.00321	2.2
119.03503	1.7
129.01895	4.4
131.03476	5.6
135.02988	9.8
147.02960	7.4
149.04556	79.9
155.03389	1.6
161.04559	1.8
161.13326	3.9
163.11253	2.8
165.04030	13.8
173.04512	4.4
175.02399	2.0
179.05582	1.6
205.12242	3.7
207.10136	2.0
223.13397	50.2
249.11215	4.2
267.12363	29.7
268.12540	1.8
293.04434	1.6
373.14612	1.6
397.14630	2.6
399.11725	2.3
399.16583	36.8
400.16833	2.4
415.15903	18.2
420.44772	1.3
429.17566	4.1
529.19006	2.4
530.51294	1.4
547.20178	99.0
548.20514	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	547.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.6
57.71177	0.3
59.01378	3.7
60.99308	0.5
61.98828	3.7
63.02442	0.4
65.00331	0.9
66.66286	0.3
69.03457	0.5
69.38775	2.2
71.01385	1.8
73.02936	0.3
73.93513	0.3
81.03458	6.2
83.01385	12.9
85.02956	0.5
87.00919	0.6
89.02451	1.5
93.03474	1.7
95.01403	0.7
95.05035	0.7
96.96011	0.8
99.00809	0.3
99.04545	0.5
101.02440	1.0
107.01391	0.9
109.02979	0.3
111.00879	0.9
111.04528	0.7
113.02466	0.7
119.03541	0.5
120.57229	0.3
121.02936	0.3
122.03755	0.3
123.04529	39.4
124.01678	0.6
124.04839	0.5
125.02448	78.8
126.02718	1.4
129.01923	0.4
135.04504	1.5
137.02448	0.8
139.04013	0.3
149.02443	2.0
151.00381	4.9
151.04012	0.4
152.01103	0.5
159.04486	0.3
161.04558	0.4
163.04028	0.5
163.07677	0.7
166.02713	5.6
167.03496	100.0
168.03862	2.2
173.04558	1.1
175.02602	0.4
175.04036	0.9
175.07669	0.8
176.04803	3.6
177.09233	0.3
179.03499	6.6
183.13913	0.4
187.07669	1.1
191.03528	1.9
202.06392	0.3
205.08698	2.9
210.69304	0.3
213.05478	0.5
227.13028	0.5
230.05814	0.5
231.10298	0.4
241.08748	1.1
255.10252	0.4
259.09735	2.5
269.08096	0.4
271.06055	0.4
281.11755	0.9
283.09717	0.4
288.06506	2.7
297.11331	2.0
297.14322	0.4
299.12924	1.0
323.12833	2.1
325.10718	0.4
341.13699	0.4
347.18723	0.4
367.11804	4.6
373.25882	2.4
385.12912	76.1
386.13297	5.2
409.12708	0.7
433.24411	0.9
451.13751	0.4
459.26093	1.3
547.18414	0.6
547.31421	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	547.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	26.2
59.01120	4.2
59.01381	50.8
67.01832	2.3
69.03440	2.5
69.41389	16.7
69.41783	5.3
71.01358	7.9
72.99311	3.0
73.02940	4.8
74.32987	2.6
75.00832	4.3
83.01360	3.1
85.02932	4.6
87.00850	11.4
89.02428	4.4
93.03430	8.6
95.01337	4.0
97.02907	2.7
99.00858	4.1
101.02422	3.2
101.06095	2.6
101.90582	2.5
103.00372	19.0
110.12489	2.5
111.00900	17.5
113.02443	3.3
115.00327	8.0
119.08681	3.2
123.00850	9.3
124.01656	23.7
125.02442	14.5
128.01146	2.7
129.01915	12.8
137.02390	2.5
137.09731	7.7
149.04530	5.5
149.99576	28.6
154.99802	5.8
161.09702	4.4
167.03441	3.9
168.00641	69.1
169.01335	4.6
173.00868	2.6
173.04510	8.5
175.02425	11.8
181.08627	13.2
191.05573	11.6
197.11832	30.8
198.12161	3.2
211.09706	3.4
223.09767	5.6
241.10808	50.6
248.80803	2.8
283.11795	10.8
327.10657	4.5
373.15012	36.4
415.16064	11.7
459.15051	22.1
547.16504	100.0
548.16815	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	547.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.9
59.01379	13.7
61.05323	0.6
67.01869	0.8
69.42014	4.6
71.01387	15.7
71.75576	0.5
72.99305	1.7
73.02928	1.2
75.23184	0.6
83.01379	4.0
85.02952	4.1
87.00874	32.9
89.02458	0.7
93.03455	2.6
96.95991	1.0
99.00883	1.0
101.02434	0.7
103.00356	0.9
111.00874	7.1
112.98816	1.8
113.02436	2.3
115.00372	52.9
116.25969	0.6
127.00356	1.7
139.00366	13.9
141.24619	0.7
157.01421	25.8
173.04520	1.7
175.02473	100.0
176.02829	1.2
191.05608	13.0
197.11804	1.0
241.10828	2.2
267.07739	0.8
267.11734	0.7
280.08508	2.2
283.11505	0.9
295.10855	6.9
309.12576	1.1
325.12070	1.2
327.13525	3.5
339.09958	1.9
353.11499	1.1
371.12411	9.6
373.14484	0.9
391.12860	1.5
397.10464	1.1
399.12054	0.9
401.13602	1.9
413.13080	0.7
415.15967	4.8
429.12958	6.3
431.14310	1.3
435.11987	1.1
443.14603	1.0
453.13080	0.9
459.15103	1.2
467.14676	6.6
468.14508	0.8
485.15573	10.2
486.16278	0.9
487.13492	4.4
499.13858	0.7
511.13690	1.1
529.14453	1.2
547.20337	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88413	2.8
57.03436	10.5
59.01372	14.7
62.45208	2.9
69.88041	14.4
71.01378	6.2
72.99313	5.0
83.01377	5.6
85.02949	100.0
87.00867	8.2
92.00743	3.3
98.20573	5.2
103.00367	13.0
111.00856	8.0
116.34155	3.4
119.05119	3.0
129.01920	10.7
147.02974	13.5
163.04073	4.4
173.00851	4.0
191.01970	63.8
191.05649	4.7
209.03001	43.0
316.14200	3.3
341.10861	3.7
355.06689	26.7
452.29327	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	547.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03440	2.3
58.00597	0.6
59.01379	12.8
59.97942	0.6
65.00323	0.8
67.01884	0.8
69.57742	2.0
69.58153	0.9
71.01382	21.1
72.48372	0.5
72.99294	2.5
73.02945	2.4
83.01389	6.7
85.02958	2.9
87.00877	35.6
89.02434	1.2
93.03466	1.9
96.96003	1.0
98.20680	0.5
99.00881	1.6
101.02441	0.9
101.06084	1.3
103.00352	0.8
107.01397	1.2
111.00881	9.1
111.04529	0.7
111.70118	0.5
112.98827	1.1
113.02453	2.2
113.34258	0.5
115.00375	58.6
116.00708	1.0
122.06130	0.8
124.01629	0.7
125.02419	2.8
127.00368	1.6
129.01837	0.6
135.02988	1.2
137.02457	0.6
139.00369	15.7
144.04572	0.6
151.00362	5.9
157.01422	31.2
161.12401	0.5
168.00505	0.7
169.01448	1.1
169.62791	0.5
172.04051	0.7
173.04506	1.3
175.02469	100.0
176.02783	1.6
191.05614	6.4
197.11722	0.8
210.18419	0.5
253.09764	0.8
253.13481	0.5
255.11093	0.6
266.06851	0.5
267.11493	1.4
278.60736	0.5
280.08548	2.5
283.11670	0.6
295.10898	9.2
297.12503	1.4
309.12476	1.6
323.10101	1.2
325.11969	2.7
327.13571	4.5
335.10370	0.8
339.09882	4.7
353.11526	1.8
355.13058	0.7
369.10739	0.6
371.12466	10.5
372.12778	0.6
373.14877	0.7
391.12866	1.4
397.10358	1.7
399.11963	1.5
401.13388	1.8
415.16122	1.7
429.12854	6.3
431.14578	1.1
435.11749	1.8
443.14505	0.9
447.14197	0.8
467.14578	7.6
485.15656	10.8
486.15924	0.8
487.13577	4.5
499.13919	0.8
511.13776	1.4
529.14819	1.4
547.16187	14.7
548.17169	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03446	1.1
57.18830	0.2
59.01379	8.9
61.98832	5.0
69.03458	0.6
71.01386	7.0
71.05051	0.4
72.99311	0.7
73.02938	1.4
81.51617	0.3
83.01405	0.8
83.05043	0.6
85.02935	1.8
87.00894	1.1
89.02447	6.5
91.04008	0.3
93.03468	0.6
93.07135	0.3
95.01402	0.6
95.05016	0.3
97.02943	2.4
97.06590	1.1
99.00885	0.3
101.02440	7.8
103.71771	0.3
109.06590	0.4
111.04543	0.3
111.08166	3.0
113.02454	3.2
113.09720	1.1
115.07664	0.7
115.92111	0.5
116.92860	0.4
119.03473	2.2
121.10210	0.3
123.04502	0.4
125.02418	0.5
125.09711	0.5
127.07616	0.3
131.03532	0.3
137.02466	0.4
137.09698	0.6
139.11308	0.4
141.09222	0.9
143.03484	0.7
151.11275	0.6
153.12808	0.5
161.04538	3.0
163.11264	0.5
165.12846	3.8
167.10771	0.8
167.14407	1.2
169.12361	1.1
171.10289	1.3
173.04509	0.8
179.05602	1.2
179.10783	0.4
179.14441	0.4
181.12315	2.3
183.13925	1.1
193.12331	1.2
193.15997	0.6
195.13933	1.6
197.11836	12.7
198.12105	0.4
199.13353	1.1
209.11922	1.3
211.13403	4.0
213.51080	0.3
217.15981	0.3
221.15414	1.3
227.12912	1.6
229.14386	0.6
235.08270	0.5
237.22542	0.3
240.13724	0.4
247.20654	3.4
253.09274	26.4
254.09627	0.5
263.20148	1.0
273.18643	2.7
281.21301	0.9
284.97586	0.3
291.19653	35.3
292.19977	2.5
302.89505	0.3
309.20697	100.0
310.21060	5.4
370.26657	0.5
371.27271	0.8
545.29663	12.5
546.30389	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
57.03434	0.8
58.00599	1.1
59.01379	12.5
60.23024	0.3
61.98831	5.5
67.22794	0.3
67.86376	0.3
69.03460	1.2
71.01380	10.1
71.53214	0.4
72.03723	0.3
72.99314	0.7
73.02952	2.1
74.95919	0.3
75.00871	0.4
80.02686	0.3
83.01394	1.0
83.05035	0.8
85.02953	2.1
87.00873	2.1
89.02447	8.6
91.03992	0.4
93.03475	1.5
93.07119	0.4
95.01399	0.7
97.02934	0.4
97.06598	0.4
99.00898	0.7
101.02441	10.4
107.19677	0.3
109.06569	0.4
111.08165	16.0
113.02451	4.3
116.92851	0.6
119.03507	2.9
125.02411	0.6
127.07655	1.4
131.03526	0.3
141.09270	0.3
141.32294	0.3
143.03497	1.0
149.04510	0.3
149.73460	0.3
151.07921	0.3
151.11279	1.7
153.09195	0.4
153.12834	1.8
161.04561	6.1
165.12813	0.6
167.10707	0.5
167.14374	0.4
169.12340	5.9
173.04533	1.2
179.05618	2.3
179.10756	1.0
181.12325	1.4
183.13892	1.0
191.05661	0.4
193.12326	0.7
197.11827	71.6
198.12193	2.3
199.11731	0.4
199.13403	4.5
209.11810	0.4
211.13368	9.1
227.12933	1.5
235.08290	0.8
247.20564	0.4
253.09288	49.7
254.09671	1.0
263.20197	4.9
265.18100	1.7
273.18591	1.2
291.19666	28.0
292.19989	1.2
309.20706	100.0
310.21042	4.5
368.81299	0.3
406.37427	0.3
527.28497	0.5
545.33038	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29144	0.3
55.01880	0.4
57.03442	0.9
58.00595	0.8
59.01378	13.0
61.98828	6.2
69.03474	1.2
71.01382	9.3
72.99317	0.9
73.02958	2.3
78.12241	0.2
81.03455	0.3
83.01397	1.2
83.05018	0.7
84.02204	0.3
85.02950	2.6
87.00873	1.7
89.02443	9.9
93.03478	1.4
93.07109	0.4
95.01418	0.5
95.05048	0.3
97.06583	0.6
99.00897	0.5
101.02444	11.8
109.06602	1.0
110.38394	0.2
111.08159	19.2
112.08497	0.4
113.02454	5.3
115.04086	0.3
115.92051	0.4
116.20131	0.3
116.92886	0.6
118.69997	0.3
119.03513	2.8
125.02430	0.6
127.07660	0.8
129.01947	0.5
131.03490	0.4
133.05107	0.3
137.02502	0.3
137.09721	0.4
141.01904	0.3
141.09256	0.4
142.98384	0.3
143.03514	1.0
149.04552	0.4
151.11259	0.8
153.09195	0.6
153.12881	1.8
161.04546	5.2
163.11298	0.4
165.12816	0.5
167.10762	0.4
169.12343	7.1
173.04530	1.1
177.12837	0.3
179.05617	1.8
179.10793	0.9
181.12349	1.3
183.13881	0.7
183.95355	0.3
191.05568	0.4
193.12350	0.7
197.11824	88.9
198.12204	2.7
199.13397	5.2
209.11905	0.4
211.13376	11.2
212.13858	0.4
227.12865	1.8
229.08665	0.3
235.08183	0.9
236.56435	0.2
247.20766	0.8
253.09280	47.6
254.09616	1.3
263.20132	5.1
265.18054	3.4
273.18616	1.5
291.19647	26.5
292.20093	1.0
309.20694	100.0
310.21033	4.8
368.19073	0.3
433.20737	0.8
545.33154	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20471	1.1
54.41214	1.0
57.03450	51.6
59.01380	100.0
61.39709	1.3
61.98836	8.3
69.24167	5.7
69.24586	4.1
71.01389	10.0
71.05010	1.9
73.02954	5.1
75.00872	2.0
78.42012	1.2
82.95424	5.9
83.01389	7.8
85.02945	5.8
87.00877	3.6
89.02438	15.8
93.03459	2.9
96.96014	1.9
98.20632	2.1
99.00889	2.1
101.02439	12.8
103.00384	2.7
103.04056	1.4
111.04575	1.2
113.02454	5.8
115.00407	2.9
115.04011	2.8
115.92073	1.6
116.92830	3.6
117.03492	3.6
119.03513	2.6
119.05036	3.0
125.02437	3.7
127.00379	22.5
127.01224	2.1
129.01884	1.8
131.03487	3.9
133.01546	1.5
135.04533	2.0
137.02420	2.0
143.03506	1.3
145.01459	12.5
149.04553	45.8
155.51982	1.2
161.02422	2.9
161.13391	3.2
163.02481	10.0
163.03897	2.9
163.11246	1.4
165.04108	2.0
173.04570	4.7
175.02599	2.1
175.04095	1.2
177.02072	1.2
179.05626	2.9
189.01945	1.3
191.05641	3.3
205.12349	3.9
207.10246	2.1
223.13393	60.2
224.13686	2.3
249.11345	4.6
253.05182	7.0
253.07343	1.2
267.02997	4.1
267.12360	42.8
268.12796	2.3
283.06046	5.8
295.05994	6.3
297.07620	7.3
305.10428	2.8
307.06125	2.4
311.05627	9.3
317.60419	1.2
323.05560	6.7
325.07199	3.9
328.05917	1.5
335.05377	2.3
335.11200	1.4
351.05148	5.2
353.06607	13.8
365.06097	1.5
369.06107	4.1
381.06137	1.6
383.07742	5.8
399.16608	63.1
400.16864	5.2
413.14230	13.3
414.14609	1.6
429.08630	2.3
429.17581	6.3
441.08188	3.9
442.08710	1.5
443.09802	9.2
455.09644	2.3
459.09409	7.8
527.12073	3.6
545.12775	47.2
545.18970	46.2
546.12769	3.9
546.20410	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	545.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.1
61.98827	2.4
62.04592	1.2
68.70436	1.0
71.01369	3.9
71.51854	1.7
71.52230	1.5
83.01385	1.8
85.02969	1.6
87.00886	1.9
90.83605	1.3
93.03456	5.9
96.96022	1.9
99.00872	3.3
103.00382	2.5
111.00867	2.3
117.03448	2.4
119.05015	5.1
121.02995	1.2
125.02452	2.2
127.93901	1.2
129.01953	2.1
130.49353	1.2
131.05000	3.8
132.05815	4.4
133.02913	1.5
133.06578	7.1
135.04463	1.6
137.02443	2.1
143.05006	2.0
145.06618	6.6
147.04539	17.0
149.06137	2.0
157.06586	3.5
159.04396	1.3
161.06070	2.4
163.03925	1.3
169.06685	2.4
173.04723	2.2
173.06085	8.7
175.03983	5.9
175.07681	2.6
177.05557	3.7
187.07660	18.4
187.25748	1.5
189.05562	13.2
191.01947	3.0
191.07115	5.0
199.07669	1.5
201.05573	19.5
203.03476	3.4
205.05090	6.9
219.06581	12.8
221.04514	9.6
227.68623	1.2
261.07745	2.7
263.05582	14.6
279.08746	4.7
323.07697	100.0
324.07910	4.3
484.19940	1.3
485.12888	2.8
545.25867	1.9
568.48792	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	545.1302
Annotation	Dehydrogaertneroside
Peak:m/z	Relative Intensity
51.39589	0.4
57.03446	2.4
59.01376	6.4
59.81831	0.4
61.98816	2.2
62.35477	0.4
69.26823	2.0
69.27255	2.5
71.01373	2.2
71.95598	0.5
73.02919	0.7
73.18066	0.5
83.01392	0.9
85.02955	1.0
86.45007	0.5
87.00848	0.5
89.02425	0.6
93.03459	2.6
93.25098	0.5
95.01395	0.6
96.95992	1.7
101.02477	0.7
107.11707	0.5
113.02483	0.6
117.03467	5.9
119.04998	3.0
125.02428	0.9
127.00389	0.6
129.01917	0.6
131.05020	0.7
133.02953	0.5
135.04485	2.1
145.02942	0.6
145.08673	0.9
147.04517	0.8
149.02422	1.6
149.04544	1.0
151.03989	0.8
159.04434	1.0
161.02431	3.5
161.18362	0.5
163.03969	2.4
165.01949	1.3
173.04492	1.3
175.04002	2.1
177.01869	1.7
177.05554	0.8
179.03447	1.4
189.01976	1.3
191.03516	1.2
191.05574	1.0
197.06064	0.9
203.03467	1.8
205.01382	1.4
207.03021	2.7
210.06827	0.5
217.01364	0.8
219.02885	0.8
223.07703	0.9
223.13297	0.8
231.03000	0.9
233.04463	0.6
237.04034	1.4
249.03949	1.5
251.07091	1.4
253.05113	0.7
267.06519	1.5
267.12335	1.6
268.07504	1.0
269.04477	1.9
279.05154	0.8
281.04642	2.4
282.05261	2.2
283.06094	11.9
293.04465	0.7
295.06094	9.5
296.06775	2.2
297.07660	16.4
307.06067	2.7
309.04135	0.9
309.07739	2.0
310.04785	0.7
311.05594	10.6
314.04285	1.6
321.04147	0.7
322.04974	1.0
323.05609	9.7
324.06378	1.4
325.07166	7.3
328.05692	2.6
335.05627	1.7
337.07019	2.9
339.05051	3.2
341.06589	4.1
351.05042	7.2
352.05493	0.8
353.06625	31.9
354.06964	1.2
355.08426	1.4
356.05292	2.0
363.04980	0.9
365.06546	4.4
367.04507	2.0
369.06161	19.9
370.06171	0.7
371.24188	1.3
381.05978	4.6
383.07672	18.3
384.08051	1.2
395.07507	1.5
397.05246	0.9
399.07224	11.9
399.16409	2.2
401.08679	1.6
411.07187	1.0
413.08878	0.8
425.08728	1.5
434.18655	0.7
441.08252	3.4
442.09024	1.0
443.09821	18.0
444.10220	1.2
455.09641	4.1
457.07690	3.9
458.08774	0.7
459.09341	27.2
460.09634	1.5
485.10980	1.9
527.11975	1.4
545.12933	100.0
546.13257	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	543.3308
Annotation	Luvungin F
Peak:m/z	Relative Intensity
57.03447	7.1
58.16908	4.1
59.01381	60.3
61.98831	100.0
62.14238	4.1
66.73087	3.9
69.33014	21.8
69.33422	7.7
71.01376	24.8
73.02941	6.0
85.02956	7.1
87.00872	18.5
87.04610	4.5
89.02456	14.0
93.03474	8.8
96.96007	14.2
98.20616	6.4
99.00903	14.6
99.04540	7.1
101.02437	10.5
104.57903	5.0
113.02448	7.1
119.05038	11.9
125.02448	16.9
149.04553	6.7
151.04053	4.9
161.04568	8.6
163.03978	5.2
171.10217	4.4
173.04546	8.2
178.33153	4.4
189.89005	3.9
191.05597	10.4
194.28339	3.9
209.11749	4.8
288.39603	4.6
293.30084	4.4
400.37384	4.6
443.79462	4.4
507.35376	14.6
543.33282	93.5
544.33002	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	543.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98348	1.2
55.01875	1.6
55.04905	1.2
57.03454	6.6
58.00591	2.8
59.01381	65.4
61.98832	7.4
67.01842	1.3
69.03466	2.3
69.40849	4.4
69.41272	4.4
71.01384	46.5
72.99305	3.8
73.02949	12.0
75.02991	1.1
78.91862	2.0
79.05540	1.5
80.96512	1.6
81.03457	3.5
81.07090	2.4
82.57046	1.1
83.01395	2.5
83.05023	3.9
83.65770	1.4
85.02953	13.1
87.00864	5.5
89.02444	61.4
91.48482	1.2
91.52991	1.1
93.03465	6.7
95.01372	4.8
95.05028	2.7
95.14783	1.2
96.96017	14.8
97.06590	1.5
98.19919	2.1
99.04510	3.6
101.02442	22.1
103.03995	3.9
104.36793	1.4
105.07075	1.3
107.05010	2.8
109.02971	1.8
111.00880	3.9
111.04500	3.5
113.02455	23.8
117.03510	1.3
119.03501	14.0
119.05003	6.0
121.06615	1.5
123.04503	3.4
123.08123	1.4
125.02437	5.3
129.01920	2.8
131.03503	13.1
135.04466	2.0
137.02423	2.4
142.87802	1.2
143.03453	3.3
143.04509	1.2
145.02928	1.5
145.10280	1.3
149.02580	2.6
149.04555	90.2
155.03419	2.7
157.06563	2.7
159.08142	2.6
159.11795	3.4
161.04521	6.0
161.13364	61.4
162.13728	2.1
163.02635	1.8
163.04010	6.1
169.01442	1.4
169.10187	1.7
172.08926	2.1
173.04550	9.6
179.05573	5.5
179.10747	1.6
185.09711	1.3
185.13380	2.5
187.11272	41.2
190.02634	1.4
191.05609	2.1
201.12811	2.4
205.12331	98.3
206.12587	4.8
219.13837	1.5
223.06042	1.7
223.09633	1.5
223.13452	1.6
229.12276	12.9
247.13364	4.6
249.11325	100.0
250.11639	4.3
259.13580	2.0
289.07150	2.1
291.12289	4.8
319.08212	2.1
319.15436	1.5
337.16565	3.8
363.14349	5.9
369.22794	2.8
379.10291	1.9
381.15543	43.5
382.16153	1.8
411.16489	23.2
442.45895	1.4
455.22610	2.5
500.86789	1.3
543.20721	58.2
544.20593	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55592	0.3
58.02972	0.4
59.01378	2.8
60.01719	0.3
61.98829	100.0
70.63011	0.3
71.01392	0.5
71.09804	0.3
71.53380	0.4
74.02473	1.2
82.02985	0.3
86.02483	0.6
87.05647	0.3
89.02433	0.5
94.45573	0.3
99.05653	1.1
101.02431	0.6
106.93897	0.3
113.02442	0.5
121.02945	1.3
125.02446	0.3
128.03543	3.2
135.08221	0.3
143.04616	4.0
144.03114	0.3
154.01466	0.5
166.09940	0.3
179.04630	0.9
210.08931	0.8
237.28346	0.3
254.07845	2.6
272.08853	5.7
272.11539	0.4
388.93488	0.3
505.33688	0.3
506.34604	0.6
509.91446	0.3
542.24750	2.3
542.32538	1.7
543.25372	0.6
543.32751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01381	0.5
61.98848	0.4
71.01377	0.3
71.11633	0.2
71.27349	0.2
71.53297	0.3
75.00844	0.2
79.95733	2.8
85.02941	0.3
85.33762	0.2
87.00863	0.2
89.02427	0.3
96.96013	100.0
97.93129	0.4
97.95975	0.2
113.02457	0.6
113.92638	0.5
114.93395	0.8
125.02394	0.2
135.04543	0.2
163.03947	0.2
173.04567	0.3
175.02449	0.6
210.08456	0.2
231.90677	0.2
254.94742	0.2
269.04510	2.4
272.95334	0.2
344.79517	0.2
388.83850	0.2
445.07413	0.4
513.91980	0.2
543.17029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3162
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
56.30389	2.8
57.03445	2.7
59.01382	100.0
61.98835	48.6
70.54190	4.3
70.54501	5.4
71.01392	16.9
85.02972	4.4
87.00854	5.1
89.02439	18.1
93.03471	3.6
96.60135	2.9
100.42120	2.9
101.02425	14.8
102.33202	3.0
113.02459	8.3
119.03483	9.6
119.20911	2.7
125.02452	6.3
130.42441	2.7
135.91531	2.7
137.02492	4.4
161.04561	5.3
179.05621	7.7
237.06189	3.2
481.27393	6.6
505.33859	31.6
541.24261	4.3
541.31549	99.9
542.31989	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	542.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
59.00752	1.2
59.01374	2.0
61.98832	6.2
63.00158	1.3
69.43977	1.9
69.44303	9.6
75.78112	1.2
79.55289	1.2
85.02940	2.1
87.00876	1.5
96.96000	1.6
124.01688	1.5
125.02466	2.6
133.45073	1.2
135.00798	1.3
137.02432	1.7
147.00803	1.2
151.00349	5.6
152.01224	1.3
164.01190	2.5
173.04507	2.1
178.99886	6.5
189.87703	1.6
203.03523	1.5
214.02663	5.7
219.55452	1.4
242.02155	3.8
259.02423	3.8
266.85303	1.3
270.01648	6.1
271.02469	30.5
285.03870	2.7
287.01996	17.5
316.02225	84.2
317.02917	13.1
479.08298	100.0
480.08810	6.6
536.52612	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	541.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03441	1.0
59.01382	2.5
61.98835	1.7
69.03461	0.7
70.89964	0.4
70.90300	0.6
71.01367	1.4
72.99310	25.9
73.02950	0.6
75.00874	0.4
83.01401	0.5
85.02972	1.5
85.52255	0.3
86.11458	0.3
89.02446	0.8
89.17165	0.3
90.13502	0.2
92.05046	0.6
93.03460	1.0
93.36723	0.3
98.69959	0.3
99.00893	0.7
101.02472	1.1
101.06086	11.8
113.02438	4.0
117.03489	1.3
119.05029	100.0
120.05349	2.0
121.02952	0.7
125.02458	0.5
131.03485	0.7
136.04010	0.3
137.02496	0.4
145.02960	4.2
161.06052	3.4
162.03262	1.9
163.04007	64.6
164.04355	1.6
175.07593	0.6
191.05809	0.3
203.06989	0.3
205.05017	0.5
219.06654	0.6
257.06659	0.4
277.07230	1.8
307.08264	1.1
325.09229	0.9
361.02173	0.3
362.16037	0.6
367.10422	0.4
381.08331	0.6
439.12430	20.9
440.12808	1.1
455.15720	0.7
457.13425	3.1
497.16763	0.9
500.57761	0.3
541.19250	35.5
542.19830	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01393	5.5
61.98834	7.1
65.00330	1.0
65.03963	4.0
67.01888	1.9
70.07742	3.9
71.01382	2.5
75.56277	0.8
81.03426	1.1
85.02974	0.9
88.98822	0.9
91.01897	42.7
93.03475	1.4
96.96002	1.5
99.04568	0.9
108.02177	2.9
109.02957	60.6
119.05017	1.0
121.02960	3.3
125.02429	2.3
131.05099	1.2
133.02968	1.0
135.00891	64.9
135.04547	2.3
136.01248	1.0
137.02446	2.5
145.02979	6.8
146.03757	2.5
147.04536	16.0
151.00439	1.0
151.04013	1.9
153.01945	26.4
158.03770	1.1
159.04523	79.8
160.04834	1.6
161.02431	3.0
163.03966	1.3
169.01451	1.4
173.02449	7.4
174.03226	13.9
175.03894	1.9
177.01944	1.1
180.00574	0.9
185.02490	1.2
185.06105	1.2
187.00362	1.1
187.03993	0.9
193.06633	1.6
197.05998	1.0
209.06084	3.2
210.93073	1.2
211.03969	1.8
213.05559	1.2
215.07094	1.5
220.05269	1.6
221.06058	3.2
222.06798	0.8
224.04871	1.2
225.05580	1.8
227.03595	0.9
227.07188	1.2
229.05052	9.4
233.06001	1.5
235.03923	0.9
237.05525	6.4
238.06273	1.5
239.07144	9.0
241.05069	2.0
248.04773	2.9
249.05553	6.7
251.03270	0.9
251.07068	2.7
252.03964	1.0
253.05072	12.5
254.05681	1.0
257.04947	0.9
260.04739	1.0
261.05554	1.2
263.03525	1.1
264.04312	2.7
265.05075	19.1
266.05780	2.0
267.04041	1.2
267.06543	6.7
269.04718	1.8
269.08206	9.9
276.04276	2.4
277.05042	37.3
278.05606	3.4
279.02927	3.2
279.05817	0.8
280.03720	2.4
281.04526	7.4
282.05002	1.1
283.06116	38.0
284.06332	1.1
291.02939	2.2
292.03799	2.3
293.04575	3.3
294.05359	1.5
295.06100	100.0
296.06439	4.8
297.03943	5.0
309.04053	25.2
310.04562	3.0
311.05621	1.3
315.06674	1.4
315.10776	0.9
321.04019	40.1
322.04410	2.3
327.06598	1.2
331.09552	0.9
333.07822	0.9
341.08377	1.0
343.06009	1.0
345.07513	1.1
357.07617	2.4
359.09271	3.8
369.07599	3.4
375.08722	15.3
383.05850	1.2
385.07269	1.4
387.08728	33.8
388.09143	1.8
389.06619	7.5
395.05603	1.1
401.06613	7.3
405.09802	41.7
406.10065	2.6
413.06573	10.9
414.06781	1.3
419.07724	26.1
420.07889	2.6
431.07703	84.1
432.08133	6.6
497.12466	2.5
523.10370	7.6
541.11389	28.3
542.11749	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	540.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41176	0.7
54.69736	0.8
59.01376	2.1
59.58681	0.8
61.98825	10.1
65.51694	0.9
69.35331	5.6
71.01377	1.7
85.02917	0.8
88.98790	4.7
89.02442	1.3
109.54446	0.7
113.02431	1.0
113.26770	0.8
123.04489	0.9
125.02360	0.9
149.04567	1.2
151.00343	2.1
159.11772	0.7
161.02411	1.4
173.04523	0.8
203.03636	1.2
227.03531	2.9
227.45885	0.8
251.51826	0.9
271.02405	3.3
272.03314	6.9
299.01910	9.1
300.02734	98.9
301.03143	5.5
314.04346	4.0
315.05090	94.7
316.05463	3.8
450.10947	0.9
477.10355	100.0
478.10623	7.9
540.21234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75558	0.2
55.01883	0.3
58.00600	0.8
59.01380	100.0
59.36303	0.2
60.01716	0.8
61.98824	1.2
69.50323	1.7
71.01382	12.2
72.99297	0.6
73.02956	0.9
79.12462	0.2
81.03458	0.3
83.01382	0.3
85.02950	2.2
87.00909	1.0
89.02445	22.2
90.06179	0.2
95.01410	0.9
99.00905	0.4
101.02447	7.9
102.02836	0.2
113.02454	7.1
119.03501	9.5
125.02466	0.7
125.05494	0.2
131.03517	1.1
137.02467	0.6
143.03484	2.4
149.04608	0.6
156.70485	0.2
159.02994	0.2
161.04561	4.2
179.05600	9.5
185.53429	0.2
223.80092	0.2
240.69531	0.2
383.53946	0.2
479.26431	3.1
496.76605	0.2
539.28180	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.9
61.98823	7.3
69.50421	4.8
71.01375	1.4
85.02921	0.8
87.00854	0.9
88.98825	3.4
89.02470	0.7
125.02465	1.5
151.00337	1.5
154.31830	0.7
155.74942	0.7
159.11705	0.9
161.02458	2.2
203.03503	0.7
215.03381	0.7
227.03455	2.1
263.54977	0.8
271.02530	3.4
272.03217	9.0
288.05930	0.9
299.02017	10.2
300.02731	95.9
301.03317	6.6
314.04202	3.9
315.05084	89.2
316.05368	3.9
450.11337	0.9
477.10339	100.0
478.10666	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	539.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
57.03455	4.2
58.00595	3.8
59.01379	100.0
61.98833	0.8
63.43626	0.6
67.44120	0.6
69.34874	3.9
71.01379	65.5
72.99302	5.6
73.02961	3.0
75.00858	0.6
75.47070	0.5
75.98475	0.6
83.01395	2.5
85.02953	12.8
87.00880	5.5
88.98344	0.5
88.98785	3.0
89.02444	97.6
90.02774	1.2
93.03480	0.9
95.01394	4.3
96.95986	0.6
97.06148	0.5
98.19949	1.3
99.00874	0.8
101.02442	36.0
108.02146	1.8
111.00833	0.6
113.02448	26.4
117.03456	1.4
119.03503	37.9
121.02949	4.9
122.03738	2.0
123.04510	1.9
125.02418	2.9
129.01923	0.9
131.03494	4.0
133.02933	1.6
134.03741	0.9
135.04492	1.1
136.01660	0.7
137.02365	0.8
139.71384	0.5
143.03494	6.7
145.02971	4.6
146.03716	0.7
147.04434	1.0
149.02458	4.1
149.04538	4.5
150.03233	10.4
151.03943	1.5
161.02470	4.6
161.04530	8.0
162.03223	38.6
163.03729	1.3
164.04832	0.8
165.05560	12.9
166.06357	15.6
166.89998	0.6
169.01442	2.8
169.12239	1.1
173.04523	1.3
177.05559	37.3
179.05603	21.4
180.04276	2.8
181.08707	7.2
187.09636	0.6
191.01950	1.0
195.05054	1.0
195.06609	9.3
203.89459	0.7
213.11234	1.0
216.84207	0.5
269.04379	1.4
319.13721	0.8
329.13623	1.1
343.13589	1.6
357.11652	1.5
361.13867	0.7
387.63376	0.6
389.74197	0.7
391.13696	0.9
393.17435	1.0
491.19266	10.6
539.20154	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	539.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
56.04504	0.7
57.03443	2.4
58.16602	0.7
59.01110	1.0
59.01383	15.1
61.98804	2.2
71.01390	13.1
71.53226	1.2
72.99322	1.3
73.02947	5.6
75.00858	1.7
83.01381	4.2
85.02953	13.7
86.00061	1.1
87.00866	2.6
88.98826	1.9
89.02449	4.4
93.03444	2.3
95.01366	2.1
96.96008	1.4
99.00855	1.8
101.02451	15.0
102.02798	0.8
102.25693	0.8
111.00854	1.3
111.54228	0.7
113.02446	5.5
113.45443	0.8
119.03582	1.2
121.02969	4.3
122.03772	4.4
123.04531	1.5
125.02441	2.0
129.01923	1.2
131.03549	1.1
132.02167	1.1
133.02988	5.8
134.03763	1.0
146.93555	0.7
147.03018	1.4
147.04391	0.9
149.02443	25.8
149.04385	1.2
149.06033	2.1
150.03226	33.2
164.04814	6.0
165.05571	29.4
165.79166	0.7
166.06371	4.8
167.07138	1.0
167.46443	0.7
169.01343	0.9
173.04561	0.9
177.01869	1.1
180.04265	1.5
181.08717	4.9
191.01982	2.7
195.06615	10.4
269.04617	3.8
283.09824	1.8
311.10217	0.9
312.10690	1.6
313.10739	1.2
314.11584	6.3
315.12268	1.2
329.13983	12.5
331.12329	1.0
343.14001	10.7
349.13077	0.8
407.07742	4.4
466.98328	0.8
468.42157	0.8
491.19214	100.0
492.19409	6.7
507.15259	2.3
539.21399	22.7
540.21222	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3066
Annotation	Integristerone A 25-acetate
Peak:m/z	Relative Intensity
59.01379	100.0
59.69048	1.1
61.98809	2.9
65.01290	1.1
71.21628	2.1
77.24845	1.2
111.08134	1.0
117.50653	1.2
125.09713	1.3
171.10275	7.5
209.11826	2.0
211.13434	2.6
233.15598	2.8
242.31934	1.2
243.94449	1.4
249.14931	4.5
403.24792	2.5
459.27408	13.9
477.28552	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	538.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79712	2.1
55.73242	1.7
56.78304	2.0
56.95320	2.0
57.03453	2.2
59.01371	11.8
61.98827	18.8
65.30066	1.7
69.20155	1.9
69.98787	3.3
69.99191	6.8
71.01392	12.2
75.00873	4.4
85.02945	21.8
86.55251	1.7
87.00887	5.5
89.02441	3.6
95.01379	6.1
99.00883	7.1
101.02479	1.8
103.00375	5.2
107.51617	1.8
113.02450	38.4
115.00392	1.9
157.01389	1.9
158.47260	1.7
175.02460	15.6
179.05588	2.0
179.07079	1.9
180.07655	1.9
197.13577	1.7
198.67610	1.8
207.11272	1.9
256.03717	4.1
280.45074	2.0
284.03265	75.8
285.03641	3.0
290.96646	2.0
299.05594	100.0
300.05759	4.4
415.03104	1.9
425.83063	1.9
466.62347	2.0
475.08826	49.9
475.15250	3.6
476.09235	2.3
536.83588	1.8
537.32861	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60818	0.5
57.03443	0.7
59.01378	20.8
61.98835	3.8
71.01373	1.7
83.05046	1.0
85.02969	0.6
89.02439	1.5
98.20673	1.0
101.02425	3.4
113.02469	1.6
119.03495	2.1
123.08161	9.8
135.08183	2.0
135.89789	0.6
161.04521	0.9
165.38582	0.5
175.14908	1.1
243.19298	0.6
269.19101	7.8
271.20636	2.6
315.19623	100.0
316.19980	5.9
357.20541	1.0
387.21732	0.7
517.90161	0.6
537.29431	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
56.49225	0.8
56.99836	0.9
57.03453	3.0
58.00606	3.1
59.01379	86.8
60.01733	0.9
61.50674	0.8
61.98837	3.6
65.47529	0.8
70.66219	0.9
71.01385	33.5
71.53380	1.3
72.50114	0.8
72.99311	4.9
73.02946	26.0
75.00872	7.4
83.01392	4.4
85.02953	18.4
86.00127	1.2
87.00882	8.6
87.01291	0.8
87.04558	3.9
88.52363	0.8
88.98803	5.4
89.02448	30.0
90.02777	0.9
93.03494	2.6
97.02961	1.6
99.00919	2.5
99.04557	1.0
101.02445	60.2
102.02809	1.0
103.00356	8.2
103.04010	22.4
103.04643	1.3
104.14975	0.9
109.02950	2.3
111.00871	1.7
113.02448	8.1
115.04006	5.1
116.57124	0.8
119.03511	13.4
119.05024	1.9
121.02986	1.5
123.04560	1.4
124.01748	1.0
125.02471	5.3
127.04042	1.4
129.01958	1.5
131.03487	7.3
135.04581	1.4
137.02455	2.0
143.03496	11.3
145.05035	6.3
147.03058	1.4
149.02498	1.5
149.04634	1.2
149.99590	0.8
150.03275	1.2
151.00441	1.3
153.01883	1.0
161.04591	2.1
163.04005	3.4
163.06123	100.0
164.06506	1.8
165.12871	1.2
167.03552	3.0
169.01514	1.7
171.10396	1.7
173.04594	2.9
177.02003	0.9
179.03575	1.3
179.05649	1.5
183.13879	1.3
187.35350	0.9
191.02072	1.3
191.05643	1.0
205.07161	18.4
235.08250	1.5
264.41736	0.8
265.09323	8.5
284.03485	2.3
289.07208	1.9
299.05695	4.6
307.10464	1.3
325.11496	1.8
328.06342	1.0
363.20486	1.1
375.27737	2.5
387.24442	1.0
389.25601	2.6
405.24942	17.6
475.09396	2.8
477.23685	4.0
537.22498	4.1
537.33069	33.6
538.33337	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62006	0.6
55.01881	9.7
57.03444	2.2
58.00607	0.7
59.01382	17.0
60.99282	0.8
61.98820	1.7
66.70822	0.6
66.93868	0.6
67.13168	0.6
69.03462	0.9
69.60229	2.0
69.60629	1.5
71.01385	11.6
71.05008	0.8
72.99311	0.8
73.02963	2.3
75.00872	23.3
83.01405	0.7
83.05050	0.6
85.02942	5.4
87.00887	0.9
88.98800	6.0
89.02448	10.2
93.03473	1.4
95.01398	0.8
97.06617	0.7
101.02454	7.2
103.00383	1.4
111.04516	0.7
111.08154	2.9
113.02438	4.8
116.09540	0.6
116.92898	0.9
119.03493	2.5
129.01947	10.2
137.02422	0.9
147.02989	5.9
149.04564	1.0
161.04643	1.0
165.04045	23.0
165.05444	1.1
165.12848	38.6
166.13176	1.1
169.01390	0.7
169.81052	0.7
173.04546	0.8
179.05591	0.9
179.07204	0.8
181.12405	0.9
183.13901	96.3
184.12619	0.6
184.14252	2.9
197.15425	1.1
207.13875	1.5
209.11871	2.9
225.14920	0.7
227.12889	100.0
228.13197	3.2
232.66939	0.7
251.12810	3.4
271.46317	0.7
275.99738	0.7
284.03372	1.0
285.04041	15.2
286.04236	0.7
357.15527	26.5
358.16196	1.1
363.20020	1.1
375.16574	25.3
375.27505	1.3
376.16763	1.1
389.18124	9.3
394.88681	0.8
405.24792	1.1
447.09335	10.2
537.21924	59.5
537.32397	8.0
538.22229	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	537.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
57.03448	5.1
58.00594	1.5
59.01380	41.8
69.03461	0.8
71.01383	19.7
71.53026	0.6
72.99307	2.2
73.02944	5.7
75.00860	1.1
81.82990	0.6
83.01393	1.4
85.02946	10.6
87.00874	1.9
89.02448	22.0
93.03465	2.0
95.01351	1.5
95.05031	0.9
96.95998	1.7
99.00883	0.7
99.04491	1.2
101.02435	13.0
103.00380	0.8
113.02447	8.3
119.03509	7.9
119.05013	0.6
119.15817	0.6
125.02387	1.1
129.01913	1.0
131.03458	1.1
137.02423	0.9
143.03458	0.9
147.02954	1.2
149.04576	3.7
155.03557	0.7
161.04546	0.7
163.11282	6.9
171.10289	0.9
173.04518	1.5
179.05586	1.7
181.12340	44.7
182.12567	0.9
183.10237	1.7
186.68163	0.6
191.01985	3.1
201.11330	1.1
207.10246	2.1
209.11787	0.7
225.11313	100.0
226.11612	2.5
227.12874	2.3
243.12427	3.5
267.11279	0.6
269.14160	0.7
281.09274	1.7
285.04092	2.4
285.12506	0.8
287.15012	2.3
292.81116	0.6
293.09427	0.7
311.10373	6.3
318.93875	0.6
329.11432	2.3
343.11798	0.6
347.12558	1.3
357.15469	1.8
373.10220	0.9
375.16656	1.9
389.18845	0.6
391.19962	0.9
405.17606	76.9
406.17926	4.7
477.22812	1.6
505.14307	4.3
537.21857	71.3
537.28119	3.2
538.22028	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	537.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	6.8
58.91322	1.5
59.01114	2.3
59.01384	34.6
61.98822	5.0
70.65115	3.4
70.65470	3.1
71.01387	29.7
71.31748	2.0
72.99292	1.8
73.02938	9.9
75.00867	2.1
78.57693	1.6
83.01408	4.2
85.02948	13.2
86.16044	1.7
87.00864	5.7
89.01932	3.2
89.02444	31.3
93.03440	3.5
97.02906	1.7
99.00854	2.5
101.02457	15.8
111.00935	1.8
113.02430	12.6
116.92831	8.8
119.03510	6.7
125.02451	3.2
129.01942	2.4
131.03464	4.0
134.03763	1.9
137.02483	4.0
138.03239	2.2
139.11240	1.8
143.03520	3.1
146.03793	4.2
147.03059	2.3
149.02417	5.8
149.04562	34.6
150.03200	7.3
150.05542	2.1
151.03940	1.7
161.04608	10.7
162.03215	6.3
162.05571	2.8
163.06104	1.8
164.04774	6.7
165.05505	7.9
173.04494	4.5
177.05594	6.3
179.05640	3.6
179.07095	4.2
181.05125	2.6
181.12370	2.5
191.02028	2.2
191.07129	2.4
193.04985	2.0
195.06621	5.8
217.54340	2.3
225.11237	2.7
238.07497	3.4
239.08243	2.3
240.05334	2.3
240.10310	1.9
242.11594	2.1
243.11476	2.7
252.08961	3.7
253.09973	3.2
254.07266	1.9
255.07614	3.8
255.11412	4.7
256.06104	3.1
256.09787	1.7
263.08182	2.1
265.09799	8.2
266.06995	2.3
267.07751	11.4
267.11288	16.0
268.09750	3.6
269.09433	2.7
273.08832	2.7
278.06876	5.5
279.07693	2.9
280.08734	2.1
281.06183	3.3
281.09302	34.4
283.07269	2.3
283.10782	9.5
285.12482	12.0
286.10675	3.2
293.09338	24.4
295.07166	10.3
295.10840	4.2
296.07956	14.6
297.08652	2.3
300.10025	3.9
311.10370	100.0
312.10309	5.6
315.12347	6.6
327.05118	2.1
327.12311	7.8
328.06952	2.7
329.11414	34.6
331.17569	7.3
345.13507	4.6
347.12491	49.2
355.09750	4.1
360.11902	2.3
363.23877	4.2
373.10315	12.5
375.14496	25.8
387.11893	5.4
405.12933	12.3
443.14587	1.9
447.09277	1.9
477.23434	36.1
478.23550	2.3
487.13513	6.2
489.17307	3.9
505.14661	69.0
506.14804	6.1
519.16949	1.8
519.84015	1.8
537.15833	9.4
537.21918	5.4
537.29004	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.8
59.01377	8.7
71.01376	6.5
73.02959	3.2
75.00874	1.7
83.01398	2.1
85.02970	3.0
87.00892	1.7
89.02451	6.7
93.03461	1.8
101.02421	2.5
111.00866	2.1
113.02448	3.8
116.92856	3.1
119.03474	1.4
121.02957	2.1
125.02435	3.7
129.01923	2.2
134.03642	1.5
147.03069	1.9
149.02432	4.8
149.04587	2.7
150.03203	5.6
153.98615	1.2
165.04337	1.2
165.05568	7.9
169.01468	3.0
173.04611	2.8
178.40053	1.5
191.05513	2.9
193.05057	3.7
195.06699	5.4
198.05618	3.3
210.05695	2.8
211.06439	1.5
212.07260	1.5
219.79202	1.3
222.09303	1.6
226.05170	4.2
227.05888	3.7
228.07030	12.5
228.10229	1.7
229.33571	1.4
239.05945	3.2
240.05142	6.2
240.10268	2.2
241.07492	1.4
242.11038	1.5
243.07660	6.4
252.09084	1.7
253.09859	1.7
255.07744	5.6
255.11383	1.5
256.06088	6.9
256.09790	4.4
257.06894	3.3
257.09369	2.9
258.06409	12.8
265.09857	4.4
267.07748	13.0
267.11349	9.5
268.10052	7.3
269.09735	2.4
269.12875	1.7
270.07788	1.6
270.11270	1.5
273.08801	32.3
278.06845	2.6
279.07806	3.0
280.08530	1.5
280.36279	1.5
281.09271	18.0
283.10953	13.4
285.09851	2.6
285.12509	9.2
286.10797	9.0
287.10437	2.8
288.95923	1.4
290.41412	1.4
293.09332	11.2
295.07199	11.7
295.10562	3.1
296.07986	17.5
299.10397	10.5
301.11847	11.9
311.10364	65.3
312.10626	4.2
313.08542	1.5
313.12015	3.9
327.12289	5.5
328.06967	1.5
329.11404	100.0
330.11905	3.4
347.12476	7.3
360.11969	1.4
362.22559	1.9
363.23846	6.5
373.10379	19.1
375.14471	4.1
387.11905	3.8
389.13135	2.9
405.12976	20.6
405.17899	1.9
434.37341	1.4
447.14087	3.1
481.26193	1.4
487.13690	7.8
505.14651	94.3
506.15152	7.1
537.16425	25.0
537.29120	4.7
538.17371	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	537.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69343	1.1
54.51572	1.4
57.03409	1.3
59.01369	3.1
62.08912	1.2
67.01891	4.0
67.92604	1.4
71.00175	3.0
71.01393	3.1
81.03468	1.4
85.02950	6.2
87.00872	2.4
93.03464	22.5
99.99933	1.0
100.04877	1.2
102.70041	1.1
109.02899	1.6
111.04486	6.5
127.04012	2.8
134.03714	2.3
135.04527	55.8
137.02428	6.4
145.91142	1.4
155.03500	5.2
161.02393	3.4
173.04541	100.0
174.04869	1.4
179.03491	64.4
183.02950	4.9
191.05609	44.0
191.07385	1.4
192.05911	1.4
353.08762	68.3
354.08966	2.9
405.13446	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
57.03451	5.6
59.01376	14.7
61.98817	3.4
62.66459	0.9
64.76260	0.9
67.01855	1.1
68.99821	1.7
69.03465	2.0
69.54193	5.3
71.01376	10.6
73.02949	4.8
75.00880	1.4
81.03457	9.6
83.01374	8.4
85.02941	5.3
87.00887	1.9
88.98812	3.2
89.02439	4.5
93.03445	8.7
95.01382	3.6
95.05006	5.6
97.02965	7.7
99.00866	2.2
99.04523	3.8
101.02441	5.5
107.05038	2.5
108.02084	1.3
109.02959	6.1
109.06608	1.5
111.00882	1.1
111.04503	4.3
113.02448	5.2
119.03475	2.3
119.05021	11.4
120.99644	1.5
121.02961	4.4
121.06578	1.6
122.03712	1.2
123.00931	1.4
123.04521	20.7
125.02451	17.4
129.01903	1.3
135.04518	7.0
137.02452	12.0
137.06096	9.0
139.04019	11.7
145.02980	1.3
147.04482	4.0
149.02484	1.8
149.06071	3.3
151.03990	4.2
151.07640	1.1
153.05585	1.7
155.03500	2.2
161.02399	1.4
161.06006	1.3
163.04016	5.1
163.07635	1.6
164.04742	1.9
165.01941	3.2
165.05548	8.5
166.02745	1.9
167.03490	35.9
172.76407	1.1
173.04535	2.1
173.06013	1.2
175.03900	1.5
177.01944	2.0
177.05553	3.8
179.03462	13.4
179.07092	1.7
180.04231	1.3
181.05026	2.9
183.13847	1.6
189.05576	9.9
191.03525	2.6
191.05423	1.0
191.07082	2.1
192.04221	1.0
193.05013	6.9
197.04604	7.1
203.03503	0.9
207.06645	1.7
209.04536	29.1
219.02902	2.1
219.06715	1.2
221.04532	6.4
227.12901	1.9
229.08755	2.1
231.06461	1.5
233.04546	1.6
235.06064	1.4
239.05579	15.3
251.05696	4.6
263.05566	3.0
269.06656	4.5
273.07843	4.9
275.05701	1.1
281.06729	1.2
285.07568	2.9
299.09439	1.2
315.08737	20.5
327.08688	11.4
341.10297	2.5
345.09772	9.2
354.07367	1.5
357.09778	94.9
358.10025	4.4
369.09760	4.0
371.11652	1.5
375.27380	3.3
387.10846	100.0
388.11172	6.0
389.25342	1.9
399.10736	4.9
407.53113	1.2
411.10822	2.7
417.11871	36.6
418.12122	2.7
429.11865	17.3
430.12085	1.7
441.11893	2.7
447.13080	29.9
448.13232	1.3
459.13004	14.5
460.13931	1.6
477.14099	10.6
519.15021	7.5
529.95801	1.1
536.31769	2.3
537.16217	17.8
537.23511	6.9
537.32941	19.2
538.16675	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.7
59.01380	19.0
60.99305	16.3
61.98841	1.2
69.57899	4.9
71.01388	8.0
71.05018	0.7
73.02945	3.2
75.00867	1.1
81.09895	0.7
83.01383	2.5
85.02950	10.0
87.00887	1.4
88.98805	95.7
89.02452	4.8
93.03431	2.0
95.01414	0.8
96.96044	0.9
99.00858	0.8
101.02457	5.9
103.00323	0.8
103.56279	0.7
107.01367	0.8
113.02483	3.4
119.03504	1.6
119.88389	0.7
125.02448	1.9
129.01910	1.2
131.03500	0.8
133.02979	1.8
137.02419	1.3
147.02931	1.2
149.04503	0.8
151.00371	2.5
161.04558	2.3
163.04030	1.3
163.06000	0.9
166.64925	0.7
173.04509	2.2
175.04015	1.0
179.05618	0.9
181.12491	1.1
191.01988	2.1
199.03893	1.4
202.94913	0.7
218.45511	0.8
225.11427	1.8
225.15012	0.7
227.12900	2.5
241.05020	0.8
243.12599	1.2
256.03827	2.5
258.06549	0.8
267.11264	1.2
281.09433	1.3
284.03244	38.1
285.04022	92.0
286.04382	3.1
287.15063	2.0
295.07315	0.8
296.07950	1.0
311.10394	4.4
327.04971	1.5
329.11316	4.9
330.11017	1.5
331.17599	2.4
345.13394	5.0
347.12360	3.3
373.09476	1.1
391.19641	1.8
405.12842	1.8
405.17554	2.0
423.09622	0.9
429.73032	0.8
433.24066	0.9
445.79633	0.8
447.09299	100.0
448.09796	6.0
475.08893	1.3
477.23450	13.2
495.24515	1.7
505.14499	7.0
537.21759	9.4
551.12921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
65.55370	0.4
69.54686	2.2
91.10569	0.5
109.48451	0.4
143.58817	0.5
177.71698	0.4
228.70467	0.5
339.12051	0.5
340.89056	0.6
452.69214	0.5
473.36649	0.9
496.58676	0.5
517.58008	0.5
543.60785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3126
Annotation	glas#24
Peak:m/z	Relative Intensity
55.01862	0.6
57.03460	1.1
58.00591	0.6
59.01381	11.7
60.99300	0.4
61.98834	1.5
63.90439	0.2
67.01891	0.2
69.03461	0.5
71.01383	8.2
71.53501	0.2
72.99305	0.6
73.02946	3.1
75.00861	0.2
81.03467	0.2
83.01388	1.3
83.05016	0.3
85.02956	3.2
85.45667	0.2
87.00872	2.3
88.98817	1.1
89.02445	4.7
93.03452	1.8
95.01392	0.7
95.18349	0.2
96.96024	0.2
97.06554	0.2
99.00868	0.7
101.02451	5.2
103.00379	0.3
111.00889	0.5
113.02460	2.6
119.03542	1.5
119.05012	1.5
120.05356	0.4
123.08161	0.5
123.52401	0.2
125.02448	0.7
125.09715	1.2
127.11303	0.6
129.01988	0.3
137.02443	1.2
137.09755	0.5
141.09303	0.2
145.02939	0.2
153.09244	0.3
155.10817	0.5
161.04558	0.2
163.04002	2.2
164.04282	0.3
171.10266	3.7
173.04533	0.9
191.05594	0.5
201.15079	0.2
209.11707	0.2
211.13383	0.5
227.12874	0.2
229.14426	0.6
279.98016	0.2
301.12369	0.2
325.23917	0.3
327.21674	0.6
337.23422	0.2
343.24725	0.4
355.24893	3.8
361.18359	0.2
371.24335	0.3
373.25912	13.5
374.26233	0.8
392.20377	0.3
403.19693	0.8
461.65692	0.2
505.30200	0.4
509.21634	0.2
517.30292	2.0
535.31232	100.0
536.31567	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	535.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	13.8
59.01379	100.0
60.69999	1.2
60.99304	1.2
65.36927	1.2
67.01897	2.0
67.05523	1.2
69.03458	1.4
69.26012	7.3
69.26418	2.3
71.01009	1.9
71.01380	26.4
72.99281	2.0
73.02950	6.3
83.01382	3.9
83.04994	2.2
85.02949	10.8
87.00880	5.7
89.02448	40.9
93.03463	6.9
95.01380	1.3
96.96006	2.4
99.00867	1.9
99.04516	4.2
101.02441	14.5
103.00368	1.3
111.00890	8.4
111.04509	2.4
113.02452	13.3
119.03510	11.8
119.08652	3.5
124.05393	1.2
127.00341	1.9
129.01958	4.9
131.03503	4.0
132.04529	4.7
134.03615	1.3
134.06117	3.3
135.11786	3.0
137.09718	4.8
138.05612	3.4
143.03500	2.6
149.04549	42.7
155.10768	2.0
161.04501	2.1
161.09749	4.1
163.07640	1.6
173.04558	5.5
176.03491	1.2
179.05595	8.7
179.10768	32.7
181.08696	15.2
190.05130	1.3
191.01973	2.9
191.05618	4.3
197.11826	29.8
199.09671	1.5
201.11308	3.8
209.11778	2.0
223.09741	33.3
224.09828	2.1
241.10811	33.5
251.11865	2.1
267.07214	1.9
280.08591	2.9
283.11716	1.9
295.10849	10.1
311.10318	1.2
313.11856	4.9
327.13507	2.9
339.09842	2.5
355.13867	3.2
357.10941	2.2
361.22308	10.9
373.15012	66.6
374.15350	4.7
389.13434	15.3
403.16052	19.1
415.15918	2.1
415.23276	1.4
447.22180	8.2
459.17743	1.6
475.25507	1.6
503.17282	12.8
535.20367	87.5
536.20679	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	535.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03450	11.7
58.00579	1.4
59.01379	96.8
60.01723	0.9
60.22788	0.9
67.01887	0.9
67.05515	1.2
69.03442	0.8
71.01382	15.5
71.04995	1.3
71.53373	1.0
72.06633	0.8
72.99287	0.9
73.02948	9.5
81.03477	0.8
83.01382	3.5
83.05017	2.4
85.02959	6.1
87.00861	4.2
88.98775	1.3
89.02444	17.9
93.03463	2.3
95.01408	1.3
96.96001	2.8
97.06581	1.3
99.00877	1.1
99.04511	4.6
101.02440	8.3
111.00895	1.6
111.04501	2.4
113.02431	7.3
115.07646	1.5
116.92833	1.6
119.03510	5.2
119.08651	2.5
125.02422	1.2
127.00385	1.8
127.11298	1.5
129.01949	2.1
131.03477	2.7
132.04556	1.1
133.10205	1.5
134.03766	0.9
135.08154	2.8
135.11789	1.4
137.09747	6.8
141.05643	1.1
143.03471	1.1
145.01416	1.2
149.04555	11.7
149.41551	0.8
155.03482	1.2
155.10788	1.1
161.04492	1.3
161.09698	5.4
163.07645	1.2
171.10236	1.1
173.04593	5.0
176.03497	0.9
179.05606	3.1
179.10770	14.2
181.08708	15.5
191.02005	1.2
191.05687	2.0
193.05087	0.8
197.11830	48.3
198.12119	2.4
199.09718	1.2
201.11322	9.3
205.08772	0.9
209.11789	4.0
223.09758	14.6
241.10809	100.0
242.11247	4.5
256.57202	0.9
260.25165	0.9
265.10730	0.8
283.11899	2.0
297.36450	0.8
311.10214	0.9
343.13895	1.1
355.14056	3.8
361.22299	15.4
373.10449	1.5
373.15005	23.0
374.15289	1.3
389.13150	1.4
403.16086	30.8
404.16315	1.4
408.32993	0.9
416.27637	0.7
447.22095	0.9
475.25519	1.9
503.16360	2.6
535.20197	52.8
535.27698	14.3
536.20654	3.4
536.27960	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	535.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79638	0.8
51.43410	0.9
55.01866	1.3
56.89204	0.9
56.99710	0.8
57.03448	96.4
59.01382	18.6
60.99322	0.9
61.98816	2.1
69.49866	6.7
71.01390	9.1
73.02956	5.6
83.01390	14.8
85.02952	4.5
87.00890	1.0
88.98806	3.6
89.02441	5.9
93.03459	1.3
99.00874	2.5
99.92625	1.0
101.02436	18.5
103.00381	3.8
104.96693	1.0
109.88531	0.8
111.08150	2.2
113.02471	6.6
116.92862	11.7
117.01950	3.0
119.03488	2.2
125.02391	1.7
126.73976	0.8
127.00372	73.1
137.02364	1.5
141.04532	0.9
145.01422	16.1
161.04532	2.1
163.02484	11.6
163.04004	2.6
163.75906	1.0
165.12834	27.6
166.13177	1.2
171.10307	1.5
173.04482	1.2
175.02516	2.6
183.13890	56.2
184.14198	2.5
197.15479	1.2
209.11829	3.7
227.12880	100.0
228.13158	3.5
251.12840	4.2
269.14011	1.0
283.15497	2.9
287.05396	1.2
300.02582	1.3
301.03528	2.2
314.53473	0.9
355.14069	3.1
355.24783	2.0
359.17117	1.4
373.15015	17.9
373.25891	7.5
389.18091	19.5
390.18384	2.3
445.07727	3.0
535.20313	67.5
535.31110	48.8
536.20605	4.8
536.31366	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	535.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.2
57.03451	15.0
59.01377	38.3
59.25912	1.4
61.98821	4.0
67.01846	1.6
69.03461	9.5
69.81811	1.5
70.45159	1.2
71.01376	39.0
71.52805	1.3
72.99306	14.5
73.02932	5.8
75.00478	2.2
75.00876	37.8
79.01865	1.4
83.01387	3.4
84.02176	1.6
85.02455	2.8
85.02950	41.9
87.00876	13.4
89.02444	15.3
93.03441	6.0
93.51385	1.4
95.01371	2.3
96.95947	2.7
99.00914	7.6
101.02435	10.9
102.12664	1.6
103.00370	7.3
111.00874	5.0
111.04507	2.3
113.02452	29.0
115.00312	2.2
117.01900	1.9
119.03513	2.4
119.05021	1.7
121.02907	1.7
122.06121	4.2
124.07678	3.0
125.02457	3.3
129.01924	8.2
131.03520	2.6
132.04552	23.3
133.05289	6.1
134.06122	3.3
135.02980	4.3
135.49461	1.4
141.14276	1.6
147.03049	3.4
149.04536	4.1
150.05583	3.0
151.03951	2.2
159.02965	1.5
160.03972	4.1
160.05251	2.8
161.04588	2.9
162.05554	1.9
163.03984	1.7
165.04279	12.5
172.05247	2.2
173.04514	3.5
175.02495	3.0
175.07645	2.8
176.07219	2.4
179.10716	1.8
183.10416	1.7
185.00911	7.6
186.09209	2.2
190.05013	2.0
191.02003	5.1
191.05588	4.4
193.03517	19.6
209.03186	4.0
209.07306	1.5
212.10928	2.3
215.11800	5.1
223.09723	4.1
224.09444	4.4
226.07425	4.3
227.08150	3.8
229.09779	2.2
239.08234	2.4
239.11945	8.7
240.10406	2.6
241.09737	10.9
243.12402	2.6
253.06322	9.2
254.06746	2.3
255.07701	1.9
255.11377	5.3
257.12985	16.1
265.09875	1.8
267.07788	4.0
268.08441	3.4
269.13852	1.7
271.02554	1.7
281.09216	3.9
283.10873	54.8
284.11102	1.9
301.12000	8.5
309.08783	19.8
315.01486	3.9
316.02188	4.6
327.09760	19.7
329.13968	4.1
331.04553	4.2
341.14078	1.9
345.10849	34.6
346.11230	3.2
359.12427	2.0
361.18604	8.0
361.22458	2.3
371.08862	16.3
387.15869	2.1
403.11334	15.0
403.16187	3.6
404.11676	2.3
415.23480	4.0
447.18695	4.7
459.14175	9.6
503.13077	100.0
504.13562	8.8
535.18121	94.1
536.18610	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	535.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.3
59.01381	4.8
60.36197	0.5
60.99306	16.1
69.03464	0.9
69.77470	1.3
69.77884	1.7
71.01383	2.8
73.02941	1.3
75.00880	1.3
76.73396	0.5
79.50770	0.4
81.03454	0.9
83.01383	1.4
83.69637	0.6
85.02957	6.4
87.00879	1.3
88.98804	100.0
89.02434	1.4
93.03459	1.7
95.01393	0.8
95.05045	1.0
95.20045	0.5
96.95984	0.8
97.02965	0.9
99.00871	1.2
100.47591	0.5
101.02425	0.7
101.06073	0.7
103.00376	0.8
111.00858	0.7
111.04481	0.5
113.02443	7.3
115.00430	0.5
117.03468	0.8
120.99651	1.1
123.04539	0.9
123.79112	0.5
125.02451	2.0
125.06084	1.9
129.01891	0.7
132.04570	0.6
132.13895	0.6
137.02383	0.7
139.03952	1.3
147.03154	0.7
165.09210	0.5
166.09482	0.8
167.03450	1.8
168.03845	0.9
173.04514	0.9
174.33125	0.5
175.02490	3.3
178.93832	0.5
191.01962	1.6
191.05646	0.8
197.04543	0.9
203.89923	0.5
209.04514	0.7
209.08183	1.1
210.04840	0.6
210.08476	0.6
225.11198	0.6
230.28900	0.6
239.11775	1.0
241.09636	0.5
251.09195	2.3
252.09579	1.3
253.06084	0.6
253.09842	0.7
259.40164	0.6
263.09525	0.5
264.09412	0.6
265.09763	0.9
269.04535	20.2
270.04755	1.0
281.10190	0.7
283.10849	3.5
293.10291	5.9
294.10687	6.4
295.10818	6.0
309.08929	0.9
323.11319	3.9
324.11703	4.1
325.11960	4.3
327.09824	1.6
345.10681	0.7
353.12204	1.0
354.12650	1.3
355.12955	1.4
371.08734	0.7
397.13986	0.6
403.11478	1.4
413.14291	0.7
414.14749	1.0
415.15088	2.0
427.15115	0.7
445.07739	4.2
459.13907	0.6
503.13132	2.2
520.13251	0.5
534.18903	0.8
535.18170	2.6
535.32031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43318	0.2
52.52457	0.2
57.03393	1.3
59.01322	2.5
61.98770	2.4
67.01870	0.2
69.03403	0.5
71.01321	1.4
71.53812	0.2
72.99254	0.2
73.02956	0.8
81.03431	0.4
83.01356	0.3
83.05032	1.0
85.02893	0.7
87.00826	0.8
88.98765	0.3
89.02453	1.1
93.03459	2.6
97.02873	0.2
97.06524	0.2
101.02367	0.8
102.95736	0.2
109.02912	0.3
111.04516	2.7
111.08122	0.2
113.02419	0.4
116.92802	0.3
125.02375	0.6
127.03945	0.3
127.11259	0.4
127.58999	0.2
128.92633	0.2
129.01872	0.3
131.03430	0.2
137.02431	0.8
137.09685	0.3
139.03929	0.3
141.12799	0.4
149.04572	1.6
151.03925	0.3
155.02293	0.2
155.03496	3.2
155.10828	0.2
155.14479	0.2
163.03917	0.2
167.03331	0.2
173.04553	7.0
174.04845	0.2
183.13803	0.2
185.11763	0.5
191.05594	0.6
215.75000	0.2
253.21849	0.2
257.08160	0.3
267.23285	0.2
271.22705	0.3
280.18362	0.2
295.22751	0.4
309.24265	0.2
311.22256	1.0
311.25848	1.0
313.23816	6.0
314.24179	0.3
323.25854	0.2
325.23605	0.2
327.25488	0.2
339.25433	0.3
341.26886	1.4
357.26434	0.9
359.28021	100.0
360.28387	5.7
371.24286	0.4
419.13580	0.2
468.17737	0.2
473.28137	0.3
489.23700	0.3
497.21631	0.4
533.33447	30.3
534.33881	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	534.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.15196	4.8
69.15619	2.4
75.69817	0.7
96.66463	0.6
113.27252	0.7
164.34993	0.7
282.54602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43441	0.8
57.03440	3.2
59.01381	81.9
60.01710	0.8
61.98814	1.6
66.88263	0.9
71.01386	4.8
73.02936	3.7
83.05031	1.4
85.02950	2.3
87.00884	1.6
88.54113	1.0
89.02450	8.9
93.03435	1.6
96.96018	4.9
98.95615	1.7
99.04530	4.6
101.02445	2.7
108.66794	1.0
113.02416	1.6
116.92860	2.6
125.02391	1.9
131.03473	1.7
139.54794	1.1
149.04555	23.1
154.78415	1.1
154.79913	1.0
163.03908	1.5
163.11191	1.1
165.12856	7.0
173.04514	2.4
189.12895	1.4
191.05608	2.8
207.13896	13.1
209.11819	15.8
225.14995	5.7
241.80931	1.0
242.39709	1.0
251.12897	5.2
269.13931	100.0
270.14255	2.6
275.34146	1.1
285.04080	3.1
313.03473	1.6
329.06708	1.5
329.11023	1.2
353.23438	1.6
371.24374	3.8
383.16989	1.1
401.18115	59.9
402.18414	3.6
533.13818	2.0
533.22290	57.1
533.29718	19.0
534.22418	4.8
534.29907	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	533.2967
Annotation	fatsicarpain B
Peak:m/z	Relative Intensity
51.85002	0.2
55.01874	0.7
56.48841	0.2
57.03434	1.0
58.00588	0.7
59.01380	17.5
60.42430	0.2
61.33599	0.3
61.98833	1.9
65.37286	0.2
66.35145	0.2
68.99570	1.1
69.03453	0.4
69.25589	1.7
71.01383	11.5
71.05016	0.5
72.99303	1.0
73.02951	4.0
75.00842	0.3
83.01389	1.8
83.05020	0.3
85.02954	5.1
86.03217	0.3
87.00896	1.1
87.04504	0.5
89.02449	5.4
90.14504	0.2
93.03455	0.6
95.01398	0.8
97.02977	0.4
97.06557	0.4
98.20625	0.4
99.00873	1.2
101.02442	6.0
111.00888	0.5
111.04546	0.5
112.98561	1.0
113.02456	3.8
116.60464	0.2
116.92854	0.5
119.03532	1.5
119.05026	0.6
123.08118	0.6
125.02409	1.1
125.09739	2.0
127.11319	0.2
131.03485	0.5
134.03773	0.3
137.02440	0.4
137.09731	0.4
139.11308	0.5
143.10669	0.3
149.04556	0.5
155.03465	0.7
155.10770	0.3
159.02975	0.9
161.04558	2.1
163.03989	0.6
163.11186	0.3
165.12933	0.2
171.10271	3.6
173.04623	0.4
175.04021	0.2
183.13902	0.4
185.11781	0.3
191.05540	0.4
191.07224	0.3
197.93109	0.2
200.10612	0.3
215.12877	0.5
217.03427	0.3
227.12796	0.5
259.06268	0.3
287.05609	0.5
315.18045	0.7
323.22293	0.5
341.23291	2.1
353.23312	4.8
355.24921	1.1
359.16745	0.3
371.24377	11.3
371.29102	0.5
372.24655	0.6
373.25772	0.4
401.21194	0.4
401.25403	0.9
429.20810	0.3
447.22162	1.7
489.23428	6.2
490.23740	0.5
515.28363	0.9
533.29651	100.0
534.30060	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	533.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.6
57.03440	2.3
59.01380	92.4
61.98792	3.0
66.17757	1.7
70.84992	5.3
71.01384	46.3
73.02937	22.4
78.72101	1.7
83.01357	3.4
85.02958	18.0
87.00877	3.7
89.02449	15.0
90.95631	1.8
93.03395	1.8
95.01388	4.3
96.69466	2.0
97.02946	2.0
99.00866	13.9
101.02444	28.6
111.00855	2.5
113.02432	18.0
119.03473	3.1
129.01958	2.0
131.03529	2.0
149.04527	3.5
155.03523	2.1
159.03079	3.3
161.04549	19.1
173.04518	2.5
177.99802	1.8
179.05515	2.1
183.99365	2.0
184.09860	1.7
188.06494	1.8
191.05591	2.5
232.84119	1.8
273.35614	1.8
315.17984	7.4
357.19412	2.2
359.28040	32.4
401.25305	2.2
447.22379	35.2
462.71396	1.9
489.23453	100.0
490.23633	5.8
533.30634	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	533.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.4
59.01378	72.7
61.98817	5.0
67.01909	1.4
69.03458	1.3
69.18580	2.3
69.18989	9.3
71.01379	10.1
73.02934	5.7
74.16479	1.0
74.52296	1.0
81.03441	1.7
83.05029	2.6
85.02945	3.6
87.00871	3.4
87.04499	1.7
89.02448	10.5
93.03447	7.8
96.96007	20.7
99.00803	2.1
99.04511	3.4
101.02438	3.6
104.26139	1.3
111.00875	1.5
111.04536	7.6
111.08170	1.9
113.02457	3.3
113.06071	1.8
115.04012	1.5
116.92841	2.2
119.05039	2.0
125.02422	2.2
131.03511	2.5
137.02385	3.4
149.04538	31.6
155.03506	6.6
161.04538	2.4
163.04041	2.9
165.12836	30.6
167.03424	1.4
173.04544	19.4
183.13896	72.2
189.66138	1.3
191.05615	8.1
207.13885	14.7
209.11821	18.6
213.11333	2.5
225.14915	3.7
227.12874	47.7
228.12949	1.6
251.12878	5.0
261.92215	1.5
269.13925	100.0
270.14230	3.3
285.04065	7.9
359.16766	5.9
369.15598	2.5
371.24323	3.5
383.17157	3.5
387.23700	1.3
401.18130	87.7
402.18301	3.7
489.10574	3.0
533.22351	86.4
533.29602	16.4
534.22662	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	533.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.6
57.03440	2.3
59.01380	92.4
61.98792	3.0
66.17757	1.7
70.84992	5.3
71.01384	46.3
73.02937	22.4
78.72101	1.7
83.01357	3.4
85.02958	18.0
87.00877	3.7
89.02449	15.0
90.95631	1.8
93.03395	1.8
95.01388	4.3
96.69466	2.0
97.02946	2.0
99.00866	13.9
101.02444	28.6
111.00855	2.5
113.02432	18.0
119.03473	3.1
129.01958	2.0
131.03529	2.0
149.04527	3.5
155.03523	2.1
159.03079	3.3
161.04549	19.1
173.04518	2.5
177.99802	1.8
179.05515	2.1
183.99365	2.0
184.09860	1.7
188.06494	1.8
191.05591	2.5
232.84119	1.8
273.35614	1.8
315.17984	7.4
357.19412	2.2
359.28040	32.4
401.25305	2.2
447.22379	35.2
462.71396	1.9
489.23453	100.0
490.23633	5.8
533.30634	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	533.224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67665	0.5
55.01880	1.8
57.03454	2.3
59.01381	57.1
61.98834	5.0
69.03473	1.6
69.46349	3.9
71.01383	35.6
72.99322	1.7
73.02946	18.6
75.00903	0.6
83.01415	2.5
85.02956	12.4
87.00888	4.3
88.98804	0.8
89.02444	37.0
93.03475	1.1
93.05672	0.5
95.01411	1.7
96.95995	0.8
97.02973	1.6
99.00880	10.0
99.04588	0.7
101.02446	20.9
102.17848	0.5
103.00369	1.2
103.04037	1.8
111.00906	1.1
113.02456	13.3
116.92888	1.1
119.03517	2.9
119.05029	1.1
123.04503	0.6
125.02455	2.8
129.01920	0.7
131.03499	9.3
135.04530	0.6
137.02457	1.9
143.03493	1.9
149.04556	100.0
150.04933	1.2
153.05585	1.2
155.03600	0.6
159.03011	3.0
161.04568	12.0
163.04045	1.6
163.06146	0.9
173.04497	1.2
179.05545	0.8
183.13812	0.8
185.11816	0.6
191.05579	3.7
199.58981	0.5
203.05682	1.2
209.11581	0.7
215.12953	1.2
220.88872	0.6
227.12744	0.9
233.06618	0.9
288.13745	0.6
315.18103	6.8
339.25363	1.4
353.23550	0.8
357.19162	1.9
357.26581	0.7
371.24313	1.3
373.26190	1.0
383.24326	1.6
401.25500	7.8
447.22375	5.1
489.23407	26.1
490.23773	2.0
533.22455	4.7
533.29590	54.4
534.29718	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	533.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03453	2.0
58.00621	0.9
59.01381	61.5
61.98830	5.3
69.03461	1.3
69.38673	3.9
71.01383	31.6
72.99326	1.4
73.02946	18.2
81.03478	0.5
83.01399	3.3
85.02946	10.9
87.00879	4.6
89.02446	34.5
93.03446	0.7
95.01400	2.1
96.96014	0.6
97.02978	1.2
99.00881	9.8
101.02445	18.8
101.03117	1.1
103.04017	2.0
111.00898	1.1
112.98555	0.6
113.02456	11.1
115.04040	0.6
116.92896	1.9
119.03500	1.6
119.05020	1.6
123.04535	0.6
125.02444	3.5
131.03516	9.6
143.03513	2.1
149.04558	100.0
149.60980	0.5
150.04895	1.6
153.05569	0.7
155.03545	0.7
159.02997	3.3
161.04547	10.8
163.03996	1.7
169.07465	0.6
171.10271	0.5
173.04549	0.8
175.07159	0.5
183.13976	0.9
188.63719	0.6
191.05600	3.2
203.05603	0.8
209.11850	0.5
215.12898	0.5
233.06886	0.7
315.18106	5.9
318.45743	0.5
339.25354	1.5
353.23434	0.7
357.19186	2.1
371.24344	1.1
383.24380	1.6
401.21344	0.5
401.25522	6.4
447.22299	5.4
489.23419	25.7
490.23862	1.8
533.22327	4.7
533.29578	48.2
534.29999	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	533.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.4
59.01368	3.2
60.65409	0.6
61.98830	11.5
63.65317	0.6
69.03453	1.1
71.01370	1.0
71.05015	1.4
71.53687	1.1
72.87713	0.5
79.05539	4.8
81.03462	4.8
82.03667	0.6
82.97770	0.5
83.01389	5.9
99.04517	14.1
99.08156	12.3
108.38254	0.7
111.04527	0.9
113.02441	0.8
119.05016	1.9
123.04524	54.7
124.04857	1.2
125.02463	3.5
125.06087	19.3
130.05180	0.6
135.04523	15.4
137.02467	2.6
139.11304	5.1
140.81305	0.6
141.09215	29.9
148.92247	0.6
149.02409	1.1
157.35809	0.5
163.04019	4.1
163.11278	17.7
164.10388	0.6
165.09229	0.7
177.05537	2.3
183.10201	1.9
207.10251	100.0
208.10605	2.6
219.10249	47.0
220.10600	1.7
225.11313	56.4
226.11635	2.0
235.09734	0.7
237.11272	1.7
261.11295	8.2
277.14511	1.6
319.15488	32.6
320.15842	1.8
361.20230	18.2
362.20523	1.3
413.15778	0.8
427.21259	2.9
445.22269	1.1
471.20209	11.8
472.20813	1.0
489.21304	8.5
490.21063	0.8
497.31305	0.6
533.12695	0.5
533.20190	11.0
533.33087	1.4
534.20605	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16462	0.2
55.01896	0.3
55.48948	0.2
57.03447	1.2
59.01375	3.4
63.10979	0.2
65.00362	0.6
67.01936	0.3
69.03455	6.2
69.03800	0.4
71.01406	1.0
71.53358	0.3
73.02977	0.3
75.00896	0.4
79.01937	0.2
81.03462	2.9
83.01424	0.9
83.35426	0.2
84.95184	0.3
85.02966	1.2
87.00909	0.5
89.02467	0.7
93.03499	0.8
95.01421	0.5
96.18171	0.2
96.96040	0.6
97.02934	1.6
99.00883	1.8
99.01439	0.2
99.08177	0.6
101.02448	0.5
101.06127	0.4
107.01429	0.3
109.02934	0.4
109.70827	0.2
111.00932	0.5
111.04584	0.2
113.02471	0.5
117.03494	0.4
123.04614	0.2
123.08140	2.0
124.01684	0.8
125.02453	4.9
125.06091	3.5
129.01932	0.5
135.03046	0.3
135.04535	0.3
136.05322	0.5
137.02455	0.4
141.01938	0.4
141.09259	0.7
145.44577	0.2
147.08192	0.8
149.02460	0.8
151.00412	1.0
154.01456	5.1
165.04068	0.9
165.09204	24.4
166.09535	0.7
167.07127	0.4
173.04643	0.4
175.00383	0.4
177.09280	0.4
179.03476	0.4
179.07175	0.5
179.10773	0.8
185.00912	5.8
191.05615	0.7
191.07156	1.3
193.08704	0.6
205.08746	0.7
208.07455	0.4
209.08186	100.0
210.08513	3.0
215.07210	0.5
221.08148	0.5
223.09714	2.1
223.13390	0.3
233.08174	19.1
234.08430	0.4
235.09714	0.3
251.06682	0.5
251.09242	6.3
263.09244	2.5
281.10168	0.6
283.06201	0.7
293.10443	0.5
295.06128	0.6
297.07669	1.8
309.07385	0.4
311.05548	0.5
311.11337	1.2
315.05472	0.3
323.05508	0.4
323.11337	2.0
325.07040	1.0
328.05917	0.5
336.92215	0.3
337.06821	0.3
341.06448	0.3
347.16846	0.4
353.06662	3.6
353.12369	1.3
354.06735	0.4
365.06570	0.8
371.13443	36.4
372.13831	2.1
383.07666	3.2
385.14374	0.3
413.08908	0.4
413.14429	0.4
425.14752	0.3
443.09778	1.4
447.29187	0.3
473.10641	0.8
490.12088	1.9
533.12646	12.0
533.19232	1.2
534.12982	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
67.01886	0.9
69.03449	1.7
71.01357	1.6
73.02971	1.3
81.03447	5.2
83.01388	6.9
85.02940	1.4
93.03462	1.8
95.01391	2.4
95.05024	3.5
97.02950	4.2
99.04520	1.0
99.08170	1.8
101.06059	3.4
107.05051	1.5
108.02171	1.6
109.02943	2.5
109.06560	1.0
111.04514	3.4
113.02455	2.4
121.02925	2.1
123.00919	0.8
123.04531	4.8
123.08176	1.7
125.02431	10.0
125.06078	12.4
127.07664	1.1
135.04526	1.7
136.05254	1.1
137.02441	3.0
137.06091	2.1
137.09741	1.0
139.04015	7.0
141.39130	0.9
147.04512	1.1
149.02400	1.0
150.69801	0.8
151.03986	1.6
155.03462	1.0
164.04803	1.4
165.01898	2.1
165.05577	2.2
165.09195	7.9
165.56442	0.8
167.02156	1.5
167.03496	17.6
167.04915	0.9
177.09181	1.8
179.03514	1.7
179.10730	3.9
181.05099	0.8
181.08675	3.9
183.10294	1.1
193.08684	0.8
197.04568	4.0
205.08679	3.1
207.06570	2.1
207.10257	1.8
209.04561	12.0
209.08168	10.0
219.10118	1.0
221.08170	4.6
221.11766	1.7
222.08893	1.6
223.09741	0.9
231.10307	1.8
233.08205	1.1
235.09853	4.0
239.05606	5.0
247.09679	1.5
251.09215	23.9
252.09546	1.6
255.02960	1.5
262.08463	0.9
263.09262	10.1
263.72943	0.8
264.09818	1.0
265.10651	1.9
275.09308	2.0
277.10748	2.3
281.10297	8.8
284.03250	4.5
285.04019	1.3
291.08850	1.0
293.10306	100.0
294.10730	3.9
305.10297	5.7
307.11853	1.3
317.10196	1.1
323.11337	69.6
324.11649	3.4
335.11423	4.0
353.12378	22.2
354.12570	1.0
365.12149	1.0
395.13416	9.1
407.13922	0.9
413.14493	21.8
414.14661	1.2
425.14474	5.9
443.15509	2.9
470.12375	1.0
489.10403	3.1
515.17688	2.1
533.18616	18.8
534.18860	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01385	1.4
61.76924	0.2
67.01872	0.3
69.35026	1.7
71.01368	0.8
73.02944	0.3
81.03433	0.4
85.02955	8.4
87.00875	2.3
89.45876	0.2
91.87541	0.2
93.03458	2.6
99.04513	0.4
109.02952	0.8
111.04503	0.9
117.50317	0.2
127.04015	2.5
127.35492	0.2
129.01964	0.9
132.60150	0.2
147.03014	0.2
150.57567	0.2
152.23589	0.2
155.03552	0.2
157.02249	0.2
171.02997	0.8
173.04524	1.3
191.05608	100.0
192.05936	2.5
437.40097	0.2
448.10776	0.3
520.60553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25343	0.5
57.03449	1.1
59.01356	1.6
68.43031	0.6
69.03448	0.6
69.32340	4.1
71.01366	1.8
73.02937	0.9
75.57352	0.6
81.03452	3.9
82.63316	0.6
83.01391	5.0
85.02927	1.3
87.00926	0.7
87.59485	0.5
93.03443	1.4
94.42334	0.6
95.01389	1.4
95.05037	3.9
97.02927	3.2
99.04543	0.6
99.08149	1.6
101.06097	2.9
107.05008	1.7
108.02121	0.8
109.02935	2.1
109.06560	0.9
111.00830	0.9
111.04495	2.1
113.02425	1.9
121.02917	1.7
121.06564	0.7
122.03814	0.7
123.00858	0.7
123.04526	5.0
123.08177	1.0
125.02447	8.4
125.06078	10.8
125.18561	0.6
127.07681	0.9
129.87390	0.6
135.02971	1.3
135.04510	1.0
136.05295	0.8
137.02428	3.2
137.06039	1.0
139.04010	6.1
147.04475	1.0
147.08199	0.7
149.02472	0.8
151.03992	1.4
153.05600	0.7
155.03545	0.9
163.03972	0.8
164.04832	0.8
165.01862	1.4
165.05499	1.0
165.09175	7.1
166.02623	0.7
167.03493	15.0
169.05002	0.8
176.72569	0.5
176.79723	0.5
176.92906	0.6
177.09195	2.3
179.03481	1.3
179.10838	3.5
181.05048	0.8
181.08702	4.4
183.10249	1.3
189.09186	0.5
191.03506	1.1
191.10756	1.0
193.08682	1.0
197.04553	4.3
205.08646	2.1
205.12257	0.6
207.06573	2.0
207.10213	1.7
209.04558	8.8
209.08151	9.9
217.08795	0.6
219.06740	0.6
219.10162	0.7
221.08194	3.7
221.11623	0.9
222.08870	0.7
223.09677	1.4
227.05602	1.2
231.10191	1.3
233.08138	1.4
235.09804	2.7
236.10605	0.7
239.05583	3.9
249.11348	1.3
251.09222	22.6
252.09601	0.9
263.09256	8.5
264.09464	0.6
265.10779	1.8
269.06503	1.3
275.09241	1.4
277.10773	2.5
279.04089	0.5
281.10297	6.2
290.07941	0.9
293.10312	100.0
294.10562	4.2
305.10291	4.6
307.11841	1.0
323.11346	67.3
324.11743	3.5
335.11316	3.1
353.12411	18.5
354.12854	0.6
365.12350	1.4
377.12204	1.1
380.84586	0.6
395.13492	8.3
413.14481	24.7
413.19958	1.3
414.14822	0.9
425.14456	5.9
443.15417	2.7
515.17499	1.6
524.78003	0.7
533.18805	22.3
534.18988	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.5
71.01373	1.1
71.58092	0.2
79.01901	0.4
85.02923	0.4
87.00837	0.3
89.02448	0.4
93.03458	1.1
94.07008	0.3
105.03463	0.4
106.14738	0.3
110.48436	0.3
113.02452	0.3
117.03460	3.8
119.05014	1.0
131.04996	0.4
133.06630	0.5
135.04518	1.7
147.04489	0.5
149.02434	1.4
149.06041	0.5
152.56273	0.3
159.04466	0.8
161.02451	1.9
161.06145	0.5
163.03967	1.0
171.04576	0.3
173.06087	0.3
175.04019	1.5
177.01918	0.6
177.05551	1.3
179.03499	0.6
187.03937	0.3
189.01906	0.6
189.05563	0.5
191.03514	0.9
193.05016	0.4
196.05406	0.3
197.06107	0.5
203.03456	0.9
205.01465	0.4
205.04941	0.7
209.06042	0.3
217.05029	0.6
221.04562	0.9
224.08369	0.4
225.05620	0.3
225.09302	0.3
231.02899	0.3
233.04471	0.7
238.06194	0.4
243.56439	0.3
245.04488	0.5
251.07123	0.5
253.08669	0.5
267.06680	0.8
268.07367	0.8
279.06653	0.5
280.03687	0.3
281.04587	0.8
282.05423	2.0
283.06119	3.5
284.06097	0.3
293.04764	0.4
295.06161	4.2
296.06903	2.3
297.07666	16.5
298.07922	0.9
305.03717	0.4
307.06107	1.7
309.07706	2.0
311.05609	3.8
319.06122	0.5
321.04181	0.3
321.07977	0.4
323.05557	3.4
324.06232	0.9
325.07150	8.1
326.07745	0.3
328.05905	3.0
335.05658	1.5
337.07178	2.9
341.06741	0.5
351.05045	0.5
353.06647	30.5
354.07114	1.5
355.08249	1.3
356.05334	0.8
365.06607	5.8
377.06857	0.5
379.08173	0.7
381.06247	0.5
383.07700	23.9
384.08057	1.1
395.07593	2.6
407.07593	1.0
413.08771	2.4
419.07990	0.3
425.08698	1.8
431.74817	0.3
437.08475	0.4
443.09790	14.4
444.10059	0.6
455.09964	0.8
473.10901	5.8
515.12213	2.1
533.12982	100.0
534.13391	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
57.07651	0.2
59.01385	2.1
61.98835	0.3
65.00330	0.4
65.24822	0.2
69.03458	1.5
70.71091	0.4
70.71407	0.3
71.01379	1.0
73.02942	0.3
75.00863	0.4
80.91704	0.2
81.03461	3.6
83.01404	1.0
85.02969	0.8
85.05215	0.2
87.00870	0.4
90.99930	0.2
92.15881	0.3
93.03469	0.9
94.49678	0.2
95.05050	0.2
96.95996	0.3
97.02940	0.4
99.00893	0.3
99.08173	0.8
101.02423	0.4
101.06096	0.6
107.01357	0.5
107.05081	0.3
111.04536	0.3
113.02505	0.6
117.03461	1.4
119.04996	0.3
120.99606	0.3
121.02993	0.4
121.06644	0.3
123.08179	1.5
125.02464	4.5
125.06091	4.1
129.01970	0.4
132.50682	0.2
135.04521	0.8
136.05299	0.6
136.56787	0.2
137.02374	0.3
139.04021	0.3
141.01924	0.4
141.09241	0.5
141.97180	0.2
147.08177	0.4
149.02460	1.4
149.06068	0.3
151.00401	0.9
152.01176	0.7
154.01463	1.3
157.82365	0.2
159.02968	0.3
161.02438	0.7
163.04019	0.6
165.04041	0.5
165.09209	26.3
166.09563	0.6
167.03450	0.5
173.04582	0.3
173.06009	0.3
175.00340	0.3
175.03944	0.5
175.07654	0.3
177.01929	0.4
177.05611	0.4
179.07121	0.4
179.10774	0.4
181.08661	0.2
185.00885	1.1
189.01958	0.2
191.03545	0.4
191.05612	0.4
191.07088	1.2
193.08713	0.4
194.98053	0.2
197.04494	0.2
203.03581	0.4
205.08762	0.8
208.07463	0.3
209.08189	100.0
210.08528	2.4
215.07112	0.6
221.04562	0.3
221.08144	0.5
222.08951	0.3
223.09776	2.0
233.08183	18.9
234.08482	0.5
241.10823	0.3
251.06770	0.6
251.09253	7.1
263.09286	2.3
275.09250	0.4
281.10254	0.4
282.05450	0.5
283.06076	1.2
295.06192	1.8
296.06927	0.7
297.07672	5.1
307.06271	0.6
309.07678	0.8
311.05707	1.1
311.11435	0.6
322.04980	0.3
323.05591	1.0
323.11334	1.4
325.07144	2.1
328.05820	0.8
335.05551	0.5
337.07071	1.1
353.06668	10.3
353.12308	1.3
354.07074	0.5
355.08215	0.3
356.05237	0.5
365.06689	2.1
371.13449	33.1
372.13690	1.1
383.07712	8.2
384.08029	0.4
395.07700	0.9
397.09113	0.3
407.07785	0.6
413.08762	0.8
425.08917	0.7
443.09872	4.2
443.15543	0.5
455.10056	0.4
473.10904	2.2
490.11795	0.3
515.12085	0.8
533.12939	32.4
534.13391	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	533.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
61.27732	0.3
71.01380	0.8
72.81822	0.2
73.02940	0.6
79.01881	0.4
83.01382	0.3
83.81588	0.2
88.18636	0.3
89.02438	0.3
91.05552	0.3
91.82813	0.3
93.03455	1.5
95.01403	0.5
101.15386	0.3
106.32187	0.3
107.01392	0.4
115.52586	0.2
116.92807	0.4
117.02747	0.5
117.03471	4.1
117.92803	0.2
119.05015	0.8
135.04539	2.0
137.02446	0.5
145.02908	0.3
147.04475	0.6
148.01721	0.3
149.02455	0.9
149.06105	0.3
159.04520	0.8
161.02451	1.9
161.06145	0.3
162.03088	0.4
163.04054	1.3
173.02457	0.5
175.03995	1.4
177.01964	0.7
177.05539	1.5
179.03525	0.5
184.52777	0.3
189.01883	0.6
189.05585	0.6
191.03497	1.2
203.03445	1.7
205.05058	0.7
215.03508	0.4
217.05107	0.4
221.04549	0.8
225.05678	0.4
233.04549	0.6
235.02678	0.3
245.04630	0.5
251.07114	0.7
253.05095	0.3
253.08801	0.5
254.05919	0.3
267.06564	0.7
268.07303	0.7
279.06516	0.7
281.04480	0.9
282.05338	1.5
283.06171	2.9
295.06079	4.7
296.06845	2.4
297.07669	16.3
298.08038	0.8
307.06024	2.2
308.06808	0.4
309.07626	2.5
311.05615	4.0
321.04083	0.3
321.07675	0.4
322.04684	0.4
323.05615	4.0
324.06302	0.8
325.07153	7.9
326.07462	0.4
328.05850	3.1
335.05551	1.2
337.07205	2.7
341.06656	0.4
353.06647	31.3
354.06879	1.4
355.08035	1.4
356.05417	1.4
365.06699	6.2
377.06729	0.4
379.08136	0.8
381.06122	0.3
383.07693	24.5
384.08167	1.2
395.07748	2.4
397.09384	0.5
407.07632	1.2
413.08826	2.9
425.08887	1.7
437.08923	0.4
443.09805	14.0
444.10254	1.2
446.08481	0.3
455.09741	0.8
473.10898	6.4
474.11258	0.5
480.09528	0.3
485.11050	0.4
497.10626	0.4
515.11792	2.3
533.12994	100.0
534.13385	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	533.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01384	6.2
70.67588	1.7
73.02942	0.8
81.03458	0.8
83.01388	2.1
85.02951	1.4
87.00848	0.7
89.02409	0.7
93.03461	1.5
96.96037	1.2
97.02952	1.2
101.02468	0.6
101.06075	0.9
107.01376	1.3
111.00887	1.1
111.04488	0.7
113.02431	1.0
123.04510	1.3
125.02438	2.3
125.06071	2.8
132.02182	1.3
135.00856	1.3
137.02438	1.5
139.04016	1.5
149.04512	1.1
151.00401	1.6
155.03493	0.9
164.01192	1.1
165.05759	0.7
165.09187	2.6
167.03506	4.9
179.00058	0.7
179.10782	1.2
181.08620	1.1
187.03976	1.5
197.04427	0.7
209.04572	2.3
209.08116	3.9
211.03908	1.6
213.05458	0.8
221.08174	1.5
223.09712	0.9
227.03497	25.7
227.05740	1.4
228.03818	1.0
229.05019	5.0
239.03436	1.3
239.05624	1.3
251.09256	6.8
255.02986	54.6
256.03540	4.1
257.04581	2.6
263.09265	2.8
281.10400	2.0
283.02426	1.4
284.03259	100.0
285.03973	31.6
286.04425	1.7
293.10327	30.1
294.10602	1.1
305.10178	1.8
323.11331	19.8
324.11826	1.3
327.04947	1.2
335.11234	1.2
353.12448	5.7
395.12970	3.2
401.18176	0.8
413.14633	4.6
425.14380	1.7
443.15576	1.3
447.09106	2.1
456.87851	0.8
489.10373	77.5
490.10623	6.0
533.18939	5.6
533.28943	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03386	0.7
59.01315	2.8
61.98764	1.9
62.74833	0.3
67.03083	0.3
71.01382	2.2
73.02879	0.8
73.16179	0.3
75.75749	0.3
79.51855	0.3
80.83039	0.3
81.03417	0.4
83.01318	0.4
83.04951	1.3
85.02892	0.8
87.00829	0.6
89.02429	1.5
93.03473	2.9
99.00842	0.4
101.02394	0.8
107.81134	0.3
111.04515	3.6
113.02364	0.4
119.04993	0.5
127.03995	0.4
129.01834	0.6
131.03549	0.4
137.02380	0.6
139.11220	0.5
141.12793	0.4
149.03535	0.3
149.04556	3.3
155.03506	3.5
161.04398	0.6
163.03969	0.6
163.80527	0.3
173.03165	0.5
173.04544	9.2
185.11819	4.0
191.05545	0.5
199.13315	1.0
204.13879	0.3
266.58401	0.3
284.77655	0.3
287.43283	0.3
294.20947	0.3
297.24301	2.1
309.24438	1.6
311.25806	0.4
321.24557	0.4
325.23840	0.9
327.25394	16.7
328.25723	0.9
339.25342	3.5
355.25092	0.8
357.26447	100.0
358.26828	6.8
399.23953	0.8
464.81467	0.3
495.20288	0.4
531.31885	31.4
532.32220	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	532.9812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	63.0
60.01684	0.4
61.98830	18.9
69.14146	2.6
69.14548	1.1
78.14539	0.3
82.44403	0.3
90.97127	1.7
118.96645	0.8
132.98203	2.0
156.99931	1.5
169.24414	0.4
174.99234	30.4
183.59436	0.4
190.90286	0.4
201.02522	0.9
217.00276	100.0
218.00659	1.6
224.91089	0.5
314.98904	0.7
359.01358	1.4
374.99188	79.3
375.99652	2.2
408.93411	0.7
472.97473	0.8
532.98083	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.5
59.01382	3.2
61.98831	6.0
69.44371	0.8
69.44781	1.9
71.01392	1.9
71.04965	0.6
71.12093	0.4
73.02901	0.5
81.03432	0.8
81.67366	0.4
83.04984	1.7
85.02914	0.9
85.06546	1.5
87.00838	0.4
88.64367	0.3
89.02396	0.7
93.03474	3.6
99.00807	0.4
99.08126	1.0
101.02393	1.1
101.45678	0.4
111.04507	2.8
113.02374	0.6
115.07616	0.7
125.02398	0.5
129.01860	0.5
137.02420	0.8
139.11195	1.0
139.51944	0.4
141.12718	0.5
149.04480	0.6
151.11241	0.5
155.03479	3.5
169.15961	0.6
173.03136	0.6
173.04535	8.3
185.11734	1.3
186.70087	0.4
191.05559	1.3
197.19147	0.6
204.18645	0.4
209.11700	0.4
241.18105	1.8
337.23880	1.1
339.25333	4.3
357.26437	100.0
358.26816	6.0
387.14398	0.4
531.31818	32.8
532.31897	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3172
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
57.03448	3.3
59.01382	6.5
60.99318	3.9
61.98829	9.2
67.01894	8.2
69.03463	2.6
71.01378	7.7
71.53595	1.2
72.99315	0.8
73.02947	1.7
81.03463	2.2
83.05039	1.4
85.02973	2.2
87.00884	14.3
89.02460	2.6
93.03460	69.1
94.03821	0.7
99.00899	1.8
99.04514	1.3
101.02455	2.9
109.03001	1.0
111.00880	1.5
111.04518	11.2
113.02462	2.5
121.02985	0.8
125.02455	1.4
125.80215	0.7
126.42968	0.7
129.01979	2.3
131.03519	0.8
137.02472	0.9
139.38982	0.7
149.04602	1.4
149.05908	0.9
150.17732	0.7
155.03505	4.0
169.86958	0.7
173.04547	28.3
191.05565	4.0
209.11926	1.8
211.35335	0.7
265.10828	1.5
289.04745	0.9
293.21167	1.1
296.00201	0.7
327.25415	2.8
338.12155	0.7
339.25363	1.1
357.26401	15.0
358.26871	0.8
383.24356	7.2
399.23938	0.9
409.02798	0.7
443.26694	2.1
531.31897	100.0
532.32440	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	531.3173
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
56.75446	0.4
57.03447	1.9
59.01380	6.4
60.99310	4.0
61.98831	5.2
65.03951	0.9
67.01893	8.9
69.03458	2.5
71.01378	8.1
72.99287	0.5
73.02941	1.6
81.03461	2.4
83.01366	0.9
83.05007	2.1
85.02952	3.4
87.00874	14.1
89.02448	2.6
93.03457	74.0
94.03798	1.3
95.01383	0.6
96.95988	0.5
97.02936	0.6
97.06590	0.4
98.20680	0.8
98.86105	0.4
99.00872	2.4
99.04521	1.2
101.02442	2.4
109.02919	1.4
111.00832	0.8
111.04520	11.0
111.05237	0.8
113.02415	2.9
115.04005	0.9
116.92870	0.7
119.03532	0.4
125.02479	0.7
129.01909	2.9
137.02434	1.8
142.72273	0.5
143.03479	0.7
149.04550	1.7
155.03496	3.8
161.04561	1.1
163.03978	0.6
167.03487	0.5
173.04539	29.3
173.16470	0.5
174.04918	0.5
185.11880	1.7
191.03938	0.7
191.05620	4.9
240.57858	0.4
244.04739	0.4
254.87390	0.4
276.10947	0.4
297.23798	0.4
300.24332	0.5
325.24014	0.5
327.25339	4.4
339.25467	0.6
357.26443	22.9
358.26791	1.0
395.75775	0.5
399.23920	2.7
417.24615	0.5
441.78726	0.5
475.46967	0.4
513.30920	3.8
531.31836	100.0
532.32068	8.3
559.79504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49355	0.4
55.01868	1.9
57.03431	2.1
58.00593	0.7
59.01383	12.1
61.98819	1.2
65.01992	0.4
69.03454	2.3
71.01382	22.5
73.02947	8.9
75.00874	0.7
76.50517	0.4
79.74437	0.4
80.47265	0.5
83.01376	4.1
85.02457	0.9
85.02949	13.1
87.00880	1.3
88.89448	0.4
89.02441	2.5
95.01386	1.8
97.02964	0.8
98.20654	1.4
98.61897	0.4
99.00893	4.3
99.77108	0.4
101.02445	23.7
111.00906	0.5
113.02451	20.1
129.01929	0.4
131.03488	0.7
143.03522	1.0
149.04596	1.0
159.03044	2.3
161.04556	10.1
192.30554	0.4
201.11264	0.5
357.26364	3.6
399.24045	0.7
417.24930	100.0
418.25253	5.5
531.27747	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	531.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63954	0.9
57.03435	2.6
59.01381	100.0
61.98830	6.4
70.83630	2.4
71.01390	8.2
71.05013	1.9
73.02956	4.3
85.02953	4.2
87.00885	4.2
89.02446	12.5
93.03471	1.1
96.96040	6.2
99.00887	1.5
101.02438	5.0
102.25484	0.9
103.03990	1.0
113.02458	3.1
114.45386	0.9
116.92889	1.8
119.04984	1.2
125.02444	1.6
131.03502	3.4
149.04559	36.1
161.04575	2.3
161.09721	1.5
161.13391	1.7
163.04050	1.2
163.11230	2.1
179.05463	0.9
191.05629	1.6
205.08780	1.2
205.12393	1.3
207.10284	2.3
223.13393	53.8
224.13699	1.8
265.23941	1.1
267.12350	36.6
268.12613	1.3
393.39328	0.9
399.16571	56.2
400.17017	3.3
427.52054	1.1
428.99765	0.9
441.25342	2.7
478.68433	1.2
531.20770	47.1
531.28210	12.5
532.21313	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76138	0.4
53.61221	0.5
57.03448	2.3
59.01379	75.7
60.01720	0.5
61.98827	0.9
68.79084	0.4
71.01381	5.4
71.05040	1.2
73.02951	4.4
80.76562	0.5
81.13094	0.5
85.02972	1.1
87.00878	3.9
89.02444	22.2
96.96017	4.9
96.96973	0.7
98.20769	0.9
101.02392	0.8
103.04027	1.9
111.00864	0.8
111.04556	0.7
125.06080	0.7
131.03505	6.9
135.11790	0.5
149.04552	100.0
150.04904	1.6
155.03429	1.0
161.13358	1.7
163.11343	1.5
187.11255	1.1
191.05676	0.6
205.12346	1.0
207.10242	1.2
223.13383	54.7
223.42671	0.6
224.13751	1.8
253.04959	2.4
267.12354	21.5
268.12744	0.7
280.93253	0.5
399.16571	40.3
400.16983	3.0
531.20819	38.5
532.21295	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	531.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.1
69.03471	1.2
69.88654	3.4
71.01390	2.7
72.99283	1.2
73.02936	0.9
81.03475	0.7
83.01411	1.9
83.05024	0.9
85.02960	2.9
87.00863	5.6
89.02489	1.0
93.03485	1.4
95.01367	1.0
96.96006	4.1
99.00843	0.7
101.02447	2.1
101.06080	20.7
108.02171	52.6
109.02336	0.9
109.02981	10.2
111.00891	8.5
111.04525	6.5
113.02470	3.0
121.03055	0.8
123.00880	0.7
127.00365	2.1
135.04547	1.2
137.02472	0.9
145.01445	1.0
149.04594	2.1
151.03967	0.7
152.01149	100.0
153.01860	4.7
155.03503	12.4
157.01437	2.1
163.04019	4.1
179.10774	1.2
199.02480	1.6
223.09735	2.5
223.13379	0.9
248.32922	0.8
315.07382	0.8
429.10309	11.3
430.10947	1.1
489.96985	0.7
531.16974	99.9
532.17279	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	531.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.5
59.01381	5.4
61.98825	2.2
65.00331	0.5
71.01378	2.5
71.54131	0.5
72.99316	0.4
73.02951	1.0
83.01392	0.4
85.02950	1.3
87.00884	0.4
89.02433	1.6
93.03426	0.6
96.96021	0.5
97.06542	0.3
99.00903	0.6
99.04546	0.3
101.02409	1.5
108.60796	0.3
111.00863	0.3
113.02433	1.2
116.92856	2.2
117.03474	0.3
119.03489	0.4
119.05008	0.5
125.02479	0.6
129.01996	0.4
131.03519	0.3
143.05019	3.4
145.02841	0.4
146.08229	1.7
149.04536	1.9
157.97484	0.3
161.04515	0.8
163.04015	0.4
165.12819	0.4
167.05013	7.4
168.05376	0.3
169.06586	1.4
173.04556	0.6
180.05771	3.3
181.06624	3.0
183.04498	2.8
183.13739	0.5
185.06033	1.4
191.05617	0.4
196.05295	0.4
197.06053	3.1
207.04640	0.3
208.05289	4.9
209.06062	14.8
210.06390	0.6
211.04021	3.2
217.11884	0.4
223.04063	0.3
223.13411	0.9
224.04739	0.9
224.95349	0.3
225.05559	7.1
227.07118	3.4
252.04265	1.0
253.05048	100.0
254.05370	4.5
255.22533	0.3
267.12354	0.8
269.13904	0.6
270.07669	0.8
271.06107	5.7
272.06375	0.4
277.12344	1.3
330.08041	0.9
333.20526	0.6
399.16446	0.8
399.24200	0.3
401.11810	1.0
502.76147	0.3
518.08228	0.3
522.34460	0.3
531.18671	2.3
531.28070	6.3
548.86707	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49205	0.7
56.29622	0.8
59.01388	1.7
61.98833	1.9
71.08649	1.7
78.95903	15.8
85.37772	0.7
89.22974	0.7
132.96228	0.7
152.99579	2.9
157.87068	0.7
168.04292	3.0
196.89481	3.2
218.58133	0.8
224.06897	6.8
230.65643	0.7
242.07994	1.8
255.23286	100.0
256.23584	4.5
269.04651	1.0
409.64838	0.7
480.30936	71.3
481.31213	5.9
498.36920	0.9
530.30872	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83701	0.4
57.03458	0.6
59.01375	1.0
65.85612	0.4
69.03449	1.2
69.34232	3.4
85.02950	3.3
87.00875	100.0
88.01212	0.9
101.02458	1.0
111.00861	0.6
112.01672	0.7
113.02480	1.6
114.24992	0.4
157.01442	1.2
161.04494	0.5
170.64061	0.5
189.04042	50.1
190.04457	1.1
191.05618	1.4
214.98734	1.4
241.49911	0.5
305.33884	0.5
372.97574	1.2
441.76025	0.5
455.89136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24589	1.1
57.03453	2.2
58.33869	1.2
59.01377	8.9
61.03577	1.1
61.98833	11.6
67.01889	5.1
71.01379	5.4
71.52820	1.5
83.05077	1.1
85.02939	6.0
87.00885	2.9
89.02472	2.4
93.03459	24.2
96.96015	4.1
105.87209	1.4
109.02954	1.8
111.00909	2.5
111.04527	4.5
113.02459	2.7
115.00265	1.3
125.02476	1.5
127.04046	2.1
131.03459	1.4
134.03711	2.7
135.04527	49.9
136.04762	1.7
137.02448	6.5
138.07904	1.5
144.29123	1.1
149.06056	1.9
155.03476	6.3
156.00659	1.8
161.02487	2.8
163.03998	1.4
173.04546	89.1
174.01675	3.5
174.04904	1.5
179.03503	55.2
179.10721	1.8
180.03871	1.3
184.73671	1.1
191.05608	34.5
249.13545	1.3
353.08749	100.0
354.09253	4.1
423.18671	4.4
530.09998	1.6
531.20868	2.3
533.91205	1.2
552.86169	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.5
58.00586	0.3
59.01079	0.3
59.01376	7.1
61.98829	1.8
64.07038	0.2
69.03476	0.4
69.17567	0.5
69.17978	1.9
71.01380	4.9
73.02979	0.8
73.62442	0.2
83.01417	0.8
85.02950	1.4
87.00900	0.8
89.02445	5.3
91.04017	0.2
95.01390	0.4
97.06597	0.3
98.20610	0.5
100.18166	0.2
101.02438	6.4
103.50445	0.2
104.62668	0.2
111.08183	0.4
113.02449	3.0
113.09723	0.3
119.03475	1.6
131.03534	0.5
143.03514	0.8
145.05022	0.2
161.04543	3.1
167.10789	0.3
171.10309	0.4
173.04610	0.3
177.16579	0.2
179.05566	1.4
179.14401	0.8
195.13892	9.2
196.14421	0.4
205.12309	0.5
205.15994	0.6
211.13370	0.6
217.07039	0.2
223.13377	6.0
224.13899	0.4
228.13669	0.7
231.21132	0.3
235.08263	0.4
239.12924	0.5
249.21986	0.3
253.09282	30.5
254.09648	0.8
256.13095	1.2
265.21683	0.4
275.20157	5.7
291.19635	0.8
292.20035	0.9
293.21216	100.0
294.21567	4.5
472.27841	0.2
492.22052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.0
59.01381	13.1
61.98834	14.5
70.67149	1.4
70.67481	1.0
71.01382	8.1
72.99298	1.1
73.02930	2.0
75.00897	0.6
80.91667	1.1
81.07096	1.9
82.51131	0.6
83.01389	0.9
84.28678	0.7
85.02950	4.1
86.28435	0.6
89.02459	6.1
93.02039	0.7
93.03443	3.0
95.05001	0.9
96.95989	2.2
97.06589	1.4
99.00874	1.9
101.02458	4.6
111.00905	0.8
111.04498	0.8
113.02470	4.3
115.63578	0.8
116.92851	1.1
119.03545	1.8
119.04994	2.4
121.06580	1.6
125.02426	1.3
125.09641	0.7
125.34858	0.6
129.01944	1.8
131.03500	1.3
135.08168	5.2
137.02425	2.2
139.95833	0.6
142.36705	0.9
143.03546	0.7
149.04533	2.4
149.09726	7.7
155.93495	0.8
156.21011	0.7
161.04573	2.1
163.03996	1.8
173.04552	2.3
191.05544	0.8
191.10799	2.4
197.02252	1.4
198.66301	0.7
203.10765	2.4
205.12289	0.8
235.22209	0.7
243.06554	1.2
251.14499	4.0
267.17557	3.9
269.19150	1.1
285.18585	6.4
313.23666	1.0
331.19141	100.0
332.19498	5.1
355.25171	1.2
373.25882	5.6
415.23685	1.0
418.19150	1.1
493.30304	0.9
529.19824	1.0
529.27783	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	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.2
55.40669	0.2
57.03450	0.5
58.00592	0.3
59.01379	8.4
59.11958	0.1
60.23581	0.2
61.21251	0.1
61.98822	1.4
69.03465	0.2
71.01380	6.5
71.05020	0.2
71.56566	0.2
72.99320	0.3
73.02956	1.2
83.01403	0.6
83.05053	0.2
85.02950	1.5
87.00872	0.9
89.02448	6.0
95.01392	0.5
97.02935	0.2
97.06627	0.2
98.20751	0.3
99.00911	0.3
99.83646	0.2
101.02442	6.5
111.08134	0.4
113.02448	2.8
113.09732	0.5
119.03487	1.6
125.02473	0.2
131.03537	0.3
141.09302	0.2
143.03513	0.6
159.03033	0.2
161.04565	3.1
167.10718	0.2
179.05617	1.1
179.14421	0.9
181.12361	0.2
195.13896	9.3
196.14610	0.8
205.12343	0.6
205.16003	0.6
211.13506	0.4
223.13380	6.1
224.13943	0.4
228.13698	1.1
231.21199	0.6
235.08307	0.4
249.18645	0.2
249.22073	0.2
253.09285	31.6
254.09752	0.8
256.13177	1.3
265.21707	0.5
275.20151	5.5
276.20493	0.3
293.21219	100.0
294.21555	5.3
302.21280	0.2
317.91391	0.2
317.95703	0.2
422.85602	0.2
492.22110	0.8
493.22192	0.2
529.29205	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
61.98834	3.4
70.80070	0.9
75.27752	0.5
85.02949	1.3
85.06584	14.5
87.00862	1.3
93.03457	1.6
96.96017	0.6
113.05280	0.7
113.06080	12.6
115.04008	31.6
129.05592	1.2
131.07169	2.6
134.36751	0.5
135.04578	3.7
137.02403	0.5
155.03584	0.6
157.05035	3.3
173.04533	5.2
175.06102	100.0
176.06424	1.8
179.03499	3.6
185.16641	0.5
191.01965	1.1
191.05582	3.2
192.99786	0.6
304.05344	0.9
353.08740	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	528.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11186	0.3
56.06266	0.3
57.03454	0.4
61.98829	100.0
69.62920	1.6
71.99197	0.2
87.00874	2.7
107.55105	0.3
109.02947	0.4
110.39005	0.3
115.04018	0.4
125.02448	6.1
131.14642	0.2
143.85846	0.3
145.52377	0.3
149.02499	0.9
151.00368	2.0
152.01227	0.4
153.01932	1.5
175.00392	0.4
175.02489	1.3
175.03998	0.7
175.06184	0.8
177.01978	1.2
177.28012	0.2
178.99890	1.7
181.01413	1.3
184.86826	0.2
191.03513	0.4
199.03937	0.4
217.05150	0.6
241.05211	0.4
261.96729	0.3
275.05588	1.3
285.04047	5.0
299.05667	0.5
303.05087	18.7
304.05347	0.8
341.05392	0.9
343.07074	0.4
447.09705	0.6
465.10486	2.7
466.11014	0.3
540.39990	0.3
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
50.93400	0.6
55.01872	1.0
57.03454	1.5
59.01384	12.6
61.98831	1.0
68.11182	0.8
68.99832	1.0
71.01379	17.8
71.51446	1.2
71.51826	0.8
72.99311	5.6
73.02953	1.5
75.00472	1.1
75.00877	15.7
81.30942	0.7
83.01382	0.8
85.02953	19.6
87.00886	6.5
89.02464	4.3
95.01394	5.4
96.49349	0.8
99.00888	8.6
103.00362	2.3
111.00881	0.9
112.01614	0.8
113.02455	27.9
114.72952	0.7
115.00376	1.9
117.01934	2.0
129.01956	1.1
136.85503	0.7
138.58519	0.8
151.30208	0.8
157.01401	1.0
175.02490	3.4
205.07187	2.7
223.08238	0.9
231.05006	0.9
249.06104	6.9
267.07233	7.5
277.21713	51.5
277.60434	0.7
278.22186	2.7
399.63153	0.8
467.26154	0.9
509.27682	2.8
527.28638	100.0
528.28992	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	527.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.6
57.40680	0.4
59.01388	2.3
61.98831	14.9
63.96242	0.7
68.99572	0.4
69.03497	0.4
69.37076	2.9
71.01382	7.0
73.02939	1.5
78.98594	4.8
79.95736	6.9
80.96516	45.6
81.03394	0.5
85.02966	2.6
87.00872	2.4
89.02422	1.2
94.14988	0.4
94.98090	11.4
95.01381	0.9
96.96017	3.7
97.02951	1.5
99.00873	0.8
101.02448	2.4
106.98077	2.3
113.02412	0.8
122.97587	2.4
125.02471	3.1
127.03981	1.2
129.01888	0.5
129.66992	0.4
134.97601	4.0
135.02953	0.5
136.99165	1.0
137.02513	0.4
145.01462	0.7
145.11336	0.4
146.97517	0.5
148.99126	5.0
149.04558	0.5
152.98640	5.1
161.02402	0.5
164.98615	9.4
165.12904	0.8
173.04544	0.8
183.10216	0.6
183.13921	4.3
191.05640	0.7
192.59915	0.4
206.99590	2.4
225.00745	18.2
278.12256	0.4
299.04422	2.0
317.50928	0.4
331.11151	0.4
456.09402	0.4
480.71622	0.4
483.18973	0.8
509.17075	0.8
527.18018	100.0
528.18304	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	527.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.8
57.35437	0.2
59.01374	1.4
61.98829	1.6
69.03471	0.5
69.25784	2.1
71.01382	1.2
73.02941	0.4
79.05529	1.2
81.03494	0.4
83.01397	0.3
85.02954	0.7
87.00843	0.4
89.02451	0.7
96.96006	1.3
98.95599	0.6
99.00871	0.3
101.02473	0.8
101.06120	0.3
105.03453	2.6
113.02439	1.9
121.02939	1.0
122.03734	1.1
123.04525	15.7
125.02459	0.5
127.00328	0.6
129.01944	0.3
135.00848	0.3
137.02454	0.3
149.02463	6.0
149.04553	1.0
150.03195	0.5
161.04546	0.3
161.13286	0.3
163.02480	0.8
163.11284	3.1
165.01968	0.5
169.01457	0.3
169.18684	0.3
205.12294	1.2
207.10254	100.0
208.10602	3.4
231.10204	0.8
249.11327	2.3
339.07330	0.3
353.23212	0.4
369.15524	9.6
370.15823	0.4
381.15454	0.9
395.13379	0.3
421.72836	0.3
483.12283	0.5
483.18802	1.1
495.15424	0.3
527.17908	1.7
527.23834	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.9
61.98824	0.4
63.96237	0.7
69.03462	0.4
71.01379	4.9
73.02956	1.9
75.77449	0.3
78.98589	4.0
79.01923	0.4
79.95731	6.3
80.96517	41.2
81.03455	0.6
85.02937	1.9
87.00889	1.6
94.98088	9.8
95.01395	0.7
96.96006	0.9
97.02937	1.1
99.00888	0.5
101.02448	2.3
106.98087	2.2
113.02433	0.5
122.97582	4.0
125.02445	2.9
127.03996	0.6
134.97585	2.7
135.04489	0.4
136.99072	0.8
148.99130	4.4
152.98642	4.6
164.98616	8.7
165.12877	0.6
167.00133	0.4
182.99663	1.3
183.13887	3.4
191.05531	0.5
199.84612	0.3
203.10794	0.5
206.99706	2.7
209.08177	2.4
217.05051	4.2
218.05859	4.5
225.00739	16.6
227.12827	0.4
233.08195	1.2
243.01717	1.2
245.08197	0.9
247.09741	8.7
248.09886	0.4
257.08035	0.4
259.09781	0.8
273.07782	0.3
275.09244	23.0
276.09491	1.1
278.07883	0.4
285.07617	0.4
287.09174	2.4
299.04440	2.0
305.10306	5.4
306.10535	0.3
316.93042	0.3
317.10043	0.5
359.11307	0.4
381.39212	0.3
483.19083	0.7
509.17123	0.4
527.17957	100.0
528.18280	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	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.4
61.98829	100.0
63.08556	0.2
71.01395	0.4
71.53503	0.2
85.02933	0.3
85.89645	0.1
87.86538	0.1
96.95987	0.3
101.02448	0.3
113.02450	0.3
125.02472	0.2
151.00369	0.5
156.33887	0.1
157.93103	0.1
185.38686	0.2
191.05623	0.3
243.02994	0.3
255.03091	0.4
271.02335	0.9
275.09198	0.2
285.04065	3.2
287.04767	0.3
300.02682	2.2
301.03525	1.4
380.08704	0.2
463.08768	2.9
463.14749	0.3
464.09232	0.2
466.23254	0.3
467.25369	0.3
526.22278	0.2
526.54785	0.2
527.05017	0.9
527.17560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.2
59.01384	0.4
59.24516	0.1
61.98831	100.0
70.90733	0.3
71.01371	0.2
88.98804	0.3
96.96020	0.2
101.02486	0.2
101.67840	0.1
125.02415	0.2
135.92415	0.1
142.43207	0.1
149.34097	0.1
151.00508	0.2
167.28586	0.1
211.19954	0.1
255.06619	0.2
256.07016	0.5
271.02585	0.4
300.02823	0.5
301.03384	0.7
445.07901	0.4
463.08606	0.4
483.26447	0.2
525.35291	0.2
526.18176	0.2
526.35852	0.5
527.18042	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69427	0.6
59.01376	4.4
61.98829	100.0
62.17081	0.6
66.37059	0.6
69.28523	5.9
71.01378	3.7
73.02954	1.3
78.61771	0.6
85.02964	1.9
85.73233	0.6
88.98820	1.1
89.02441	1.3
101.02460	2.2
113.02454	1.4
119.03500	1.0
119.05048	1.7
123.04543	2.3
125.02427	1.2
154.01390	0.8
161.04559	1.5
163.04028	1.5
165.12897	3.4
169.01442	1.0
173.04628	0.8
183.13899	34.8
186.95456	0.7
207.10207	3.9
227.12946	2.3
233.08206	4.0
253.09361	2.2
280.47784	0.7
285.04068	0.7
294.61249	0.7
300.02740	0.9
301.03564	1.2
413.14569	1.6
463.21820	55.7
464.22604	3.7
508.17657	2.0
525.35541	2.9
526.18768	1.6
526.35431	3.7
527.18018	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	526.084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13567	0.5
59.01369	1.9
61.98830	60.3
71.01395	0.9
77.34023	0.5
81.70504	0.5
85.02943	1.4
87.00845	0.5
88.98827	0.7
89.02457	1.0
94.26830	0.5
96.96003	0.6
101.02473	0.8
113.02417	1.0
119.05069	0.5
121.02925	0.5
124.47977	0.5
125.02469	0.8
137.02409	0.9
148.01730	0.5
149.02426	2.2
150.03186	0.9
151.00357	2.7
161.93729	0.5
190.02623	0.6
191.03534	0.7
191.05347	0.6
193.03615	0.7
215.03525	0.6
226.18124	0.5
227.03586	0.5
233.04436	0.6
243.03017	0.6
255.03069	0.8
272.03323	3.3
280.68341	0.5
285.04138	1.3
286.04358	0.7
287.04672	1.1
299.01773	0.6
300.02744	53.0
301.03497	47.5
302.03952	2.0
343.04681	0.9
367.33972	0.7
463.08792	100.0
464.09125	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	525.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46301	0.4
57.03449	0.4
59.01374	3.0
60.99305	14.7
60.99623	0.7
61.98573	0.4
61.98830	3.7
66.17188	0.3
69.58471	2.3
71.01372	0.5
75.00903	0.5
76.00646	0.3
85.02956	0.5
87.00858	0.3
88.98801	100.0
89.02426	0.4
89.99146	0.7
93.03479	0.4
96.95993	0.4
119.05030	0.7
123.04482	0.6
125.02405	1.1
137.02451	0.6
151.00362	1.1
151.58224	0.4
167.03467	2.3
179.77589	0.4
232.50764	0.4
253.09377	0.4
271.02487	0.8
273.07614	3.2
274.08200	0.7
285.04099	0.6
286.04382	1.4
300.02798	1.2
301.03482	3.2
309.71918	0.4
435.13141	0.8
439.19223	0.5
445.07770	1.5
462.07605	0.7
463.08710	1.1
468.61346	0.4
481.20953	0.5
525.19965	0.5
526.18756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20995	0.6
59.01381	0.8
60.85174	0.7
61.98828	7.8
65.00306	1.2
69.34838	2.0
69.35258	3.5
83.01334	0.8
107.01395	1.7
111.62833	0.7
121.02911	0.9
151.00352	6.6
151.81653	0.6
154.86453	0.7
157.70869	0.7
163.00339	2.1
178.99861	4.5
205.78319	0.7
226.02782	2.1
227.03497	1.9
243.03001	7.3
244.03784	0.8
245.04521	1.1
254.02185	2.3
255.02968	19.9
256.03101	0.7
271.02466	43.2
272.02936	3.2
281.67050	0.7
299.01941	1.3
300.02756	87.7
300.20068	0.8
301.03500	31.6
302.03815	1.1
351.17279	0.8
463.08817	100.0
464.09137	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	526.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12589	0.5
58.42986	0.4
59.01374	1.0
61.98830	27.7
63.02386	1.8
65.00325	2.8
66.14809	0.4
67.18335	0.5
69.14386	0.4
69.42206	2.0
69.42627	1.7
71.01389	0.9
83.01386	2.2
93.03445	1.0
96.95985	1.0
101.02432	0.5
107.01392	7.9
109.02952	0.8
113.43643	0.5
121.02942	6.9
125.02444	0.8
142.60838	0.5
148.01744	0.7
149.02441	2.2
151.00372	34.2
164.01161	0.8
169.01442	0.7
175.03896	0.6
178.99858	13.7
179.05675	0.5
211.03908	0.6
227.03552	0.8
229.05069	1.0
245.04500	0.7
255.02991	1.9
257.04465	0.6
271.02515	2.8
273.04059	1.5
283.02423	0.6
300.02713	6.3
301.03522	100.0
302.03772	4.3
445.07809	5.2
463.08817	68.2
464.09030	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	524.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.0
61.98831	100.0
63.99251	0.2
71.01392	1.7
72.01695	0.3
73.02953	0.5
75.00870	1.8
77.62496	0.2
80.96518	0.3
83.01397	0.3
85.02955	0.8
86.88649	0.2
87.00874	0.4
89.02451	0.5
92.05032	0.2
93.03456	0.4
96.96032	0.6
99.00911	0.3
99.04544	0.2
101.02415	1.0
107.45158	0.2
109.02950	0.7
110.03356	0.2
113.02464	0.8
119.05032	0.5
121.02958	0.2
125.02467	1.1
137.02475	0.4
143.10777	1.0
144.11150	0.7
161.04561	0.2
163.04001	0.5
169.01456	1.0
173.04584	0.3
199.04114	0.2
285.04059	5.8
285.07135	0.3
286.04443	0.4
299.09213	0.4
329.65158	0.2
432.27237	0.9
450.28082	0.3
461.07355	2.0
461.13956	0.3
464.25003	0.7
505.21027	0.2
523.34924	0.2
524.22357	1.5
524.35260	1.1
525.27600	0.2
528.01428	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
57.36345	0.5
59.01379	2.9
61.98817	1.7
63.02391	0.6
70.07080	1.6
70.07426	0.8
71.01376	2.2
73.02940	0.8
73.37122	0.4
79.84864	0.5
83.01385	0.6
85.02954	2.2
87.00866	1.3
93.10143	0.5
95.01389	0.8
98.78521	0.4
99.00880	1.4
99.49689	0.5
103.00381	0.6
105.03419	0.5
107.01383	1.6
109.02987	0.6
113.02469	2.8
133.02977	4.8
149.02402	1.3
151.00357	2.9
175.02574	0.6
175.04005	2.2
199.04021	1.6
217.05051	1.6
241.05058	1.2
243.02919	1.1
243.12228	1.2
284.03143	0.6
285.04041	100.0
286.04428	4.8
327.05157	1.1
357.05872	0.7
381.05881	0.6
461.07245	45.0
462.07712	2.0
462.49426	0.5
464.15414	0.6
523.20422	0.9
524.20587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30931	0.1
51.62759	0.2
59.01372	0.5
61.98831	100.0
62.98547	0.2
68.13860	0.1
69.34245	1.3
71.01360	0.3
88.98820	0.7
89.02452	0.2
98.20613	0.3
99.00909	0.2
101.02468	0.2
112.08066	0.2
136.71011	0.2
149.04602	0.5
255.02986	2.4
269.04785	0.3
283.02466	1.7
284.03339	0.5
285.04013	2.0
297.04172	0.4
298.04861	0.8
299.05576	0.3
313.03604	0.2
446.08542	1.3
461.11145	5.7
461.47205	0.2
462.11588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60588	0.1
55.01669	0.2
55.01880	2.2
57.03449	3.4
58.00594	0.6
59.01383	11.3
61.98830	3.1
64.13579	0.2
67.01895	0.2
68.99825	0.2
69.03458	0.6
69.28913	0.4
69.29327	0.9
71.01384	17.9
72.01717	0.4
72.99292	1.1
73.02949	7.3
75.00874	1.1
79.63958	0.2
81.03455	0.2
83.01389	4.2
85.02953	10.7
86.00111	0.3
87.00885	1.6
87.04524	1.0
88.98807	0.2
89.02444	1.6
89.09461	0.2
93.03470	0.3
95.01386	1.8
96.96012	0.2
97.02947	0.5
97.06586	0.4
98.20662	0.4
99.00876	3.1
99.08138	0.2
101.02445	15.1
102.02813	0.3
109.06625	0.2
111.00883	3.4
113.02452	6.9
113.09724	0.2
115.92097	0.3
119.03513	0.4
119.05081	0.2
123.08157	0.8
125.02449	0.9
125.09776	0.2
129.01935	1.3
131.03529	0.2
135.04535	0.2
135.08159	0.2
137.02451	0.2
139.11246	0.3
141.01898	0.4
141.09229	0.3
141.12859	0.8
143.03490	0.4
143.10779	0.6
153.09222	0.7
155.10851	0.2
159.02989	1.8
159.63695	0.2
161.04602	1.6
165.09224	0.2
166.77382	0.2
169.01428	0.5
169.12317	0.4
171.13925	2.0
173.11914	0.2
179.03552	0.4
187.13402	0.7
199.13377	0.3
200.14171	0.5
201.14977	2.1
206.77234	0.1
209.08202	0.7
211.13251	0.2
217.14458	0.5
225.02478	0.1
229.14456	0.6
271.22894	0.2
277.21744	0.4
279.23267	0.2
285.04074	2.0
313.05859	0.2
313.67810	0.2
315.25308	1.2
343.28452	0.3
359.28070	2.3
360.28485	0.4
361.29568	12.5
362.29919	0.7
373.26129	0.3
374.26151	0.3
375.27365	2.0
443.07669	0.2
461.07144	0.5
477.30573	0.2
521.33301	0.4
523.34875	100.0
524.35181	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	523.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
57.03447	2.7
58.00599	0.6
59.01379	23.0
60.99305	1.7
61.98827	1.4
64.70184	0.3
69.03453	0.4
71.01381	24.2
71.53717	0.3
71.54083	0.3
72.99304	1.9
73.02943	6.2
75.00871	1.1
83.01384	4.5
85.02950	12.0
86.00067	0.3
87.00871	2.4
87.04487	0.4
88.98809	10.7
89.02441	9.3
92.68005	0.3
93.03484	0.5
95.01375	2.7
97.06618	0.4
99.00896	2.3
99.04562	0.3
101.02445	17.4
103.00349	0.7
105.01935	3.0
109.06580	0.4
111.00887	1.8
111.08155	0.3
113.02448	10.1
119.03513	3.5
119.04987	0.8
123.08199	0.6
125.02439	1.1
129.01987	0.7
131.03453	0.5
133.02931	0.4
135.86273	0.3
137.02455	0.6
143.03514	0.7
145.02971	0.3
146.61641	0.3
149.04585	0.4
153.09177	0.5
155.72020	0.3
159.02937	1.5
161.04535	4.0
161.13348	0.3
163.04016	0.5
165.12833	1.3
171.13942	0.7
173.04628	0.4
175.02455	0.4
179.05589	0.8
183.13895	23.1
184.14285	0.7
187.13405	0.6
201.14917	1.5
207.13919	0.6
209.11794	0.4
227.12852	1.4
237.14880	0.4
251.12866	0.6
252.13217	0.4
285.04001	2.9
295.22559	0.3
301.16562	16.4
302.16937	0.8
303.12396	0.8
315.25333	0.6
325.16846	0.3
359.28015	1.3
361.29572	15.7
362.29855	0.8
367.17419	0.6
375.27444	1.1
382.86578	0.4
391.26685	0.5
391.35144	0.3
461.07437	0.9
523.34863	100.0
524.35126	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	521.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24421	0.2
55.01871	0.7
57.03431	0.7
58.00592	0.5
59.01380	23.7
60.01710	0.3
61.98834	2.7
69.18290	2.4
71.01383	8.6
72.99300	0.7
73.02942	1.6
83.01408	1.4
85.02462	0.3
85.02950	4.0
87.00892	1.2
89.02438	3.2
93.03457	0.5
95.01390	0.8
96.96005	0.2
99.00884	0.7
101.02445	5.7
101.45364	0.2
111.00890	0.3
113.02444	3.2
114.41767	0.2
119.03481	0.9
119.05024	0.3
125.02424	0.7
137.02452	0.4
149.04556	0.3
157.12604	0.2
161.04585	0.4
163.03995	0.3
173.04568	0.5
264.47888	0.2
284.13776	0.5
299.26004	0.3
313.23825	2.1
341.26944	3.0
357.26376	0.3
358.26697	0.3
359.28009	16.9
360.28412	0.8
461.31339	0.7
483.23624	0.3
485.22476	0.2
503.32358	1.5
503.38959	0.3
504.71506	0.3
521.33282	100.0
522.33685	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.4
59.01373	3.2
67.49837	1.1
70.74247	2.7
79.95751	1.9
83.05039	3.2
87.00880	4.4
96.96010	83.7
116.92855	3.7
119.05033	5.5
119.08701	1.2
121.06585	1.7
122.46706	1.1
123.08179	11.7
125.02467	3.5
137.09752	1.9
163.03995	8.2
169.08670	1.5
169.10258	1.7
171.11777	11.5
177.01929	2.0
189.12843	3.9
201.12852	4.1
207.13896	2.8
219.13866	1.4
233.61769	1.0
237.14926	17.9
281.13950	26.1
282.14359	1.5
319.64728	1.2
325.09378	4.1
328.54984	1.2
361.09595	100.0
362.09973	4.7
523.14874	70.8
524.15271	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	523.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
57.03426	3.3
59.01379	17.4
60.70998	0.7
69.03445	1.3
69.54877	4.6
71.00229	0.7
71.01380	28.4
72.99292	1.0
73.02946	12.0
75.00860	2.8
81.03442	1.0
83.01385	4.5
85.02951	13.9
87.00877	2.1
88.98787	1.4
89.02438	7.0
93.03386	0.8
95.01376	2.2
97.02954	2.3
99.00874	6.6
101.01798	1.4
101.02438	20.5
101.03105	1.0
111.00881	2.6
113.02450	12.6
119.03573	0.9
122.22369	0.7
125.02422	2.1
129.01929	1.3
131.03513	0.8
133.02980	1.3
139.11267	4.6
143.03542	1.8
149.02435	0.8
150.03192	2.1
159.02924	2.5
161.04552	11.2
165.04028	0.9
165.05554	1.4
173.04478	1.4
181.12383	3.9
183.10228	6.8
187.13434	1.6
191.05692	1.1
195.06667	1.3
199.13391	1.9
209.11795	0.8
225.11275	2.3
233.06619	1.3
243.12344	12.8
244.12863	0.9
285.04025	22.7
331.17642	10.0
343.11963	3.1
349.18564	4.1
375.16647	6.6
391.14743	2.2
424.31824	0.9
435.18692	2.8
451.09253	0.7
461.07108	7.6
463.21814	100.0
464.22226	8.3
523.20337	18.8
523.27344	0.8
524.21033	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	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96043	0.3
55.01880	2.6
57.03453	3.4
58.00592	0.7
59.01381	31.7
61.98817	1.2
68.99812	0.3
69.03436	0.7
69.58576	1.0
69.58985	0.5
71.01383	23.3
71.05019	0.3
72.99299	1.3
73.02948	8.4
75.00870	1.9
83.01383	5.0
85.02952	12.3
86.00082	0.3
87.00883	2.1
87.04514	0.5
88.98785	0.4
89.02451	7.9
93.03458	0.3
95.01398	2.3
96.96006	1.2
97.02946	0.9
99.00881	2.5
101.02443	19.0
103.00365	1.6
103.04005	0.4
109.02934	0.3
111.00906	2.2
111.08151	0.6
113.02456	9.8
115.32820	0.3
119.03493	3.0
119.04966	0.7
121.10246	0.3
125.02422	1.1
127.11261	0.9
129.01912	0.7
131.03537	0.4
135.04482	0.7
137.02414	0.7
137.09709	1.1
143.03497	1.0
153.12859	0.4
155.10802	2.2
157.12367	0.7
159.02997	1.6
161.02438	0.3
161.04527	3.4
163.04041	0.8
163.06129	1.1
165.12810	0.3
169.12379	0.4
169.36690	0.3
171.13899	0.3
173.04498	0.7
179.03464	0.6
179.05614	0.9
183.13893	1.6
185.11810	0.9
193.05019	0.6
201.14946	4.1
227.12877	1.1
229.14409	0.5
230.15236	1.5
313.23798	0.3
315.18079	0.5
327.22028	0.3
333.36633	0.3
359.17291	0.6
359.28024	18.4
360.28259	0.9
373.25922	4.6
389.25385	0.4
399.24139	0.5
441.25009	0.6
461.23785	1.9
521.33344	100.0
522.33679	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	521.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.2
57.03452	3.3
58.00592	1.6
59.01382	28.5
60.01710	0.4
61.98830	1.3
63.04636	0.2
69.03447	0.4
71.01383	32.1
71.05019	0.5
71.53479	0.2
72.01720	0.3
72.99314	2.2
73.02950	8.0
75.00894	0.8
83.01389	4.3
84.02213	0.2
85.02953	13.1
86.00124	0.2
86.03276	0.4
87.00879	1.9
87.04521	0.5
88.98809	0.3
89.02449	13.2
93.03470	0.4
95.01392	2.9
97.02950	0.7
97.06568	0.3
99.00890	3.2
101.02450	18.0
103.00381	0.3
111.00881	2.2
113.02457	11.9
113.09714	0.3
119.03510	4.5
119.05042	0.6
121.10233	2.5
123.08235	0.3
125.02439	1.3
125.09711	0.4
127.00350	0.3
127.11317	0.8
129.01949	1.3
131.03522	0.6
137.02469	0.4
137.09746	0.3
139.11275	0.2
141.02016	0.3
143.03499	1.1
149.04562	0.8
155.10774	0.4
157.12323	0.7
159.02989	1.6
161.04553	4.4
163.04044	0.5
167.10765	1.2
169.12297	0.3
171.13934	1.6
179.05637	1.0
183.13843	1.1
183.47636	0.2
187.13341	0.4
199.13422	0.3
201.14958	9.7
202.22160	0.2
215.12759	0.4
227.12892	0.4
233.06676	0.6
249.02675	0.2
293.08762	1.9
299.25867	0.4
329.23413	0.3
333.19254	0.3
341.27008	0.3
357.26410	0.3
359.28015	13.0
360.28439	0.8
363.20151	2.3
373.25937	0.5
375.27505	0.6
389.25534	1.7
491.32291	0.7
503.32309	0.9
505.93774	0.2
519.32056	0.3
521.33313	100.0
522.33704	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	521.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30662	0.3
53.30943	0.2
55.01877	1.7
55.23544	0.3
57.03453	4.2
58.00599	1.5
59.01379	27.8
60.01720	0.4
61.98832	1.6
67.33888	0.2
68.99813	0.3
69.03452	0.6
69.24534	2.3
71.01379	31.1
72.99312	1.7
73.02948	7.6
75.00860	0.8
79.96358	0.2
83.01391	4.7
85.02952	13.5
86.00101	0.4
87.00879	1.7
88.98801	0.3
89.02445	12.5
93.03458	0.3
95.01414	2.4
96.95996	0.3
97.02956	0.9
99.00861	3.1
101.02441	20.0
102.02796	0.3
103.00424	0.3
111.00882	2.5
113.02452	12.4
119.03493	4.2
119.05000	0.3
121.10233	3.0
123.08157	0.4
125.02442	1.4
125.09756	0.3
127.00398	0.4
127.11298	0.7
129.01936	1.1
130.00342	0.3
131.03500	0.7
133.18146	0.3
137.02417	0.4
143.03470	1.3
143.10713	0.3
144.50175	0.2
149.04526	0.8
149.84204	0.3
157.12306	0.5
159.03030	1.6
161.04555	5.0
163.04016	0.7
167.10809	2.1
169.12315	0.3
171.13959	1.7
179.05571	0.9
183.13892	1.3
201.14969	10.0
202.15186	0.3
215.12772	0.3
227.12859	0.8
233.06660	0.5
293.08783	2.3
299.25867	0.5
333.18994	0.3
359.28024	13.0
360.28421	0.8
363.20233	2.4
373.25977	0.6
375.27621	1.4
389.25357	1.6
491.32336	0.5
503.31784	0.7
521.33331	100.0
522.33734	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	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83411	0.4
55.01882	2.2
55.53601	0.3
57.03449	4.9
58.00608	1.7
58.83990	0.3
59.01381	26.2
61.98818	1.0
69.03448	0.4
69.20973	3.1
71.01382	27.7
72.01746	0.4
72.99319	1.8
73.02947	8.8
75.00873	0.9
83.01382	4.1
85.02953	13.5
85.03469	0.7
87.00871	1.7
88.98820	0.4
89.02447	10.2
95.01376	2.3
96.95979	0.6
97.02953	0.8
97.57450	0.4
98.20644	0.7
99.00868	3.1
101.02444	20.0
103.00338	0.5
111.00888	1.9
111.63065	0.3
113.02445	9.9
119.03519	3.9
119.05020	0.5
121.10226	1.3
123.08162	0.9
125.02441	0.8
125.09750	0.6
127.00406	0.5
129.01941	1.6
131.03517	0.7
136.85835	0.4
141.09296	0.4
141.12834	1.0
143.03484	1.2
153.09306	0.4
155.10760	0.7
159.02982	2.1
160.22171	0.4
161.04562	3.7
163.04022	0.8
170.95833	0.3
171.13898	0.9
179.05608	1.3
183.13974	0.6
187.13397	1.3
201.14934	5.6
230.15079	0.5
299.25848	0.6
328.63507	0.4
341.27142	0.6
357.26712	0.7
359.28024	17.6
360.28564	1.1
363.20334	1.4
373.25827	0.8
375.12927	0.6
375.27567	2.5
389.25562	0.8
415.21890	0.4
491.32172	0.4
503.32278	0.4
515.43103	0.4
521.33362	100.0
522.33698	8.1
540.32104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2965
Annotation	Lanceolitol A2
Peak:m/z	Relative Intensity
55.01855	0.5
57.03448	2.9
59.01383	8.3
60.18061	0.4
61.98830	2.7
71.01387	5.9
71.05011	0.6
72.99306	0.6
73.02955	3.1
75.00877	7.2
79.95765	0.5
80.99789	0.4
83.01398	0.7
83.05057	0.6
84.95116	1.4
85.02952	3.6
87.00872	1.8
87.04518	3.0
88.98798	1.0
89.02448	2.2
93.03471	2.2
96.95986	0.7
97.06584	3.0
97.79309	0.5
99.08146	0.9
101.02449	3.4
103.00379	8.9
103.04057	0.5
108.94340	0.4
109.06612	0.8
111.00896	0.6
111.04520	0.5
111.08147	0.6
113.02440	1.4
113.06055	0.5
119.03473	0.5
119.05049	1.5
123.08176	1.1
125.02455	0.9
125.09718	2.8
129.01947	1.1
137.02415	1.4
137.09776	0.5
139.07646	2.1
143.10815	0.8
149.04547	0.8
153.09225	1.4
155.10814	0.6
157.08719	9.8
161.04575	0.8
163.04024	1.6
165.04021	1.0
167.03580	0.5
167.10857	0.6
169.08794	0.5
171.10281	7.1
173.04550	2.1
179.05669	0.5
183.13882	1.7
185.11842	1.0
187.09753	0.8
191.05603	0.8
200.10521	0.6
201.11325	7.4
215.12898	0.7
227.12918	1.3
231.16075	0.7
245.14017	1.1
251.16504	0.5
271.19437	0.6
284.03549	0.5
297.20706	1.2
300.02600	0.6
301.20279	0.5
302.03461	0.7
316.05573	0.9
317.05615	1.1
343.21213	1.1
345.95120	0.5
357.22815	0.5
359.28131	1.0
360.44403	0.5
371.24335	5.3
372.24765	0.7
373.18744	0.6
373.25998	1.3
387.24106	1.6
389.25449	100.0
390.25793	6.8
417.24625	0.6
477.26807	1.1
521.22235	2.0
521.29333	38.6
522.29688	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	521.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.4
58.00576	0.8
59.01377	18.8
59.57735	0.6
61.98824	2.2
69.03486	1.5
70.67030	1.4
71.01382	15.1
72.99329	0.8
73.02952	6.2
75.00882	1.5
79.95730	2.0
83.01362	1.4
85.02957	4.4
86.47089	0.7
87.00381	0.7
87.00867	4.2
88.98800	1.5
89.02446	31.1
93.03464	1.9
93.69225	0.6
95.01377	1.2
96.96001	1.7
99.00866	1.2
101.02451	5.9
103.04012	1.9
111.08170	1.4
113.02444	5.3
119.03484	2.0
119.05025	1.9
121.02980	1.0
125.02440	1.7
125.06068	0.8
131.03522	6.6
137.02452	1.3
143.03444	1.0
147.02985	1.1
149.04561	100.0
150.04903	1.9
161.04546	2.0
163.04039	1.9
165.09262	1.0
165.12848	25.9
166.13216	1.1
173.04552	1.5
175.02495	0.8
183.13905	61.8
184.14218	2.1
197.15515	1.6
207.13873	1.3
209.08231	4.6
209.11775	2.9
225.14992	1.0
227.12885	77.8
228.13219	2.8
251.12865	2.4
269.13968	1.2
271.17490	0.8
273.07797	1.7
293.13876	1.0
341.16058	6.9
345.32187	0.7
359.17062	8.5
359.28159	1.9
360.17520	0.9
373.26031	3.1
389.18143	12.2
389.25504	5.3
521.15033	2.4
521.22534	19.0
521.33008	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	521.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76943	0.7
55.01870	2.8
57.03455	7.1
59.01382	72.9
61.98827	9.6
69.03466	1.6
69.42808	4.8
71.01383	51.2
71.17419	0.8
72.99291	1.6
73.02950	18.5
75.00875	2.7
81.03475	1.2
83.01384	9.7
85.02459	1.3
85.02954	22.3
86.00080	0.7
87.00872	3.6
88.98780	1.2
89.02446	18.9
95.01414	3.8
96.91473	0.7
97.02946	2.5
99.00885	6.9
101.02450	35.5
103.00379	1.8
103.04018	3.7
109.02962	0.9
113.02451	18.2
115.04031	0.9
119.03484	5.2
123.04529	0.9
125.02439	4.8
129.01891	1.1
131.03493	2.1
134.29839	0.8
143.03523	4.9
145.05084	1.5
153.05594	1.2
159.02975	2.4
161.04553	22.2
163.03931	1.2
163.06146	6.2
173.04549	1.3
179.05603	1.8
192.00450	0.7
205.07152	2.5
205.21155	0.8
229.07053	0.9
240.13231	0.9
247.08240	2.1
294.11499	0.9
307.10254	1.1
315.18137	30.9
316.18304	2.3
329.23566	0.9
358.26758	0.9
359.28134	3.7
375.27405	5.0
389.25305	1.7
396.05542	0.8
416.23608	0.9
461.23920	100.0
462.24347	7.6
521.22083	1.1
521.33521	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
57.03444	1.8
59.01381	9.4
69.03471	0.7
71.01382	6.0
72.99327	0.4
73.02957	2.1
73.91664	0.3
74.43296	0.3
75.00876	0.6
80.14290	0.3
83.01392	0.7
85.02940	2.9
87.00873	1.2
87.04569	0.3
88.98841	0.4
89.02441	8.5
93.03449	0.8
95.01414	0.5
96.96027	0.7
97.06596	0.6
99.00819	0.3
101.02440	2.9
103.00418	0.5
103.04020	0.5
111.00938	0.3
111.08169	2.3
113.02447	3.7
119.03506	1.3
119.05041	1.5
125.02442	0.4
129.01941	2.3
131.03493	2.0
137.02425	1.6
149.04553	14.3
150.04933	0.3
161.04553	1.1
163.03966	1.6
165.12839	35.4
166.13174	0.7
179.05618	0.5
183.13893	93.5
184.14224	3.0
197.15430	0.7
207.13876	1.7
209.11816	3.9
219.05101	0.3
225.14964	0.8
226.15848	0.3
227.12874	100.0
228.13214	3.5
251.12883	3.5
269.13943	1.3
281.13837	0.3
293.13937	0.5
329.16110	0.4
341.16037	2.9
359.17117	20.3
359.27817	1.0
360.17395	1.1
373.26001	0.4
389.18152	11.3
389.25623	1.2
401.18124	0.9
521.22266	24.9
521.33130	5.6
522.22931	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	521.224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69644	0.8
54.27528	0.8
55.01878	3.1
57.03434	3.4
58.00591	1.7
59.01381	23.4
69.03459	1.3
69.41923	3.8
69.42332	2.4
71.01380	25.0
72.99306	1.3
73.02946	14.3
75.00871	1.4
83.01385	7.5
83.05011	2.3
85.02947	16.4
86.00098	1.2
87.00869	2.9
88.98829	1.2
89.02446	5.7
93.03461	6.7
95.01370	1.5
97.02938	1.0
99.00875	5.5
101.02441	28.5
101.14845	0.9
109.02934	0.9
109.46405	0.8
111.00876	2.6
111.04530	6.1
113.02449	11.6
119.03438	1.9
122.06084	1.4
125.02401	1.8
127.04001	1.5
129.01962	1.8
137.02396	1.6
143.03435	1.0
144.04443	1.2
149.04510	1.8
150.05580	1.0
155.03485	6.5
159.02885	1.4
160.04060	0.9
161.04494	2.5
172.04027	1.8
173.04552	23.6
185.11769	2.3
191.05539	4.3
193.04987	0.9
197.11861	1.1
204.06645	4.0
209.11781	1.7
231.05374	1.6
238.10986	1.1
253.13445	3.1
262.07147	1.0
269.12869	1.2
281.09326	0.9
283.10855	1.4
295.10959	1.8
297.12415	11.4
303.17987	1.1
325.11823	3.0
344.12643	1.1
347.17081	100.0
348.17688	4.0
355.12982	13.3
359.14996	5.2
367.12881	1.5
370.02820	0.9
387.15662	1.6
389.18259	5.9
391.12622	1.3
399.11966	3.4
401.13538	3.3
411.12308	0.9
420.40823	0.9
423.32297	0.9
431.14569	35.1
432.14691	2.4
433.16739	1.6
443.14301	2.4
461.15753	4.4
467.14490	1.2
485.15543	2.2
503.16818	1.1
521.22913	81.0
522.23242	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	521.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03451	5.1
57.04612	0.9
59.01379	100.0
60.01717	1.3
61.01809	1.5
61.98832	14.9
66.98473	1.0
71.01384	23.3
71.52991	1.0
72.99306	3.6
73.02949	8.1
75.00864	1.4
83.01374	3.9
85.02949	10.4
87.00887	1.9
88.98843	1.6
89.02452	8.0
93.03491	2.3
95.01361	1.7
96.96009	21.2
96.96952	1.5
97.02962	1.0
99.00894	3.7
101.02448	16.7
103.00371	1.4
107.05001	0.9
108.02211	1.0
109.02957	2.0
111.00930	1.3
113.02459	9.6
115.92059	1.1
116.92849	5.3
117.91894	0.9
117.92869	2.9
118.92690	1.5
119.03511	2.8
119.05025	1.9
121.03001	1.0
123.04533	1.8
125.02444	2.3
135.04497	1.2
135.98431	1.9
137.02475	2.4
143.03520	1.6
149.04591	1.8
152.01184	0.9
153.05615	3.4
159.02907	1.2
161.04572	5.5
163.04060	2.8
179.05627	1.6
191.05464	0.8
201.15007	1.1
293.08713	1.1
297.07834	1.4
315.18033	2.3
341.26999	1.0
359.28113	10.2
373.25870	1.1
375.26663	0.9
379.40680	0.9
399.23871	7.2
401.24539	1.2
419.25589	1.8
424.56638	1.0
441.24850	9.3
459.12543	1.9
461.23743	6.8
493.36136	0.9
520.31525	1.5
521.33441	46.3
522.33478	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	521.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
57.03443	4.3
58.00582	2.3
59.01379	25.5
61.98813	2.4
69.03435	1.1
69.30563	8.7
70.37909	1.2
71.01379	15.8
72.99295	2.6
73.02937	5.4
73.41943	1.2
80.29886	1.0
83.01367	3.7
83.40110	1.1
84.18523	1.0
85.02943	8.5
87.00864	7.2
88.98797	2.7
89.02449	8.2
89.64713	1.0
93.03450	6.1
95.01370	1.7
98.20686	2.2
99.00867	1.9
101.02432	12.7
102.97816	1.0
106.49972	1.1
109.02953	1.3
111.00853	3.1
111.04519	1.5
113.02448	6.1
119.03530	2.5
119.04988	5.7
121.02932	4.7
125.02419	3.2
129.01956	1.8
136.01675	2.2
137.02396	1.2
145.02939	1.4
149.04524	1.3
151.04002	2.5
155.03542	1.6
163.03999	6.9
171.10304	1.5
173.04561	3.5
179.79721	1.1
191.05614	1.9
240.04282	1.3
253.08784	1.8
255.06561	1.4
265.08731	2.0
268.07211	1.6
269.08221	3.7
270.08844	1.4
280.07538	1.6
281.08176	9.9
282.08905	4.9
283.09790	7.2
284.10104	1.5
293.08115	4.2
294.08911	1.3
295.09634	3.8
296.10577	1.6
296.14246	1.1
299.09250	4.9
300.09637	1.1
311.09222	3.4
312.09897	1.9
314.07840	2.8
314.11581	8.2
315.12360	4.3
326.11581	9.0
327.12299	7.9
329.13898	12.4
341.13806	8.5
347.24054	2.3
355.11975	5.6
359.14938	1.9
369.13232	1.5
385.14627	1.6
389.25397	8.7
461.14124	2.1
473.14038	5.5
476.16888	10.5
488.16852	5.8
491.19217	100.0
492.19684	6.0
503.19241	93.0
503.25156	1.1
504.19540	8.6
521.20135	3.5
521.29358	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	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.3
59.01381	2.0
70.27732	1.0
70.28094	0.4
71.01385	2.6
73.02937	1.4
78.68529	0.3
83.09444	0.3
85.02945	1.3
89.02406	0.5
99.00893	0.3
101.02467	0.8
109.02931	0.4
113.02454	1.2
116.92904	0.4
121.02964	3.5
122.03764	1.6
123.00875	0.5
123.04519	0.6
124.01641	0.5
125.02441	0.4
134.03714	0.5
135.04536	0.4
136.01617	0.5
136.05254	1.0
137.02429	0.6
137.06067	0.6
143.05037	0.7
145.02934	0.6
147.04541	1.8
149.02414	1.6
150.03220	4.9
151.03949	0.6
153.05594	0.4
158.03764	2.0
159.04509	8.3
160.05299	24.3
161.04607	0.6
161.06073	6.4
163.03996	4.2
164.04791	4.6
165.05476	0.7
173.04645	0.5
173.06042	3.8
173.39404	0.3
174.06888	0.9
175.07632	26.6
176.04832	0.6
176.07907	0.7
177.05544	6.4
178.06345	9.4
179.06686	0.4
190.81686	0.3
191.05632	0.4
191.07253	0.3
192.07912	2.5
193.05040	0.6
193.08665	2.5
197.11731	0.3
209.11560	0.3
243.12570	0.3
269.08203	0.5
281.20007	0.3
314.11618	1.4
326.11407	0.4
329.13925	100.0
330.14255	6.5
341.13925	0.9
353.00690	0.3
359.15039	4.8
360.15445	0.5
361.04626	0.4
389.12564	0.7
521.20129	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	521.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
57.03446	1.5
58.00581	0.8
59.01381	24.1
67.01880	1.3
68.09229	0.4
69.03436	0.7
71.01382	17.8
71.53270	0.8
72.99305	1.7
73.02947	3.3
83.01386	2.7
85.02947	6.7
85.28137	0.6
87.00874	3.8
89.02451	8.5
93.03455	9.2
95.01387	1.7
99.00874	1.6
101.02444	10.7
108.02157	0.6
109.02965	6.3
111.00901	0.9
111.04498	1.6
113.02447	5.9
119.03492	5.0
121.02924	1.0
122.03703	0.9
123.04528	0.8
125.02457	0.6
128.86224	0.5
131.03513	0.5
133.02916	0.6
134.03740	5.4
137.02394	0.6
149.02406	2.4
149.06073	0.9
150.03224	4.7
159.04501	2.7
161.04601	0.8
165.05548	5.4
172.05301	0.9
173.04503	3.5
173.06026	2.5
178.02715	2.7
180.04353	0.6
187.07539	1.1
189.05547	1.8
191.05597	1.0
191.07141	0.9
193.03348	0.8
193.05043	9.0
195.06615	2.7
203.07085	1.6
241.05078	4.4
253.04970	0.6
255.06573	2.7
267.06668	1.0
268.07367	0.9
280.08069	0.9
281.08133	1.3
282.08936	1.6
295.10178	2.0
299.09283	3.3
311.09143	3.5
313.10837	5.2
325.10391	0.5
326.11682	3.3
326.44153	0.6
329.10217	1.9
341.10168	4.2
341.13953	2.8
343.11777	0.8
344.12631	18.7
345.13028	1.5
347.17203	0.9
357.10910	0.7
359.14987	46.6
360.15198	3.1
378.52017	0.6
389.13321	5.3
390.05704	0.6
405.44943	0.6
521.20349	100.0
522.20691	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
57.35186	0.4
58.32497	0.4
59.01369	1.2
70.67949	0.8
70.68305	0.9
71.01383	1.3
80.34039	0.4
85.02953	1.0
101.02438	0.7
102.54123	0.4
108.02173	0.9
109.02955	11.7
113.02436	0.8
123.04478	0.6
125.02487	0.6
125.38845	0.4
158.03755	0.5
159.04504	5.5
161.04610	0.7
172.05481	0.4
173.04616	0.7
173.06035	5.2
189.05557	4.7
190.06372	0.5
191.07130	2.5
203.07140	1.6
205.08734	0.6
224.04796	0.4
225.05476	0.7
240.04274	1.9
241.05077	10.4
255.06642	6.7
265.08691	1.1
267.06613	1.0
269.08273	2.0
281.08054	0.6
283.09735	0.9
295.09866	0.8
298.08301	0.9
299.09225	8.0
311.13309	0.5
313.10785	9.3
314.11710	0.5
318.07684	0.4
327.12292	1.0
329.10269	3.7
330.10818	0.4
343.11783	2.4
344.12622	29.5
345.13013	2.3
359.14990	100.0
360.15308	6.2
389.18121	1.4
431.14658	1.2
521.20105	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	521.2028
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
59.01384	2.2
69.45429	1.9
69.45837	0.4
71.01385	2.1
72.59351	0.3
73.02945	0.6
75.00837	0.3
77.49872	0.3
85.02943	0.5
88.98811	0.8
89.02464	0.8
94.70303	0.3
101.02445	1.1
108.02144	0.7
109.02236	0.7
109.02956	12.1
110.03207	0.4
113.02444	1.1
123.04517	0.7
125.02454	0.5
132.04530	0.5
137.02420	0.4
150.05652	0.3
158.03723	0.4
159.03201	0.6
159.04503	6.1
161.04559	1.0
161.05969	0.4
171.04550	0.4
173.06067	4.2
189.05586	4.4
190.06360	0.6
191.07098	2.5
203.07202	2.8
205.08685	0.5
209.11877	0.4
213.05565	0.6
224.04843	0.4
225.05614	0.6
240.04230	1.7
241.05061	8.8
242.05405	0.3
255.06609	7.0
256.07181	0.4
265.08582	0.7
266.58832	0.3
267.06467	0.9
268.07343	0.4
269.08173	2.0
279.11255	0.4
281.08167	1.0
283.09775	0.4
295.09808	0.9
296.10434	0.6
297.12210	0.6
298.08588	0.7
299.09232	6.6
313.10782	10.6
314.11230	0.9
327.12268	0.7
329.10245	5.0
343.11774	2.8
344.12619	34.1
345.13049	1.9
359.14987	100.0
360.15335	6.0
389.18161	1.4
400.28729	0.3
431.14386	0.9
477.18860	0.9
521.20227	2.9
522.20575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2023
Annotation	trans-Dihydrodehydrodiconiferyl alcohol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01871	1.7
57.03443	4.3
58.00582	2.3
59.01379	25.5
61.98813	2.4
69.03435	1.1
69.30563	8.7
70.37909	1.2
71.01379	15.8
72.99295	2.6
73.02937	5.4
73.41943	1.2
80.29886	1.0
83.01367	3.7
83.40110	1.1
84.18523	1.0
85.02943	8.5
87.00864	7.2
88.98797	2.7
89.02449	8.2
89.64713	1.0
93.03450	6.1
95.01370	1.7
98.20686	2.2
99.00867	1.9
101.02432	12.7
102.97816	1.0
106.49972	1.1
109.02953	1.3
111.00853	3.1
111.04519	1.5
113.02448	6.1
119.03530	2.5
119.04988	5.7
121.02932	4.7
125.02419	3.2
129.01956	1.8
136.01675	2.2
137.02396	1.2
145.02939	1.4
149.04524	1.3
151.04002	2.5
155.03542	1.6
163.03999	6.9
171.10304	1.5
173.04561	3.5
179.79721	1.1
191.05614	1.9
240.04282	1.3
253.08784	1.8
255.06561	1.4
265.08731	2.0
268.07211	1.6
269.08221	3.7
270.08844	1.4
280.07538	1.6
281.08176	9.9
282.08905	4.9
283.09790	7.2
284.10104	1.5
293.08115	4.2
294.08911	1.3
295.09634	3.8
296.10577	1.6
296.14246	1.1
299.09250	4.9
300.09637	1.1
311.09222	3.4
312.09897	1.9
314.07840	2.8
314.11581	8.2
315.12360	4.3
326.11581	9.0
327.12299	7.9
329.13898	12.4
341.13806	8.5
347.24054	2.3
355.11975	5.6
359.14938	1.9
369.13232	1.5
385.14627	1.6
389.25397	8.7
461.14124	2.1
473.14038	5.5
476.16888	10.5
488.16852	5.8
491.19217	100.0
492.19684	6.0
503.19241	93.0
503.25156	1.1
504.19540	8.6
521.20135	3.5
521.29358	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	521.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03135	1.5
53.98122	1.4
55.01855	5.3
57.03449	26.1
58.00557	2.0
59.01379	85.7
60.43690	1.6
67.01879	4.1
69.20365	14.5
71.01028	2.5
71.01383	33.8
72.99303	2.0
73.02918	7.0
75.00876	8.9
83.01382	8.2
85.02952	11.2
87.00854	7.5
88.80035	1.7
89.02447	22.6
93.03471	17.3
96.48833	1.6
99.00849	4.3
99.04517	2.7
101.02443	20.6
103.00360	9.7
109.02914	7.3
111.00188	1.9
111.00881	37.1
111.04508	3.7
112.19366	1.7
113.02448	12.3
114.13386	1.7
119.03468	6.4
119.93689	2.0
122.06094	2.0
123.12550	1.6
129.01962	11.7
131.03511	2.1
132.04547	1.7
134.03763	2.1
137.02411	4.1
137.09679	3.7
142.75540	1.6
144.04472	3.6
144.26959	1.6
147.02997	3.2
149.04546	18.5
150.03154	3.0
155.03453	2.3
159.03169	1.8
159.04466	5.4
160.05293	10.4
161.06018	4.1
162.05510	2.1
163.04002	2.4
164.04750	2.0
165.03986	6.5
165.05440	2.6
167.10721	6.8
173.03165	2.0
173.04564	35.0
173.06003	3.5
175.07628	10.9
177.05547	1.8
178.06308	4.1
179.10597	2.3
181.08769	8.6
185.11758	6.7
191.05551	9.7
191.62445	1.7
193.05000	2.9
193.08699	1.6
197.11835	25.8
226.12233	5.9
236.09299	2.2
238.07416	1.9
239.11880	3.3
240.08899	2.1
241.04924	2.0
241.10823	20.3
251.11925	3.0
252.10294	2.5
253.09708	3.3
265.06131	3.0
266.06882	2.7
267.07425	2.1
267.11301	6.4
269.09085	1.5
269.10132	2.0
269.12955	21.5
271.02588	8.1
271.05798	1.6
277.09628	2.1
278.06833	2.2
279.07626	3.0
280.08542	14.7
287.01913	4.5
295.10849	46.3
296.11200	3.7
313.11957	22.7
316.02261	17.6
327.13385	6.6
329.13809	45.8
330.14230	2.4
331.12961	4.8
339.09891	8.8
344.12692	8.3
347.17099	61.0
348.17175	2.7
357.10907	11.7
359.14990	28.6
360.15207	3.4
371.12436	11.0
371.16580	2.5
373.15054	29.1
389.13614	34.1
390.13748	2.7
433.17151	49.5
434.17419	3.0
446.74286	1.7
471.13623	2.2
485.15720	2.5
489.15091	36.4
490.15063	2.8
503.16757	6.9
521.09485	9.4
521.19141	100.0
522.19928	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	521.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05855	1.4
57.03426	1.7
58.00578	2.4
59.01384	12.2
61.73294	1.1
64.85010	1.4
68.57776	1.3
71.01374	9.3
71.52961	1.8
73.02914	2.0
82.65834	1.2
83.01330	1.4
85.02902	5.4
87.00830	2.2
88.98826	1.6
89.02407	6.0
93.03383	1.8
99.00902	1.3
101.02390	5.6
103.00387	1.3
103.48243	1.2
109.02952	10.5
111.00835	2.6
113.02420	2.3
118.23391	1.4
122.06079	4.7
123.04491	1.6
125.02453	1.3
137.02373	1.5
144.04440	3.6
146.06073	2.4
147.11673	2.0
149.04463	4.5
150.05504	1.9
159.04427	5.1
160.03908	2.6
162.05478	1.4
164.07092	1.7
172.03935	3.3
173.04459	4.3
173.06003	3.4
174.05557	2.2
176.03348	1.7
189.05531	2.0
190.04959	2.3
191.05573	1.9
193.04984	2.0
197.11761	2.1
202.04959	2.6
204.06583	6.4
209.11752	1.7
227.43216	1.5
232.06024	2.1
237.10149	2.1
239.11736	2.7
241.04980	7.6
241.10371	2.5
248.05475	2.7
251.11797	2.6
253.09741	1.6
253.13388	8.0
255.06636	6.6
255.11160	1.9
262.07120	2.3
267.07455	4.7
267.11124	3.1
269.12878	3.5
279.07608	2.3
279.11057	1.5
280.08331	2.8
281.09064	3.2
282.09842	2.0
283.10776	1.9
295.10886	14.3
296.11075	2.3
297.09317	2.1
297.12396	27.0
298.12616	2.0
299.09109	5.8
309.08719	2.0
311.10284	2.2
311.13718	2.7
313.11472	10.3
323.10126	1.8
325.11655	5.6
327.13159	3.8
328.09940	1.6
329.10107	4.2
329.14615	2.2
337.11737	1.9
343.11685	2.0
344.12622	26.2
347.16885	2.4
353.11182	1.7
355.08734	2.3
355.12982	32.7
356.12827	1.6
357.10886	9.2
359.14996	81.4
360.15012	6.0
363.09607	2.5
367.12604	3.7
369.10672	2.0
371.12366	1.9
381.10541	3.2
387.15317	3.4
389.13312	6.0
389.17926	8.4
399.11914	14.9
401.13501	6.9
413.13211	2.0
431.14554	100.0
432.14941	8.2
443.14832	9.4
461.15506	12.4
467.14145	2.9
485.14948	4.7
489.14624	1.8
503.16614	5.6
521.17426	51.3
522.17737	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	520.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71131	0.8
54.40672	1.0
57.03432	1.0
59.01384	13.4
61.98830	100.0
69.75977	2.6
69.76375	1.9
71.01375	4.4
83.01417	1.0
85.02961	3.9
87.00861	1.7
89.02452	3.4
93.03434	1.5
96.96014	3.0
98.19989	1.8
99.92616	1.3
101.02428	2.1
109.02964	2.7
111.00869	1.9
113.02474	2.6
116.03528	0.9
116.92856	8.8
119.05029	49.2
125.02435	1.2
149.04500	0.9
163.04010	37.5
163.11288	3.3
164.04483	0.9
164.11606	2.7
191.05603	1.2
205.04987	0.9
255.06506	1.3
313.10962	2.0
328.09210	3.0
344.12448	6.2
359.14886	15.4
387.16553	5.2
388.16937	14.1
389.18030	2.0
431.14481	1.5
432.15845	1.5
457.13501	68.1
458.13718	3.8
520.21619	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	521.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.2
57.03432	4.5
58.00593	2.5
58.22256	1.5
59.01378	29.9
69.03449	2.2
70.86916	1.4
71.01377	25.6
71.51940	1.2
71.52367	1.8
72.99290	1.7
73.02954	11.4
75.00872	5.4
83.01381	7.1
85.02958	11.6
87.00858	2.7
88.98823	1.8
89.02448	8.3
93.03461	7.5
95.01366	2.6
98.45898	1.6
99.00858	4.0
101.02443	24.5
103.00364	3.0
109.02927	1.7
111.00876	6.8
111.04509	4.4
113.02455	11.1
116.92844	4.0
119.03477	2.5
119.56348	1.5
122.06125	4.6
125.02422	3.3
127.04111	1.9
129.01923	2.7
132.04576	2.0
138.27965	1.5
144.04555	2.0
146.06122	3.1
147.03134	1.8
149.04527	6.7
155.03502	6.0
155.10736	2.6
159.03116	1.5
160.03970	2.8
161.04570	2.7
165.04013	3.6
172.04053	4.9
173.04543	24.5
174.05624	3.6
176.06998	1.8
185.11877	2.8
191.05656	5.5
193.05074	1.7
196.80321	1.3
197.11832	3.2
202.05112	2.3
204.06627	11.2
209.11879	2.7
229.13414	1.8
231.05321	2.0
232.06013	2.5
238.11090	3.0
241.10579	3.3
248.05577	4.4
252.10323	1.4
253.13545	7.0
254.11992	2.2
255.11465	2.1
262.07153	4.6
263.08026	2.6
267.07584	1.9
268.08365	2.4
269.12842	3.2
281.09335	4.1
283.10928	2.8
287.13675	1.7
295.10867	5.8
296.11737	2.7
297.12442	27.1
298.12463	2.3
311.14047	2.6
323.10233	1.9
325.11777	7.5
329.14874	1.9
337.11923	2.7
344.12469	3.3
347.17087	76.8
348.17606	2.0
353.11179	2.4
355.12949	35.7
359.15198	10.2
363.09827	2.5
367.13004	3.9
373.14920	2.9
381.10751	2.9
387.15494	3.4
389.18237	8.0
399.11996	13.6
401.13538	9.7
413.13553	1.6
431.14563	100.0
432.14838	6.4
433.17023	6.5
443.14633	8.1
461.15677	12.3
467.14413	2.7
485.15558	6.4
503.16800	4.8
521.16974	30.1
521.22479	51.8
522.17163	2.7
522.23767	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	519.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
55.96076	0.7
57.03450	39.1
58.00586	2.1
59.01381	70.9
60.01730	1.4
60.87319	0.6
61.98831	7.5
67.01930	0.9
69.03450	0.9
69.23019	0.6
69.23993	4.6
69.24416	1.7
71.01383	43.4
71.05009	1.1
71.57063	0.6
72.01698	0.7
72.99302	3.7
73.02950	9.1
75.00877	1.6
83.01390	8.0
85.02959	15.1
87.00872	3.1
87.04526	1.6
88.98796	0.8
89.02449	30.0
93.03462	0.9
95.01414	3.2
97.02971	0.9
99.00874	3.8
99.04489	0.7
101.02440	31.6
102.02779	0.7
103.00363	1.3
111.00883	1.0
113.02456	13.3
113.09701	1.1
114.02828	0.7
119.03502	13.6
119.04852	0.8
121.10272	1.7
125.02410	2.5
127.00389	6.5
129.01950	1.8
131.03491	1.6
139.11317	1.0
141.12804	0.7
143.03510	2.9
145.01411	2.9
149.04520	3.0
157.12309	1.9
159.02986	1.9
161.04561	5.4
163.04059	1.2
171.10280	2.5
172.82588	0.7
173.04530	1.3
179.05618	4.0
183.13928	1.5
186.12646	0.7
187.13341	1.5
191.05560	1.0
199.13321	1.5
204.14130	0.7
255.19533	1.0
283.62503	0.8
297.24350	0.8
317.02362	0.7
327.25446	0.8
339.25284	1.8
357.26459	30.2
358.26990	1.8
371.24612	0.7
373.25934	37.8
374.26187	2.4
387.23947	1.4
399.23993	2.0
459.26129	1.1
519.32318	100.0
520.32892	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	519.317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14785	0.3
55.01870	0.8
56.64752	0.3
57.03436	0.6
58.00601	0.4
59.01380	11.4
61.98814	1.1
70.90582	0.3
70.90902	0.5
71.01382	8.5
71.05022	0.3
73.02940	1.5
81.72534	0.2
83.01385	1.0
85.02946	3.3
85.41368	0.3
87.00896	0.6
89.02447	2.5
95.01395	0.7
99.00861	0.7
101.02438	5.1
108.87675	0.3
111.00901	0.3
113.02445	2.7
119.03498	0.8
125.02412	0.5
134.26135	0.3
137.02438	0.5
171.10277	0.3
185.11835	1.1
185.70570	0.3
190.64229	0.3
205.03755	0.3
225.11438	0.3
229.46542	0.3
240.63155	0.3
288.40042	0.3
297.24298	0.5
309.24329	1.1
310.60327	0.3
311.25906	0.5
321.24164	0.7
327.25381	6.7
328.25714	0.5
339.25378	8.4
340.25711	0.5
341.26758	1.7
355.24835	0.5
357.26440	18.5
358.26782	1.2
489.30957	0.4
501.30502	1.7
519.31726	100.0
520.32007	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47005	0.4
51.31628	0.4
57.03455	1.9
59.01379	100.0
60.01729	0.6
61.98831	1.4
69.22983	3.8
71.01380	7.1
72.99309	0.6
73.02956	2.0
83.01386	0.9
84.30853	0.4
85.02944	2.6
87.00862	0.5
87.04507	0.5
89.02437	2.6
91.90633	0.4
95.01405	0.6
98.20676	0.8
99.00869	0.6
99.92652	0.6
101.02445	5.0
101.06090	1.1
113.02450	4.0
115.92125	0.5
116.92879	3.1
118.96808	0.4
119.03508	1.0
125.02486	0.6
128.79242	0.5
143.03510	0.9
159.03120	0.4
161.04620	1.2
232.21965	0.4
255.19843	0.9
297.20865	0.4
357.26599	0.7
373.26175	1.2
399.23853	13.6
400.24673	0.5
417.24905	12.3
418.25580	0.8
435.76764	0.4
459.26120	5.0
519.12195	0.5
519.32257	3.7
520.32135	0.7
540.39020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	57.2
58.00598	1.8
59.01381	100.0
60.01725	0.9
61.98844	4.9
68.24928	0.7
69.03474	0.9
69.38468	4.9
69.38879	1.3
70.22125	0.7
71.01384	23.9
72.99300	1.4
73.02950	6.4
75.00878	1.6
83.01392	6.4
83.05006	0.7
84.73949	0.8
85.02950	9.2
87.00867	1.3
87.04549	1.1
87.39642	0.7
89.02449	14.3
93.03455	0.9
95.01411	2.0
99.00903	2.1
101.02443	23.7
101.03106	1.2
105.37608	0.7
113.02457	10.4
115.03968	0.7
119.03519	6.6
119.04970	0.8
123.89336	0.6
125.02476	2.0
125.09772	1.2
127.00391	8.2
127.11295	1.5
131.03474	0.9
135.02951	1.0
135.27158	0.7
137.09702	0.9
138.40671	0.9
141.12808	0.8
143.03497	1.6
145.01378	5.6
149.04614	1.3
155.10799	1.0
159.03149	0.7
161.03371	0.7
161.04521	3.4
171.10284	3.4
173.04617	0.9
179.05667	2.3
199.13400	1.1
201.15057	1.0
222.96033	0.8
227.12881	0.9
339.25513	1.7
355.24991	1.3
357.16299	0.8
357.26434	10.4
371.24545	1.5
373.25931	61.0
374.26376	2.9
387.24411	1.2
399.23856	4.6
417.24869	4.3
459.26123	4.2
519.28925	30.4
519.31952	30.1
520.28577	2.2
520.33197	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40244	0.2
54.94814	0.2
55.01866	0.4
57.03439	0.8
58.00595	0.3
59.01381	100.0
60.01719	0.7
61.98833	0.6
62.06458	0.2
69.42155	1.5
71.01382	8.0
72.99357	0.2
73.02950	2.9
75.00867	0.4
83.01380	1.0
85.02953	3.9
87.00898	0.5
87.04544	0.3
89.02442	2.3
95.01401	0.6
96.60790	0.2
99.00912	0.9
101.02444	5.5
111.00930	0.3
113.02451	3.1
119.03532	0.8
122.57941	0.2
129.01982	0.4
143.03502	0.5
147.03096	0.3
149.04559	0.2
151.11348	0.2
152.23779	0.2
159.03050	0.6
161.04536	2.7
171.10294	0.2
178.28398	0.2
191.05652	0.4
194.49942	0.2
201.40295	0.2
203.05688	0.5
255.19765	0.9
279.19888	0.3
284.09000	0.2
345.22964	0.4
357.26495	2.1
371.24228	0.2
373.26016	0.3
387.19977	0.2
387.24313	0.4
399.23874	3.8
417.24930	6.7
418.25302	0.4
459.26007	11.3
460.26773	0.9
519.32056	10.9
520.32520	0.7
540.98901	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1154
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03451	9.0
59.01380	21.5
60.99307	1.2
61.98826	3.4
65.00327	1.6
67.01871	1.4
69.03431	0.8
69.25648	2.9
69.26072	3.1
71.01385	6.4
73.02952	2.4
75.00871	2.2
83.01392	2.4
85.02943	6.5
87.00871	3.3
88.98808	8.4
89.02454	4.3
93.03455	9.8
95.01357	1.1
96.96040	1.0
97.06635	0.9
97.61080	0.8
99.00885	1.9
101.02448	4.7
103.00374	0.9
107.01398	1.3
108.02193	1.2
109.02982	1.2
111.00882	2.0
111.04501	1.5
113.02436	4.6
119.03519	1.5
119.05046	0.9
121.02929	0.9
123.00903	0.9
125.02456	3.3
127.00398	1.5
128.03558	1.6
129.01950	1.8
135.02995	2.9
136.01700	3.9
137.02464	1.1
139.03966	1.0
143.04889	1.2
145.02942	1.7
149.04568	2.5
151.00388	8.0
151.04002	8.8
155.03583	0.9
155.05017	1.9
160.04044	1.6
161.04578	1.5
163.00360	1.3
163.12978	0.7
165.12822	0.9
171.04518	1.4
173.04547	6.0
175.02519	0.8
177.01930	2.2
179.10938	0.9
181.12373	1.3
183.04523	3.2
185.11905	0.9
187.04077	0.9
188.03484	1.3
189.01941	1.5
191.01971	2.0
191.05649	3.3
199.04015	8.7
201.11295	1.2
203.03596	1.1
207.13885	1.0
209.11861	0.7
211.03949	1.5
215.03464	3.5
215.74217	0.8
217.01408	1.9
218.04459	1.0
223.13551	1.0
225.11378	1.7
227.03491	9.4
233.59476	0.8
242.02164	3.8
243.02969	33.3
244.03589	1.6
254.02193	1.2
255.02968	23.1
256.03458	2.4
257.04590	3.3
267.07471	1.0
269.13913	3.0
270.01697	3.6
271.02469	50.8
272.02997	4.1
285.04044	7.1
286.04749	2.4
287.05609	1.5
299.01959	93.7
300.02692	35.9
301.03195	2.2
311.10388	10.2
312.10544	1.0
314.04315	89.3
315.05072	70.7
316.05563	2.5
329.02377	0.7
329.11349	0.8
335.60226	0.7
337.08240	2.3
344.21906	0.9
345.22964	3.5
355.09433	7.6
357.06235	3.3
357.13342	9.8
359.07211	0.7
373.18637	5.0
387.12006	6.3
387.16489	1.5
387.23889	8.6
401.18127	1.0
415.23480	1.6
431.22089	1.1
433.24063	1.0
475.08554	4.0
477.10330	4.1
481.11554	3.8
487.13663	3.2
519.11511	100.0
519.20416	14.4
519.28174	15.2
520.11835	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	517.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32308	0.9
57.33322	1.1
58.88525	0.9
63.62860	0.9
66.17759	0.9
69.03451	8.8
69.79132	3.9
69.79535	1.4
70.27197	0.9
70.39833	0.8
73.02917	1.0
85.02979	1.7
87.00876	100.0
99.09895	0.9
112.01617	1.3
113.02436	8.1
124.50098	0.9
157.01376	6.7
175.02467	51.4
204.23189	1.2
343.11032	1.2
358.91678	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45905	0.4
55.01869	1.0
57.03452	0.9
58.00579	0.6
59.01381	13.0
61.98831	2.3
67.36118	0.3
68.80600	0.3
68.99573	0.6
69.42062	0.3
71.01383	9.2
71.05012	0.6
71.53307	0.3
71.53656	0.4
72.99307	0.5
73.02953	2.4
83.01392	1.4
83.05005	0.4
85.02946	3.7
87.00860	1.0
89.02448	3.9
93.03470	0.3
95.01386	0.9
99.00887	0.8
101.02446	6.2
112.98540	0.6
113.02440	2.7
116.92934	0.3
119.03512	1.0
119.04996	1.0
121.02955	6.0
123.08179	0.4
125.02435	0.9
125.09721	1.7
141.41373	0.3
163.31245	0.3
173.08145	0.4
211.13231	0.4
261.11026	0.3
265.18079	0.6
295.22830	0.6
307.22946	0.4
318.58313	0.3
325.23846	5.5
326.24643	0.4
337.19989	0.6
337.23828	8.9
338.24185	0.8
339.25217	0.9
355.24857	17.5
356.25266	1.0
385.25858	0.4
408.78342	0.3
499.28915	1.6
513.60718	0.4
517.30164	100.0
518.30493	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2855
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
50.92995	0.3
51.98804	0.3
55.01881	2.5
57.03446	2.0
58.00580	0.6
59.01381	15.3
61.98824	2.6
69.03445	0.9
70.63145	0.3
71.01382	39.5
71.52940	0.4
72.99305	1.4
73.02946	14.5
75.00871	1.0
75.59139	0.3
81.03438	0.4
83.01382	5.2
85.02950	17.2
87.00874	2.1
89.02446	11.3
95.01388	2.7
97.02977	1.5
99.00871	6.3
101.02441	24.8
111.00878	0.6
113.02450	15.2
115.04001	0.9
119.03497	1.3
125.02457	2.4
129.01953	0.6
131.03500	2.3
143.03572	1.6
143.48312	0.3
149.03523	0.3
149.04561	2.0
149.71497	0.3
159.02979	2.9
161.04561	14.7
163.18315	0.3
191.05640	0.5
205.03490	0.5
233.06613	0.8
271.05927	0.3
293.08615	0.6
322.27643	0.3
383.24356	20.4
384.24640	1.2
404.11575	0.4
427.23691	0.5
427.44321	0.4
515.28589	100.0
516.28931	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	515.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.6
69.92731	2.1
73.25385	0.6
77.51904	0.5
81.58752	0.5
89.58328	0.5
99.04997	0.5
106.04240	0.8
107.05023	0.6
116.28779	0.5
163.11285	34.0
175.11290	1.1
176.12013	1.1
177.12857	4.8
190.10043	1.2
197.50920	0.5
201.12883	0.8
207.10257	1.0
208.11038	3.7
281.15414	1.8
282.16125	5.0
283.17023	6.9
284.17322	0.7
293.15488	1.3
338.16516	0.5
339.23254	100.0
340.23676	6.4
351.23184	6.9
504.59332	0.6
515.35272	97.0
516.35706	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	517.0036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39138	0.3
51.71916	0.3
55.69974	0.3
59.01377	63.3
60.01716	0.5
61.98830	0.6
70.08771	0.5
70.09144	0.6
71.62735	0.3
78.68686	0.3
89.18642	0.3
90.97135	1.3
103.52641	0.3
118.96629	0.7
132.98181	2.0
139.64607	0.3
156.99910	0.8
157.03555	1.0
174.99239	28.3
195.12242	0.3
201.02544	8.1
202.02550	0.4
217.00282	100.0
218.00612	1.4
228.85205	0.4
359.01431	15.4
360.01715	1.1
374.99191	65.1
375.99390	2.0
412.88986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	78.6
61.98829	58.8
64.83794	7.5
68.99577	26.5
71.01376	20.1
71.54000	6.1
83.05018	14.2
85.02937	7.6
87.00877	21.5
93.03444	12.9
101.02460	10.2
111.00868	39.2
111.04519	23.0
112.98564	38.6
113.02446	14.3
119.04954	8.2
125.02453	11.8
127.04071	15.8
130.93980	6.2
137.02379	7.3
155.03502	48.0
159.04552	14.0
161.04541	7.3
163.04016	17.4
187.03876	8.3
216.07916	10.9
256.57339	6.6
266.09592	7.9
269.14285	8.0
280.07596	7.9
281.08044	8.1
293.21082	6.4
294.08951	22.9
309.11325	99.0
323.09219	9.9
353.13934	100.0
353.23227	19.3
354.14362	9.1
367.26114	7.3
515.19934	25.5
515.29150	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62773	1.2
58.00603	1.4
58.04599	1.1
59.01378	42.3
69.26178	10.7
71.01381	34.4
72.99329	1.9
73.02953	5.1
75.00891	1.5
85.02952	5.6
87.00883	2.7
87.69903	1.2
89.02443	37.5
89.46030	1.3
93.03458	11.8
99.00880	3.2
101.02428	14.3
111.04532	4.6
112.98803	9.7
113.02422	12.3
115.00397	1.5
119.03482	13.6
129.01950	2.3
131.03514	1.8
137.02464	2.3
142.99886	11.5
143.03526	3.7
155.03491	5.6
161.04514	6.1
173.00925	8.0
173.04536	23.1
179.05600	17.9
227.00659	1.3
257.73645	1.6
262.50708	1.3
323.13400	2.9
341.10870	100.0
342.11139	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	15.2
59.01377	10.2
61.98536	0.8
61.98835	8.2
62.20758	0.5
68.99563	2.1
69.03447	2.0
71.01392	6.3
73.02948	1.8
81.03470	1.1
81.95303	0.6
83.01382	4.8
85.02965	1.5
86.03331	0.6
87.00871	1.5
89.02444	2.0
93.03460	2.1
95.05042	1.7
101.02416	3.5
105.03468	4.8
109.02947	1.3
111.00879	0.9
111.04488	0.7
112.98595	2.8
113.02462	8.6
114.02767	2.0
115.02821	1.1
119.05012	1.7
121.02966	1.4
125.02446	100.0
126.02803	1.5
127.03952	1.2
133.02991	1.4
137.02454	12.7
139.04016	0.8
149.02449	3.4
155.03548	0.9
161.02443	42.6
161.04602	2.5
162.02940	1.2
163.03918	1.5
165.01923	1.2
165.12860	4.3
166.02724	1.0
167.03500	1.7
175.03914	0.7
177.01945	0.9
177.05515	4.0
183.04514	0.9
183.13896	16.0
197.06047	0.6
201.05602	1.6
213.05600	0.9
219.06653	1.5
224.72084	0.6
225.05594	1.7
227.03514	0.9
227.12877	28.8
228.13205	1.0
229.01521	1.4
243.06659	1.6
269.04529	12.7
272.61566	0.7
287.05649	13.1
305.06601	3.8
353.23328	2.5
359.14978	0.8
359.28168	0.8
377.16058	3.3
383.24414	0.8
400.24298	1.0
401.24487	1.7
453.19250	0.8
471.20123	1.2
471.33139	1.5
512.71027	0.7
515.19897	1.6
515.28906	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69098	0.9
57.03458	1.6
58.00584	1.6
59.01379	48.9
60.90107	0.9
63.93216	0.9
64.88332	0.8
64.99013	0.9
71.01382	41.5
71.51337	1.3
72.99320	4.6
73.02953	6.5
75.00877	2.9
83.01389	2.8
83.05042	1.0
85.02963	8.6
85.18517	1.0
85.81358	0.9
87.00893	5.1
89.02442	50.1
90.02849	0.9
93.03448	9.8
95.01345	2.3
96.96004	3.3
99.00875	5.3
99.04528	1.8
101.02434	22.4
111.00903	1.2
111.04525	6.2
112.98811	12.2
113.02447	16.5
115.00378	2.2
117.16837	1.1
119.03496	18.4
129.01938	3.5
129.05594	1.4
131.03487	1.9
137.02470	2.7
142.99870	15.3
143.03474	5.1
145.01433	1.2
149.04555	1.7
155.03513	9.1
155.50037	1.0
161.04558	10.0
173.00908	10.9
173.04538	29.4
175.02481	1.4
179.05600	20.8
189.10390	0.9
191.05611	1.7
198.97020	1.0
276.66754	0.9
323.10016	1.3
323.13495	18.8
341.10886	100.0
342.11203	4.2
346.35873	0.9
473.90805	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53280	0.1
58.74614	0.1
59.01381	0.4
61.98830	100.0
69.54279	0.5
70.57912	0.1
85.61922	0.1
112.31728	0.1
163.04106	0.1
173.04572	0.1
254.48082	0.1
282.64404	0.1
452.33603	0.1
453.33975	0.1
454.33936	0.4
466.83850	0.1
474.94913	0.1
503.62820	0.1
514.32581	0.4
540.89807	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	515.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69098	0.9
57.03458	1.6
58.00584	1.6
59.01379	48.9
60.90107	0.9
63.93216	0.9
64.88332	0.8
64.99013	0.9
71.01382	41.5
71.51337	1.3
72.99320	4.6
73.02953	6.5
75.00877	2.9
83.01389	2.8
83.05042	1.0
85.02963	8.6
85.18517	1.0
85.81358	0.9
87.00893	5.1
89.02442	50.1
90.02849	0.9
93.03448	9.8
95.01345	2.3
96.96004	3.3
99.00875	5.3
99.04528	1.8
101.02434	22.4
111.00903	1.2
111.04525	6.2
112.98811	12.2
113.02447	16.5
115.00378	2.2
117.16837	1.1
119.03496	18.4
129.01938	3.5
129.05594	1.4
131.03487	1.9
137.02470	2.7
142.99870	15.3
143.03474	5.1
145.01433	1.2
149.04555	1.7
155.03513	9.1
155.50037	1.0
161.04558	10.0
173.00908	10.9
173.04538	29.4
175.02481	1.4
179.05600	20.8
189.10390	0.9
191.05611	1.7
198.97020	1.0
276.66754	0.9
323.10016	1.3
323.13495	18.8
341.10886	100.0
342.11203	4.2
346.35873	0.9
473.90805	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02022	1.6
57.03436	4.9
59.01381	40.4
61.98545	2.5
61.98833	38.6
67.01887	5.2
70.06130	4.4
70.06519	3.3
71.01382	14.8
73.02929	3.9
73.77989	1.5
78.91880	2.4
80.70036	1.9
80.78830	1.9
80.91699	2.1
81.03464	2.3
83.01381	3.7
83.05039	2.8
85.02956	9.6
87.00871	4.3
87.04498	2.6
89.02453	10.8
93.03458	23.1
96.96017	8.7
98.20589	2.1
99.00860	3.1
101.02419	5.7
111.00890	2.2
111.04501	6.7
111.71906	1.7
113.02457	8.9
115.00391	1.9
119.03469	3.6
119.05029	18.7
119.20364	1.9
123.04503	2.0
124.07710	2.5
125.02425	5.8
126.02762	2.8
129.01949	3.9
131.03514	5.7
137.02432	7.3
138.82961	1.8
139.44624	2.0
145.02876	2.0
149.04538	20.3
151.00336	4.3
155.03453	5.8
161.04559	3.1
163.04012	30.2
167.03503	3.2
173.04546	100.0
175.86734	1.8
177.01834	1.8
177.09142	3.1
191.05606	19.2
223.13330	7.2
267.12341	3.7
271.06140	2.8
289.07159	2.7
321.20920	1.9
337.09268	50.7
338.09583	2.7
398.20673	8.0
399.16449	8.6
451.10519	3.7
483.25952	6.5
484.26141	7.4
515.16357	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
57.03455	0.2
58.00595	0.3
59.01376	5.1
69.03456	0.1
71.01377	4.5
72.99303	0.3
73.02946	0.9
75.00907	0.1
83.01379	0.5
83.01775	0.1
83.05014	0.1
85.02943	1.0
87.00865	0.6
89.02441	3.1
91.04026	0.1
95.01405	0.4
97.02934	0.1
99.00896	0.3
99.04530	0.1
101.02441	3.9
103.04028	0.2
110.36523	0.1
113.02442	1.8
115.03984	0.1
119.03502	1.0
125.02464	0.2
127.07618	0.3
131.03519	0.1
133.05054	0.4
141.34401	0.0
143.03529	0.4
145.05145	0.1
149.04527	0.1
157.05087	0.2
161.04546	1.5
179.05653	0.5
187.06233	0.1
197.11914	0.1
205.19521	0.1
233.22746	0.4
235.08191	1.3
253.09265	15.4
254.09683	0.4
259.20605	0.4
275.20114	0.4
277.21695	100.0
278.22037	5.4
307.91949	0.1
377.96231	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
55.01875	0.3
57.03445	0.1
58.00592	0.2
59.01378	5.6
59.98499	0.1
61.98826	0.1
68.99861	0.0
69.03455	0.1
71.01380	5.0
71.05897	0.0
72.01730	0.1
72.99297	0.3
73.02947	1.0
75.00870	0.1
78.95913	0.1
81.03461	0.1
83.01389	0.5
83.05029	0.1
84.02178	0.1
85.02949	1.2
86.00093	0.1
87.00871	0.6
89.02444	3.5
90.02781	0.0
91.04001	0.2
95.01382	0.3
97.02953	0.2
97.06617	0.0
97.80013	0.0
99.00885	0.3
99.04519	0.1
101.02440	4.6
102.02760	0.0
103.04002	0.1
112.01662	0.0
113.02448	2.1
114.02839	0.0
115.04005	0.1
119.03510	1.0
125.02481	0.2
127.07615	0.2
129.01971	0.1
131.03487	0.2
133.05077	0.3
139.87677	0.0
143.03499	0.4
145.05052	0.1
149.04562	0.1
152.99599	0.1
157.05083	0.1
161.04556	1.7
161.05898	0.1
169.05084	0.0
179.05589	0.4
182.13104	0.1
183.13760	0.0
205.19496	0.1
233.22722	0.3
235.08206	1.3
253.09274	16.3
254.09683	0.5
259.20560	0.4
275.20041	0.3
277.21695	100.0
277.88504	0.0
278.22037	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	513.2698
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
55.01877	1.7
55.80465	0.4
58.00591	3.4
59.01380	82.1
60.01717	0.7
61.53466	0.5
61.98830	3.6
69.03455	0.8
71.01383	75.2
71.53046	0.6
72.99314	4.5
73.02948	21.2
75.00873	1.0
83.01395	3.3
83.05035	0.6
85.02947	13.2
87.00879	3.5
89.02445	100.0
90.02791	1.0
95.01394	3.5
97.02961	2.5
99.00882	32.8
99.04549	0.8
100.24409	0.5
101.02444	55.3
102.94563	0.4
111.00849	0.7
113.02451	20.7
115.04025	1.7
119.03503	13.7
125.02457	5.0
131.03502	21.0
136.76660	0.5
143.03496	5.1
149.04553	70.6
150.04889	1.0
159.02980	0.8
161.04555	9.1
167.03545	0.6
179.05566	4.6
185.11806	0.8
191.05620	17.8
192.05858	0.6
209.11719	0.5
221.06595	2.7
233.06628	2.4
251.07697	6.0
269.19116	0.7
271.20660	0.6
275.07840	0.5
277.45114	0.5
293.08713	1.1
301.00171	0.5
311.09818	1.1
315.19675	1.5
381.22763	9.5
382.23279	0.6
383.24481	0.6
513.27026	85.8
514.27374	5.5
521.95789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12498	0.4
50.45821	0.4
54.27563	0.4
55.01872	1.7
57.03454	2.2
59.01384	6.2
61.98836	4.7
69.03459	10.2
69.42185	2.7
71.01383	30.7
72.99304	0.7
73.02949	9.9
75.00889	0.4
83.01385	3.1
85.02953	14.7
87.00880	1.0
89.02438	1.7
93.03437	0.4
94.12541	0.4
95.01383	2.2
96.95969	0.5
97.02956	0.9
98.00087	0.9
99.00891	4.8
99.87058	0.4
101.02446	17.1
101.03113	0.9
113.02453	100.0
114.02778	1.8
125.02431	1.0
125.50828	0.4
127.04034	1.0
139.07681	0.6
143.03516	2.4
159.02992	3.7
160.03540	0.4
161.04555	28.0
162.04938	0.6
169.57240	0.4
205.03619	0.6
221.15424	0.5
278.46628	0.4
399.23862	39.0
400.24124	2.4
443.22687	0.7
469.31812	0.7
513.20459	0.6
513.30511	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33266	0.6
59.01378	5.7
61.98827	4.6
70.65075	1.2
70.65411	1.4
71.01395	6.6
73.02952	5.9
81.07088	1.3
82.30985	0.7
83.05024	1.7
85.02944	0.9
85.48494	0.7
87.00893	2.4
87.29404	0.6
89.02444	26.1
91.05488	0.6
93.03476	1.1
96.96030	2.4
99.04538	3.0
101.02465	0.7
103.04029	2.5
113.02438	1.3
119.05017	0.9
125.02472	3.5
131.03514	9.7
137.02483	0.9
149.04553	100.0
149.99590	0.9
150.04877	1.6
159.08177	0.7
161.13354	31.0
163.04050	0.8
168.00696	1.8
169.01439	1.1
173.04550	1.7
180.68849	0.6
187.11253	5.5
205.12329	56.2
206.12715	2.6
249.11317	19.7
249.13728	1.3
250.11765	1.1
337.16418	1.0
363.14633	3.3
381.15515	23.0
382.15924	1.4
423.53159	0.7
513.19757	45.0
514.20270	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	513.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77841	1.1
59.01381	27.2
61.98833	30.9
64.55837	1.2
69.03455	3.7
71.01386	14.1
72.99312	1.3
73.02945	6.8
81.07093	2.8
83.01396	6.0
85.02955	4.4
87.00888	3.5
88.98845	1.5
89.02444	29.1
91.44329	1.5
93.03458	9.7
96.96014	6.5
99.00889	3.8
99.04524	5.3
101.02429	3.5
109.02945	1.6
111.00883	3.9
111.04491	1.3
112.98573	1.6
113.02449	7.5
113.06131	2.7
115.00375	2.7
117.03493	1.6
119.03517	2.0
119.05027	9.8
121.03030	1.5
123.04500	1.5
125.02450	5.8
129.01904	1.9
131.03529	8.0
131.05038	4.2
133.03014	2.1
133.06596	2.4
135.04536	3.0
137.02451	5.5
137.03429	1.0
137.86513	1.3
139.00392	10.8
145.03015	7.0
147.04541	5.3
147.08163	2.6
149.04565	100.0
149.06046	15.4
150.04851	2.0
157.01457	10.6
159.04529	1.8
161.04686	1.4
161.13371	36.6
162.13750	1.9
162.71613	1.3
163.04005	8.1
168.00674	2.3
169.01538	1.6
171.04474	1.3
172.05292	1.6
173.04584	6.4
175.02460	3.8
176.96965	1.7
177.05580	4.5
187.03951	1.8
187.07617	2.8
187.11281	7.0
203.03410	2.2
205.12334	52.3
206.12614	2.6
209.08176	17.2
209.11801	2.0
217.05096	1.7
221.04533	10.8
231.06699	2.4
249.11331	79.7
250.11664	4.0
259.06024	2.4
261.04144	2.3
263.05649	1.8
270.47656	1.2
275.05667	3.7
298.05234	1.3
302.46646	1.2
302.50580	1.2
303.05084	25.6
304.05609	1.3
321.06021	3.4
363.14447	1.9
367.10312	2.9
381.15546	55.2
382.15707	2.8
387.16281	1.6
427.17435	1.2
474.20212	1.4
513.19843	55.1
514.20300	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	513.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.3
59.01381	33.5
61.30687	0.8
61.98820	5.5
69.94685	3.9
70.16772	0.9
71.01012	1.4
71.01378	23.0
72.99300	2.0
73.02928	2.4
74.15601	0.9
80.05062	2.1
83.01379	2.0
85.02948	5.8
87.00873	5.2
89.02447	16.6
92.05093	0.8
94.06644	1.3
95.01361	2.6
98.19930	0.8
99.00871	1.3
101.02435	14.9
108.04506	2.6
113.02454	8.2
119.03521	6.9
120.04530	0.9
121.05273	4.0
122.06113	10.8
124.78301	0.9
125.02389	1.9
131.03391	1.3
136.04001	2.2
136.07674	1.8
138.05553	4.4
139.69594	0.9
140.07191	1.7
143.03539	1.1
148.04007	2.0
149.04745	2.9
149.81451	0.8
150.05594	4.9
158.06117	1.3
159.06888	1.4
161.04602	1.4
162.05600	1.4
165.04269	2.7
166.05087	4.7
173.04553	1.5
173.08453	1.5
174.09207	1.1
174.12872	1.8
175.06366	1.2
183.02884	1.8
184.11290	3.8
188.07111	2.6
189.07906	1.2
191.05492	1.0
202.12323	7.1
204.06702	6.9
204.10223	1.2
213.06496	1.1
216.06599	5.9
216.08804	1.5
217.07401	5.0
218.08299	1.1
227.11855	1.0
228.10356	2.6
229.09781	5.8
230.08237	1.1
231.08990	3.2
231.11328	20.9
241.10007	1.0
242.06833	0.9
243.11324	2.5
246.11333	8.8
253.09853	2.2
256.08609	1.1
270.10156	1.4
271.10849	29.5
272.11407	1.7
273.12436	1.1
328.10199	1.3
346.11472	3.5
390.10507	2.0
397.13718	4.3
408.16437	1.0
411.15454	1.2
426.18051	2.1
433.16104	2.8
451.17200	29.9
452.17670	2.2
469.18149	6.9
470.16779	1.7
495.16705	5.7
513.17194	100.0
514.17542	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19430	2.0
59.01381	4.7
61.98839	20.5
68.89604	1.8
71.01378	6.1
71.52342	3.9
85.02989	3.0
85.06588	16.3
87.00876	8.4
101.02463	1.8
111.00793	2.0
111.04543	2.5
113.02422	2.5
113.06080	15.8
115.04023	37.3
119.05012	8.2
125.02436	7.5
131.07138	2.9
132.04562	2.3
138.34064	1.9
142.32715	2.1
144.33765	2.5
145.02960	2.5
155.03461	2.5
157.05148	2.8
163.03995	11.0
167.03401	2.1
173.04616	2.8
175.06116	100.0
175.91965	2.0
176.06435	3.9
177.01920	3.9
191.05573	11.2
219.50977	2.0
231.11372	3.1
271.10834	3.7
337.09244	7.7
451.11835	2.9
451.17386	3.3
513.17401	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21304	1.1
57.03441	1.3
58.00573	1.3
59.01380	38.7
59.72358	1.5
60.46873	1.3
61.98833	8.3
67.01867	1.5
70.81852	2.8
71.01015	1.7
71.01384	24.9
72.99297	1.1
73.02940	2.0
80.05021	1.3
83.01382	2.4
85.02966	6.2
87.00871	5.6
89.02445	20.6
93.03432	4.8
95.01373	2.7
96.95980	1.6
99.00917	1.5
100.65701	1.4
101.02435	13.4
108.04523	3.1
113.02437	7.5
114.58251	1.1
119.03535	7.2
119.05006	2.2
121.05310	5.0
122.06107	10.0
125.02402	3.2
136.07687	2.4
138.05594	4.3
148.04007	1.3
149.04849	2.7
150.05591	4.3
155.03502	2.0
156.29848	1.1
158.06119	1.2
159.06862	1.6
160.11420	1.5
161.04524	1.5
165.01965	1.5
165.04262	4.6
166.05081	4.1
173.04550	14.0
173.08450	2.0
174.12929	1.8
179.05568	1.6
184.11304	4.9
188.07150	2.8
189.07945	2.1
202.12395	7.9
203.09570	1.5
204.06693	6.0
211.89655	1.2
216.06667	5.9
216.08849	2.1
217.07387	4.9
218.08179	1.4
227.11761	1.6
228.00839	1.2
228.10184	3.3
229.09859	7.6
231.09245	1.4
231.11353	20.2
243.11450	1.4
246.11340	10.5
253.09869	3.4
270.10049	2.8
271.08151	2.4
271.10861	29.5
312.10321	1.3
346.11395	2.4
390.10397	1.8
397.13861	5.7
423.81784	1.4
426.17780	2.1
433.15817	1.7
451.17212	28.4
469.18173	7.1
470.16943	1.5
495.16098	9.2
513.17230	100.0
514.17188	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	512.104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54854	0.2
59.01379	1.2
61.98830	100.0
64.34930	0.3
70.41740	0.3
71.01386	0.8
71.52795	0.4
79.35809	0.2
85.02941	0.4
87.00891	0.5
89.02473	0.7
94.83546	0.2
96.96027	0.3
101.02448	0.6
113.02458	0.4
122.06132	0.4
125.02426	0.6
137.02457	0.4
173.04555	0.3
197.11234	0.3
207.91766	0.3
231.11407	0.5
254.23793	0.3
265.40308	0.2
271.10925	0.8
287.05591	0.4
366.28702	0.3
388.81058	0.3
451.17053	0.5
513.17328	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	512.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39697	0.5
56.12631	0.5
57.03453	0.9
59.01381	2.1
61.98830	41.7
63.02387	1.1
65.00323	8.5
68.97849	0.6
69.36806	4.0
71.01395	0.9
73.02948	0.7
83.01370	4.4
85.02976	0.8
93.03458	1.2
96.95995	0.6
98.20667	1.0
99.00862	0.6
101.02461	0.8
107.01390	16.5
109.02948	2.2
119.05009	0.6
125.02442	10.4
133.02969	0.7
134.03752	1.3
135.04520	61.1
136.04872	1.2
137.02460	1.9
139.04036	0.7
144.02187	0.5
149.02412	1.0
151.00363	100.0
152.00703	2.0
161.02419	3.6
161.04582	0.6
164.01158	1.0
165.01926	1.3
167.03397	0.8
169.01433	2.7
173.04584	1.3
177.01953	0.8
179.03470	0.6
193.01418	0.8
230.22217	0.5
265.10828	0.8
269.04675	0.7
287.05597	79.7
288.05978	3.5
300.02914	0.9
302.03214	1.0
305.06653	2.5
311.10483	1.5
313.05688	3.3
321.68054	0.6
355.09177	0.8
387.11871	2.0
436.19308	0.6
449.10840	45.2
450.10977	2.5
477.10663	0.8
512.19281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.4
57.23689	0.3
59.01374	1.5
59.27816	0.3
61.98821	2.1
63.57632	0.3
63.93243	0.3
71.52591	0.4
80.02675	1.2
81.03450	1.5
83.05027	5.6
84.02174	0.7
89.83958	0.3
91.13561	0.4
93.03455	1.2
95.05027	1.3
96.04321	0.4
97.06579	1.0
109.06607	1.1
111.04533	0.6
123.08150	1.0
125.06073	0.7
125.09704	2.3
135.08182	1.8
149.09695	0.9
156.31207	0.3
160.14714	0.3
163.11299	3.9
163.63855	0.3
165.12845	2.3
171.10263	25.6
177.09227	0.4
181.12334	0.6
185.11844	1.6
191.10779	1.3
203.14386	0.7
205.12346	0.4
207.10265	0.8
209.11819	100.0
210.12148	3.0
221.11794	1.2
223.13431	1.2
227.12886	8.7
229.12276	0.5
231.13959	0.8
237.14793	0.4
247.13387	7.7
248.13812	0.4
249.14951	0.5
255.03073	0.3
265.14413	3.2
283.15555	0.3
321.17032	0.6
339.17932	0.4
357.20761	0.4
373.23752	0.5
375.21655	1.2
375.25583	1.0
383.22284	0.5
393.22461	0.4
401.23254	1.0
419.24460	1.2
431.24451	0.7
449.25436	3.0
457.26160	0.5
467.26434	0.4
475.27048	3.9
493.28070	2.4
511.29184	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.4
59.01377	1.9
61.98829	2.3
67.15366	0.3
71.01370	0.5
71.09531	0.4
71.09852	0.7
71.15886	0.3
80.02673	0.9
81.03469	1.8
83.05025	5.6
84.02148	0.7
93.03444	1.1
95.05036	1.4
97.06628	0.8
101.02425	0.4
109.06575	0.8
123.04526	0.3
123.08188	0.8
125.02422	0.5
125.06089	0.7
125.09702	2.2
125.86876	0.4
127.11275	0.6
135.08163	1.3
149.09732	1.0
163.11273	4.3
165.12878	2.2
171.10272	27.6
172.10638	0.7
181.12318	1.0
182.04594	0.5
183.04784	0.5
185.11806	1.7
191.10738	0.9
203.14418	0.9
207.10252	0.5
209.11821	100.0
210.12192	3.4
219.13895	0.5
221.11769	1.3
223.13406	1.4
227.12889	8.8
229.12283	0.8
237.14891	0.5
247.13380	7.7
265.14447	2.8
283.15509	0.5
321.17148	0.5
331.22861	0.6
357.20795	0.7
373.23959	0.4
375.21609	1.4
375.25510	1.0
383.22324	0.6
401.23196	1.9
419.24356	0.8
431.24164	0.7
437.25580	0.5
449.25391	2.8
457.26205	0.5
475.27005	3.5
493.28009	2.5
498.91376	0.4
511.23392	0.5
511.29422	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	511.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.7
60.84387	0.5
61.13526	0.5
61.98812	1.2
67.34900	0.6
71.01381	2.3
72.99328	0.5
73.02966	0.6
75.00890	1.3
79.07453	0.5
79.95761	2.8
83.01399	0.6
85.02514	0.5
85.02926	2.7
87.00882	1.0
89.02446	1.2
95.01392	0.8
96.96013	100.0
98.19900	2.0
99.00892	1.2
101.02448	0.8
103.00340	0.6
109.02964	0.6
113.02459	9.1
113.99593	1.1
115.00394	0.8
123.04526	1.1
125.02450	1.6
135.02979	0.6
143.34929	0.5
147.03011	0.5
149.02383	0.8
150.45465	0.5
161.04619	0.6
167.03438	0.8
171.70464	0.5
173.04489	1.1
175.02480	1.8
184.86110	0.6
207.10254	1.9
215.90640	0.5
229.59753	0.6
249.13452	1.5
284.03250	8.0
299.05603	10.4
300.06119	0.6
365.11304	0.6
413.14279	0.7
475.08722	5.6
511.20090	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	511.291
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
50.77102	0.9
55.97834	0.9
59.01380	1.3
61.98815	2.8
69.49449	3.6
69.49850	2.9
71.47980	0.9
83.54448	1.1
111.08174	2.3
120.42036	0.9
123.30274	0.9
165.12845	17.5
183.13895	100.0
184.14224	2.6
209.11819	4.3
227.12869	16.2
266.94772	1.1
283.15619	1.8
301.16553	11.3
349.59625	0.9
373.94699	1.1
467.30234	1.7
493.28146	2.1
511.29111	43.1
511.36716	2.3
512.29535	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	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64159	0.3
59.01377	2.0
61.98830	100.0
69.52857	2.0
71.01385	1.3
73.02940	0.4
79.79440	0.2
83.01396	0.5
85.02954	0.8
87.00898	0.4
89.02449	0.4
96.96020	1.0
101.02431	0.7
113.02438	0.6
125.02441	1.9
137.02469	0.3
239.60849	0.3
285.04031	0.6
301.67529	0.3
311.10297	0.4
400.83044	0.3
434.17282	1.8
450.24280	2.5
478.16232	1.6
510.18884	1.1
511.19586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
61.98832	100.0
64.75505	0.2
68.93222	0.2
71.01438	0.2
71.53325	0.3
88.98815	0.3
89.02451	0.3
93.03464	0.3
96.96033	0.3
125.02408	0.5
165.75517	0.3
181.08743	0.3
182.09106	0.3
203.63867	0.3
270.33478	0.3
285.04080	0.3
312.12000	0.2
469.33987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
59.73495	0.2
61.98831	100.0
69.30018	0.6
69.30438	0.9
71.01367	0.5
85.02983	0.3
96.96036	0.8
101.02479	0.2
125.02457	0.6
137.02501	0.4
144.38113	0.2
159.07875	0.2
161.02480	0.4
163.04033	0.3
198.80069	0.2
207.73531	0.2
207.94858	0.2
285.04135	0.4
285.07599	0.4
323.68991	0.2
510.11307	0.3
510.19174	0.2
511.11130	0.4
511.18597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70931	0.3
59.01370	1.3
61.98830	4.9
70.90805	0.8
71.01379	0.5
75.00874	0.5
83.01391	0.4
93.03460	0.4
107.01391	1.3
125.02414	0.6
133.02957	5.1
149.02460	1.3
151.00360	3.4
175.03967	2.0
199.03976	2.0
201.01872	0.6
213.05551	0.5
215.03520	0.4
217.05116	0.8
241.05037	1.0
243.03101	0.7
255.02922	0.7
256.03824	1.9
257.04395	0.5
271.02521	1.0
284.03275	3.1
285.04044	100.0
286.04395	4.8
300.02811	1.7
301.03574	0.7
323.86331	0.4
329.23114	0.6
447.09299	55.8
448.09631	2.9
509.29428	0.9
510.30090	0.6
515.02045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74221	0.4
61.98834	7.5
69.40803	0.4
69.41441	2.8
70.79439	0.4
91.21540	0.5
93.03538	0.4
107.01376	1.0
124.65030	0.5
133.02982	1.7
149.02420	1.1
151.00420	2.4
175.03970	1.2
196.57352	0.5
199.04033	0.6
227.03438	0.7
228.37698	0.5
228.91216	0.5
249.42963	0.4
256.03802	1.9
279.03494	0.5
279.35745	0.5
284.03262	47.4
285.04028	96.4
286.04431	4.4
297.03851	0.5
327.04980	0.9
447.09302	100.0
448.09705	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	509.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
57.03437	3.4
59.01381	86.2
61.98832	12.4
68.20543	1.1
69.41127	1.1
71.01384	32.2
72.99309	1.9
73.02946	18.5
75.00869	2.7
79.07012	1.3
83.01388	5.8
85.02947	17.6
87.00864	2.0
89.02460	7.2
93.74134	1.2
95.01405	1.9
97.02977	1.5
99.00888	8.0
101.02443	29.1
101.26166	1.4
103.00361	4.5
111.00885	2.4
111.56032	1.4
111.68254	1.3
112.01621	1.5
113.02451	15.4
125.02448	2.8
131.03496	3.0
137.02435	1.7
143.03499	2.0
159.03027	3.9
161.04572	11.5
273.17215	1.6
291.18130	25.4
327.12033	1.6
333.19119	4.1
405.21304	2.2
423.22321	39.4
424.22656	3.9
465.23364	100.0
466.23758	6.9
488.05380	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	509.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78900	2.2
78.95901	17.2
96.96963	1.5
98.19969	0.6
106.45912	0.4
146.79192	0.4
152.99588	27.9
171.00679	2.1
227.03252	4.1
245.04251	1.1
281.24841	100.0
282.25177	4.5
323.32629	0.4
325.48303	0.5
417.24210	0.7
470.05768	0.5
509.28809	69.6
510.29248	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	510.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15567	0.5
59.01375	3.3
61.98832	57.4
65.00311	0.8
67.51637	0.5
69.35458	4.4
71.01376	1.9
85.02905	0.7
86.14468	0.5
87.00857	0.7
89.02441	1.2
90.92999	0.5
96.96040	1.1
101.02425	1.1
106.57742	0.5
107.01382	1.2
113.02492	0.5
115.71548	0.5
121.02940	1.4
125.02481	0.8
133.02950	4.6
149.02408	0.8
151.00349	2.6
173.04596	0.6
175.02548	0.6
175.04025	1.8
175.96193	0.4
185.06201	0.7
185.11816	1.4
199.04004	1.7
215.44817	0.6
217.05157	1.1
241.05151	0.7
243.02971	0.9
245.13957	1.1
246.14458	0.6
271.02383	0.8
271.05038	0.6
284.03217	1.0
285.04053	100.0
286.04395	4.7
300.02689	1.9
329.23254	0.7
330.23663	0.6
402.50342	0.6
429.08398	1.2
447.09259	18.5
448.09644	1.3
509.29312	1.3
510.29858	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	508.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04679	1.3
57.03437	1.7
59.01386	12.7
60.99302	1.7
61.98829	27.4
62.52571	1.4
63.02407	1.3
70.67950	1.5
70.68307	3.4
71.01395	6.4
72.99298	1.1
73.02962	1.8
73.81298	1.2
74.42474	1.3
77.81695	1.1
77.93333	1.2
78.71463	1.2
78.88956	1.1
83.01388	2.7
85.02940	4.6
87.00867	2.3
88.98818	9.9
89.02440	5.3
93.03451	4.0
96.96010	1.4
99.00957	1.6
101.02428	4.0
107.01391	4.7
108.02203	1.3
109.02940	3.4
113.02423	5.4
119.03565	1.7
119.05003	4.7
121.02928	3.7
125.02410	1.1
126.54705	1.1
135.00815	1.4
137.02411	2.9
145.02968	1.8
149.02530	1.4
151.00372	15.8
161.02408	1.4
163.00340	4.1
163.03992	8.1
164.04295	1.2
173.04530	1.3
175.02542	1.5
178.44690	1.2
178.99873	7.9
187.03954	1.3
220.35664	1.2
227.03448	2.4
229.04958	1.8
229.51675	1.4
243.02960	6.8
245.04425	2.7
254.02238	3.3
255.02965	20.2
269.04526	17.7
271.02460	44.0
271.05493	2.6
272.03006	5.0
273.03967	2.9
299.01999	2.0
300.02737	75.5
301.03503	85.0
302.03836	3.2
313.36752	1.3
375.27716	2.1
427.19742	10.7
427.69589	3.7
445.07751	100.0
446.08032	7.6
494.89551	1.6
507.27844	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39874	0.5
53.80172	0.6
55.01882	0.6
57.03443	1.2
59.01380	5.7
61.98829	49.4
63.02427	1.1
66.16732	0.7
69.60126	4.1
71.01380	4.6
72.99291	0.6
73.02940	1.0
75.00877	2.5
77.10064	0.6
79.71282	0.6
85.02947	12.6
87.00881	1.8
89.02448	1.1
93.03452	0.9
95.01366	4.0
98.20602	1.3
99.00877	4.3
103.00383	2.4
107.01424	1.0
111.70487	0.6
113.02448	27.3
115.00372	1.2
117.01967	1.6
117.03479	2.9
121.02887	0.8
129.01959	1.1
149.02451	1.8
151.00381	1.9
153.25009	0.8
159.04457	0.8
161.02446	0.7
175.02461	11.9
197.06073	0.7
201.05713	0.8
269.04541	100.0
270.04892	4.9
375.16592	1.3
445.07748	18.6
446.08124	1.1
467.34402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02304	0.5
57.03438	2.5
59.01381	10.3
61.98830	47.5
63.02393	1.0
67.50261	0.6
70.30221	0.6
71.01387	4.2
71.53401	0.9
72.99319	1.0
73.02952	1.6
75.00867	2.2
81.09910	0.7
85.02949	13.3
87.00877	1.9
89.02428	0.8
95.01399	3.5
99.00883	4.0
103.00363	2.2
107.01438	0.8
113.02452	28.4
117.01968	1.6
117.03464	2.7
129.01961	1.1
139.11281	3.8
140.11592	2.0
149.02438	1.5
151.00316	1.9
159.04541	1.4
175.02481	13.1
176.02676	0.6
181.12299	2.2
182.12697	1.0
183.10280	4.2
184.10628	1.7
191.01900	1.1
193.56532	0.7
199.13448	1.8
200.13721	1.0
201.11351	1.1
202.11723	1.1
209.62737	0.7
217.16515	0.8
225.05458	0.9
225.11308	1.3
226.11674	0.8
240.95230	0.8
243.12375	10.2
244.12700	5.6
266.62048	0.7
269.04550	100.0
270.04898	6.5
274.57193	0.6
303.88559	0.7
315.40973	0.8
322.20587	0.7
325.77008	0.8
346.96558	0.6
375.16714	3.5
376.16806	4.6
445.07788	20.4
446.08752	1.2
507.20526	1.5
508.21143	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	507.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39090	0.2
55.01874	2.7
57.03448	2.6
58.00592	0.6
58.03785	0.2
59.01383	12.4
60.01713	0.2
61.98829	2.8
68.99813	0.3
69.03452	0.5
70.72337	0.2
71.01382	25.2
72.01718	0.2
72.99311	1.4
73.02947	9.0
75.00880	0.6
83.01391	5.8
84.02131	0.3
84.61635	0.2
85.02952	15.3
86.00088	0.6
86.03309	0.4
87.00877	1.6
89.02451	2.3
95.01386	2.5
97.02938	0.7
98.19824	0.4
99.00881	4.6
101.02448	21.7
102.02740	0.3
111.00882	3.5
111.01573	0.3
113.02451	9.8
114.02791	0.3
119.03475	0.7
119.05038	0.2
125.02445	0.8
129.01938	0.9
131.03531	0.2
141.01964	0.5
141.12898	0.3
143.03584	0.9
155.03537	0.2
159.03017	2.4
161.04553	6.3
163.03999	0.3
171.13873	0.8
185.11833	0.4
185.15379	0.2
186.12120	0.3
241.05147	0.3
253.21457	0.2
269.04651	0.6
279.23306	0.5
286.50238	0.2
297.24347	0.3
299.25885	2.2
311.26022	0.3
343.28552	0.3
345.30063	7.1
346.30212	0.3
359.28036	2.3
445.07645	0.2
447.12628	0.2
447.22372	0.2
489.33987	0.3
507.35370	100.0
508.35751	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	507.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.6
57.03451	1.3
59.01382	13.3
60.99324	0.5
61.98833	22.1
69.31719	1.8
69.32139	2.3
71.01379	12.2
72.99283	0.7
73.02950	4.5
75.00872	0.9
78.95917	0.6
83.01371	1.6
85.02951	4.6
87.00870	1.7
88.98807	5.5
89.02451	5.9
93.03452	1.1
95.01366	0.7
95.55315	0.6
96.01810	0.5
97.02987	0.6
99.00881	1.8
101.02454	9.3
113.02460	4.6
119.03494	1.2
119.64684	0.5
125.02457	0.9
142.03854	0.6
149.04562	0.6
159.03004	0.6
161.04567	5.5
163.55959	0.5
167.14381	1.2
171.31367	0.5
173.04494	0.7
183.13889	5.0
191.05577	0.8
193.12407	1.3
211.13391	100.0
212.13689	4.0
229.14447	0.9
235.08304	0.7
253.09293	13.3
269.04474	0.8
315.18210	3.5
329.23251	0.8
341.08530	0.6
357.26581	0.6
374.26331	1.0
375.27463	10.7
447.22351	30.0
448.22800	3.1
507.20349	0.6
507.31476	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13754	0.4
59.01366	0.5
61.98823	0.4
69.19674	2.4
69.20100	0.7
69.79022	0.3
70.17069	0.3
78.95908	7.5
88.88318	0.3
92.02747	0.3
96.96962	0.8
108.16801	0.4
151.10033	0.3
152.99591	15.9
171.00629	1.0
227.03284	2.4
244.18292	0.3
245.04286	1.6
261.22128	0.3
279.23279	100.0
280.23630	5.4
385.44879	0.3
410.34949	0.3
507.27274	35.3
508.27786	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66887	0.2
57.03442	1.1
58.00574	0.3
59.01381	2.2
60.99301	0.3
61.98828	1.7
69.03432	0.5
70.93100	0.4
71.01373	0.7
72.99290	0.2
73.02955	1.0
83.05037	0.3
85.02941	0.7
87.00830	0.2
87.04498	0.9
88.98807	1.8
89.02452	1.0
93.03475	0.3
97.06607	0.4
101.02443	0.6
109.06574	0.5
113.02454	0.4
113.09714	0.2
123.08155	1.0
125.02409	0.2
125.09754	0.3
126.42023	0.2
131.03471	0.3
135.08130	0.6
137.02452	0.2
139.11282	0.7
141.09236	0.2
141.12825	0.7
149.04572	0.4
153.09196	0.5
155.38309	0.2
157.12338	1.7
163.03964	0.2
169.12308	1.0
183.13895	0.4
185.11819	2.1
211.13370	0.5
213.11360	0.3
215.12860	1.4
227.13016	0.2
251.20255	0.2
269.04434	0.4
311.22366	0.4
315.18045	0.2
327.21768	0.5
327.25372	0.5
329.23257	2.4
339.25427	0.5
357.26465	3.1
359.17657	0.2
371.23718	0.2
373.25876	2.4
375.27481	100.0
376.27838	5.4
447.21805	0.9
459.04642	0.2
507.31741	25.0
508.32074	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.6
59.01378	33.7
61.98830	17.4
63.02415	0.7
63.86861	0.7
68.81473	0.7
69.03434	1.9
69.41399	0.6
71.01384	3.1
71.52950	0.9
73.02948	4.0
75.00865	1.1
75.77224	0.7
83.01360	1.0
83.75758	0.7
85.02939	5.3
87.00890	1.8
88.98790	0.8
89.02436	1.7
93.03463	1.4
95.01398	1.1
99.00864	1.6
101.02429	0.8
111.00869	2.1
113.02442	11.0
117.03442	1.2
129.01955	1.3
131.03508	1.0
137.00368	0.7
139.11287	41.6
140.11610	0.9
149.04541	3.0
151.00313	1.3
163.11275	1.8
165.09238	1.7
173.04552	2.5
175.02469	4.8
181.10826	1.4
181.12338	19.9
181.14786	1.0
183.10258	41.9
184.10645	1.8
199.13385	12.4
201.11285	8.3
215.12842	1.5
225.11319	11.1
243.12367	100.0
244.12674	3.6
255.02975	1.8
257.03494	1.0
258.60269	0.9
267.66330	0.8
267.69452	0.8
269.04553	33.8
271.02451	2.4
272.02643	1.1
273.03043	2.7
286.67719	0.7
288.52618	0.8
300.02502	3.5
301.03082	3.6
302.03461	6.0
303.04080	1.5
303.19397	0.9
333.15515	3.1
357.15567	1.1
375.16577	52.6
376.16989	3.4
419.15588	2.0
445.07919	5.3
507.10455	7.5
507.20859	52.9
508.21155	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.8
57.91986	0.6
59.01380	31.6
61.98831	15.8
63.02398	1.0
64.83741	0.5
65.00307	0.7
69.03455	0.9
71.01372	2.3
71.05040	0.7
71.53683	1.0
72.99288	0.8
73.02940	4.9
75.00869	1.0
83.01372	0.7
85.02953	4.4
87.00877	1.6
89.02440	1.6
93.03442	1.2
95.01384	1.1
99.00897	1.4
101.02440	1.4
103.00360	1.2
107.01363	0.6
111.00891	1.8
113.02437	10.5
117.03474	1.3
125.02487	0.8
129.01932	1.7
129.05647	0.7
134.62956	0.6
137.09761	0.9
139.11288	40.6
140.11653	1.3
149.04523	2.6
151.00345	1.4
157.12224	0.6
163.11241	2.0
165.09230	1.0
168.08093	0.6
173.04510	1.8
175.02443	4.1
180.44234	0.7
181.12346	22.6
182.12628	1.0
183.10254	42.8
184.10591	1.1
191.05650	0.7
199.13412	11.4
201.11336	9.5
215.12892	2.0
216.67561	0.6
225.11301	12.2
243.12354	100.0
244.12639	3.9
255.02977	1.3
257.03760	1.0
269.04526	31.5
271.02499	2.5
272.02826	2.4
273.03055	2.6
300.02728	3.7
301.03140	3.6
302.03323	7.4
303.04019	1.4
333.15518	4.5
361.22507	0.9
375.16550	58.2
376.16885	2.6
419.15619	2.7
425.37466	0.6
445.07791	6.5
489.20313	0.8
507.10297	7.3
507.20828	57.8
508.21155	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	506.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
68.18021	3.9
70.45242	12.0
129.01883	3.5
132.97830	3.4
147.16508	3.8
149.93782	3.6
195.84230	4.1
243.14442	4.5
301.00516	4.3
510.54959	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	507.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82465	1.4
55.01859	2.9
56.64755	1.4
57.03449	4.2
58.00576	2.1
58.03802	1.8
59.01378	36.7
60.01726	1.8
60.11372	1.5
61.98835	16.7
69.03452	25.1
71.01381	40.5
71.54168	2.3
72.01715	4.0
72.99302	2.6
73.02940	12.7
79.01896	14.9
81.03445	2.7
83.01389	5.5
85.02941	17.6
86.03305	2.3
87.00885	2.3
88.98827	1.7
89.02015	1.7
89.02468	10.8
93.03465	2.0
95.01402	7.8
96.96028	3.2
97.02956	14.9
99.00886	3.6
101.02443	29.8
107.01399	34.1
108.02193	3.8
109.02926	1.9
113.02448	15.6
114.02776	1.9
119.03483	2.4
119.05021	4.0
123.00881	9.3
125.02451	35.7
133.02927	2.1
135.00873	19.1
136.01646	2.2
137.02420	2.3
143.03488	3.4
149.02405	2.0
149.04510	1.9
151.00371	49.0
152.01118	7.0
153.02008	3.6
159.02940	4.6
161.04562	12.2
162.04880	2.4
163.03986	7.5
177.01906	5.7
179.05743	2.2
215.24329	1.5
242.03384	3.6
242.05836	59.7
243.06590	30.3
269.04535	5.4
284.03238	2.0
285.04031	7.1
285.07556	3.2
339.07227	2.7
342.44522	1.7
343.28751	4.2
344.29047	6.7
345.29514	4.0
447.12915	100.0
448.13312	9.4
463.10278	6.9
506.34238	34.0
507.34915	45.2
508.35165	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	505.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76540	0.3
53.91479	0.4
55.01881	3.9
57.03447	3.2
58.00591	1.4
59.01382	21.9
61.98825	2.8
64.42849	0.4
69.03466	0.7
69.47372	0.3
71.01382	35.6
72.89375	0.4
72.99289	2.4
73.02946	14.4
75.00870	11.2
83.01389	7.5
84.02171	0.4
85.02953	20.6
86.00106	0.7
86.03282	0.4
87.00868	2.9
88.98808	1.0
89.02445	7.8
93.03470	0.7
95.01388	3.3
97.02945	0.8
99.00887	5.1
101.02445	30.6
103.00378	11.8
103.04014	0.8
111.00891	4.3
112.14136	0.3
113.02451	14.5
119.03496	2.4
121.02976	0.7
121.10233	1.1
125.02467	1.5
129.01955	1.7
131.03423	0.7
133.32054	0.3
136.56767	0.4
137.02409	0.7
141.01981	0.5
143.03503	1.4
149.04552	0.3
149.13344	0.9
157.12357	1.9
159.03014	2.7
161.04546	8.8
161.05885	0.5
169.01442	1.0
171.13953	1.0
173.04544	0.9
179.05594	2.0
185.15485	0.7
209.11902	1.0
255.02902	0.4
271.02518	0.9
300.02820	1.4
301.03418	0.6
313.27527	1.2
327.25345	0.9
333.19257	0.6
343.28531	8.5
347.20959	0.8
357.26431	5.1
445.28439	0.5
475.32803	1.3
487.33215	0.8
503.32578	0.4
504.69122	0.4
505.33997	100.0
506.34247	9.2
506.41415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98222	0.2
55.01881	2.9
57.03445	3.0
58.00603	1.2
59.01379	25.6
61.98810	0.6
68.99812	0.2
69.03468	0.7
69.49368	1.3
71.01381	43.1
72.01730	0.3
72.99316	1.7
72.99670	0.3
73.02946	12.6
75.00872	1.6
81.65598	0.2
83.01382	6.3
84.02159	0.5
85.02950	21.1
86.00093	0.6
86.03254	0.2
87.00879	1.9
88.98804	0.5
89.02444	11.1
93.03457	0.7
95.01395	4.4
95.02010	0.3
97.02946	0.9
99.00875	5.4
100.01283	0.2
101.02442	27.6
102.02777	0.4
103.00381	0.7
111.00877	3.2
113.02451	17.7
118.88866	0.2
119.03504	4.1
121.02958	6.3
121.10232	0.3
125.02435	1.0
129.01929	0.6
131.03563	0.3
141.01976	0.3
143.03476	1.3
149.04514	0.2
149.13309	0.4
157.12358	1.3
159.03001	3.2
161.04553	11.2
163.04050	0.2
171.13872	1.0
173.04536	0.9
179.05617	0.9
185.15385	0.3
186.98148	0.2
205.03468	0.3
209.11832	0.6
283.13419	0.6
284.13589	0.3
300.02652	0.3
313.24063	0.3
313.27328	0.3
333.19257	0.6
343.15570	0.3
343.28543	5.3
343.32681	0.3
344.28821	0.4
347.20715	0.3
357.26660	0.4
373.25873	1.7
475.32901	1.1
475.38959	0.2
487.32837	0.5
503.32458	0.4
504.71338	0.5
505.33887	100.0
506.34183	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	505.302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.7
59.01382	2.6
59.14759	0.3
60.99278	0.4
61.98808	1.2
69.38303	2.3
71.01380	1.7
73.02943	0.7
74.74260	0.4
75.00871	0.4
81.03439	0.5
83.01334	0.3
83.05040	1.5
85.02943	0.7
87.00874	1.9
88.98813	1.9
89.02422	0.3
93.03441	3.3
97.06569	0.6
99.00848	0.7
111.04533	3.0
113.02418	0.6
119.04951	0.4
125.02425	0.8
125.09703	1.1
127.04001	0.7
127.11277	4.1
129.01953	0.3
135.80231	0.3
137.02414	0.8
143.10782	1.8
151.00211	0.3
153.09190	0.3
155.03493	2.9
155.10793	1.8
157.12369	2.4
163.04028	0.4
168.10953	0.3
171.10271	3.7
173.03142	0.5
173.04550	9.4
185.11824	2.6
191.05626	1.5
201.11270	1.2
201.66168	0.3
203.87376	0.3
209.11787	0.9
257.08142	0.5
257.17514	1.3
271.02423	0.5
295.22568	1.7
300.02744	0.6
311.22147	1.0
313.23853	6.0
329.23282	5.2
330.23596	0.5
331.24875	100.0
332.25229	5.7
355.24896	1.2
356.24817	0.4
373.25922	6.0
374.26254	0.5
408.92358	0.3
469.18530	0.4
505.30212	34.3
506.30652	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	505.257
Annotation	Amoritin
Peak:m/z	Relative Intensity
58.62915	0.4
59.01379	2.2
70.99974	0.6
78.95900	11.8
79.95759	0.4
91.49017	0.4
96.96954	0.8
134.24333	0.3
135.72960	0.4
150.97881	0.4
152.99582	19.3
157.30594	0.3
162.89383	0.4
171.00636	1.4
184.00140	2.5
184.50346	0.5
187.96269	0.5
208.93214	0.4
220.05083	0.3
227.03296	2.5
233.22522	0.6
245.04271	1.9
248.07997	2.9
248.58153	0.5
259.20624	0.6
262.74506	0.4
275.20145	0.8
277.21710	100.0
278.22043	5.0
279.23273	1.3
280.23682	2.3
292.45688	0.3
422.35165	0.4
479.41779	0.4
505.25674	43.6
506.25900	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	505.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42386	0.5
59.01368	2.5
59.01616	0.5
61.98818	0.8
70.36442	1.6
78.95907	24.1
96.96956	2.0
98.19952	0.7
110.33569	0.5
142.77017	0.6
152.99583	42.8
171.00607	1.6
227.03218	6.1
245.04510	1.2
259.20544	0.9
277.21713	100.0
278.22021	4.4
413.20905	1.3
505.25708	84.0
506.26144	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	505.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.3
59.01385	7.6
60.70235	0.5
60.99319	0.8
61.98826	3.7
67.01895	1.7
69.03458	1.5
71.01382	3.1
71.05025	0.7
71.53853	0.7
73.02948	2.0
81.03449	0.7
83.01394	0.6
83.05032	2.5
85.02953	1.6
87.00873	4.0
88.98814	2.4
89.02428	1.8
93.03459	12.6
97.06631	0.7
99.00914	0.6
101.02449	2.0
105.01974	0.9
108.02190	0.6
109.02970	1.8
111.00858	1.8
111.04520	7.5
111.08116	0.6
112.10069	0.5
113.02433	1.1
117.03469	3.3
119.05034	23.8
120.05376	0.7
121.02953	0.6
123.04542	0.7
123.08115	1.6
125.09699	1.9
127.04015	1.6
127.11291	1.1
129.01978	0.6
137.02455	9.7
137.09697	0.5
139.11281	2.7
141.09235	0.8
145.01752	0.8
145.02953	17.6
155.03505	18.7
155.04764	1.1
155.10828	0.9
161.04639	0.7
163.04016	25.9
164.04405	0.9
169.06471	0.5
171.10310	3.9
173.04546	29.6
174.04971	1.1
178.17622	0.5
183.13899	1.5
185.11827	68.5
186.12157	2.6
189.81825	0.5
195.08243	1.0
210.93103	1.2
214.12192	0.6
215.12886	1.3
217.08598	0.6
227.12805	0.8
229.14470	0.6
239.07054	0.6
245.08127	1.2
271.02496	1.5
285.20633	0.8
300.02731	2.0
301.03445	0.6
303.12494	1.5
319.08206	17.9
327.21820	0.9
331.24667	1.5
341.16031	28.7
342.16580	0.9
343.24948	2.0
355.24921	2.1
359.17032	2.0
371.24423	1.2
373.25943	100.0
374.26196	4.0
404.14996	0.6
505.09402	1.3
505.20813	30.7
505.30194	26.8
506.21176	2.9
506.30450	1.5
512.52179	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0987
Annotation	5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide
Peak:m/z	Relative Intensity
56.55331	0.1
63.02409	0.5
65.00328	1.0
83.01379	0.4
91.01904	0.3
93.03478	0.3
98.20778	0.2
107.01389	2.0
108.02188	1.5
109.02954	0.9
119.01385	0.2
121.02954	1.2
124.01665	0.3
125.02407	0.3
135.00891	0.9
139.03996	0.2
147.00835	0.2
148.01654	1.7
149.02408	0.3
151.00366	7.9
152.00861	0.2
155.05038	0.2
159.04500	0.2
163.00380	1.8
164.01149	0.8
169.01401	0.2
174.03270	0.2
175.03946	0.2
178.98256	0.2
178.99852	3.8
183.04462	0.4
187.03972	0.4
190.99930	0.3
198.03156	0.3
199.03995	0.8
201.01912	0.3
201.05626	0.3
203.03557	0.3
211.03981	0.9
213.01936	0.2
215.03456	0.6
216.04259	0.7
226.02727	1.4
227.03487	3.0
229.01631	0.2
229.05000	0.4
230.18559	0.2
242.02194	0.2
243.02979	10.9
244.03506	0.6
245.04547	0.9
254.02271	1.7
255.02977	25.9
256.03424	1.4
257.04657	0.2
271.02466	53.8
272.02960	3.4
273.04071	0.9
283.02390	0.9
299.02020	1.4
300.02734	100.0
301.03448	29.2
302.03912	1.3
343.04654	0.5
426.17886	0.1
445.07645	0.3
463.08807	4.5
505.09857	61.6
506.10150	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	504.001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63566	0.3
59.01379	25.2
60.01719	1.6
60.98559	0.3
61.98829	100.0
64.70429	0.3
69.15910	0.5
69.16311	3.4
90.97141	0.7
129.82605	0.3
132.98184	0.6
158.03668	0.3
174.99249	5.2
175.99594	1.1
177.96741	0.8
178.98460	0.6
201.02583	2.6
202.02737	2.5
202.98778	0.9
203.02269	3.6
203.98288	0.6
204.00029	7.0
204.02655	0.8
217.00291	21.5
218.00615	6.6
219.00543	1.2
219.97748	52.8
220.97838	0.5
220.99660	1.0
239.79901	0.3
270.08530	0.4
328.70773	0.4
346.00488	0.6
346.04187	0.7
359.01508	2.1
360.01596	6.4
361.01358	6.1
361.98682	27.5
362.98990	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	504.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.5
57.87962	0.3
58.35248	0.4
59.01377	5.7
61.98498	0.4
61.98824	6.3
65.00332	0.9
67.01893	0.4
67.04847	0.3
69.03435	1.1
71.01390	0.7
81.03438	0.9
83.01392	1.3
85.02940	0.4
87.00861	1.0
89.02446	0.9
93.03433	1.5
95.01395	0.8
95.05031	0.6
97.02942	1.4
99.04539	0.4
107.01371	2.5
108.02191	1.2
109.02955	4.9
110.37101	0.3
111.00856	0.6
113.02424	0.3
117.31700	0.3
119.03500	0.3
120.02129	0.3
121.02937	1.7
123.00886	0.8
123.04520	3.1
124.01675	0.5
125.02442	34.8
126.02773	0.8
131.03481	0.3
135.00864	0.4
135.04489	0.6
136.03996	0.3
137.02438	4.3
137.09731	0.5
139.04028	1.0
140.01112	0.4
145.02913	1.6
146.03729	0.4
148.01712	1.0
149.02460	1.7
149.04504	1.7
151.00357	9.8
151.04008	2.6
152.01088	0.5
153.00653	0.3
153.01874	0.4
158.03760	0.4
159.04482	0.6
161.06059	1.2
162.03452	0.4
163.00397	2.0
164.01140	0.9
165.01932	1.4
166.99924	0.7
167.03491	0.7
168.00607	1.2
169.01414	54.9
170.01747	1.5
173.04552	0.5
175.03992	0.6
178.99858	4.3
179.03394	1.7
181.08713	0.7
183.04506	0.7
185.02371	0.4
187.04001	1.3
188.04776	0.8
191.05725	0.5
192.00610	0.4
193.01453	2.4
193.18855	0.3
197.11803	2.9
199.03954	1.0
201.05621	0.6
202.06439	0.3
203.03473	0.6
203.07150	3.0
205.05099	1.9
211.04071	0.8
213.95009	0.3
215.03510	0.6
216.04279	0.7
221.08098	0.6
226.02690	1.5
227.03488	2.9
227.07176	0.7
229.05040	0.8
231.02979	0.4
241.10762	2.2
243.02946	10.1
245.04466	1.1
245.08145	4.7
253.05090	0.8
254.02234	1.4
255.02966	26.4
259.06226	0.4
271.02460	57.7
271.05841	2.7
272.03253	1.7
273.04044	0.9
283.02496	0.9
289.07172	21.4
290.07443	0.9
299.02078	2.0
300.02731	100.0
301.03500	26.6
303.05075	1.2
331.04459	1.5
373.14948	3.4
397.09320	0.4
415.16559	0.4
440.06781	0.3
441.08231	25.4
442.08554	1.9
445.07294	0.4
463.08774	8.7
505.09866	73.8
505.18561	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	503.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80701	0.3
55.01878	3.9
57.03446	4.4
58.00601	1.7
59.01381	83.0
60.01713	0.4
61.98833	1.1
65.21058	0.4
69.03452	0.6
69.22125	0.7
69.22530	2.6
70.48319	0.4
71.01382	54.8
71.05029	0.7
72.18768	0.3
72.99306	2.2
73.02945	15.1
75.00880	1.4
76.57443	0.3
83.01391	7.8
83.01888	0.4
84.02185	0.9
85.02953	26.1
86.00100	0.6
86.03310	0.6
87.00873	3.1
87.04517	0.5
88.34126	0.3
89.02447	13.7
93.03476	0.5
95.01390	5.1
97.02972	1.3
99.00885	6.4
101.02444	33.7
102.02793	0.5
111.00876	2.7
113.02455	21.2
115.04011	0.5
119.03509	5.5
121.10237	0.7
125.02466	1.1
129.01945	1.5
131.03519	0.7
141.01898	0.6
143.03508	2.5
155.10889	0.4
159.03004	4.3
161.04558	16.6
162.04897	0.6
173.04562	0.9
179.05630	0.9
183.13927	0.5
211.16965	0.5
237.18523	0.4
281.24814	0.8
293.24832	0.6
305.24960	0.8
311.26044	0.6
329.23453	0.8
337.92136	0.4
341.26971	9.6
342.27023	0.6
400.91055	0.4
443.26532	0.8
467.30084	1.7
473.31360	1.1
501.31000	0.8
503.32285	100.0
504.21469	0.5
504.32620	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	503.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.2
58.00591	1.2
59.01378	8.7
60.99298	1.4
61.98817	1.5
62.39833	0.4
67.01897	0.4
69.03470	0.5
69.23696	3.6
70.39041	0.4
71.01381	2.9
73.02956	2.0
75.00880	0.7
81.03445	0.6
83.01374	0.8
83.05031	1.4
85.02951	2.8
87.00865	2.1
88.98804	9.0
89.02448	1.6
92.13394	0.4
93.03457	4.7
95.01407	0.4
96.37132	0.4
96.96031	0.5
98.19906	0.6
99.00872	0.8
101.02437	2.5
109.03006	0.4
109.98418	0.5
111.04520	5.3
113.02473	1.2
125.02431	2.9
125.06013	0.5
125.09703	4.5
127.04017	0.6
127.11274	7.7
129.01976	0.6
137.02409	1.0
137.09692	0.8
139.11284	1.4
149.04567	0.8
153.09225	0.5
155.03503	5.7
155.10762	3.0
157.12331	0.7
161.04562	0.6
165.09195	3.6
167.03516	0.7
171.10260	7.9
173.04533	14.7
181.33911	0.4
183.10268	1.1
191.05620	2.1
191.07050	0.4
199.09731	2.2
201.11314	55.7
202.11644	1.7
209.08205	1.6
226.42119	0.4
236.97142	0.4
256.64682	0.5
263.20297	0.5
275.20200	1.6
293.21262	4.0
306.07629	0.7
311.22302	5.5
327.21994	0.6
329.23303	100.0
330.23627	5.9
371.24292	1.7
399.23727	0.8
413.14511	1.2
417.25034	2.8
443.13330	0.5
459.26007	1.7
503.28592	49.0
504.28986	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	503.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.2
58.00591	1.2
59.01378	8.7
60.99298	1.4
61.98817	1.5
62.39833	0.4
67.01897	0.4
69.03470	0.5
69.23696	3.6
70.39041	0.4
71.01381	2.9
73.02956	2.0
75.00880	0.7
81.03445	0.6
83.01374	0.8
83.05031	1.4
85.02951	2.8
87.00865	2.1
88.98804	9.0
89.02448	1.6
92.13394	0.4
93.03457	4.7
95.01407	0.4
96.37132	0.4
96.96031	0.5
98.19906	0.6
99.00872	0.8
101.02437	2.5
109.03006	0.4
109.98418	0.5
111.04520	5.3
113.02473	1.2
125.02431	2.9
125.06013	0.5
125.09703	4.5
127.04017	0.6
127.11274	7.7
129.01976	0.6
137.02409	1.0
137.09692	0.8
139.11284	1.4
149.04567	0.8
153.09225	0.5
155.03503	5.7
155.10762	3.0
157.12331	0.7
161.04562	0.6
165.09195	3.6
167.03516	0.7
171.10260	7.9
173.04533	14.7
181.33911	0.4
183.10268	1.1
191.05620	2.1
191.07050	0.4
199.09731	2.2
201.11314	55.7
202.11644	1.7
209.08205	1.6
226.42119	0.4
236.97142	0.4
256.64682	0.5
263.20297	0.5
275.20200	1.6
293.21262	4.0
306.07629	0.7
311.22302	5.5
327.21994	0.6
329.23303	100.0
330.23627	5.9
371.24292	1.7
399.23727	0.8
413.14511	1.2
417.25034	2.8
443.13330	0.5
459.26007	1.7
503.28592	49.0
504.28986	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	503.25
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65113	1.1
57.03448	3.5
59.01379	100.0
60.07802	1.0
61.98824	3.1
62.29799	1.0
69.30061	2.0
69.30465	6.4
71.01382	11.8
73.02966	5.9
74.15137	1.0
75.00876	3.6
75.57395	0.9
83.01395	1.3
85.02966	4.6
87.00883	2.5
88.98795	7.4
89.02452	3.1
93.03453	2.1
95.01415	1.4
101.02442	4.2
103.00381	3.6
113.02424	8.3
119.03475	1.7
125.02463	2.0
127.00436	1.1
137.02518	2.7
160.57141	1.1
161.04604	3.8
163.04062	1.6
181.12320	1.4
183.10216	1.4
225.11258	2.0
238.03336	1.1
265.64145	1.1
281.13901	6.3
305.13974	1.3
329.23291	2.6
399.23856	14.4
417.24976	6.0
458.86539	1.2
459.26205	1.8
501.49139	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.25
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17274	1.5
57.03435	6.0
59.01380	99.4
60.99297	3.1
61.98829	7.5
62.83878	1.8
64.01598	1.6
69.20643	13.8
69.21056	3.6
71.01382	24.8
73.02945	10.4
75.00880	3.2
83.01385	3.5
83.04989	1.9
85.02960	14.6
87.00869	8.6
88.98802	23.4
89.02466	5.0
93.03453	7.2
95.01443	2.3
97.02907	2.2
97.06567	1.6
99.00880	3.9
101.02438	20.7
111.04510	5.0
113.02453	9.4
123.79503	1.8
125.02454	7.6
125.09706	6.0
127.11272	6.7
128.03583	2.1
137.43269	1.7
139.11264	1.5
143.04642	3.0
144.76749	1.9
149.73483	1.7
155.03491	5.4
155.10799	4.3
161.04552	6.4
163.03938	1.8
165.09236	4.9
171.10213	8.0
173.04568	14.3
174.04886	1.8
188.66130	1.9
191.05573	3.1
199.09747	2.1
199.96713	1.6
201.09572	3.2
201.11322	46.5
209.08072	2.0
219.86163	1.8
227.07083	3.7
255.19267	2.1
293.21143	3.0
306.07574	2.3
311.22293	6.4
327.21692	2.1
328.22086	4.8
329.23291	100.0
330.23578	6.3
362.75803	1.9
371.24313	11.4
382.56638	1.8
399.23859	11.8
417.24908	37.1
418.25040	3.3
459.25989	25.7
503.28448	51.1
504.28995	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	503.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.9
57.95199	0.8
59.01380	50.2
60.01707	4.8
60.99291	1.5
61.01796	3.0
61.98833	4.1
67.01883	4.0
67.81449	0.9
69.03453	13.5
70.65151	1.9
71.01383	6.3
71.05019	2.4
73.02946	2.5
83.05022	5.2
83.36597	0.8
85.02966	3.7
87.00880	4.0
88.98820	4.1
89.02426	1.5
93.03461	21.1
97.06618	0.7
101.02433	2.8
109.02955	1.1
111.00884	1.3
111.04520	20.2
111.08165	2.8
113.02434	2.2
113.06094	2.7
116.92082	1.2
116.92858	10.0
117.03468	8.2
119.05028	46.6
120.05386	1.3
123.08192	1.6
127.04003	2.8
129.01949	1.0
137.02448	20.6
139.11295	22.4
145.02951	33.2
146.03302	1.1
155.03500	42.0
156.03775	1.9
161.04535	1.5
163.04008	51.2
164.04326	2.1
173.04547	73.3
174.04832	0.8
183.10257	100.0
184.10612	2.5
191.05615	1.3
195.08102	1.6
225.80675	0.8
239.07259	1.0
253.16362	0.9
283.06186	0.9
311.22427	1.2
315.18362	1.1
319.08206	33.2
319.22482	0.8
320.08673	2.7
329.23288	1.9
337.09320	1.9
339.14471	55.8
340.14804	3.1
357.15616	9.8
363.72394	0.9
371.24347	6.2
373.26019	2.7
461.23709	4.0
503.19241	60.7
503.27802	4.6
504.19690	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	503.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
59.01379	6.8
59.94131	0.8
61.98827	2.7
69.03465	1.3
69.39801	5.9
71.01385	3.4
73.02955	2.2
75.00872	2.1
81.03455	4.7
83.01383	5.7
85.02959	2.0
87.00896	2.7
88.98779	1.0
89.02457	1.6
90.98598	19.6
93.03430	3.9
95.01402	1.8
95.05003	4.0
97.02956	4.3
99.00896	0.8
99.08151	1.3
101.02438	1.4
101.06094	3.9
104.62311	0.9
107.05026	1.4
108.02189	1.3
109.02954	4.0
109.06615	1.3
111.00922	1.3
111.04517	3.3
113.02435	3.5
113.06020	1.1
119.05051	2.5
121.02972	1.9
123.00911	0.9
123.04492	5.2
123.08118	1.2
125.02449	11.8
125.06081	12.3
135.04504	1.7
136.05257	0.9
137.02431	4.4
137.06117	1.8
138.03194	0.9
139.04010	6.6
145.02991	1.5
147.04457	1.4
149.02493	1.3
151.03998	1.7
153.05519	0.9
155.03548	1.5
162.03242	1.0
163.03996	2.9
163.07614	1.4
165.01926	2.7
165.05515	1.3
165.09200	7.7
166.02757	1.1
166.05148	1.2
167.03490	17.2
167.05573	1.4
173.04607	1.5
175.49359	0.8
177.01932	1.4
177.09172	2.7
178.02730	1.0
179.03510	2.6
179.10809	4.5
181.04987	1.0
181.08684	4.1
183.10280	1.3
189.09152	1.1
191.03552	1.3
191.05585	1.0
191.10706	1.5
193.08713	0.9
193.12257	0.8
195.06599	0.7
197.04582	4.1
198.54015	0.7
203.10756	1.1
205.08681	1.9
207.06573	1.4
207.10292	1.7
209.04593	8.9
209.08138	12.7
219.10339	1.6
221.08090	4.7
222.08807	1.2
223.09717	2.0
231.10168	1.1
235.09676	3.8
239.05553	4.2
239.09290	1.1
247.09804	1.3
249.11382	1.8
251.09238	25.9
252.09537	1.5
261.07831	1.3
263.09207	10.3
265.10815	1.8
275.09311	1.9
277.10846	2.2
281.10330	10.1
290.08078	1.9
293.10312	100.0
294.10638	6.0
299.09244	1.8
305.10315	5.4
321.09561	1.0
323.11340	82.9
324.11713	4.8
329.22418	1.5
335.11304	3.5
339.44113	0.8
353.12421	23.7
354.12607	1.3
365.12341	9.9
366.13126	0.9
383.13455	15.0
395.13452	8.4
413.14594	11.8
414.14404	1.1
425.14453	3.6
467.15573	0.9
485.16580	2.0
503.17676	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33485	0.8
57.03442	1.0
59.01387	4.1
60.99295	1.1
69.03470	1.3
69.27714	6.0
71.01379	1.8
73.02946	2.0
75.00854	0.9
80.22471	0.9
81.03454	5.2
83.01392	6.2
85.02951	0.8
87.00844	1.2
88.98810	5.0
92.21925	0.9
93.03431	2.2
95.01381	1.5
95.05029	3.0
97.02938	5.0
99.08155	1.9
101.06075	3.3
107.05054	1.3
108.02174	1.6
109.02955	2.8
111.00881	1.1
111.04531	2.1
113.02435	2.0
119.05045	1.3
119.58687	0.9
121.02921	1.8
123.00830	1.5
123.04535	4.9
123.08111	0.8
125.02441	13.8
125.06080	12.8
135.04523	2.0
137.02437	4.9
137.06108	1.0
137.09738	1.2
139.04025	6.6
141.09221	1.4
149.02489	1.3
151.03993	2.7
153.05507	1.0
155.03481	1.2
163.03923	1.4
164.08478	1.1
165.01950	1.7
165.05508	1.3
165.09201	9.7
166.05107	0.9
167.03500	15.3
167.07091	1.2
173.41774	0.8
177.09174	2.0
179.03516	2.1
179.10788	4.8
181.08725	4.5
183.10187	1.4
191.03477	0.9
191.10721	0.9
193.04970	1.0
197.04552	5.3
205.08688	2.6
207.06638	2.6
207.10274	2.5
209.04535	9.5
209.08139	12.9
219.10201	1.5
221.04550	1.4
221.08136	5.1
222.08900	1.1
223.09669	2.0
227.05531	0.9
231.10194	0.9
233.08125	2.5
235.09697	3.6
238.21127	0.9
239.05540	5.1
247.09720	1.5
249.11182	1.0
251.09236	25.5
261.07761	1.2
263.09247	11.4
265.10730	0.9
269.06525	1.0
275.09229	1.6
277.10776	3.0
281.10205	11.4
290.07941	1.4
293.10294	100.0
294.10718	5.2
305.10196	6.6
307.11765	1.1
323.11334	87.2
324.11703	3.6
335.11365	4.4
347.11276	1.1
353.12390	27.3
354.12827	1.7
365.12289	9.7
366.12784	1.3
383.13446	14.2
384.13577	1.1
395.13315	9.2
413.14499	13.3
414.14716	1.1
425.14532	4.4
443.15314	1.6
485.16400	3.1
503.17706	18.4
504.18015	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	503.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57050	1.0
59.01388	5.4
59.42792	1.0
69.03442	1.3
69.68893	4.4
69.69299	1.7
69.76077	0.9
69.77016	1.4
71.01366	2.7
73.02954	2.0
81.03454	5.0
83.01370	5.1
83.05018	1.3
85.02918	1.4
87.00874	1.9
88.98810	13.3
90.40585	0.9
93.03453	2.1
95.05008	2.4
97.02945	3.8
98.20606	1.9
99.08179	1.9
101.06075	3.2
107.04987	1.5
109.02936	1.5
111.00822	1.2
111.04533	1.3
113.02467	3.9
119.05006	1.7
120.99626	1.2
121.02959	1.3
123.00861	1.2
123.04545	6.2
125.02474	9.7
125.06081	10.2
127.07627	1.0
131.03514	1.5
135.04521	1.5
135.08142	1.4
137.02449	4.9
137.06017	1.0
137.09680	1.7
139.03992	5.7
140.41376	1.1
141.09097	1.1
149.02444	1.7
151.03967	1.9
155.03448	1.5
161.09752	1.2
163.03926	1.2
163.07634	1.3
165.01947	1.5
165.05515	2.1
165.09207	9.7
167.03488	16.9
167.07021	1.1
173.04514	1.6
177.09180	2.2
179.03462	1.3
179.10764	4.5
181.08684	4.0
181.12367	1.0
183.10214	2.6
190.02711	1.0
193.04980	1.4
197.04590	5.3
205.08733	2.5
207.06650	2.5
207.10263	3.3
209.04541	8.0
209.08136	15.4
217.08554	1.0
219.10194	2.1
221.08177	4.6
221.11893	1.2
223.09718	1.7
233.08162	1.7
235.09682	2.9
239.05617	5.2
249.11369	1.4
251.09224	22.0
261.07794	1.0
263.09229	10.7
265.10843	1.4
268.91003	0.9
277.10846	2.5
281.10312	9.7
290.07892	1.4
293.10312	100.0
294.10629	4.8
305.07315	1.0
305.10223	6.0
307.63547	1.0
323.11343	86.6
324.11743	5.6
335.11420	3.0
347.11371	1.6
353.12433	26.7
365.12369	9.3
377.12518	1.3
383.13513	13.3
384.13626	1.3
395.13483	8.3
413.14471	15.1
414.14639	1.4
425.14420	3.5
449.00943	1.0
485.16785	1.6
503.17737	18.3
504.17734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31718	0.8
54.17133	1.0
55.58993	0.8
57.03461	1.0
59.01380	43.7
68.56313	0.8
69.46598	4.9
69.47000	1.6
71.01383	9.1
73.02962	1.3
75.00904	1.1
80.31860	0.8
83.01409	0.9
85.02943	5.8
87.00859	1.7
89.02451	8.7
93.03464	1.2
95.01395	0.9
96.96015	1.6
101.02425	6.3
102.55966	0.8
111.00890	1.4
111.04533	1.1
113.02435	5.4
119.03500	3.3
119.05051	1.4
125.02467	1.4
131.03479	0.9
139.78223	0.9
149.04520	1.0
161.04472	1.0
163.03969	1.3
163.11292	28.6
173.04498	1.4
182.52617	1.0
191.01968	1.3
191.05492	0.9
211.35410	0.9
228.79655	0.9
324.96939	0.9
387.16583	100.0
388.16956	5.5
501.19608	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11098	0.5
52.86475	0.5
55.01860	0.8
57.03444	0.8
59.01381	44.8
68.17115	0.5
68.93333	0.5
69.03431	0.6
69.20454	4.1
69.20872	1.2
71.01382	10.6
72.99306	0.6
73.02937	1.3
83.01385	1.0
85.02947	3.4
87.00867	1.0
89.02448	8.6
93.03459	1.9
95.01374	0.9
98.20621	1.0
99.00855	0.5
101.02434	6.9
113.02441	7.2
119.03493	3.5
119.05009	1.3
130.08711	0.6
131.03479	0.8
143.03488	0.6
147.99385	0.6
149.04561	4.4
150.99164	0.4
163.04042	0.9
163.11275	4.9
171.10155	0.9
173.04518	2.0
181.33513	0.5
191.02000	0.5
191.05600	3.2
207.10265	7.7
265.18250	1.0
283.19110	1.0
300.02206	0.5
327.08719	0.6
327.21796	3.9
328.68503	0.5
387.16595	100.0
388.17014	6.5
459.57712	0.5
501.20459	0.8
501.27289	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	501.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59845	0.5
57.03445	2.8
59.01385	9.0
61.98829	2.7
69.24385	6.0
71.01379	9.5
72.99299	1.2
73.02972	3.3
81.03482	0.7
83.01391	2.1
85.02952	7.7
87.00876	2.3
89.02448	3.2
93.03460	14.5
95.01421	1.7
97.02944	1.0
98.31680	0.7
99.00896	1.8
101.02468	4.3
101.05379	0.8
101.05534	0.4
101.06081	24.3
108.02176	52.5
109.02982	9.1
111.00911	1.3
111.04551	1.4
113.02445	4.3
118.08378	0.6
119.03487	0.6
119.05019	3.5
120.05423	0.8
121.02885	0.6
121.06555	0.7
123.00892	1.0
125.02456	2.7
129.01933	0.8
133.02928	0.7
135.04619	1.0
137.02454	1.3
143.03497	0.6
147.03001	1.1
149.04544	1.9
151.00356	1.6
151.04051	0.9
151.11363	0.7
152.01157	100.0
153.01781	2.9
155.03465	0.9
161.04570	6.4
163.04018	2.8
165.05568	0.9
173.04585	4.3
177.01880	0.8
179.10725	1.0
191.01987	1.5
191.05653	1.3
197.15424	0.7
225.14998	3.1
233.15300	0.8
237.18745	0.9
244.74231	0.7
251.16515	1.0
255.08664	0.7
265.18015	3.5
283.19180	9.9
285.03088	0.8
285.06137	1.7
291.19431	1.1
301.03583	1.1
303.05011	0.8
305.32422	0.6
309.20517	0.8
325.03558	2.2
327.18240	0.7
327.21756	16.6
328.22266	0.8
355.06497	0.7
387.12900	18.5
399.09332	13.1
463.11270	2.5
501.16110	96.7
501.26898	10.9
502.16577	7.6
502.27261	1.0
526.63086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	56.6
59.01379	100.0
61.98796	4.7
67.01862	2.6
69.29137	8.7
71.01382	11.5
73.02954	6.7
81.03436	1.4
83.01380	9.7
83.05019	2.0
85.02944	9.0
87.00835	4.6
89.02448	9.0
89.16782	1.2
93.03455	18.1
99.00889	2.3
99.04468	1.1
101.02444	17.0
103.00323	3.3
109.02911	1.5
111.04553	5.8
113.02397	4.5
119.03471	4.2
119.05025	3.3
125.02460	13.0
126.90366	1.6
126.99535	2.0
127.00367	29.0
128.03519	1.2
128.90173	29.0
128.94104	1.4
129.01056	1.3
129.01933	10.1
131.03421	3.9
135.11784	12.2
137.02390	2.9
145.01422	11.6
149.04561	31.5
151.00282	3.1
155.03445	4.5
161.09610	2.8
163.02495	17.6
163.03851	3.0
165.09113	5.0
166.05032	2.9
167.03421	3.7
173.04562	18.3
179.10773	69.4
180.11092	2.7
191.05615	7.3
201.11238	1.7
207.13945	1.1
209.06223	1.5
209.08173	28.0
210.08501	2.7
223.09750	31.8
223.13133	2.4
225.14886	6.1
225.29404	1.2
233.08090	2.2
237.05417	1.5
237.18494	1.5
251.09174	1.8
251.16359	1.4
254.05714	1.6
255.06572	17.7
265.18121	5.8
267.12259	1.5
273.18454	1.4
283.19073	13.1
291.19388	3.1
301.03415	2.1
302.03244	1.4
309.20572	2.7
327.21750	43.3
337.12698	1.4
355.13980	48.9
356.14182	2.9
369.11685	9.0
369.22525	1.8
371.13162	5.2
415.50488	1.1
421.12534	3.8
465.11426	3.3
471.19684	1.6
483.14749	2.0
501.15695	58.6
501.27280	34.3
502.16025	5.2
502.27173	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
59.01378	2.7
61.98825	1.0
71.01381	1.2
71.05020	3.5
71.51418	1.6
85.02959	1.6
87.00864	2.2
87.04511	3.1
90.14700	0.9
96.96017	1.0
113.02479	1.5
115.04013	54.1
118.96618	1.0
125.02459	1.0
133.97316	1.0
147.02983	3.0
157.01373	1.4
158.04596	2.0
159.02985	100.0
160.03304	2.0
173.04549	2.1
183.24663	1.0
191.05612	1.6
217.00293	1.7
258.60977	1.0
342.96603	1.5
406.08768	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64941	1.4
53.71350	1.7
55.01897	1.5
57.03452	3.2
59.01378	90.3
61.02200	1.7
61.98834	2.9
69.30511	13.9
71.01016	2.3
71.01384	43.7
71.75108	1.6
72.99307	2.4
73.02947	43.6
83.01385	8.7
83.97533	2.2
85.02957	17.0
87.00876	3.7
88.04060	1.9
89.02447	35.8
93.03455	4.0
95.01390	4.0
96.96016	4.1
99.00880	100.0
101.02448	25.9
101.53118	1.8
111.04475	2.0
113.02448	21.0
119.03465	5.0
119.04974	3.4
125.02402	4.8
128.85146	1.8
130.08788	2.7
131.03514	14.7
132.03027	6.7
143.03485	5.0
149.04550	39.9
155.03462	3.7
161.04564	14.0
163.04007	4.2
168.10114	1.6
173.04562	7.0
184.95848	2.0
191.01904	2.0
191.05605	47.0
192.06024	1.6
203.05592	24.0
233.06575	5.7
273.18637	1.8
283.19186	3.2
327.21646	8.4
387.16528	6.3
415.16061	7.5
457.17123	40.3
458.17459	3.7
490.24728	2.0
501.26758	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	501.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75307	0.4
57.03452	0.8
58.96534	0.5
59.01381	4.8
60.21469	0.4
60.45071	0.4
61.98830	2.2
67.01900	0.8
68.14546	0.5
68.99845	0.4
69.03462	0.5
69.81184	0.7
69.81610	1.7
71.01370	2.0
72.99277	0.4
73.02943	2.0
83.01381	0.9
85.02949	13.6
87.00887	3.2
89.02453	1.5
93.03461	11.3
96.95992	0.9
96.99307	1.3
98.20681	0.4
101.02437	1.5
101.15837	0.5
109.02956	1.1
111.00874	1.0
111.04511	1.2
113.02430	1.1
117.03477	0.5
119.05026	13.1
123.04516	1.0
125.02428	1.9
127.04025	2.4
129.01907	0.4
131.05020	1.2
133.02962	1.2
137.02452	1.1
143.05014	5.0
144.05328	0.5
145.02913	1.0
145.06543	0.9
147.02963	0.5
149.04570	1.8
150.03227	2.2
151.04015	0.6
155.03522	0.8
163.04007	10.0
165.05569	2.5
167.03468	1.9
171.04555	0.7
173.04524	6.5
191.05608	100.0
192.05965	1.9
209.03021	0.6
211.07654	2.0
235.07599	0.7
237.09227	2.2
260.11084	0.5
265.08704	6.7
279.12433	0.7
283.09741	1.7
303.05203	0.6
309.07571	2.0
320.56030	0.4
327.08725	43.4
328.09122	2.2
329.08810	0.8
465.10458	1.2
501.13989	1.3
501.19931	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	501.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01126	0.4
58.45701	0.4
58.96759	0.4
59.01379	77.9
61.95796	0.4
61.98826	0.6
69.87817	1.5
74.37293	0.3
89.19576	0.4
90.97160	1.1
98.19922	0.5
111.84337	0.4
132.98170	1.2
155.85452	0.4
157.03555	3.6
157.08136	0.4
159.01514	1.1
174.99242	22.8
185.22932	0.4
201.02550	35.3
202.02698	1.5
217.00282	100.0
218.00534	2.1
244.39209	0.4
343.03592	3.1
359.01453	72.2
360.01697	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	500.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	16.9
59.01371	0.3
69.03447	0.8
69.44267	0.6
69.44681	0.8
72.99319	0.3
80.79861	0.2
82.02969	0.4
85.02941	0.8
86.06119	1.7
87.74255	0.2
96.04572	1.0
97.02966	0.7
98.19936	0.4
112.04044	2.3
113.02490	1.0
114.05610	2.1
115.04018	0.6
126.01986	1.1
141.01938	0.4
157.01433	1.4
157.35223	0.2
158.04587	100.0
159.02985	3.8
159.04932	2.0
194.83041	0.2
201.77512	0.2
222.26265	0.2
260.55893	0.2
341.10803	0.3
342.11234	0.5
448.11978	0.2
451.36148	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02728	0.3
57.09603	0.3
57.56215	0.3
59.01380	100.0
60.01727	0.8
61.98833	5.3
70.54247	1.0
71.01382	1.8
72.38061	0.3
73.02959	0.5
75.98434	0.3
82.95438	0.4
83.01391	0.4
85.02969	1.1
89.02452	0.9
89.59808	0.3
93.03442	0.4
95.01434	0.3
96.96038	1.4
99.00891	0.7
99.50240	0.3
101.02445	1.5
109.02937	0.4
113.02466	0.8
119.05093	0.4
123.04548	0.4
125.02471	1.2
137.02490	1.2
139.04051	0.4
158.18295	0.3
161.04546	0.6
163.04095	0.4
165.01964	0.9
173.04575	0.7
198.73190	0.3
204.04474	0.3
249.97638	0.3
278.89450	0.3
300.02817	0.3
325.20337	0.7
397.22406	0.6
490.83517	0.3
499.23996	1.2
506.42685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24119	0.4
57.03443	0.7
59.01381	100.0
60.01720	0.7
61.98832	6.1
68.99557	2.8
69.03468	0.5
69.30684	0.3
69.60038	0.3
70.81507	0.8
70.81883	0.8
71.01392	2.9
73.02950	1.3
79.23233	0.4
81.25923	0.3
82.51067	0.3
83.01414	0.8
85.02947	1.7
87.00919	0.7
89.02467	1.1
93.03472	1.4
95.01403	0.8
96.96037	0.6
99.00878	0.8
101.02452	1.9
108.02176	3.7
109.02966	4.6
112.98563	3.9
113.02480	1.6
119.03545	0.5
119.05050	0.6
121.03041	0.4
123.00931	0.6
125.02450	2.8
126.02882	0.4
135.04562	1.0
136.95247	0.4
137.02444	1.9
138.03239	0.5
143.03578	0.5
149.02577	0.4
149.04584	0.4
149.99586	0.6
161.02489	0.7
161.04601	1.0
163.04076	0.8
165.01935	1.4
166.02673	0.6
167.03462	0.6
168.00656	1.3
170.74777	0.4
173.04532	1.1
180.78569	0.4
191.05614	0.6
197.12022	0.4
206.51643	0.4
223.09679	0.4
223.13570	0.4
234.07301	0.4
253.07172	3.9
285.04404	0.4
313.05914	0.4
313.09460	0.7
325.20163	0.7
376.50922	0.3
481.18961	0.5
499.18808	2.0
499.25406	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92070	0.4
54.21730	0.4
57.03461	0.6
59.01379	100.0
61.98833	8.8
63.82980	0.4
67.44590	0.5
69.73348	1.7
69.73756	1.0
71.01368	2.5
73.02945	1.1
80.91686	0.5
83.01411	0.6
85.02968	1.9
87.00920	0.9
89.02453	1.6
93.03491	1.2
96.96010	0.5
97.02976	0.5
98.19887	0.6
101.02454	1.1
111.04539	0.5
113.02472	1.8
119.03535	0.6
119.05080	1.0
124.01691	0.9
125.02467	3.8
135.03000	0.6
135.08162	0.6
137.02519	0.8
143.04501	0.5
148.05342	1.1
149.04735	0.5
149.99640	0.9
161.03023	0.4
161.04507	0.9
163.04031	1.3
163.07661	2.2
165.12914	1.0
168.00690	1.0
169.01384	2.7
173.04601	2.2
183.13892	18.0
190.54066	0.5
209.12007	0.6
223.13467	0.9
227.12918	0.8
241.53989	0.5
246.81871	0.5
289.18198	1.0
301.16559	19.8
302.17102	0.8
307.19275	1.0
325.20160	0.9
367.21603	1.0
391.22742	0.5
397.22519	1.4
439.23407	1.4
457.17706	0.8
463.09106	0.6
499.17938	6.0
499.25613	2.6
505.93320	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2338
Annotation	Heteroclitin A
Peak:m/z	Relative Intensity
55.41110	0.4
57.03436	1.0
57.86266	0.4
59.01377	11.4
61.98829	3.3
65.06980	0.4
65.28477	0.4
69.03459	0.5
71.01375	0.8
73.02957	0.5
81.03469	1.1
83.01374	1.5
83.05017	1.5
89.02460	0.4
93.03465	1.0
95.01371	1.3
95.05036	0.9
97.02950	3.0
99.00903	0.4
101.02460	0.5
108.02158	1.0
109.02949	6.6
111.04517	1.1
121.02935	1.9
122.03777	0.5
123.00877	2.5
124.01653	8.7
125.02443	16.8
127.03999	2.7
129.62854	0.4
131.05042	0.5
136.01657	1.6
137.02438	15.1
138.03230	22.9
139.04015	11.0
139.07642	1.1
149.02484	0.5
149.06064	0.9
150.03197	1.5
151.04037	1.1
155.03442	0.6
159.04587	0.8
161.02420	1.9
162.03117	0.7
163.00374	0.6
163.04001	0.9
163.65512	0.4
164.01157	5.6
165.01920	27.3
166.02519	0.9
167.03488	7.0
170.02199	3.7
173.05988	0.6
175.04074	2.3
176.04707	0.5
177.01903	3.2
177.05568	2.2
178.02693	1.6
179.03493	4.6
181.05083	0.5
201.05556	0.8
203.03415	2.1
204.04115	0.8
205.05026	1.8
217.04994	0.9
218.05775	1.3
219.06610	7.5
221.04521	7.2
247.02608	0.8
260.06888	1.0
263.12851	0.6
277.18033	0.8
304.05856	1.3
319.19131	6.2
331.19125	4.4
337.23923	0.6
359.18637	6.9
373.20193	3.9
389.28976	0.5
455.24426	4.3
455.33978	2.0
499.23373	100.0
500.23727	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	499.2341
Annotation	Heteroclitin A
Peak:m/z	Relative Intensity
57.02413	0.4
57.03448	1.5
59.01381	25.6
61.98836	4.0
62.23948	0.5
67.01888	0.4
67.02454	0.4
69.03466	0.5
71.01383	1.3
71.53648	0.5
73.02934	0.7
81.03468	1.0
83.01401	1.6
85.02966	0.7
89.02444	0.5
93.03465	1.0
95.01396	1.6
95.05027	1.1
96.96023	0.6
97.02927	2.1
99.00874	0.6
101.02439	1.2
108.02164	1.3
109.02953	7.4
111.04541	1.5
112.45844	0.5
113.02441	1.0
116.92819	0.4
121.02991	1.7
122.03716	0.5
122.60775	0.4
123.00890	3.4
123.04496	0.6
124.01675	8.7
125.02454	17.6
126.02812	0.4
128.30067	0.4
135.04547	0.6
136.01680	1.4
137.02446	15.7
138.03236	18.7
139.04027	8.9
140.01134	0.6
141.69449	0.4
147.04607	0.5
149.02475	0.7
149.06070	1.2
150.03249	2.1
151.04021	1.0
151.77913	0.4
159.04515	0.5
161.02460	1.7
162.03171	0.9
163.00363	1.0
164.01152	4.6
165.01932	23.9
166.02509	0.9
167.02180	0.6
167.03514	7.2
170.02176	3.5
173.04620	0.6
173.06125	0.7
175.03934	2.2
176.04659	0.6
177.01932	2.9
177.05585	2.5
178.02708	1.7
179.03506	5.9
183.73146	0.4
191.03520	0.5
191.05556	0.5
201.05568	0.7
203.03438	2.5
204.04198	0.8
205.05075	1.1
217.05035	1.0
218.05841	0.9
219.06635	7.7
221.04535	6.4
229.86121	0.4
247.02466	0.6
260.06857	1.3
275.20221	0.5
277.18106	0.6
304.05811	1.1
312.88498	0.4
315.19595	0.7
319.19092	5.8
325.20193	1.2
331.19052	4.2
333.20596	0.5
359.18527	7.4
373.20139	4.0
455.24435	5.2
456.24603	0.6
499.23431	100.0
500.23776	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	499.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	13.7
59.01376	22.2
61.98828	8.9
69.03463	1.9
69.24916	1.6
69.25323	5.9
69.67958	0.7
71.01405	1.3
76.37902	0.7
81.03446	4.8
83.01382	10.9
83.05038	1.8
84.81590	0.8
85.02974	0.8
85.15704	1.0
93.03459	4.0
95.05032	3.7
97.02968	4.3
98.20614	1.1
101.02434	1.5
105.03498	1.2
108.02240	0.9
109.02947	25.6
111.00906	2.7
111.08153	1.5
113.02502	0.9
117.03519	1.0
121.02961	4.1
122.03767	0.9
123.04533	14.7
125.02447	100.0
126.02802	1.7
127.04002	2.7
133.02963	1.5
135.04510	3.2
137.02444	86.8
138.02950	1.4
139.04002	3.9
139.07666	1.9
145.02951	19.1
146.03757	3.7
147.04543	0.8
149.02429	9.2
150.03188	3.2
151.04019	10.9
159.04532	11.8
160.05226	1.1
161.02490	4.5
161.06073	11.1
161.99635	0.8
162.03247	1.4
162.06427	1.1
163.03973	1.4
164.01161	2.7
165.01891	6.0
165.12843	13.0
167.03467	1.6
167.04973	0.7
173.06068	1.2
174.03185	1.1
175.03984	2.9
175.07634	2.1
179.03487	3.3
183.04550	2.3
183.13899	49.5
184.14142	1.2
185.06085	6.5
187.04018	10.8
188.04767	3.5
199.07518	0.9
201.05565	5.8
202.06355	3.3
203.07126	21.2
205.05049	5.5
209.06017	1.8
211.03940	1.7
212.04903	0.8
213.01906	1.3
219.17496	2.3
221.08194	2.3
225.05553	2.1
227.03638	1.0
227.07143	7.9
227.12886	62.8
228.13184	2.1
229.05087	3.7
230.02231	1.5
230.05716	1.4
235.04092	1.0
243.06528	0.9
244.07713	0.8
245.08189	16.8
246.08548	1.2
247.06052	1.3
247.16977	1.0
253.05032	10.5
261.18579	1.0
271.06104	43.2
272.06461	2.3
287.05606	1.0
288.06323	1.1
289.07175	98.8
290.07404	5.5
293.17227	1.0
325.17996	1.0
331.15356	2.2
349.16559	12.0
353.17484	1.4
354.18427	0.8
361.16583	8.2
369.20700	9.7
395.18674	2.1
411.21710	9.1
412.21826	1.2
437.19708	8.7
438.19720	0.9
455.20731	27.3
455.33578	2.8
456.20938	2.3
468.41061	0.8
481.18585	2.3
499.19568	29.2
499.30899	1.1
500.19919	3.6
502.20673	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51274	0.9
59.01381	100.0
61.98830	22.4
65.82308	0.8
66.79505	0.9
71.01375	5.5
71.53551	1.6
73.02917	1.1
80.91678	2.5
83.01421	1.0
83.91563	0.9
85.02951	4.1
89.02464	3.3
89.41660	1.0
93.03469	2.4
99.04510	1.2
101.02440	1.9
111.04442	1.0
111.65765	0.8
113.02446	1.9
117.12117	0.8
118.82307	0.9
119.05019	2.2
125.02436	3.0
126.02749	0.8
148.05257	1.1
149.04494	1.0
163.03996	2.5
163.07608	1.9
165.12843	3.9
168.00624	0.8
169.01364	1.7
173.04456	1.5
183.13895	74.3
184.14166	2.0
200.52429	0.9
209.11804	2.4
227.12880	3.9
248.88855	0.9
301.03537	1.2
301.16577	87.2
302.16858	4.0
302.90060	1.1
397.21808	0.9
439.23697	1.2
463.08835	1.2
499.18472	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	499.1823
Annotation	Rolapitant
Peak:m/z	Relative Intensity
57.03444	1.5
57.11083	0.5
59.01382	24.0
61.98832	16.7
69.03459	2.3
71.01382	3.5
71.53705	0.7
73.02943	0.8
75.00872	0.9
81.03461	1.0
83.01389	0.7
83.05013	0.6
85.02949	1.7
87.00892	1.0
89.02460	2.3
93.03462	2.4
95.01395	1.3
95.05012	0.5
96.96019	0.9
97.02966	2.2
99.00902	0.7
101.02444	1.6
103.00381	0.6
107.01389	0.7
108.02196	0.6
109.02982	1.6
111.00877	0.9
111.04515	0.9
113.02457	2.6
119.05030	1.5
122.03734	1.5
123.00903	2.9
123.04507	0.7
124.01672	10.8
125.02454	77.3
126.02779	1.8
135.02995	1.1
137.02434	1.6
137.85002	0.5
139.00412	0.7
140.75017	0.6
149.04564	0.9
149.99594	7.7
151.00420	2.7
154.01474	1.6
155.03587	0.6
161.04767	0.7
161.06085	1.9
162.06369	1.0
163.04036	1.6
166.99846	0.9
167.03532	0.9
168.00653	18.9
169.01436	100.0
170.01753	2.5
173.04552	2.4
185.11830	4.6
187.13457	1.5
205.12389	1.4
211.02536	1.0
223.13377	1.0
293.73193	0.5
313.05612	3.1
325.20132	1.3
331.06815	5.9
373.07803	2.6
396.79236	0.8
499.18234	78.7
499.24426	3.0
500.18677	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	499.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.8
55.67908	0.8
57.03435	2.3
59.01379	14.0
61.98819	4.0
68.48283	0.8
71.01376	6.3
71.53864	1.3
71.54257	1.0
73.02939	2.3
79.05523	1.1
80.91675	0.9
81.03477	1.0
83.01373	1.5
85.02940	11.7
86.03335	0.8
87.00855	1.1
89.02445	1.7
93.03463	2.9
99.00860	4.1
101.02423	2.3
101.06030	0.8
109.02929	1.0
113.02444	3.8
115.00405	0.9
118.39854	0.8
119.05029	100.0
120.05355	3.7
121.02972	1.0
123.04510	5.5
125.02464	7.4
129.01959	1.1
133.10216	1.0
137.02452	1.6
139.03940	1.6
147.02948	1.8
147.04384	0.8
149.02502	1.3
151.00320	1.6
151.10625	0.7
163.04010	4.3
163.07675	2.2
163.11284	3.1
167.03439	3.8
169.01447	5.0
169.05045	1.5
173.04535	3.3
177.09181	0.9
185.16161	0.8
191.01932	3.5
191.05536	1.2
207.10254	15.5
209.11887	1.7
221.08211	1.4
231.10236	6.8
249.11157	3.6
255.02956	10.7
256.03354	1.5
271.02441	1.4
283.02527	7.6
284.03146	3.5
285.03653	1.2
293.10696	0.9
293.13846	1.0
297.04050	3.2
298.04730	5.4
299.05676	4.9
300.02835	4.7
300.05676	1.1
301.03531	6.1
301.06375	1.1
319.00510	0.9
327.27713	0.9
389.75156	1.2
413.14218	7.0
417.61929	0.9
445.07916	6.3
446.08420	4.0
455.15509	13.8
461.10941	22.9
462.11237	2.4
463.10828	2.8
499.18329	6.5
499.25583	1.8
500.18851	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
57.11083	0.5
59.01382	24.0
61.98832	16.7
69.03459	2.3
71.01382	3.5
71.53705	0.7
73.02943	0.8
75.00872	0.9
81.03461	1.0
83.01389	0.7
83.05013	0.6
85.02949	1.7
87.00892	1.0
89.02460	2.3
93.03462	2.4
95.01395	1.3
95.05012	0.5
96.96019	0.9
97.02966	2.2
99.00902	0.7
101.02444	1.6
103.00381	0.6
107.01389	0.7
108.02196	0.6
109.02982	1.6
111.00877	0.9
111.04515	0.9
113.02457	2.6
119.05030	1.5
122.03734	1.5
123.00903	2.9
123.04507	0.7
124.01672	10.8
125.02454	77.3
126.02779	1.8
135.02995	1.1
137.02434	1.6
137.85002	0.5
139.00412	0.7
140.75017	0.6
149.04564	0.9
149.99594	7.7
151.00420	2.7
154.01474	1.6
155.03587	0.6
161.04767	0.7
161.06085	1.9
162.06369	1.0
163.04036	1.6
166.99846	0.9
167.03532	0.9
168.00653	18.9
169.01436	100.0
170.01753	2.5
173.04552	2.4
185.11830	4.6
187.13457	1.5
205.12389	1.4
211.02536	1.0
223.13377	1.0
293.73193	0.5
313.05612	3.1
325.20132	1.3
331.06815	5.9
373.07803	2.6
396.79236	0.8
499.18234	78.7
499.24426	3.0
500.18677	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	499.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
59.01382	1.6
60.99314	0.6
67.01888	3.2
69.03454	1.0
70.64884	0.7
70.65246	0.3
71.01385	2.6
81.03466	1.1
83.05034	0.6
85.02963	0.7
93.03461	21.9
94.03798	0.4
95.01337	0.3
96.02187	0.3
104.75684	0.3
109.02899	0.5
111.00883	0.9
111.04527	3.7
113.02425	0.5
119.05030	25.3
120.05385	0.5
127.04021	0.5
137.02440	3.6
145.02890	0.3
155.03517	4.0
163.04010	26.5
164.04317	0.7
173.04546	100.0
174.04910	2.6
214.33011	0.3
325.09308	3.9
327.25970	0.3
337.09366	0.5
345.31213	0.3
499.14474	8.0
500.14795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
59.01381	1.9
60.99309	0.5
61.98823	0.9
66.22343	0.3
67.01885	4.2
68.68602	0.2
69.03458	1.2
69.23636	2.5
71.01382	3.5
76.19381	0.2
81.03455	0.7
83.01395	0.4
83.05030	0.5
85.02952	5.5
87.00841	0.7
89.02464	0.4
93.03458	24.7
94.03777	0.5
96.96014	1.7
96.96999	0.3
99.00810	0.4
99.47894	0.3
101.02441	0.4
109.02962	0.9
111.00867	0.9
111.04515	3.8
113.02458	0.7
119.05026	25.6
120.05374	0.9
125.02408	0.4
127.03971	0.3
129.01933	0.8
130.38333	0.2
137.02431	3.9
137.03384	0.4
147.03000	0.7
155.03525	3.6
163.04008	27.9
164.04359	0.9
173.04546	100.0
174.04895	2.5
191.01927	1.9
191.05565	0.5
202.06630	0.3
209.03004	6.1
285.04105	0.3
293.66580	0.3
300.02664	1.6
301.03549	1.1
325.09305	4.9
325.85553	0.3
337.09271	0.9
337.12924	0.3
369.73318	0.3
378.94327	0.3
463.08600	2.6
463.21866	0.5
464.08676	0.4
499.14020	8.1
499.20764	0.4
500.14780	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68687	0.7
57.03454	5.5
59.01373	4.0
60.99302	0.8
67.01887	4.0
69.03445	1.2
71.01382	7.2
71.53045	0.9
72.99321	3.0
75.00872	16.3
81.03436	1.1
83.01399	1.5
83.05023	1.8
85.02950	28.8
87.00882	2.3
88.98808	0.7
89.02422	0.9
93.03458	24.6
95.01421	0.6
96.96000	1.8
101.02456	0.8
108.04560	0.9
109.03001	0.9
111.00874	3.6
111.04540	4.8
113.02442	1.5
117.03484	4.4
119.05028	51.8
120.05382	0.8
121.29063	0.6
124.07676	2.3
125.02475	1.2
129.01933	4.0
133.06612	0.9
135.02994	1.0
136.07704	2.3
137.02455	4.0
145.02962	28.6
145.34528	0.6
147.03009	13.4
155.03517	4.2
155.57803	0.6
161.06093	1.5
163.04007	55.6
164.04352	1.1
164.07158	0.9
168.06696	3.6
173.04544	100.0
174.04839	2.5
177.01918	0.8
177.05679	0.7
191.01984	1.1
191.05603	2.4
205.05028	2.0
209.02994	1.0
229.09718	0.7
269.51154	0.7
271.10992	1.8
277.11929	5.4
293.06674	11.5
301.12112	1.4
325.09296	7.1
327.05048	1.8
337.09238	0.7
411.09344	3.9
455.11938	39.2
456.12079	3.2
463.17227	1.8
481.18448	1.9
499.14493	12.3
500.14899	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.0
59.01374	7.2
62.17183	1.2
69.03455	37.1
70.19881	4.3
71.01380	10.8
80.32677	1.2
85.02949	25.6
89.02457	6.1
93.03450	4.8
101.02430	2.8
111.00885	10.9
111.04504	1.3
112.01671	36.4
113.02454	41.5
119.03477	2.4
119.05029	15.4
157.01419	100.0
158.01662	2.0
158.04594	10.2
161.36919	1.7
163.04004	16.4
173.04578	11.1
179.05566	3.6
190.73901	1.3
191.05579	2.7
227.06419	1.3
341.10840	18.8
373.77383	1.2
499.14966	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	499.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
57.03437	4.4
59.01141	1.0
59.01382	9.7
67.01874	3.6
69.03452	38.3
71.01381	12.5
82.43626	1.1
85.02946	23.5
89.02446	5.6
93.03462	7.4
95.01334	1.1
98.20756	2.4
101.02440	2.4
111.00882	10.2
111.04498	2.1
112.01662	30.9
113.02454	43.3
114.05656	1.6
118.96620	2.4
119.03490	1.9
119.05033	20.9
143.93698	1.1
155.03427	1.7
157.01418	100.0
158.01793	2.3
158.04576	28.9
163.03998	22.5
173.03133	1.6
173.04535	19.8
179.05560	3.3
191.05605	3.0
217.00175	2.1
286.52466	1.1
325.09229	1.6
341.10922	24.2
400.58640	1.2
439.07663	1.4
499.14734	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	499.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42289	0.8
57.03437	2.6
59.01381	13.7
61.98831	10.6
63.02393	2.2
65.00317	3.0
69.03450	1.5
71.01379	4.6
71.25675	0.9
71.53500	1.3
73.02938	2.1
75.00919	1.0
81.03449	1.2
83.01398	4.5
85.02952	8.4
87.00868	2.0
87.47685	0.8
88.98829	1.3
89.02446	2.4
93.03479	2.5
96.96013	2.1
97.02970	2.1
99.00912	1.0
99.04500	1.6
101.02451	3.8
107.01388	9.4
109.02930	1.7
111.00854	2.7
111.04515	1.3
113.02448	1.9
119.05047	5.0
121.02969	8.2
123.00898	2.6
123.04515	1.5
124.01630	3.3
125.02448	51.8
126.02795	1.9
128.03502	0.9
129.01918	2.0
130.08742	2.6
131.03513	1.1
135.04533	1.0
137.02454	3.0
139.00497	0.8
139.04019	2.6
149.02460	2.5
149.04602	1.2
151.00369	45.2
155.03455	1.1
161.04546	1.4
163.02808	1.1
163.03975	6.1
167.03511	8.7
168.00607	5.1
169.01431	63.0
169.05000	6.1
170.01828	2.5
173.04538	5.5
178.99866	18.8
180.00172	1.1
191.01947	2.0
191.05559	2.5
193.01448	0.9
197.04610	2.0
197.67006	0.8
201.11369	1.9
209.11772	2.6
229.04987	1.0
249.14992	2.2
255.02992	3.0
267.06876	1.2
271.02432	2.9
273.04092	1.3
283.02640	1.5
285.03922	1.2
289.18042	4.0
293.10260	3.3
298.04697	1.0
299.05591	1.0
300.02695	5.9
301.03534	100.0
302.03818	5.6
305.06671	3.2
306.07788	1.3
307.19098	1.1
325.20123	2.2
329.13016	1.0
331.06497	1.6
352.50925	0.9
379.13931	1.0
380.07529	0.8
445.07767	6.4
452.20404	1.0
461.10858	3.5
463.08813	76.3
464.09384	4.6
499.18237	51.5
499.25180	3.9
500.18604	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	498.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17438	0.2
59.01377	0.7
61.98829	100.0
62.98538	0.2
65.00323	0.2
66.59006	0.1
69.39776	0.9
69.40186	0.3
71.01366	0.2
81.03475	0.5
83.01392	0.3
85.02986	0.4
93.03477	0.5
105.29783	0.1
119.05056	0.7
123.04517	2.0
125.02453	1.4
138.87926	0.2
149.02443	0.1
151.00389	0.3
167.03484	5.8
169.01402	0.3
173.04573	0.2
179.03470	0.7
273.07672	8.9
274.08112	0.5
301.03424	0.3
396.58112	0.2
435.12970	2.4
436.13620	0.2
498.17474	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83969	1.1
53.31862	1.0
55.01873	2.5
57.03444	4.0
58.00593	2.1
59.01382	68.0
61.98835	15.7
62.65619	1.1
62.97914	1.1
65.03960	5.3
67.09107	1.1
67.88805	1.0
71.01384	34.7
71.54482	2.0
72.99314	2.4
73.02956	14.4
78.91857	1.3
79.99258	1.1
81.03466	4.0
83.01394	11.6
85.02953	18.3
85.60667	1.1
87.00866	3.4
88.98810	1.5
89.02450	6.5
90.02811	1.1
93.03467	6.6
95.01398	2.4
96.96003	5.0
96.96934	1.6
97.02991	1.6
99.00890	4.5
101.02442	36.5
103.04034	1.3
109.02928	4.8
109.90411	1.1
111.00883	1.8
111.04533	8.6
113.02454	13.9
115.00385	1.6
119.03494	2.6
119.05031	2.3
122.03711	1.8
123.00861	1.7
123.04520	2.9
124.01689	1.6
125.02452	11.4
129.01884	1.3
135.04538	1.3
137.02446	17.3
138.03146	3.3
145.02942	1.6
151.03928	1.2
155.03497	3.9
159.02925	3.5
159.04417	1.5
161.04562	13.0
163.03978	3.7
165.01917	10.5
167.03461	1.9
167.07048	1.5
168.00600	1.4
169.01277	1.4
173.04681	1.4
177.01979	1.7
179.03473	4.0
191.05566	1.7
229.76872	1.2
289.07260	2.2
291.18143	53.5
292.18536	1.9
296.11526	1.6
297.07788	1.3
317.17551	1.7
397.40594	1.2
421.19601	1.9
437.23889	100.0
438.24356	5.8
453.22006	3.4
465.18732	3.2
497.21732	39.9
498.21713	3.3
507.89203	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2756
Annotation	Simplexin I
Peak:m/z	Relative Intensity
55.01878	0.4
59.01379	100.0
60.01723	0.7
61.98823	2.8
62.78348	0.3
64.45207	0.3
69.41020	2.7
71.01377	8.8
73.02960	1.0
83.01393	0.7
85.02969	1.4
87.00898	0.5
89.02444	10.7
90.71464	0.4
95.01393	0.6
99.00890	0.7
101.02438	7.5
113.02452	4.6
119.03495	6.2
121.02979	1.3
125.02489	0.6
131.03496	0.8
143.03531	1.3
149.04585	0.7
152.99625	0.3
161.04581	1.5
165.05663	0.6
179.05582	4.0
206.26682	0.4
207.10388	0.5
305.19849	0.5
355.61429	0.4
437.25156	5.3
438.25339	0.4
497.21436	0.7
497.27817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2182
Annotation	Garcidepsidone C
Peak:m/z	Relative Intensity
57.03442	0.5
59.01383	5.3
60.88130	0.3
61.98542	0.4
61.98827	4.8
66.75087	0.4
67.01878	0.5
68.99821	0.4
69.03454	0.4
69.22440	1.9
69.22862	1.3
71.01395	0.7
71.05598	0.4
78.95881	0.4
81.03446	1.0
83.01388	2.0
83.05018	0.5
87.00856	0.5
89.02451	0.6
89.06121	0.4
93.03442	1.7
94.98113	0.4
95.01380	1.5
95.05020	1.0
96.96035	2.2
97.02940	2.6
97.06569	0.7
98.20606	0.7
101.02444	0.9
107.04998	0.5
108.02151	0.7
109.02228	0.7
109.02949	8.6
111.04527	2.1
113.02448	0.6
115.50446	0.4
121.02979	2.5
121.06644	0.5
123.00891	3.4
123.04602	0.8
124.01670	7.4
125.02453	21.4
126.02746	0.5
128.71776	0.3
131.04990	0.4
133.02963	0.5
133.06590	0.4
135.04514	1.0
136.01645	1.1
137.02446	14.9
138.03236	17.4
139.04024	11.6
140.01118	0.4
140.04288	0.4
147.04527	0.6
149.02449	0.9
149.06082	1.5
150.03221	1.4
150.85863	0.4
151.04008	2.0
155.03502	0.6
159.04527	1.2
161.02498	1.9
161.05962	0.4
162.03215	0.9
163.00336	0.8
163.03984	1.0
164.01172	5.2
164.04764	0.8
165.01935	19.6
166.02560	0.7
167.02133	0.8
167.03484	7.1
170.02238	2.0
173.06125	0.5
175.04024	3.3
176.04767	0.7
177.01941	4.4
177.05579	3.2
178.02707	2.8
179.03496	4.7
188.61180	0.4
189.05515	0.4
191.03517	0.9
191.07120	0.6
193.04967	1.1
201.05591	1.0
203.03511	3.3
204.04343	2.0
205.04965	0.9
217.05098	0.7
218.05836	1.3
219.06624	10.5
220.07033	0.6
221.04538	7.9
242.05801	0.6
245.04301	0.5
247.02498	0.9
249.18651	0.8
260.06784	1.2
263.05569	1.1
275.16510	0.4
289.17996	0.4
290.37607	0.4
304.05911	0.8
317.17566	6.9
329.17557	3.9
331.19138	0.8
357.17081	7.2
358.17358	0.5
359.18475	0.5
371.18597	5.6
411.21854	0.6
429.22977	0.8
435.21783	0.7
453.22849	5.6
454.23984	0.5
497.21823	100.0
498.22159	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	497.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01377	7.3
61.98827	4.1
69.03454	0.9
70.54091	0.4
70.54448	1.2
71.01373	1.6
71.03425	0.5
73.02965	0.7
77.01117	0.4
81.03464	1.5
83.01385	1.9
83.05025	1.0
85.02940	0.9
89.02427	0.6
93.03460	2.0
95.01366	1.7
95.05019	1.2
96.96004	1.7
96.96962	0.5
97.02952	2.7
97.06547	0.6
99.04453	0.5
101.02422	1.0
104.41630	0.4
107.05045	0.6
108.02149	2.3
109.02234	0.7
109.02956	10.2
111.04507	2.1
113.02396	1.1
119.04981	0.5
121.02929	2.1
121.06582	0.4
122.03732	1.6
123.00857	3.4
123.04527	3.5
124.01658	7.0
125.02443	20.4
135.04494	1.2
136.01671	1.7
137.02440	14.6
138.03232	18.1
138.04088	0.3
138.04315	0.6
139.04024	11.4
140.01256	0.5
146.03712	0.5
147.04417	0.6
149.02444	1.2
149.06056	1.0
150.03215	1.7
151.04045	2.2
152.01132	0.5
155.03450	0.6
159.04521	0.9
161.02438	1.8
161.04497	0.5
162.03099	0.9
163.00343	1.0
163.04013	1.7
164.01140	4.8
164.04793	1.2
165.01926	18.6
165.05545	0.7
166.02533	0.6
167.03485	8.0
169.05112	0.6
170.02271	2.9
173.04541	0.5
175.04005	3.1
175.07674	0.6
176.04726	0.7
177.01923	4.3
177.05547	2.6
177.55270	0.5
178.02679	1.9
179.03481	3.8
181.04979	0.5
189.01988	0.8
191.03531	1.1
191.07123	0.7
199.04178	0.4
201.05544	0.6
203.03537	2.9
204.04289	2.2
205.05025	0.7
209.11797	0.7
217.04991	1.1
218.05766	1.0
219.06596	8.2
221.04539	8.0
222.04889	0.5
247.02596	0.6
249.18716	0.6
260.06839	0.9
263.05588	0.9
291.18130	0.5
304.06039	0.7
317.17542	5.5
329.17511	4.0
331.19257	0.6
354.18234	0.5
357.17041	8.9
358.17432	0.7
359.18561	0.7
371.18640	5.4
411.21594	0.9
437.24063	0.7
453.22623	4.5
454.22937	0.5
461.26453	0.5
465.18970	0.6
497.21790	100.0
498.22076	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	497.218
Annotation	Garcidepsidone C
Peak:m/z	Relative Intensity
57.03447	0.6
59.01383	3.6
60.21495	0.5
61.98817	1.7
69.03429	0.8
71.01379	0.6
71.53255	0.5
81.03448	1.4
83.01377	1.8
83.05009	0.4
85.02967	0.6
86.11908	0.4
87.00853	0.5
93.03432	1.4
95.01384	1.9
95.05011	0.8
96.96015	1.1
97.02957	2.4
97.06590	0.5
106.37373	0.4
108.02167	1.1
109.02954	9.8
111.04498	2.4
113.02392	0.6
119.05041	0.6
121.02953	2.2
121.06538	0.4
122.03757	0.6
123.00883	3.3
123.04508	1.8
124.01659	5.8
125.02446	19.7
135.04489	0.6
136.01669	1.2
137.02440	14.2
138.03229	15.2
139.04019	10.1
140.01152	0.4
145.06569	0.4
147.04500	1.3
149.02463	0.9
149.06035	1.1
150.03203	1.2
151.03966	1.6
159.04478	1.4
161.02469	1.9
161.06096	0.4
162.03194	0.9
163.00380	1.0
163.04004	2.1
164.01158	4.4
164.04778	0.9
165.01915	18.3
166.02588	1.0
167.03487	7.2
170.02216	3.2
173.06044	0.5
174.03209	0.5
175.03990	3.0
177.01888	3.6
177.05519	3.3
178.02699	2.6
179.03462	4.1
189.01874	0.6
189.05518	0.8
190.02768	0.6
191.03482	1.1
193.05009	0.6
203.03479	2.8
204.04291	2.0
205.04996	1.3
217.04932	1.1
218.05817	1.2
219.06606	7.7
220.07033	0.5
221.04521	7.1
222.04877	0.4
247.02414	0.8
260.06824	0.7
263.05432	0.8
275.16214	0.5
304.05869	1.1
313.17996	0.4
317.17566	6.5
329.17584	4.5
331.19159	0.8
357.17081	6.9
365.12772	0.4
370.99921	0.4
371.18585	5.0
372.18860	0.8
376.90430	0.4
407.14612	0.4
411.21558	0.6
419.89432	0.5
429.23123	0.5
435.21414	0.6
453.22772	4.9
467.94815	0.5
496.06274	0.5
497.21793	100.0
498.22119	8.5
514.61426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1662
Annotation	Globulusin B
Peak:m/z	Relative Intensity
57.03439	0.3
59.01378	0.7
61.98827	6.5
67.01900	0.4
69.03448	2.1
69.69172	0.7
69.69566	0.6
71.01376	0.5
79.01871	0.5
81.03442	0.9
83.01390	0.4
87.00898	0.4
93.03419	0.4
95.01386	1.2
97.02933	1.4
98.20673	0.3
101.02445	0.4
107.01396	0.4
111.00880	0.6
123.00893	2.1
123.04459	0.3
124.01670	4.8
125.02444	77.5
126.02770	1.5
137.02464	0.4
139.00360	1.1
139.11282	0.4
163.04018	0.3
166.99831	1.1
167.03537	0.7
168.00633	9.7
169.01416	100.0
170.01764	2.9
173.04332	0.3
193.01390	0.3
211.02475	1.0
269.04517	0.5
281.17557	0.3
313.05682	1.7
331.06720	3.4
392.02890	0.4
497.16635	78.7
498.16989	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	497.1665
Annotation	Globulusin B
Peak:m/z	Relative Intensity
53.24413	0.4
57.03469	0.4
59.01381	6.3
61.60530	0.4
61.98827	7.0
69.03467	2.2
71.01377	0.9
71.54006	0.7
72.99274	0.5
78.91877	0.6
79.01885	1.1
81.03460	0.9
83.01398	0.8
85.02970	1.4
88.98734	0.4
89.02423	0.7
91.30994	0.4
95.01377	1.9
97.02962	1.9
101.02472	0.9
107.01408	1.7
108.02149	0.6
109.02976	0.7
113.02431	0.5
119.05036	0.4
123.00881	6.2
123.04604	0.6
124.00739	0.7
124.01667	21.0
125.02448	48.6
126.02753	1.0
137.02480	2.1
149.02359	0.6
149.99586	26.1
151.00409	3.0
151.03934	0.6
161.04562	0.5
167.03514	1.3
168.00633	54.7
169.01405	5.9
183.10338	0.5
185.11795	0.7
191.03506	0.4
198.44255	0.4
261.07657	1.5
272.06430	0.7
313.05670	1.4
383.18115	0.4
425.01157	0.4
434.11908	0.5
497.16653	100.0
498.16971	8.9
517.83118	0.5
520.05341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05014	0.7
60.43284	0.9
61.98829	100.0
64.00340	0.7
71.51614	0.6
71.51986	0.9
75.59692	0.6
78.94412	0.7
170.12384	0.7
183.14005	1.0
209.11899	2.9
210.12247	3.0
211.13380	5.9
212.13687	4.0
353.52246	0.9
521.59784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66405	0.4
61.98830	100.0
78.95940	0.6
95.46379	0.4
98.19908	0.8
117.03454	0.6
119.05040	1.0
123.75079	0.4
132.87234	0.4
145.02954	5.5
145.03993	0.5
159.41161	0.4
163.04102	1.1
171.10312	0.5
209.11900	1.7
210.12198	1.6
211.13409	3.5
212.13680	2.9
245.04340	0.7
287.22473	0.6
342.02301	0.5
431.31116	0.6
433.25961	6.6
434.26685	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
59.01371	4.0
61.98836	5.9
66.10371	0.9
69.19961	8.9
71.01375	3.4
75.00863	2.2
85.02962	4.7
87.00883	2.3
89.02448	1.4
95.01342	1.2
98.16490	1.0
98.19967	2.3
99.00877	1.2
100.53896	0.9
106.93871	0.9
107.01363	1.7
111.00893	1.1
113.02423	5.9
125.02442	1.9
133.02960	4.0
137.02489	1.1
139.04016	1.5
144.21565	0.9
149.02449	2.1
151.00383	3.2
157.02885	1.0
173.04512	1.8
175.02509	1.0
175.03989	2.1
199.03981	1.7
217.05109	1.0
243.02936	1.0
270.17722	0.9
285.04041	100.0
286.04245	6.0
442.75964	0.9
461.07239	33.0
462.07468	3.6
465.96100	1.1
487.31583	1.1
497.25815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60929	0.2
59.01377	0.7
61.30518	0.2
61.98830	100.0
62.98525	0.2
69.40099	1.0
69.40516	0.4
71.01403	0.3
87.00872	0.2
89.02422	0.2
93.03477	0.2
95.01329	0.2
97.55207	0.2
119.05026	0.2
120.75468	0.2
124.01698	0.2
125.02449	2.5
135.04485	1.2
147.23940	0.2
151.00360	0.3
168.00636	0.3
169.01431	2.9
175.87468	0.2
209.11917	0.2
265.31235	0.2
271.06186	0.6
271.10928	0.3
286.86990	0.2
300.02829	0.2
324.44724	0.2
327.08121	0.2
433.11526	0.5
497.16623	2.7
497.23502	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.2
61.98830	100.0
71.01492	0.7
84.17591	0.4
123.04562	0.6
125.02448	0.7
125.46370	0.5
139.07727	0.5
142.45792	0.5
150.06909	0.7
167.03534	1.5
312.79816	0.6
401.63727	0.5
464.34793	0.5
495.36993	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85929	0.2
57.03480	0.2
58.91616	0.2
59.01382	1.3
61.98833	2.5
62.28878	0.2
63.15292	0.2
64.32240	0.2
65.99846	0.4
69.03447	0.4
71.01383	0.3
98.20669	0.3
101.02437	0.3
102.81208	0.2
109.02951	0.8
121.02946	0.2
124.22994	0.2
125.02435	0.3
137.02437	3.4
138.03224	7.1
139.03914	0.2
139.11250	0.3
148.25786	0.2
167.02220	2.1
168.03014	100.0
169.03355	2.3
183.10275	0.8
185.13622	0.2
194.68175	0.2
253.65831	0.2
322.04413	0.2
365.10217	0.3
366.10693	0.7
405.02963	0.2
496.18246	26.0
497.18179	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2595
Annotation	Cussoracoside E
Peak:m/z	Relative Intensity
57.01938	1.5
59.01372	1.9
60.33453	1.1
61.98829	11.9
65.23215	1.3
71.51867	1.7
83.05051	2.3
93.12413	1.3
104.92757	2.3
123.08171	12.9
135.08136	2.4
173.09778	1.6
175.14923	2.0
209.11772	2.4
211.13353	4.5
269.19083	9.4
271.20688	3.0
289.14041	1.5
308.97314	1.4
315.19626	100.0
316.20004	6.1
495.36987	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	496.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
59.01370	1.3
61.98832	31.0
68.00815	0.6
69.45078	1.3
69.45477	3.8
71.01392	0.6
83.01386	1.1
85.02953	0.6
98.19900	1.1
107.01382	0.9
108.02180	1.4
109.02956	0.6
119.93919	0.6
121.02966	0.7
148.01672	0.8
151.00386	4.3
152.01015	0.9
163.00407	1.5
178.99847	2.4
201.11324	1.3
204.28311	0.7
211.03867	0.7
226.02721	1.1
227.03560	1.1
232.27914	0.6
243.02971	6.3
245.60992	0.6
254.02267	1.8
255.02986	19.4
271.02466	39.0
272.02997	2.2
299.02072	0.7
300.02744	92.1
301.03433	21.1
302.04019	0.8
433.07724	100.0
434.08026	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	496.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51424	0.2
53.71510	0.2
59.01379	1.6
61.98829	100.0
63.02389	0.3
65.00314	1.1
69.03472	0.4
70.67538	0.2
70.67892	0.7
71.01393	0.6
75.00848	0.3
81.03419	0.3
83.01396	1.0
89.02457	0.4
90.04510	0.2
93.03468	0.9
96.95984	0.2
97.02972	0.6
101.02472	0.4
107.01393	2.2
108.02186	0.3
109.02953	0.5
113.02463	0.3
119.03664	0.3
119.05025	5.2
123.00830	0.3
123.04545	0.5
124.01691	1.0
125.02442	10.6
139.04068	0.3
141.06717	0.4
145.02994	0.8
149.99590	1.2
151.00359	11.9
152.00868	0.3
163.04051	0.3
163.86745	0.2
165.01939	1.1
167.03477	0.6
168.00644	2.9
169.01418	12.9
173.04578	0.3
177.01947	1.0
178.02324	0.2
185.06094	0.7
185.11873	0.2
187.04015	0.4
190.02527	0.3
219.09756	0.2
227.07115	0.6
271.06110	18.6
272.06396	1.3
287.61835	0.2
300.02866	0.3
313.05875	0.9
342.07272	0.5
433.11371	11.0
434.11890	0.9
495.31885	0.3
496.17801	0.5
497.16595	5.4
497.23434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2085
Annotation	Selexipag
Peak:m/z	Relative Intensity
50.50964	0.8
57.03451	1.6
58.00599	1.6
59.01384	37.5
61.98836	21.7
69.73110	2.2
69.73524	3.2
71.01385	24.4
72.99305	2.8
73.02943	2.0
74.30078	0.9
75.00871	8.8
82.02977	2.1
83.01379	2.2
85.02955	6.5
87.00885	1.8
88.98789	1.1
89.02445	22.5
95.01399	2.5
95.05013	0.8
101.02438	19.7
106.69306	0.7
113.02441	8.1
114.00880	0.9
118.16702	0.9
119.03518	7.3
120.08224	1.2
125.02444	4.3
129.01944	2.9
136.04050	1.5
137.02449	1.1
138.05589	1.0
147.02982	8.8
149.91725	0.8
155.10770	1.1
164.03467	1.9
165.04027	4.6
167.10773	19.2
169.12375	1.4
173.04581	0.9
185.11832	9.1
194.04617	2.4
204.08591	0.8
232.93486	0.9
244.09787	1.2
287.10391	5.6
301.12073	0.9
317.45871	0.8
329.16385	1.0
331.09366	4.3
333.06100	1.2
347.17096	100.0
348.17365	4.7
363.11963	3.7
378.68021	0.8
392.34018	1.1
410.41965	0.8
435.25369	1.1
463.13812	1.1
495.20837	86.2
496.20987	5.2
509.62109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.8
59.01374	7.6
60.99303	15.5
61.98828	6.8
70.94746	1.3
71.01382	3.3
73.02934	2.1
79.43656	0.7
79.49195	0.7
81.03435	0.8
83.01372	1.9
85.02938	2.1
87.00866	6.2
88.00372	2.0
88.01197	1.0
88.98804	100.0
89.02441	23.5
89.99168	0.8
93.03468	1.1
96.96004	2.6
99.00867	7.6
101.02458	2.0
104.82811	0.7
113.02460	1.9
123.04582	1.2
125.02443	2.2
149.04547	5.7
151.00328	1.2
161.04520	0.9
167.03471	4.0
168.35129	0.7
173.04539	2.2
191.05658	3.8
203.05615	1.0
257.12634	0.9
268.02219	0.8
271.10892	1.4
273.60886	0.7
287.01913	1.0
288.02094	0.8
349.15732	0.8
363.16666	1.4
382.20697	0.9
451.07709	1.3
451.17862	1.8
495.24426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95004	0.2
57.03450	0.4
59.01373	2.1
59.05495	0.2
61.98830	100.0
69.43246	0.7
69.43677	0.9
71.01376	1.0
73.02940	0.3
82.03001	0.2
83.01412	0.4
85.02959	0.7
87.00867	0.4
88.98810	2.3
89.02431	1.1
93.03480	0.6
96.96029	0.5
101.02463	0.6
109.02911	0.2
111.00885	0.4
113.02475	0.6
118.98060	0.2
122.06120	0.2
125.02418	1.1
136.07722	0.8
137.02458	0.4
138.01964	1.7
138.05612	0.9
163.04091	0.2
164.03419	0.3
169.01434	1.0
173.04572	0.6
175.02486	0.4
191.05638	0.6
227.08296	0.3
242.10680	0.3
245.04529	0.3
257.12994	1.4
287.10440	0.6
303.38593	0.2
321.15619	0.8
331.09457	0.6
340.04092	0.2
345.10977	0.4
363.11929	0.5
363.16675	1.9
375.07373	0.5
432.11710	0.6
434.25287	0.4
435.25305	0.3
495.21442	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.3
59.85221	0.9
61.98836	4.8
65.48986	0.8
71.36058	1.3
73.84544	0.8
78.95903	41.5
82.49245	0.8
96.96972	4.6
102.61260	1.1
124.72645	0.8
150.98003	1.2
152.99583	100.0
171.00635	3.6
255.79478	0.9
277.21848	1.2
431.16379	1.6
431.21970	26.0
432.22266	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	494.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76510	0.5
56.70214	0.5
61.13338	0.5
61.98829	100.0
62.29694	0.5
71.06293	0.8
71.06618	1.0
78.63833	0.5
80.14294	0.5
119.05061	1.4
145.02946	4.9
163.04094	1.3
179.53015	0.7
210.54729	0.6
219.16626	0.6
243.48900	0.5
268.75882	0.6
281.86227	0.6
282.11926	0.5
422.42514	0.6
431.24454	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	495.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.3
59.01370	1.5
61.98815	2.3
63.02397	1.5
63.44669	1.2
65.00321	3.3
67.01896	1.4
71.01363	2.1
71.52164	1.7
74.74585	1.4
78.44774	1.3
83.01382	3.0
85.02940	3.6
87.00858	1.4
88.98803	2.0
89.02422	1.8
93.03463	4.9
95.01414	1.8
96.95993	2.9
99.00874	1.6
101.63130	1.2
107.01382	11.4
107.04995	1.3
108.02216	1.6
109.02937	5.1
119.04993	2.5
123.04518	1.2
125.02434	38.3
126.02753	1.3
133.02933	2.0
135.04533	3.9
136.01657	2.9
137.02420	9.5
139.68079	1.3
147.92320	1.4
149.02431	1.7
151.00337	12.0
153.01881	2.2
158.70102	1.3
159.04465	2.4
161.06058	1.6
163.00362	3.6
163.03983	1.5
164.01125	5.2
165.01915	4.2
167.03450	2.4
169.01413	33.4
171.04469	1.8
173.04572	1.7
173.06102	3.4
175.04028	5.7
177.01915	3.0
177.05525	3.2
178.99818	3.3
179.03465	2.2
183.04457	1.8
189.05513	1.6
191.03760	2.6
191.05595	32.1
191.07127	2.9
192.00641	3.5
193.01334	2.6
199.03954	2.9
201.01953	1.3
201.05511	1.5
203.03545	2.9
207.02992	2.5
214.02731	1.4
215.03452	4.6
217.05086	2.7
227.03445	2.9
243.02925	4.4
245.04587	2.5
271.02411	3.6
289.03525	100.0
290.03912	4.1
292.18185	1.1
302.04205	2.3
303.04962	2.2
331.04663	13.4
333.02502	39.1
333.06021	1.4
334.02628	1.4
343.06686	36.3
344.07080	2.2
495.08099	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	493.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41752	0.7
50.72086	0.7
55.01866	1.7
57.03448	1.6
58.00585	1.2
59.01379	47.1
61.98498	0.8
61.98829	13.3
71.01382	31.1
71.17091	1.6
72.99307	3.2
73.02936	2.0
75.00865	3.2
80.08646	0.6
83.01363	3.4
85.02947	9.4
87.00885	2.5
88.98795	1.0
89.02446	28.6
91.01911	2.0
93.03466	1.7
95.01385	2.6
97.06591	0.9
99.08131	4.1
101.02445	18.9
108.02153	0.9
109.02950	3.3
113.02449	11.5
119.03501	10.7
119.04939	0.9
124.83068	0.8
125.02437	2.5
129.09207	10.3
131.03514	1.2
135.00893	3.1
135.08113	0.9
137.02426	1.4
143.03516	2.2
143.10774	3.5
145.02960	1.6
147.04501	2.6
149.04527	1.2
153.01924	9.0
153.05498	0.8
161.02498	1.4
161.04558	1.3
162.03250	1.4
163.04016	1.1
167.14398	3.2
168.84738	0.6
179.05563	4.9
180.05774	0.8
191.01947	1.0
194.78609	0.8
195.51816	0.7
201.87692	0.8
211.00873	0.8
211.13448	1.6
224.16554	0.8
229.14343	1.9
242.60522	0.7
267.23257	5.0
271.09882	1.3
281.04514	1.9
283.06168	0.9
285.18591	0.8
295.15414	1.0
308.06750	1.0
313.10822	2.3
313.23837	100.0
314.24069	5.8
331.19180	6.1
331.24826	2.2
339.08707	2.0
348.88101	0.8
357.09842	1.9
375.26694	0.9
433.23471	0.9
449.12305	3.2
450.63708	0.7
472.18079	0.7
493.30130	53.8
494.30389	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	493.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.5
58.00591	3.4
59.01381	100.0
61.98831	21.1
66.63379	1.2
70.69096	1.8
70.69425	2.0
71.01382	51.9
72.12849	1.1
72.99304	3.6
73.02948	7.0
75.00871	4.7
83.01395	4.3
85.02956	19.0
87.00871	4.1
87.04506	1.5
88.98789	1.9
89.02444	62.9
95.01360	3.4
99.00876	2.4
101.02444	35.6
103.00385	3.9
113.02451	25.8
119.03502	31.1
125.02428	3.5
129.01942	1.4
131.03484	3.7
135.00897	1.6
143.03490	8.0
147.03047	1.5
149.04494	3.3
151.00366	3.0
161.04543	13.7
163.04047	1.7
164.92094	1.2
167.03482	1.8
175.02444	1.5
178.99828	1.6
179.05611	30.1
179.40250	1.2
182.48331	1.2
191.02010	4.0
198.17720	1.1
209.03056	1.4
227.07095	2.7
267.11569	2.6
271.19165	2.3
273.04178	2.3
311.10242	1.3
316.02280	2.0
331.04565	5.8
331.08102	2.4
361.18378	2.0
379.15866	3.2
433.24435	56.4
434.24902	3.0
493.09845	1.5
493.23599	1.4
519.53540	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	493.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
57.03444	6.9
58.00583	1.6
59.01379	100.0
59.47420	1.2
59.50466	1.1
61.98829	21.3
69.44927	8.1
71.01384	64.1
72.99309	3.7
73.02943	5.7
75.00891	2.0
83.01382	4.1
85.02946	15.6
87.00876	4.6
88.98797	1.8
89.02448	69.4
93.03455	1.6
95.01394	2.8
95.30641	1.2
96.96008	8.7
99.00883	2.1
101.02444	36.9
103.00293	1.5
112.58085	1.1
113.02446	29.0
119.03507	32.6
122.23095	1.3
125.02443	3.4
129.01929	1.7
131.03540	3.4
143.03511	7.4
149.04587	1.4
161.04543	14.9
162.35817	1.1
163.03894	1.3
173.04581	1.5
174.25755	1.2
179.05611	34.2
191.05602	2.2
199.13483	2.5
201.11275	1.6
253.10976	1.5
271.19061	3.5
273.03998	1.9
331.17599	3.7
343.14084	1.4
361.18588	11.5
361.22464	2.9
433.24454	28.2
471.58936	1.4
493.22232	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18566	0.5
57.70905	0.5
59.01382	6.7
60.00919	0.5
60.99311	11.6
61.98830	2.0
64.84476	0.6
69.03433	0.5
71.01373	1.7
71.53437	1.1
73.02940	1.1
75.00877	0.6
80.22822	0.6
83.18208	0.5
85.02964	1.4
87.00883	6.0
88.98808	100.0
89.02452	7.7
93.03445	1.3
96.96021	0.8
101.02444	2.0
113.02437	1.4
119.03542	0.8
119.05033	3.0
124.30108	0.5
125.02432	0.6
161.04517	1.4
163.03952	3.0
163.78191	0.5
169.01381	1.0
173.04552	2.0
191.05623	0.8
242.70920	0.6
258.01663	1.9
259.02438	5.6
287.01855	1.7
301.03610	0.8
421.07861	1.8
433.24408	2.9
457.13614	1.8
475.04834	0.9
491.37973	0.6
493.19455	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
57.03440	5.1
58.00596	1.9
59.01381	81.2
61.98836	16.7
63.57043	1.0
70.71665	3.2
71.01382	50.2
71.05012	1.9
72.99303	2.8
73.02950	6.4
83.01384	4.5
85.02957	16.3
87.00877	3.5
87.04523	2.0
88.98818	1.6
89.02447	48.9
95.01411	2.7
97.02974	1.4
98.65043	1.2
99.00847	3.2
99.04530	1.4
101.02448	32.4
113.02451	19.1
119.03504	21.2
120.99654	3.1
122.82030	1.1
122.99245	3.2
125.02499	1.6
131.03500	2.2
137.02420	1.9
143.03490	4.8
149.04626	2.4
161.04585	14.4
175.02472	1.4
179.05595	18.5
200.59007	1.1
271.19135	10.3
273.03442	1.2
285.04083	1.5
289.91571	1.3
300.02240	1.5
301.02267	1.4
303.16666	1.4
314.03946	1.5
315.04086	3.4
333.18982	1.3
347.24365	1.5
361.18625	7.3
431.09976	1.9
433.24393	100.0
434.24594	7.3
446.62683	1.1
463.08051	2.7
478.10080	2.5
493.12592	16.2
493.19635	1.8
493.22873	1.7
500.92834	1.2
516.19830	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.1
57.97812	0.4
59.01389	6.2
59.35672	0.4
59.96817	0.4
60.99308	0.5
61.31737	0.4
61.98825	2.7
63.02400	0.9
65.00320	3.0
66.12548	0.4
67.01855	0.5
68.74165	0.4
69.03439	0.5
71.01377	2.9
72.99290	0.5
73.02952	0.5
79.01922	1.4
79.63666	0.4
81.03470	1.3
83.01397	2.5
83.05061	0.6
85.02950	1.6
87.00879	100.0
88.00417	0.7
88.01237	0.4
88.98808	1.3
89.02452	2.6
91.05537	2.3
93.03453	1.6
95.01382	3.2
96.96006	0.5
97.02943	0.6
99.00871	0.5
101.02431	2.5
103.00397	0.7
107.01386	4.7
109.02943	0.7
111.00866	3.2
113.02448	1.9
115.05517	0.5
117.03461	0.6
119.03514	0.8
119.05021	1.6
121.02947	0.8
122.00828	0.4
123.04527	5.4
125.02459	2.2
129.01947	0.7
135.00845	0.6
135.04555	1.0
137.02403	0.7
139.07617	0.6
143.05037	1.2
145.02930	1.5
147.04538	0.6
149.02408	0.5
149.14761	0.4
151.00368	25.0
151.03931	1.0
159.04512	2.5
161.02422	0.8
163.03992	7.2
167.03499	19.6
168.03911	0.8
169.01422	1.2
171.04564	0.5
173.02396	0.6
173.04584	1.0
175.03969	0.7
177.01804	0.6
178.99854	10.5
179.05525	0.5
187.03999	2.9
189.01947	1.2
191.03357	0.5
191.05617	0.6
203.03502	5.7
205.44203	0.5
206.99333	1.1
209.04567	1.6
210.04846	0.8
215.03505	2.5
217.01352	2.1
219.02963	1.1
221.27829	0.5
231.02965	5.3
233.00908	1.2
239.05649	0.8
240.05940	0.8
243.02945	1.5
245.00732	0.6
257.00882	1.2
257.04266	0.4
258.01700	1.4
259.02435	5.8
273.03998	0.7
286.01172	1.4
287.01968	95.4
288.02322	4.9
299.02142	0.6
319.13950	3.0
321.75400	0.5
329.08737	2.6
405.14026	4.7
421.08160	0.6
433.24249	1.3
448.25018	0.4
449.07245	44.3
450.07526	3.8
493.06396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.114
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
59.01369	1.9
61.98830	3.6
63.02388	0.9
65.00335	2.0
69.24986	2.4
69.25399	1.5
71.03050	0.5
75.00861	1.6
83.01370	1.0
107.01380	4.1
119.55383	0.5
125.02389	1.1
130.52602	0.5
132.02138	1.1
133.02954	11.3
145.02902	0.7
149.02414	2.1
151.00365	8.7
171.04552	0.6
171.10277	0.5
175.03990	3.5
183.04501	1.7
187.03929	1.1
199.03966	3.6
201.02019	0.8
211.03932	0.9
217.05014	1.4
227.03502	3.0
241.05070	1.2
243.03102	0.9
255.02985	63.7
256.03741	38.5
256.06577	1.0
257.04181	1.8
265.09775	0.7
281.04541	0.7
283.02478	85.8
284.03238	100.0
285.04013	92.1
286.04459	3.8
288.37283	0.6
298.04614	0.8
326.04269	1.4
403.29184	0.6
463.10367	1.4
475.10156	2.0
493.11414	15.0
493.17755	0.8
494.11954	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	491.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11022	0.4
53.32893	0.4
57.03439	1.1
59.01384	4.9
61.98817	1.5
69.03475	0.5
69.66598	1.0
69.67019	1.6
71.01373	1.9
73.02946	2.2
75.00851	0.7
85.02967	0.4
87.00888	1.2
87.04517	0.6
89.02443	7.2
93.03491	0.8
101.02425	0.9
103.04013	0.9
111.08136	1.9
113.02401	0.6
131.03488	2.0
141.25584	0.6
149.04555	15.5
154.87987	0.4
162.01700	0.4
163.04118	0.5
165.12846	30.6
166.13223	0.8
183.13895	100.0
184.14238	3.4
196.92914	0.4
201.14902	0.5
209.11853	2.9
227.12883	67.4
228.13130	2.5
247.81902	0.4
269.17590	0.8
281.40448	0.4
311.22351	0.8
341.15952	1.2
359.17105	40.1
360.17578	1.9
373.26016	4.3
375.27545	0.5
491.21451	39.1
491.28625	4.9
492.21912	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	491.3378
Annotation	28-Homodolicholide
Peak:m/z	Relative Intensity
51.52313	0.4
53.41108	0.3
57.03437	0.9
59.01383	0.6
61.98820	0.7
64.29519	0.3
69.03474	0.5
71.01369	0.7
71.41472	0.7
73.25509	0.3
81.03447	0.6
85.02973	0.7
87.04514	48.3
88.04828	0.5
99.04524	0.5
147.89780	0.3
152.99570	0.6
297.22174	0.5
313.25323	3.7
329.28455	3.1
347.29453	3.5
357.31662	0.5
359.29373	0.6
359.33405	0.6
387.32846	0.4
395.29651	0.7
411.32504	0.8
413.30569	1.8
447.34845	4.1
448.34903	0.7
473.32739	0.7
491.33762	100.0
492.34064	9.6
500.29349	0.4
518.71613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55614	0.7
57.03437	2.5
57.24851	0.6
59.01380	13.6
61.98833	5.0
63.09489	0.5
63.82485	0.7
69.03445	0.7
71.01391	4.4
71.05050	0.7
71.53962	0.7
72.99297	2.1
73.02947	2.5
75.00865	1.7
83.05027	0.9
85.02959	2.2
87.00872	2.1
89.02442	7.0
91.01908	1.0
93.03474	0.8
97.06593	0.9
101.02438	2.6
111.00788	0.7
111.08157	1.8
113.02430	2.1
118.98099	0.7
119.04990	1.7
121.02983	0.9
127.11304	0.9
131.03471	1.6
135.00911	1.2
145.02960	1.2
148.01657	1.1
149.04558	20.6
163.04027	1.4
165.12848	28.8
166.13220	1.3
171.10275	1.5
173.04556	1.1
174.77454	0.6
181.12357	0.8
183.13898	100.0
184.14240	3.3
201.11282	5.6
209.11794	2.6
227.12888	68.1
228.13222	2.3
253.04985	1.4
254.05956	0.7
259.98004	0.6
269.08191	11.8
269.17648	1.1
270.08612	1.0
311.22247	1.7
329.23215	1.9
341.16006	2.2
343.25146	0.7
359.17096	41.5
360.17352	3.2
373.25943	7.7
374.26163	0.9
427.19208	0.7
431.22537	1.0
473.27435	1.2
491.21307	28.1
491.28653	28.3
492.21448	2.1
492.29001	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11292	0.3
57.03448	0.4
59.01140	0.4
59.01383	3.4
61.98840	0.4
66.43875	0.4
71.01378	1.2
85.02952	1.0
87.00858	0.4
88.98836	0.7
89.02444	0.6
93.23299	0.3
96.96020	1.4
98.72745	0.3
101.02466	0.5
101.57487	0.4
102.98655	0.5
103.00393	0.4
113.02425	0.7
120.99656	100.0
121.99991	0.8
122.06720	0.4
167.57948	0.4
271.33835	0.4
272.03308	0.6
283.04959	0.4
300.02740	7.0
315.05096	9.2
359.13327	0.4
431.22885	0.9
464.78522	0.4
474.14899	0.4
491.08093	1.3
491.19342	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	491.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.2
59.01379	5.2
61.98830	7.3
71.01373	1.9
73.02938	0.7
75.00882	0.3
83.01379	0.5
85.02955	1.2
87.00851	0.6
89.02452	1.6
90.18697	0.3
93.03444	0.7
95.01370	0.3
96.96014	0.5
101.02451	2.0
113.02479	1.1
119.03477	0.6
120.99655	100.0
122.00000	0.8
127.00368	0.7
139.36034	0.3
149.04582	0.4
161.04593	0.5
161.19958	0.3
163.04143	0.3
165.04065	0.3
173.04607	0.5
179.05554	0.3
199.59427	0.3
201.11363	0.9
212.81099	0.3
215.57257	0.3
227.42928	0.3
243.69772	0.3
269.17645	0.5
286.04178	0.3
293.26016	0.4
300.02704	1.5
315.05188	1.3
343.21219	0.5
345.22839	3.1
359.20862	0.6
431.22604	1.6
491.19473	4.0
491.25235	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	491.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05547	0.3
55.92861	0.3
59.01373	1.3
61.28234	0.3
69.03469	0.7
71.01387	4.5
73.02938	4.4
75.00865	0.4
76.07748	0.3
85.02969	0.6
87.00887	2.6
89.02444	25.4
96.44686	0.3
103.04012	1.4
131.03508	6.8
137.02544	0.6
139.28091	0.3
147.03003	0.4
149.04556	100.0
150.04915	1.4
174.58212	0.3
359.02023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93041	0.8
57.03449	100.0
58.03770	1.1
59.01379	33.6
60.99292	1.2
61.98822	4.9
67.01839	1.0
69.03426	1.0
71.01383	20.0
72.99308	1.5
73.02961	8.7
75.00863	3.9
75.62632	0.9
83.01388	11.4
83.05015	1.0
85.02948	6.3
87.00871	1.9
88.98806	11.8
89.02436	12.7
93.03436	2.6
94.27847	0.8
95.01391	1.1
99.00878	1.1
101.02447	23.8
103.00378	4.0
106.59269	0.8
113.02446	9.4
114.45921	0.8
119.03509	4.1
119.04933	1.2
120.99652	6.9
121.10212	2.4
125.02494	1.9
127.00382	16.9
131.03506	1.0
135.02980	1.8
137.02425	1.7
143.03513	1.9
145.01434	12.9
149.02448	1.0
149.04550	1.8
153.09206	6.4
160.05299	1.4
161.02492	1.0
161.04539	3.9
163.02583	1.3
165.09105	1.0
173.04488	3.5
174.04776	1.0
175.07660	2.2
179.03488	1.0
179.05573	2.0
180.43640	0.9
183.04578	1.4
191.05630	2.7
197.08182	6.4
197.11763	1.1
201.05634	1.2
204.26421	0.9
209.04533	1.0
211.03986	1.2
221.81105	0.8
239.05627	1.7
241.10793	2.4
273.04041	2.8
299.12967	4.5
300.02655	2.5
306.22141	1.0
315.05222	5.2
328.50876	0.9
329.12662	1.7
345.15530	45.3
346.15778	1.9
359.13516	2.3
359.20425	1.7
373.14932	1.2
431.16666	1.5
431.22830	6.1
432.23563	0.9
491.17688	81.8
492.17938	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	491.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60045	0.5
57.03444	1.1
58.73317	0.5
59.01378	8.0
60.99011	0.8
60.99308	14.5
61.98827	1.6
62.79239	0.5
71.01379	2.3
73.02962	1.2
73.49297	0.5
75.00866	0.7
76.64867	0.4
83.01378	1.3
85.02940	1.6
87.00886	3.2
88.01218	0.6
88.98805	100.0
89.02444	3.7
89.99131	0.5
93.03464	1.5
95.01363	0.5
96.96001	0.5
97.02909	0.9
99.00884	0.5
101.02460	2.0
113.02449	1.6
119.03512	0.5
123.04520	1.4
125.02419	2.1
137.02408	0.9
149.04498	0.5
151.00407	0.7
159.04512	0.8
161.04573	1.1
165.01857	0.5
167.03464	1.8
173.04555	1.3
175.02338	0.8
176.64383	0.5
179.03415	0.5
183.04482	1.0
191.05617	0.8
197.04613	0.6
209.04573	4.6
211.03967	1.2
225.05617	1.9
235.00015	0.6
239.05643	2.1
250.21227	0.6
269.06665	1.2
273.04004	1.3
300.02887	0.5
301.03641	1.7
314.11578	1.5
329.09567	0.7
329.13889	6.3
366.40631	0.7
371.07697	1.1
401.14368	1.9
431.22769	2.5
436.60461	0.5
491.08005	0.7
491.18173	1.7
493.35175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
65.04585	0.3
67.66209	0.3
69.03459	0.7
69.78173	1.1
69.78583	0.5
71.01380	9.1
73.02947	7.6
75.00864	0.4
87.00872	4.2
89.02442	44.5
90.02744	0.3
101.02433	0.6
103.04021	2.9
131.03505	7.8
149.04555	100.0
150.04845	1.6
328.23795	0.3
448.91687	0.4
501.32205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15890	0.7
57.03433	2.0
59.01381	12.0
61.98840	0.8
63.95861	0.7
63.96183	0.8
64.17983	0.7
69.03452	1.6
69.10074	0.6
70.52682	1.6
71.01380	4.7
72.99308	0.9
73.02937	2.3
75.00871	1.3
80.90844	0.7
81.03457	5.8
83.01382	8.3
83.05023	0.8
85.02955	3.5
87.00877	4.7
88.98818	1.1
89.02449	2.8
93.03457	3.0
95.01389	2.5
95.05026	4.0
96.96017	0.7
97.02927	3.8
97.78196	0.7
99.04519	2.0
101.02430	2.9
107.05029	1.6
109.02928	3.6
111.00881	0.9
111.04524	1.8
111.08171	1.0
113.02415	3.8
117.97259	0.9
119.03476	1.7
119.04986	1.3
121.02955	4.0
121.06506	0.9
122.03713	0.7
123.04528	16.8
125.02457	10.7
135.04503	4.0
137.02467	3.8
137.06097	6.9
139.04042	5.2
141.05557	1.2
147.04504	2.0
149.02411	1.4
149.06049	1.7
151.03996	2.8
153.05521	0.8
155.03481	0.9
157.08702	1.2
161.02419	1.3
161.04633	0.9
161.06026	0.9
162.03156	0.7
163.04008	3.2
164.04761	0.8
165.01889	2.9
165.05556	2.7
167.03493	27.4
173.04616	2.3
177.02057	0.7
177.05563	1.4
179.03503	7.5
179.05637	1.3
179.07094	1.6
180.04269	2.4
181.05081	3.2
183.03009	1.0
183.04578	1.1
183.06561	1.4
187.63321	0.7
189.05544	1.0
191.03502	1.6
191.05630	1.8
193.05060	2.7
194.34686	0.7
195.04601	0.8
195.06450	1.3
197.04480	3.6
199.04041	0.8
201.05760	0.9
201.07677	3.7
203.10750	1.4
207.06532	1.2
209.04549	52.8
210.04874	1.7
211.03969	1.0
221.04497	9.0
222.04964	1.1
223.06113	0.9
233.04478	1.1
235.06078	2.9
239.05591	21.1
240.06015	0.9
251.05597	100.0
252.05945	4.1
263.05551	5.6
265.07254	0.9
269.06564	1.8
273.03952	1.8
281.06665	62.8
282.06952	3.1
289.07455	0.8
293.06735	2.9
305.06714	0.8
311.07693	17.6
312.08167	1.1
323.07767	0.9
329.08768	1.3
335.07709	1.3
353.08731	6.6
371.10056	15.2
372.09995	0.8
383.09799	4.1
383.17441	1.1
401.09674	2.5
401.95959	0.8
431.22931	3.9
473.12970	1.5
491.13660	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	491.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
59.01381	3.4
61.98821	1.4
69.81502	0.7
69.81886	0.9
71.01372	1.3
75.00869	0.4
83.01382	0.5
85.02978	0.7
85.59604	0.3
88.98792	0.4
89.02421	0.7
96.96043	0.4
100.77007	0.3
101.02453	0.9
111.00923	0.3
113.02451	1.0
120.99660	12.2
121.02956	0.4
129.87387	0.3
149.25417	0.3
151.00362	0.4
160.01674	0.9
161.02451	2.3
173.04588	0.5
183.04488	0.6
185.02435	0.7
187.00417	0.4
187.04079	0.4
198.03169	2.1
199.03970	0.8
200.01221	0.4
201.01904	0.9
202.02739	1.9
203.03510	0.8
214.02736	0.8
215.03503	0.4
225.01947	0.8
226.02724	10.9
227.03502	5.7
228.03891	0.5
242.02242	2.1
243.02989	11.1
244.03114	0.5
253.01309	1.7
255.02992	0.7
269.98883	0.6
270.01672	9.0
271.02472	14.8
272.02905	0.6
274.01025	0.5
284.03308	2.1
285.04041	17.6
286.04160	1.2
299.01984	17.0
299.12915	0.5
300.02509	1.1
309.03979	0.5
312.02734	1.2
313.03537	32.4
314.04221	6.5
315.05228	1.6
327.05081	1.6
328.02051	1.1
328.05859	5.9
329.06595	3.7
341.02908	0.4
343.04520	4.1
345.22833	0.5
354.44061	0.4
357.06143	0.5
377.14413	0.6
389.08408	0.4
415.05539	0.3
431.23294	0.5
461.07251	21.6
461.18018	1.8
462.07504	1.2
473.18097	1.5
476.09601	14.7
477.09735	1.1
491.11942	100.0
492.12292	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	491.1195
Annotation	6-Hydroxyluteolin 6,4'-dimethyl ether 7-glucoside
Peak:m/z	Relative Intensity
52.70332	0.5
57.03436	0.5
59.01377	4.2
61.98832	2.1
65.94125	0.4
69.32814	1.1
69.33215	3.0
71.01383	1.4
77.86242	0.4
85.02952	1.0
89.02448	0.9
93.03462	0.5
96.33099	0.5
98.20760	0.4
99.00894	0.5
101.02462	0.7
112.01629	0.5
125.02453	0.8
139.84093	0.4
151.00383	1.0
152.83833	0.4
160.01666	1.3
161.02480	0.7
173.04666	0.7
181.58878	0.5
185.02501	0.4
198.03134	2.2
200.01094	0.9
201.01932	0.5
202.02715	2.4
214.02797	1.3
226.02739	7.5
227.03438	1.4
242.02190	4.5
243.02817	0.6
256.03622	0.7
257.04541	1.0
268.03839	1.3
270.01678	23.2
271.02420	3.0
274.01245	0.9
281.04578	4.7
282.05252	4.1
284.03336	2.2
285.04028	60.4
286.04312	3.2
297.03952	1.5
298.04855	0.7
299.01962	8.3
299.05511	2.0
300.02554	1.0
309.04053	4.0
311.05609	1.3
312.02890	0.8
313.03528	100.0
314.04218	19.6
315.04977	1.6
327.05066	8.9
328.05844	46.6
329.06638	69.4
330.06961	3.3
351.08832	0.5
371.07669	5.5
376.99121	0.5
431.22781	0.7
473.18427	0.5
474.94821	0.5
483.71304	0.5
491.11942	94.5
492.12271	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
59.01361	0.4
69.23549	3.8
71.05023	1.3
81.11544	0.4
87.04514	35.7
88.04861	0.6
99.76543	0.4
101.37212	0.4
111.08174	0.7
128.78877	0.4
131.03508	0.6
139.11301	0.5
204.83517	0.4
212.92436	0.4
223.08760	0.4
330.22806	0.4
357.31674	6.2
383.29446	2.0
401.30563	32.6
402.30869	2.9
409.34756	0.9
419.31628	1.2
427.35764	12.6
428.36203	1.0
445.36948	3.2
471.34921	0.8
489.35837	100.0
490.36163	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	491.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60505	0.6
56.62659	0.6
57.03448	3.0
59.01378	26.2
60.99308	1.5
61.98824	4.3
63.14548	0.6
67.01885	4.9
67.50142	0.5
69.03471	1.4
69.33496	4.2
71.01385	13.7
72.52835	0.6
72.99333	1.0
73.02954	2.4
75.00880	1.7
76.46846	0.6
81.03463	1.4
83.01421	1.1
83.05029	0.7
84.46379	0.5
85.02960	5.2
86.69226	0.6
87.00881	6.2
88.98804	3.4
89.02431	6.5
93.02866	1.5
93.03458	29.0
97.02967	0.6
99.00880	1.2
101.02451	5.9
103.00395	2.0
109.02959	2.4
111.00889	2.7
111.04513	5.6
113.02449	4.6
119.03516	2.2
125.02441	0.7
127.04063	0.6
129.01945	2.0
131.03485	0.8
135.02994	0.9
137.02452	6.5
139.11299	1.0
143.03534	0.6
145.06573	1.5
149.04482	0.7
151.04063	0.9
155.03500	4.6
155.04958	1.5
158.03778	0.7
159.03250	1.0
159.04494	5.8
161.04538	3.9
163.11229	0.7
167.05019	1.2
172.05402	0.9
173.04549	100.0
173.05937	4.6
174.04881	2.3
175.04079	0.9
179.05602	2.0
182.03716	2.8
183.04506	31.9
183.10236	1.7
184.04810	0.9
185.06015	1.1
191.05597	3.0
199.04018	1.5
200.04805	1.5
200.89510	0.6
201.05576	38.8
202.05948	2.1
211.03999	42.0
212.04399	2.6
227.03511	4.2
228.04160	3.1
229.05032	5.5
241.05138	0.7
243.12387	2.9
245.04518	15.7
255.03041	0.8
269.17645	1.7
271.02356	1.2
273.04031	95.3
274.04385	5.1
287.09305	0.8
300.02783	3.4
313.11124	0.9
315.05109	6.4
317.02921	4.6
326.11688	0.8
341.14200	1.2
344.12585	2.1
349.90967	0.7
359.14987	4.9
359.20673	1.7
375.16534	5.0
431.22888	7.9
447.09253	3.1
490.30176	1.4
491.08481	10.4
491.18924	9.3
491.25082	2.1
491.30765	0.8
492.19910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	1.0
57.03548	0.6
59.01216	2.7
59.01550	2.5
61.98675	1.3
61.99005	1.0
64.93741	0.4
71.01249	0.9
71.01570	0.5
71.53047	0.5
71.53474	0.7
85.02836	0.8
89.02299	0.8
101.02296	0.8
135.04346	1.1
139.11127	0.5
179.03203	2.0
185.11584	1.8
243.06477	0.6
296.44427	0.5
297.24164	1.0
309.24301	1.1
311.22278	1.2
325.23871	0.8
327.25357	12.0
328.25912	1.0
339.25348	2.6
355.24814	0.9
356.68283	0.5
357.26447	100.0
358.26807	6.5
453.53540	0.5
458.68298	0.6
489.21072	0.7
489.31024	16.3
490.31183	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.3
59.01373	0.6
61.98813	0.4
65.83508	0.4
69.23859	2.0
69.24284	1.4
69.80676	0.3
71.05010	0.4
78.98604	0.3
79.08524	0.4
85.02953	0.8
85.06606	0.5
87.04514	12.0
95.05025	0.9
98.19889	0.9
101.06081	6.4
108.62635	0.4
195.76306	0.4
254.08675	0.4
313.25330	2.6
325.25580	0.5
329.28464	1.2
341.28568	1.4
353.28458	1.8
355.26285	0.7
357.31735	2.6
359.33328	1.1
369.31818	2.0
370.32162	0.5
371.29443	3.7
385.31094	2.7
386.31363	0.5
387.32730	4.3
393.31870	0.8
401.34329	4.6
402.34351	0.5
409.34836	0.6
427.35913	1.4
429.33835	0.8
445.36804	12.1
446.37213	0.9
489.35864	100.0
490.36191	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	489.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23908	0.6
54.65582	0.7
55.01883	3.7
57.03448	2.5
58.00606	1.0
59.01379	94.9
60.01748	0.6
61.98836	5.2
68.88731	0.7
69.03098	0.8
69.03432	0.9
70.26633	0.6
71.01381	48.8
72.99315	2.9
73.02944	26.4
75.00880	1.9
77.78554	0.8
78.33376	0.6
79.06314	0.7
83.01389	5.4
85.02950	19.7
87.00859	3.7
88.98808	3.4
89.02441	16.9
93.03474	1.6
95.01397	4.4
97.02959	1.9
98.20700	1.2
99.00879	21.7
101.02442	33.6
111.00884	1.4
112.01675	0.7
113.02453	23.6
117.48830	0.7
119.03526	3.5
119.05018	0.8
120.62226	0.7
121.02959	4.0
125.02449	3.4
129.01920	2.7
131.03494	4.6
137.02466	1.2
143.03522	3.8
149.04518	4.4
153.01912	0.8
155.03537	0.9
159.02977	3.6
161.04549	17.1
163.03966	1.0
165.12933	1.0
173.04561	2.4
183.13847	0.9
191.05582	3.5
197.11809	0.7
203.05637	1.1
209.11867	0.7
227.12886	1.1
297.17157	1.4
309.20718	0.9
315.18152	14.9
316.18433	1.6
327.21887	3.3
357.19141	3.3
371.24274	1.0
385.50418	0.8
429.21100	4.1
447.22345	45.0
448.22549	3.8
461.53696	0.7
489.23218	100.0
490.23639	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	489.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38718	0.4
55.01886	2.8
57.03445	2.5
58.00597	1.0
59.01380	100.0
60.01735	0.7
64.88965	0.5
69.03447	1.6
69.72302	1.6
69.72714	1.1
71.01381	46.5
72.99316	1.3
73.02945	25.4
75.00869	1.4
81.03455	0.7
83.01391	6.2
85.02952	22.2
87.00862	2.4
89.02444	13.9
89.03003	0.5
95.01393	3.4
95.01923	0.4
97.02957	2.1
97.30299	0.5
98.19942	0.4
99.00882	15.6
99.04528	0.6
101.02441	26.9
111.00890	1.9
112.01678	0.6
113.02451	20.9
118.98129	0.5
119.03502	2.0
125.02442	2.0
129.01921	1.4
131.03528	3.1
143.03488	3.1
149.04568	1.1
153.12848	0.7
159.02974	4.4
161.04547	15.6
176.73709	0.5
184.72495	0.5
189.01665	0.5
191.05661	1.3
201.04056	1.8
201.60866	0.6
203.05573	0.7
249.15117	0.7
277.19165	0.5
297.17175	1.5
315.18115	17.0
316.18393	1.2
357.19177	3.1
370.95483	0.5
429.21255	2.1
447.22333	48.3
448.22644	4.2
489.23383	84.2
490.23871	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	489.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.5
58.45442	0.5
58.94318	0.5
59.01383	9.4
59.93147	0.5
61.98836	2.7
64.33186	0.5
69.11652	0.6
71.01382	3.9
71.53072	0.9
71.99448	0.5
73.02961	4.8
75.00851	0.6
85.02950	2.5
87.00890	1.3
88.98764	0.8
89.02446	7.1
93.03479	1.4
95.05032	2.5
97.06581	0.5
98.94682	0.5
99.92574	1.5
101.02448	2.6
101.14995	0.6
103.04025	0.9
105.56762	0.7
109.00137	0.6
113.02474	1.1
116.92863	21.4
117.01897	0.7
118.98131	0.6
119.05000	1.5
119.88084	0.5
125.02447	2.4
131.03514	2.7
137.02449	1.1
145.02925	0.9
147.57198	0.5
149.04553	18.3
155.30475	0.6
161.04533	1.1
161.09654	0.7
163.04059	1.4
163.11299	6.9
181.12343	23.4
182.12553	1.1
200.04593	0.6
207.10262	1.1
209.11526	0.8
217.10925	0.9
222.61836	0.6
225.11314	100.0
226.11655	3.7
226.74362	0.5
254.78406	0.6
267.16122	1.0
285.03989	1.3
294.13422	0.6
339.14301	0.8
343.21210	0.6
357.15524	42.9
358.15802	1.8
489.19724	42.0
489.26273	1.8
490.20178	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01953	0.7
57.03540	0.6
59.01162	5.2
59.01497	16.6
61.98929	0.8
69.03545	0.4
69.73112	1.1
69.73521	1.1
71.01077	1.3
71.01517	6.6
72.99395	0.7
73.02624	0.8
73.03085	4.4
75.00981	0.7
83.01527	1.0
84.02756	0.4
85.03090	3.2
87.00552	0.3
87.01029	1.2
88.98946	1.2
89.01992	0.7
89.02587	5.6
95.01492	0.7
97.03048	0.6
99.00325	0.8
99.01027	9.7
101.01875	0.5
101.02592	5.8
113.01722	0.7
113.02592	4.2
119.03615	0.9
125.02590	1.0
129.02089	0.4
131.03662	1.0
131.97490	0.4
143.03548	0.7
149.04564	4.1
155.03458	0.4
155.22543	0.4
159.02995	0.3
161.04599	2.9
181.06720	1.5
183.14040	1.0
191.05634	4.6
197.06155	0.7
198.06964	1.4
203.05698	1.3
209.06216	0.4
225.05577	34.0
226.06264	6.0
233.06761	0.7
241.08707	100.0
242.09047	5.5
309.20840	0.8
315.18188	2.5
327.21545	0.7
357.18961	0.6
371.24365	2.6
385.12460	0.9
403.13608	0.8
425.32721	0.4
429.20554	0.8
445.14410	1.6
447.22318	5.8
448.22421	0.6
489.22668	17.3
490.22986	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	489.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.6
64.35824	0.9
71.17883	0.9
71.18224	1.1
80.77340	0.8
85.02946	19.1
87.00880	25.7
87.01387	1.7
90.94788	0.7
96.12182	0.8
103.04012	1.6
108.32564	0.8
117.32349	0.8
129.01964	7.1
147.02994	100.0
148.03319	2.1
168.72638	1.0
191.05608	1.2
271.41217	0.8
426.89075	0.8
436.57114	0.9
480.72107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18388	0.7
57.03451	2.0
59.01385	8.9
59.94880	0.6
61.98840	2.3
69.43214	4.8
71.01383	4.0
73.02936	4.9
75.00853	1.0
81.03476	0.7
85.02953	1.8
87.00864	0.8
89.02444	6.9
92.39104	0.6
93.03464	1.2
95.05021	2.7
99.92577	1.1
101.02441	2.8
113.02447	1.1
116.92861	12.0
119.05013	1.9
125.02511	0.9
129.01889	0.7
131.03522	2.2
137.02478	0.6
142.72974	0.7
143.03418	0.8
149.04555	15.9
163.04028	1.8
163.11298	6.1
173.04567	0.7
179.05411	0.7
181.12338	21.8
207.10278	1.4
209.08324	0.8
225.11313	100.0
226.11700	3.2
267.15869	1.0
285.04056	1.7
339.14325	1.0
343.21182	0.9
357.15515	42.6
358.15942	1.7
453.17630	0.7
489.19705	43.3
489.26395	1.8
490.19867	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	489.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01373	0.9
67.01560	0.2
71.01389	0.5
71.53677	0.4
73.02945	6.1
85.02977	0.2
87.44256	0.3
89.02447	0.5
99.00892	1.0
99.92583	8.3
116.92860	100.0
117.01940	13.8
117.92879	4.2
125.02426	0.4
128.87631	0.2
149.04562	0.7
165.09177	0.6
181.12320	1.4
209.08168	3.6
210.08351	0.2
225.11336	3.4
259.77731	0.2
267.06458	0.2
269.72708	0.2
284.03345	0.2
285.03976	0.3
285.21884	0.3
343.21426	0.4
357.15491	1.9
370.85168	0.2
371.13577	0.5
489.19003	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	489.1031
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.92043	0.2
54.61782	0.2
57.03445	1.0
57.34911	0.1
59.01377	2.3
63.02402	0.4
65.00336	0.6
71.53529	0.2
75.00853	0.2
83.01389	0.5
85.02946	0.3
87.00880	0.4
88.98799	0.3
89.02460	0.4
91.08955	0.2
91.60541	0.2
93.03465	0.8
101.02469	0.3
107.01390	1.3
108.02162	0.2
109.02957	0.6
113.02419	0.3
117.03495	0.3
120.99671	1.7
123.04510	0.6
125.02439	1.4
132.02132	1.4
135.00874	1.5
135.04543	0.2
137.02463	0.3
143.05011	0.4
147.04651	0.2
151.00368	2.0
152.00803	0.2
152.03506	0.3
159.04509	0.4
163.00375	1.3
164.01128	0.5
165.01993	0.2
167.03497	1.8
169.01501	0.3
169.06638	0.3
171.04510	0.4
177.01920	0.4
178.99893	0.2
183.04573	0.8
185.02483	0.3
185.06111	1.1
187.03986	1.2
189.05516	0.3
191.05397	0.2
195.04506	0.4
197.06084	0.4
199.04002	0.7
200.04836	0.4
201.05502	0.3
207.02975	0.2
211.04004	1.8
213.05479	0.8
214.02654	0.2
223.04044	0.2
227.03487	26.4
228.03889	1.5
229.05026	3.9
239.03453	1.1
240.04161	0.2
241.04997	0.6
243.03027	0.2
243.06554	0.2
255.02975	61.4
256.03503	5.3
257.04550	3.1
267.02975	0.4
267.15997	0.4
269.04376	0.2
277.04779	0.2
280.56958	0.2
283.02466	1.0
284.03244	100.0
285.03964	34.0
286.04446	1.8
289.07120	1.7
315.05246	0.2
327.05020	0.8
343.21329	0.5
357.06229	0.2
429.08026	0.4
447.09198	2.4
451.10129	0.2
489.10358	61.8
490.10718	5.6
490.17029	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41396	1.1
57.03440	1.6
59.01388	8.1
61.98819	2.6
68.99586	1.8
71.01369	5.3
71.52970	1.6
73.02947	4.6
77.26402	0.9
85.02947	2.4
87.00880	6.0
89.02452	21.2
97.93154	1.8
101.02479	1.9
103.04012	1.2
107.05006	0.9
109.44011	0.9
112.98589	1.2
114.93413	10.2
118.59020	1.2
124.24834	0.9
125.02434	1.8
131.03514	8.0
133.10237	2.1
135.03003	1.4
135.11797	18.7
149.04565	62.0
150.04861	1.2
161.05724	0.9
161.09743	4.7
162.14246	0.9
179.10785	100.0
180.11064	2.8
183.02974	2.8
205.08694	2.1
209.08183	2.8
223.09760	35.8
224.10072	1.3
311.14874	1.1
337.12805	2.4
340.68536	1.0
355.13937	35.1
356.14334	2.2
487.18182	65.4
488.18439	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	487.3055
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
59.01379	3.4
61.98828	1.2
66.49136	0.6
69.30339	1.7
69.30745	3.1
72.03252	0.6
81.63571	0.6
85.02953	1.8
87.00882	1.0
89.02415	1.4
96.95977	0.8
98.20688	1.4
101.43405	0.6
117.45975	0.6
219.03374	0.6
243.35205	0.7
257.83188	0.6
322.90170	0.6
327.66907	0.7
451.32944	1.2
487.30548	100.0
488.30930	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	488.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.4
61.98829	100.0
62.21330	0.4
66.26142	0.4
112.25748	0.4
113.37925	0.4
118.22425	0.4
137.42999	0.4
165.29103	0.4
185.05807	0.5
250.61740	0.4
253.21806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.0
59.01380	100.0
60.07323	2.2
69.44038	6.7
69.44441	10.4
71.01381	32.3
73.02927	19.3
75.00871	2.5
80.91860	2.1
83.01386	3.3
85.02950	16.0
89.02448	21.5
95.01384	3.8
98.19879	2.7
99.00855	11.6
100.14578	3.3
101.02443	24.8
113.02445	15.9
115.84451	2.3
119.49841	2.4
131.03508	6.0
143.03453	2.9
149.04550	52.0
151.03981	8.2
159.02982	5.5
161.04555	18.3
182.39532	2.3
203.07118	2.3
229.78462	2.4
251.09413	3.1
269.10263	27.6
311.11349	9.0
401.14468	44.1
426.35620	2.8
443.15524	80.2
444.15799	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.6
59.01382	11.4
61.98832	5.6
66.53181	0.8
69.03422	1.6
71.01385	6.8
71.53664	1.5
73.02949	6.7
85.02946	5.3
87.00869	2.9
89.02450	21.3
96.96000	3.7
101.02438	1.0
102.11864	0.9
103.04036	1.3
103.72372	0.9
113.00417	0.9
113.02455	1.8
121.02932	1.0
125.02458	1.3
129.01970	3.8
129.32370	0.9
131.03513	7.3
133.10229	1.5
135.11818	17.7
147.02945	0.9
149.04562	85.9
150.04817	1.2
158.46759	1.0
161.09688	4.4
163.04036	1.0
164.23607	0.8
179.10780	100.0
180.11058	4.9
191.01965	1.3
191.05615	1.3
205.08688	1.3
223.09761	32.7
224.10091	1.2
355.13980	44.8
356.14212	2.1
424.70007	1.2
487.18207	62.2
488.18674	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05568	0.7
57.03451	1.4
59.01372	3.1
65.00314	0.7
69.25854	0.7
69.50473	1.5
69.50890	3.1
71.01376	3.6
72.60752	0.7
73.02946	0.9
83.01381	1.1
85.02937	2.9
87.00890	2.1
89.02445	1.8
93.03465	1.6
93.85936	0.7
96.96004	2.0
98.95585	3.0
99.00888	3.5
99.92572	4.7
101.02414	2.0
109.02912	0.8
111.00876	1.7
111.04510	1.8
113.02444	1.2
115.92087	3.2
116.92857	5.3
119.05017	1.2
123.04554	1.2
125.02454	9.5
133.02963	1.6
134.03745	57.9
135.04465	0.7
137.02440	7.6
139.03999	2.1
145.02901	1.1
149.02502	0.9
149.06079	29.6
150.03255	1.0
150.06398	1.2
151.00348	1.6
152.01196	0.6
155.03468	1.4
158.34424	0.7
163.04008	0.9
165.01877	0.7
173.04562	3.9
173.05882	0.8
177.05617	0.8
178.02704	29.8
178.99837	0.9
191.05498	1.4
191.07155	1.5
193.05049	52.6
194.05403	2.3
201.05498	0.9
203.03427	0.8
215.07072	1.2
235.06087	1.5
243.06639	1.6
259.06067	11.4
283.06076	0.8
287.05576	18.8
288.05893	1.1
289.06570	0.9
329.09076	0.9
337.09433	1.3
355.10507	1.3
421.11649	1.0
449.10934	3.0
451.06549	1.7
487.14612	100.0
488.15015	7.0
511.33640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96921	0.4
50.99065	0.4
51.49994	0.5
57.59777	0.4
61.98806	0.6
69.29564	1.0
69.29963	3.4
72.77391	0.5
78.71915	0.4
79.03260	0.4
88.04041	52.6
89.04416	0.5
93.92139	0.4
147.08192	2.0
149.09732	1.5
153.12712	0.4
161.09753	1.0
161.95258	0.5
163.10075	0.5
163.11269	2.9
187.11296	2.8
197.95294	0.4
279.13812	0.7
280.14572	1.2
307.17252	0.8
309.22256	2.7
322.19232	0.6
337.21722	100.0
338.22086	7.5
486.26837	17.0
487.27255	1.8
487.33920	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.9
59.33635	0.6
61.98831	8.2
71.01371	2.2
71.53719	0.7
73.02946	0.7
75.25659	0.5
80.91673	1.1
85.02964	1.0
87.00881	3.3
88.98801	1.1
89.02441	0.9
101.02439	1.3
113.02457	0.7
117.86272	0.6
132.38068	0.7
141.06689	0.6
147.29742	0.6
163.04140	0.7
196.05290	15.2
209.11768	2.3
224.04768	29.5
225.05276	0.7
239.07123	100.0
240.07460	5.8
247.58403	1.1
251.16426	0.6
307.19098	2.1
365.62939	1.8
366.12787	1.0
461.68948	0.9
462.19006	0.8
470.69159	1.3
487.24628	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	486.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92800	0.7
55.31076	0.7
59.01380	42.4
71.01382	31.7
71.01781	1.3
72.99295	1.7
73.02939	1.2
82.02983	1.4
83.01357	1.3
85.02934	3.3
87.00878	1.5
89.02439	46.3
90.02789	0.9
94.50307	0.8
95.01391	1.0
101.02441	16.9
107.71725	0.8
113.02444	14.3
119.03497	15.8
126.01980	2.1
131.03528	1.6
142.05060	1.1
143.03462	4.0
144.03006	5.5
144.06662	34.4
145.01378	2.7
145.06137	1.5
149.04517	2.2
161.04541	4.3
179.05614	20.2
257.69952	0.9
341.10867	100.0
342.11279	4.2
343.81909	0.9
348.31247	0.8
493.48645	1.0
506.09164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12354	0.3
59.01381	7.7
60.01688	0.4
61.98832	100.0
69.41783	0.8
69.42190	1.5
71.01384	1.8
71.41029	0.3
72.99323	0.4
73.02951	0.7
74.02468	0.8
78.11550	0.3
78.11993	0.4
85.02943	0.9
86.02496	0.3
87.00876	2.3
89.02460	1.5
93.03484	1.0
96.69093	0.3
99.00886	0.5
101.02468	1.1
111.04520	0.4
113.02472	1.0
117.55501	0.3
119.05045	1.4
125.02470	1.0
128.03598	1.2
129.18889	0.3
137.02484	0.7
137.32434	0.3
143.04645	1.2
145.03001	0.4
148.75238	0.3
163.04071	1.2
181.16040	0.5
191.05605	0.8
193.06636	1.9
210.09111	0.3
260.74084	0.3
272.09067	0.8
307.08066	0.7
308.07306	2.2
325.93866	0.3
373.18607	0.4
406.21747	0.7
448.22562	0.4
456.20154	1.2
456.70056	0.4
465.20737	0.6
470.34094	0.4
486.21359	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.1
61.98822	7.5
67.01879	0.8
69.49359	5.6
71.01367	3.1
73.02944	1.8
81.03444	1.1
83.01382	1.1
83.05021	1.6
85.02929	1.9
87.00852	2.2
88.98781	0.9
93.03455	5.7
93.86893	0.9
101.02431	1.1
102.61464	0.7
111.04516	4.8
113.02391	0.8
121.02932	0.9
125.02437	1.2
127.04051	0.8
136.05243	1.1
137.02451	1.2
155.03516	7.2
158.38637	0.9
167.14394	2.2
173.04529	15.7
191.05609	2.4
223.20667	2.0
230.06592	0.7
249.18617	4.8
249.20793	0.9
250.18990	1.2
267.19635	100.0
268.19882	5.4
275.16504	8.2
293.14221	1.7
293.17575	35.6
294.17914	2.0
311.18625	85.2
312.18970	5.3
403.55975	0.7
449.23776	3.5
455.20990	1.5
485.23901	55.6
486.24274	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	485.2754
Annotation	10,11-Dihydro-12-hydroxynerolidol 3-O-beta-D-2'-acetylglucoside
Peak:m/z	Relative Intensity
57.54803	0.4
59.01381	100.0
60.01702	0.7
61.98836	0.5
71.00138	0.9
71.01398	0.4
80.35690	0.4
82.71944	0.4
85.02981	0.4
111.64777	0.4
170.57954	0.4
177.87193	0.4
295.27612	0.5
338.30652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
57.41728	0.2
59.01377	3.6
61.98832	1.3
65.00330	0.4
69.03453	0.2
71.01379	0.7
73.02953	0.3
81.03447	2.4
83.01366	0.8
85.02951	0.3
87.00877	0.3
93.79470	0.2
97.02943	0.2
98.19894	0.6
99.08159	0.6
101.02454	0.3
101.06090	0.4
107.01395	0.3
113.02455	0.7
123.08160	2.1
125.02457	3.8
125.06081	3.3
136.05273	0.5
137.05992	0.3
141.09235	0.5
147.08174	0.7
148.08487	0.2
149.02478	0.5
149.71512	0.2
151.00360	1.0
160.22871	0.2
165.09200	19.0
166.09532	0.7
167.07010	0.2
191.03535	0.2
191.07123	1.5
205.08694	0.4
209.08177	100.0
210.08502	3.8
223.09619	0.2
229.24442	0.2
233.08147	0.4
251.09299	0.9
253.87030	0.2
266.36829	0.2
270.46426	0.2
285.07700	0.3
369.19220	0.5
371.13446	12.1
372.13782	0.8
399.24127	0.2
404.50693	0.2
485.16605	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	485.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03442	2.6
59.01381	31.3
59.80710	0.4
60.01691	0.4
61.98831	0.4
69.17451	1.1
69.17868	2.6
71.01389	3.2
72.79678	0.4
75.00876	0.9
83.01389	0.6
83.05029	0.5
85.02951	15.2
87.00880	0.9
89.02435	2.1
93.03463	0.9
95.01370	0.6
97.02945	0.4
101.02442	2.5
102.93243	0.4
107.05004	1.5
109.02943	1.1
111.00868	0.9
111.04501	1.1
113.02450	3.1
113.06131	0.4
115.54760	0.4
117.03436	0.8
119.03502	1.0
119.08649	0.6
121.06604	0.4
123.04521	0.7
125.02425	2.2
125.06086	2.9
129.01930	1.6
131.03491	0.3
134.03778	0.4
135.08105	0.5
136.05327	2.1
137.02458	0.6
139.07652	0.7
143.03505	0.6
145.06654	0.3
147.03004	2.3
148.05263	0.4
149.02463	0.4
149.06100	2.5
151.07663	2.6
152.08434	1.9
153.09169	0.6
159.11804	0.4
161.04562	1.0
161.09657	0.8
163.07680	0.7
173.04530	0.6
175.07657	0.5
180.80476	0.4
182.01979	0.3
185.09694	0.7
186.10480	0.8
188.08289	0.6
189.05548	0.4
189.09132	1.2
191.01985	5.9
193.01370	0.6
195.91847	0.3
196.64331	0.3
201.11009	0.3
201.12845	8.2
203.10782	4.3
204.11543	16.4
205.11868	0.8
209.03024	4.2
219.13889	18.5
220.14236	0.5
227.10710	0.4
228.11577	0.5
243.13965	0.8
245.11807	2.5
263.12869	100.0
264.13269	4.8
269.04404	0.5
279.44531	0.4
284.03375	0.5
285.04092	0.8
287.12875	3.2
288.13248	0.4
305.13940	4.3
354.35645	0.4
425.18338	1.0
446.88693	0.3
447.09119	1.0
449.10559	0.5
485.16861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72366	1.1
58.02970	8.2
59.01113	1.2
59.01373	5.2
61.98836	10.7
66.03504	2.1
69.56603	4.1
69.57011	2.6
71.01373	5.1
72.00887	1.2
74.02476	23.1
80.65219	1.1
81.04566	2.1
82.02979	2.5
85.02947	3.8
86.02493	8.7
86.99104	1.6
87.00872	2.1
87.05653	4.5
89.52657	1.2
97.04079	3.0
99.05654	16.6
101.02441	4.6
101.07158	2.5
102.05611	3.1
109.04076	3.1
111.05657	1.5
112.04032	2.2
113.02414	3.0
116.01765	2.0
123.04577	1.5
123.05618	1.7
123.08180	2.0
125.03543	2.6
127.05161	2.1
128.03539	49.3
131.04610	2.0
135.05644	3.7
137.07143	1.5
141.06680	4.5
143.04625	69.4
145.06207	3.0
146.04593	8.9
153.05583	2.4
153.06702	4.3
155.08235	1.3
157.20335	1.2
160.00751	21.3
161.04549	1.6
166.09824	2.8
167.04613	5.6
167.08235	1.7
171.04224	1.5
177.03346	7.5
179.04652	12.2
181.06155	2.2
185.05711	1.9
197.05595	2.9
210.08842	12.6
254.07831	24.7
272.08890	38.0
273.09216	1.5
288.06607	12.6
292.18338	1.5
306.07648	100.0
307.07874	4.0
332.18076	2.6
423.22351	1.9
424.22775	8.5
426.18054	1.5
447.22046	2.3
448.22656	3.8
484.20953	5.1
485.18774	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	485.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	5.9
67.01881	2.9
69.03434	1.6
71.01383	5.9
71.52367	1.9
71.52734	1.9
80.96527	4.8
85.02942	9.5
87.04510	3.4
89.02417	2.5
93.03451	22.7
93.83512	1.7
94.44503	1.5
96.96014	3.6
97.02966	3.0
97.43330	1.8
102.58998	1.7
108.21081	1.7
109.02949	3.6
110.09571	1.8
111.00879	2.3
111.04524	6.7
121.02954	2.4
131.03444	4.1
135.04517	65.1
137.02438	5.0
147.02983	1.7
155.03546	6.6
159.02980	2.2
161.02417	3.3
163.04005	2.1
173.04541	100.0
174.04926	3.7
179.03493	69.0
180.03902	2.4
191.05620	55.9
196.16148	1.9
263.51422	1.7
353.08740	87.3
354.09073	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	483.2003
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
52.67473	4.8
56.32507	5.6
57.03455	8.7
59.01378	57.5
61.35612	4.7
61.98829	73.8
70.84370	11.2
71.01382	37.4
73.02948	16.2
78.95885	30.3
83.01394	9.0
83.05019	5.2
85.02939	17.7
87.00871	16.3
89.02435	14.5
93.03452	23.8
96.96003	10.8
96.96933	8.1
99.00858	11.1
101.02438	27.6
111.00854	7.4
111.04483	7.2
113.02451	26.0
123.04496	6.3
125.02407	11.9
128.03653	5.5
131.15489	5.0
151.04005	6.5
152.99530	30.0
154.74600	5.2
155.03412	7.6
161.04604	10.1
163.07587	8.6
165.09187	5.9
173.04527	50.1
174.04784	11.6
175.05023	7.1
181.62466	5.7
203.03400	8.1
207.10173	6.4
249.14824	6.8
277.08380	5.4
285.03976	21.0
306.07718	6.4
309.17014	16.1
333.19168	23.2
341.92892	6.3
372.25113	6.6
447.22263	100.0
448.22955	9.0
483.05310	7.7
483.19562	79.8
483.32367	9.5
484.20132	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	484.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72366	1.1
58.02970	8.2
59.01113	1.2
59.01373	5.2
61.98836	10.7
66.03504	2.1
69.56603	4.1
69.57011	2.6
71.01373	5.1
72.00887	1.2
74.02476	23.1
80.65219	1.1
81.04566	2.1
82.02979	2.5
85.02947	3.8
86.02493	8.7
86.99104	1.6
87.00872	2.1
87.05653	4.5
89.52657	1.2
97.04079	3.0
99.05654	16.6
101.02441	4.6
101.07158	2.5
102.05611	3.1
109.04076	3.1
111.05657	1.5
112.04032	2.2
113.02414	3.0
116.01765	2.0
123.04577	1.5
123.05618	1.7
123.08180	2.0
125.03543	2.6
127.05161	2.1
128.03539	49.3
131.04610	2.0
135.05644	3.7
137.07143	1.5
141.06680	4.5
143.04625	69.4
145.06207	3.0
146.04593	8.9
153.05583	2.4
153.06702	4.3
155.08235	1.3
157.20335	1.2
160.00751	21.3
161.04549	1.6
166.09824	2.8
167.04613	5.6
167.08235	1.7
171.04224	1.5
177.03346	7.5
179.04652	12.2
181.06155	2.2
185.05711	1.9
197.05595	2.9
210.08842	12.6
254.07831	24.7
272.08890	38.0
273.09216	1.5
288.06607	12.6
292.18338	1.5
306.07648	100.0
307.07874	4.0
332.18076	2.6
423.22351	1.9
424.22775	8.5
426.18054	1.5
447.22046	2.3
448.22656	3.8
484.20953	5.1
485.18774	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	483.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30332	1.2
59.01375	19.9
61.51830	1.8
61.98505	1.6
61.98829	30.4
66.52608	1.4
69.33179	10.5
71.01392	20.4
71.45966	1.4
73.02944	8.6
78.95892	2.7
83.01394	2.2
85.02946	9.0
87.00879	4.9
89.02454	7.0
93.03452	4.8
95.01374	2.3
96.96014	3.5
99.00886	7.6
101.02446	14.6
108.02191	2.0
109.02948	3.2
111.00865	1.6
113.02442	10.9
119.03523	2.1
119.05033	2.1
120.05817	2.0
125.02435	3.5
128.03612	1.4
129.01990	1.7
131.03497	1.8
135.08168	5.7
136.05339	1.3
137.02452	2.0
143.04601	2.8
149.04498	1.9
149.99670	2.3
151.07639	2.5
152.01172	1.7
152.99635	2.4
153.01895	2.1
155.03502	1.3
159.02943	2.2
161.04585	7.3
163.03986	3.1
163.60725	1.3
173.04549	12.1
177.70370	1.3
191.05579	3.1
211.13277	1.4
215.35065	1.4
281.80420	1.5
285.04013	3.1
306.07587	1.9
309.20697	5.4
313.05612	7.8
315.18091	4.5
337.09305	4.6
421.11154	1.6
447.22342	100.0
448.22668	9.7
465.32141	1.9
483.19022	7.4
483.26270	2.6
483.33240	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.078
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.98059	0.6
59.01377	3.8
61.13876	0.6
61.98809	0.8
65.67242	0.6
67.01866	1.2
69.03455	0.7
71.00751	0.9
71.01386	4.7
72.99323	0.9
83.01395	1.2
85.02917	3.1
87.00893	0.9
89.02454	1.3
92.49304	0.6
93.03468	0.8
95.01386	0.9
96.96011	1.7
97.02950	0.8
101.02429	1.5
107.01390	6.3
111.00872	2.1
113.02438	2.0
119.05032	1.3
123.00877	5.1
124.01672	2.7
125.02447	54.2
126.02746	0.9
135.04529	1.3
139.00397	2.8
139.04013	0.8
140.01144	2.0
141.01901	0.8
149.02420	0.7
151.00380	4.1
153.02020	0.7
155.03484	0.6
163.04015	1.4
167.03481	0.8
168.00641	8.0
169.01424	73.4
170.01788	1.1
173.04527	3.7
174.04929	0.6
179.03488	0.8
191.01971	1.2
191.05623	2.8
193.01372	1.0
209.03015	2.4
211.02472	32.8
212.02776	1.0
241.03519	2.6
247.10007	0.6
271.04584	40.2
272.04816	1.7
287.07773	1.1
313.05627	12.4
314.06058	0.7
331.06726	9.6
332.07144	0.7
353.08774	1.1
439.08752	2.5
483.07767	100.0
484.08099	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	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13359	0.9
64.16138	0.8
71.28761	1.8
78.95901	46.7
94.26074	0.8
96.96965	3.7
111.39860	0.9
152.99583	87.6
153.99930	1.0
169.15852	0.8
171.00636	14.2
218.91597	0.8
227.03247	6.9
245.04306	61.7
253.21727	41.3
254.22131	2.2
292.96036	0.9
397.11151	1.0
450.63608	1.1
481.25693	100.0
482.26004	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	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68921	0.7
63.97942	0.6
71.29729	1.5
78.95905	39.1
88.34700	0.6
96.96969	3.0
152.99585	56.5
162.32289	0.6
171.00639	15.8
171.02100	0.8
184.41667	0.7
227.03242	3.3
240.58911	0.7
245.04305	100.0
246.04637	1.5
246.65907	0.8
253.21718	68.5
254.22043	3.0
343.08313	0.6
377.53506	0.6
481.25702	58.3
482.26169	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	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54642	0.2
57.03448	0.9
59.01377	1.9
60.99313	0.7
61.98830	11.4
65.94353	0.3
67.01900	4.4
69.03458	0.9
70.54176	0.8
71.01381	3.1
73.02952	0.3
75.00839	0.3
75.13216	0.3
78.95895	0.5
81.03471	0.7
83.05023	0.9
85.02951	1.1
87.00874	0.7
89.02441	0.3
93.03457	25.6
94.03783	0.5
97.06578	1.1
99.00880	0.3
104.37598	0.3
108.02175	0.4
109.02995	1.4
111.00867	0.8
111.04520	4.6
113.02474	0.6
117.83640	0.3
123.04509	0.7
125.02408	0.7
127.04015	0.6
128.75536	0.3
133.02975	1.5
134.03737	17.3
135.04553	1.8
137.02440	5.4
149.02420	0.3
152.10219	0.3
152.99590	1.2
153.05566	0.6
155.03493	4.4
163.03923	0.4
165.01936	0.3
173.04543	100.0
174.04872	2.3
177.01912	1.3
178.02695	4.1
179.03400	0.6
194.02190	0.4
231.10374	0.9
241.05374	0.3
257.08224	0.9
275.09235	1.8
307.11850	10.0
308.11926	0.5
319.11951	1.2
419.13028	0.6
449.14981	0.5
481.17279	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21128	0.6
59.01378	100.0
60.01740	0.6
61.95243	0.5
61.98829	35.1
62.98529	0.4
64.26044	0.5
69.17000	0.5
71.52745	0.5
109.02931	0.7
124.01723	0.6
125.02475	2.5
134.23322	0.5
135.32819	0.5
137.02448	0.7
142.69070	0.5
158.79399	0.5
165.01924	0.6
168.00717	1.5
182.00093	0.5
229.44444	0.6
282.98456	0.6
287.96448	0.6
481.17249	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	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63300	0.3
57.03451	1.5
59.01382	4.2
60.99305	0.3
61.98831	13.9
62.98524	0.3
63.02406	0.3
65.00313	0.4
65.03943	0.3
67.01891	4.4
69.03458	1.1
71.01379	4.0
71.05044	0.3
71.53717	0.3
73.02945	0.5
78.95921	0.3
81.03459	1.0
83.01385	0.5
83.05035	1.1
85.02966	1.5
87.00891	0.8
88.62006	0.3
89.02456	0.9
93.03461	25.7
94.03813	0.6
95.01387	0.3
96.96011	0.4
97.06627	0.3
99.00874	0.5
101.02459	1.0
106.04282	0.3
109.02950	1.0
111.00881	1.3
111.04531	4.6
113.02476	1.0
119.05042	0.4
121.02991	0.6
123.04547	0.7
123.08175	0.3
125.02460	1.0
127.04025	0.4
133.02965	3.2
134.03752	6.3
135.04550	1.3
137.02451	7.0
139.04013	1.0
140.55154	0.3
145.06558	0.6
149.02451	0.5
153.05539	0.9
155.03510	4.7
162.03169	0.4
163.04068	0.6
173.04550	100.0
174.04868	2.2
177.01950	3.9
178.02715	9.1
179.03484	1.0
189.09229	0.8
203.03552	0.9
204.04305	1.4
231.10243	0.6
233.08185	14.5
234.08508	0.7
249.14972	0.6
275.09296	3.2
289.18060	1.3
307.11874	2.3
421.28012	0.5
437.14532	8.6
438.15103	0.5
449.14764	1.7
481.08688	0.4
481.09784	0.5
481.17120	3.9
481.24323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.3
59.01369	8.5
61.90609	1.7
69.46992	10.6
71.01383	5.1
83.01392	1.9
85.02962	1.6
85.06583	13.2
86.26836	1.3
87.00876	28.4
87.12242	1.4
89.02467	3.4
96.96009	1.9
98.20761	1.7
101.02446	3.6
107.01380	4.9
109.02956	3.8
113.02438	3.9
113.06107	15.4
115.04018	35.4
117.05374	1.4
119.01300	1.6
123.78373	1.4
125.02446	22.5
126.90473	2.1
131.01268	1.5
131.07135	3.5
135.08116	1.7
137.02432	5.7
147.00874	3.7
151.00374	21.7
153.01923	11.6
153.09181	2.5
157.01422	2.3
157.05020	5.3
165.01962	3.3
167.03522	2.8
169.01414	4.6
174.88942	3.6
175.00351	22.1
175.02589	9.6
175.06104	100.0
177.01979	1.9
178.99864	8.9
181.01398	4.5
183.10240	2.3
187.43596	1.8
191.01921	1.8
191.03545	3.0
193.01430	45.6
215.03598	3.0
215.87621	1.6
218.63133	1.8
257.04538	3.5
259.15402	2.7
291.05060	2.5
301.03531	8.3
313.05621	2.3
319.04590	20.7
320.04913	1.6
341.05023	8.0
345.04651	1.9
421.20731	6.7
463.08896	9.3
481.08810	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	481.0989
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
51.09995	0.8
57.03431	3.7
59.01382	1.7
61.98812	1.0
63.02396	1.6
65.00324	5.5
71.01381	1.5
71.22327	1.2
81.03452	1.5
82.70524	0.8
83.01374	5.3
89.02439	1.1
93.03468	1.7
95.01398	1.8
99.06448	0.9
107.01388	10.6
108.01733	1.1
109.02979	7.0
119.01369	1.0
121.02943	2.2
122.28027	0.9
123.00870	1.5
125.02444	39.6
131.01363	2.7
137.02446	9.6
139.04031	4.4
139.27278	0.9
144.58452	0.8
147.00880	7.4
149.02408	3.2
151.00366	48.0
152.00943	1.8
153.01938	28.5
163.00371	1.6
163.04005	1.1
165.01944	8.4
167.03455	3.0
169.01477	1.3
169.12491	0.8
175.00352	45.3
177.01929	4.8
178.99864	19.1
180.00186	1.0
181.01443	13.2
185.02454	1.4
187.04012	1.6
191.03482	8.4
191.05327	1.6
193.01408	100.0
194.01686	4.1
195.02948	2.0
203.08200	1.3
205.05132	1.0
215.03493	5.7
229.01366	2.1
229.05017	1.8
233.04533	3.5
239.03578	1.1
243.02977	1.1
255.02704	1.0
256.03986	0.9
256.07465	1.3
257.04562	5.0
283.02444	3.1
291.05121	2.9
300.02780	1.5
301.03543	19.0
302.03775	1.2
313.05603	2.5
319.04562	45.3
320.04956	2.3
341.05099	22.1
342.05518	1.5
343.06818	4.7
421.20975	1.8
463.08856	19.8
463.15356	1.2
464.08884	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	18.4
59.01379	9.6
60.10063	1.7
61.98827	15.2
63.02390	2.3
63.21301	1.5
63.46337	1.4
65.00325	3.0
71.01380	6.7
71.52239	2.8
73.02917	1.5
75.00880	1.8
83.01392	9.5
85.02951	5.9
87.00864	1.8
89.02454	3.0
93.03465	4.8
95.01378	2.7
97.02999	1.8
101.02424	4.8
107.01363	7.8
109.02962	6.0
110.03217	1.5
111.00894	2.4
113.02455	3.6
119.05009	2.8
121.02950	4.7
123.00862	7.5
123.04536	2.2
123.29185	1.8
124.01690	7.8
125.02449	100.0
126.02718	2.7
129.01976	2.9
130.70824	1.7
137.02443	19.1
138.03261	2.6
138.05591	1.7
139.00504	1.7
139.03993	7.5
149.42258	1.6
151.00372	33.5
151.03983	2.2
152.01155	11.2
153.01930	21.3
155.03487	3.8
157.08554	2.4
157.92749	1.6
163.00397	2.4
163.03996	3.5
164.01122	2.7
164.07167	3.3
165.01944	24.4
166.02626	3.1
167.03484	24.9
169.01410	3.2
173.04526	3.2
175.00345	6.7
176.01204	1.8
177.01971	4.0
177.94699	1.6
178.99860	37.5
181.01453	4.7
187.04016	3.4
190.02737	2.7
190.99814	2.0
191.03491	15.0
191.05357	3.4
192.00699	3.5
193.01407	98.6
194.01775	3.6
201.05545	2.2
205.05045	4.0
209.04572	3.1
211.03908	1.7
213.05499	2.2
214.02670	1.6
215.03488	6.7
227.03528	3.8
229.04948	2.8
231.02982	2.7
232.03857	2.9
233.04538	10.3
253.09996	1.9
255.03062	13.4
256.03717	5.0
257.04523	6.0
275.05630	10.1
283.02478	47.7
284.03009	3.0
291.04913	2.1
300.02719	2.3
301.03461	13.1
308.06021	1.9
319.04538	4.9
326.12259	2.4
327.07172	2.5
329.08804	3.3
333.15408	7.9
337.05405	2.8
355.06723	47.8
356.07117	2.3
421.21054	2.9
433.16318	2.4
437.10904	3.5
453.10315	5.9
463.08820	78.0
463.17120	4.5
464.09164	7.1
481.09875	91.8
481.18341	9.3
482.10129	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	481.0987
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
50.46842	1.1
50.62272	1.1
57.03199	1.3
57.03450	15.5
59.01376	6.7
61.98827	5.2
63.02382	2.9
65.00308	5.0
68.99810	1.0
71.01374	5.6
71.52048	1.0
71.52397	1.0
73.02930	1.9
73.92856	1.0
75.00863	4.8
81.03435	2.0
83.01394	8.4
83.01802	1.3
85.02944	3.1
87.00848	1.2
89.02440	4.3
93.03476	2.4
95.01383	2.2
99.00874	1.7
101.02435	2.6
101.09608	1.1
107.01387	9.0
109.02946	6.8
111.00941	1.1
113.02419	1.6
119.04997	2.8
121.02950	3.7
123.00898	5.8
124.01662	6.6
125.02450	100.0
126.02744	1.7
128.09531	1.1
135.04480	1.1
137.02452	15.0
139.04015	8.2
145.02936	2.4
149.02405	3.6
149.04564	1.4
151.00360	32.4
151.01569	2.0
151.03958	2.3
152.01207	8.5
153.01933	18.8
155.03525	3.3
159.04497	2.0
163.00339	3.4
163.04048	4.9
164.01180	1.7
165.01936	25.0
166.02641	1.9
167.03477	26.3
169.01396	3.2
173.04532	2.0
175.00404	5.8
175.03908	1.4
176.01044	2.3
177.01945	3.9
178.99863	29.5
181.01399	3.3
183.04460	1.8
186.03181	1.2
187.03998	3.0
189.01866	3.1
189.05539	1.7
190.02661	3.7
191.03531	14.4
191.05247	2.0
192.00603	3.2
193.01413	90.0
194.01724	2.4
205.04984	3.7
207.02844	1.7
207.06689	1.1
209.04620	2.0
211.03969	3.0
213.05396	1.4
214.02621	1.7
215.03459	5.4
217.01433	1.4
227.03452	4.5
229.05037	2.6
231.02936	1.5
232.03693	3.3
233.04543	9.5
239.03458	2.8
247.06056	2.4
255.03003	14.1
256.03729	3.6
257.04568	7.0
273.03891	1.4
274.04898	2.2
275.05627	8.1
283.02463	39.8
284.02893	2.7
300.02676	3.7
301.03577	12.8
319.04626	6.0
319.07883	1.1
327.07111	3.3
329.08746	2.4
353.08698	1.7
355.06699	43.0
356.06979	2.0
357.14346	1.0
395.09882	1.6
419.09833	2.2
421.20728	2.5
437.10837	3.7
453.10455	7.4
463.08807	76.1
464.09106	6.0
481.09811	76.3
482.09924	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27843	1.1
57.03448	15.9
59.01384	8.1
61.98828	2.4
63.02390	3.1
63.54825	1.2
65.00322	3.7
71.01385	4.1
71.03639	1.4
71.03976	2.6
74.54785	1.2
75.00874	4.3
77.41686	1.2
80.29755	1.1
81.03452	1.2
83.01387	9.4
85.02949	2.3
87.00881	1.3
89.02452	3.3
93.03462	2.7
95.01383	3.2
96.96008	1.5
101.02462	3.8
107.01394	7.1
109.02946	4.9
110.03536	1.3
111.00883	1.5
111.04530	1.3
119.05019	2.5
121.02937	3.7
123.00883	6.5
124.01677	4.8
125.02448	100.0
126.02797	2.4
135.04538	2.9
137.02457	19.6
139.04027	8.0
145.02943	1.9
149.02435	3.9
149.04529	1.8
151.00377	34.4
151.01591	2.4
151.03951	1.3
152.01190	7.5
153.01941	16.4
155.03534	4.7
160.89229	1.9
163.00362	3.2
163.04015	5.3
165.01941	21.6
165.05559	1.5
166.02602	1.9
167.03488	21.2
168.03850	1.5
169.01414	3.1
173.04495	1.9
175.00354	5.8
175.04019	1.4
176.01167	2.4
177.01953	4.3
178.99863	33.4
181.01401	4.0
183.04585	1.3
185.02269	1.1
187.04037	3.1
189.01884	1.5
190.02728	3.3
191.03497	13.1
192.00670	3.7
193.01424	93.0
194.01698	4.0
201.05550	1.5
205.05031	3.4
207.03033	1.6
209.00899	1.4
211.03996	3.4
213.05576	1.4
215.03542	6.5
227.03506	5.0
229.05096	4.0
231.03143	1.3
232.03755	3.7
233.04518	8.2
239.03551	2.6
247.06108	2.0
255.02966	14.1
256.03717	3.3
257.04498	5.4
273.04059	2.0
274.04858	1.4
275.05536	8.1
283.02472	39.5
284.02835	2.4
291.05194	1.3
300.02640	2.4
301.03430	13.1
319.04547	8.2
327.07217	3.1
329.08746	3.9
337.05640	1.7
349.15030	1.9
353.08673	2.7
355.06711	37.8
356.06888	2.6
437.10883	3.7
453.10352	5.0
463.08817	62.6
464.09232	6.4
481.09863	69.8
482.10373	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	480.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09145	0.1
51.82099	0.1
59.01381	2.3
60.01715	0.2
61.98829	100.0
62.98517	0.2
63.74097	0.1
71.01387	0.8
71.53751	0.2
73.02964	0.5
74.06788	0.1
83.01406	0.2
85.02959	0.3
96.06209	0.1
101.02442	0.8
105.87090	0.1
108.02205	0.7
109.02986	0.4
113.02478	0.4
125.40328	0.1
127.86929	0.1
149.04559	0.1
152.01094	0.6
153.01984	0.2
161.04581	0.5
231.10167	0.1
249.20535	0.1
252.73882	0.1
273.70703	0.1
418.25494	0.1
420.25656	0.6
451.95651	0.1
481.17102	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68655	0.6
52.70522	0.6
55.01859	1.0
57.03415	1.7
59.01379	15.8
61.98826	7.8
62.82954	0.6
67.01867	1.3
69.03429	1.0
69.32624	4.7
71.01379	16.3
72.99271	1.4
73.02918	2.7
75.00844	2.0
75.09566	0.7
76.30481	0.6
83.01355	2.6
85.02954	12.6
87.00871	2.9
87.05102	0.6
89.02438	5.0
93.03456	5.3
95.01347	2.4
97.02902	0.8
98.19900	1.1
99.00898	4.1
101.02447	6.0
103.00376	1.1
111.00859	1.4
113.02446	17.3
117.03438	1.7
119.03423	1.2
124.01634	0.6
125.02400	2.4
129.01929	0.6
131.03424	0.8
137.02379	2.3
139.11214	0.7
141.12833	5.6
144.51915	0.7
149.02359	0.9
154.12253	0.6
155.03494	1.3
159.04448	1.5
161.04492	1.2
163.03960	0.7
167.10710	1.0
173.04556	18.6
173.06017	1.4
175.02464	6.8
185.11757	0.9
185.19527	0.6
187.03995	0.7
187.07658	7.7
187.13382	34.3
191.05647	4.3
201.05522	1.0
202.06319	3.3
213.09216	1.3
215.07094	1.5
231.10161	3.2
245.11748	1.0
263.12708	3.5
269.04541	57.8
270.04831	2.8
275.09253	1.6
301.10794	0.9
307.11850	9.4
331.17682	2.9
347.17050	1.6
348.17456	2.5
349.18646	100.0
350.18967	3.3
445.07715	8.8
446.07498	0.6
480.21658	1.3
481.17038	4.2
481.22964	29.8
482.23264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81672	0.4
57.35719	0.3
59.01387	2.0
61.98831	100.0
71.53047	0.4
71.53426	0.5
76.77233	0.3
125.02467	0.7
137.02496	0.6
281.96317	0.4
306.54306	0.4
309.27817	0.4
366.10782	0.5
385.13177	0.6
408.37543	0.4
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
51.40785	0.3
53.60451	0.2
54.94310	0.2
56.35268	0.2
59.01382	1.4
61.77922	0.2
61.98831	100.0
70.67565	0.5
70.67946	0.5
71.01379	0.6
77.11687	0.2
85.02960	0.4
88.98807	1.5
89.02452	0.4
90.53180	0.2
93.03474	1.1
95.61276	0.3
101.02471	0.2
103.97491	0.2
113.02493	0.3
116.55633	0.3
119.04953	0.3
137.02563	0.4
173.04546	3.2
178.02664	0.3
217.03964	0.2
233.08038	0.3
253.37215	0.2
254.04308	0.2
286.10690	0.2
346.53873	0.3
365.63034	0.3
420.25809	0.3
457.68744	0.4
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
55.44794	0.2
59.01379	1.9
61.01820	0.3
61.98829	100.0
69.50156	0.7
69.50568	0.4
71.01380	0.4
73.02979	0.2
79.67294	0.2
85.02934	0.3
89.18500	0.2
92.04190	0.2
95.28541	0.2
101.02468	0.2
102.79893	0.2
113.02471	0.2
124.34816	0.2
125.02423	0.2
145.26659	0.2
160.60077	0.2
177.01895	0.3
342.94818	0.2
418.25363	0.2
420.26035	0.7
422.59949	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15103	1.7
59.01381	14.4
60.01699	1.9
61.01798	1.7
61.98831	100.0
62.08683	1.6
71.52336	1.7
71.52688	1.8
89.63643	1.7
94.77238	1.9
120.34668	2.0
296.60812	1.9
369.22507	1.9
375.32739	1.9
502.11411	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	480.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98735	0.5
59.01384	3.4
61.98831	100.0
63.17488	0.4
69.41656	3.2
78.95927	0.6
124.01676	0.7
125.02498	2.3
127.08877	0.4
136.56845	0.5
146.36627	0.4
149.99615	1.3
163.33167	0.4
168.00655	2.2
345.87164	0.5
365.22772	0.5
382.34131	0.5
398.77518	0.5
444.33450	1.9
480.31128	1.3
481.17184	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	480.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.6
59.01380	39.4
59.88234	0.3
60.01714	0.5
61.98830	100.0
68.87804	0.3
69.31526	1.1
69.31947	1.8
71.01386	3.8
72.82736	0.4
73.02959	1.4
75.56528	0.4
78.40616	0.3
83.01401	0.6
85.02953	2.1
87.00884	0.6
89.02441	0.6
93.03512	0.4
99.00917	0.5
101.02441	2.7
113.02435	1.8
116.55587	0.3
119.05077	0.7
125.02451	1.2
130.07964	0.4
134.03784	0.8
151.00319	0.5
161.04530	2.1
163.03900	0.4
173.04565	1.0
202.11551	0.3
283.10522	0.4
307.12094	0.9
317.02832	0.6
318.03333	1.2
319.12143	0.6
331.17609	5.3
373.18671	4.2
417.08505	0.4
420.26743	0.6
437.20352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.00194	1.0
61.98820	2.6
71.01404	1.3
71.43998	1.5
75.70650	1.1
87.00904	1.9
96.75016	0.9
101.55251	1.0
103.00348	1.4
116.92892	1.3
157.33040	1.1
161.04587	1.7
167.81712	1.1
279.15433	1.1
287.20102	3.7
311.22495	1.9
316.02039	1.2
394.26135	1.3
479.26382	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	479.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76446	1.8
57.03432	5.5
59.01379	100.0
61.98536	3.0
61.98830	36.9
64.76701	1.7
71.01013	3.0
71.01384	43.8
71.53413	3.2
72.99305	3.7
73.02561	2.4
73.02944	31.6
83.01397	7.4
85.02963	11.7
87.00830	2.8
88.98822	2.0
89.02451	35.9
89.03005	2.5
93.03457	2.6
95.01397	4.2
97.02969	1.8
99.00880	63.7
101.02449	26.3
113.02455	29.9
115.02872	3.0
119.03493	7.7
125.02420	6.9
131.03473	8.2
139.11299	4.1
143.03456	4.4
148.28352	1.9
149.04565	23.6
151.00392	2.9
155.03468	4.6
159.03000	2.7
161.04553	9.1
165.05194	2.2
173.04512	4.0
179.05630	2.4
191.05600	26.5
201.11337	5.4
203.05698	11.4
233.06677	3.2
243.02788	3.3
271.02420	4.0
272.02402	2.2
273.02850	3.3
285.03647	4.7
286.03833	12.7
287.04205	9.1
288.04407	6.3
290.07477	4.1
299.05508	3.8
300.05878	5.5
301.03152	2.3
301.06143	14.2
302.06369	5.9
303.06546	6.8
314.04156	3.3
315.04568	2.7
316.04865	5.8
347.23938	2.8
365.17999	2.3
393.17636	20.5
435.13046	3.8
435.18695	58.8
436.18985	5.2
479.10968	22.6
479.17502	3.6
479.25101	11.0
480.17584	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	479.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.5
57.03492	2.4
58.00624	0.9
59.01111	2.1
59.01379	46.3
61.94268	0.8
61.98827	8.2
65.96893	0.8
69.32332	2.7
69.32755	2.8
71.01385	25.8
72.01794	0.7
72.99337	1.6
73.02637	1.1
73.02937	3.8
73.89158	0.7
75.00950	0.9
81.64170	0.7
83.01365	3.6
85.02950	11.6
87.00926	2.2
88.98877	1.2
89.02448	20.2
93.03501	1.0
95.01450	3.0
99.00963	2.1
99.08219	1.1
101.02439	18.8
109.03017	2.1
111.34073	0.7
113.02448	9.0
114.48371	0.7
115.00459	0.7
119.03513	4.7
125.02451	10.1
129.02066	0.7
131.03575	1.1
133.85616	0.8
137.02493	1.6
143.03529	0.8
149.04549	3.5
151.00426	2.5
151.04054	1.1
153.01988	1.1
155.10803	5.5
159.04604	0.9
161.04636	1.5
167.03612	0.9
167.10782	13.1
167.12114	1.0
169.01418	13.0
169.02811	0.8
169.12401	1.1
178.99872	1.4
185.11830	6.1
191.01970	4.4
199.09758	3.7
214.02977	0.7
225.11409	2.2
245.08296	1.1
261.13437	3.3
270.01678	1.0
271.02536	3.2
272.03204	0.8
287.02008	1.2
289.07169	5.8
290.07596	0.9
299.02036	2.7
316.02261	5.1
317.03000	3.5
329.11530	2.2
331.13486	1.2
347.17087	100.0
348.17407	6.0
393.17703	2.4
435.18719	11.8
436.19000	0.9
441.08298	5.9
443.08765	1.2
461.06995	3.6
479.08759	6.8
479.21213	39.0
480.21353	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	479.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.8
58.16306	0.4
59.01381	11.8
60.23467	0.4
61.98830	13.1
62.03097	0.4
67.01872	0.4
69.03452	1.5
69.26298	3.3
71.01379	7.6
72.99309	0.6
73.02947	0.7
75.00909	0.5
78.94350	0.4
78.95922	1.2
81.03456	0.6
85.02965	1.8
87.00872	0.8
88.98832	0.9
89.02440	8.7
93.03461	1.1
95.01388	1.0
97.02954	1.0
101.02436	3.8
109.02949	0.6
111.00909	0.7
113.02438	3.4
117.22164	0.5
119.03524	3.4
121.10213	0.6
123.00871	2.0
124.01666	4.3
125.02448	76.5
126.02766	1.1
131.03578	0.6
136.05296	0.6
137.02467	1.1
138.99304	0.4
139.00414	1.3
161.04575	0.8
165.09265	1.2
166.99829	1.2
167.03517	0.5
168.00648	7.4
169.01418	100.0
170.01788	2.5
173.04520	1.0
179.05659	1.4
211.02539	0.7
313.05698	2.5
316.02158	0.8
331.06696	24.2
332.06989	0.9
355.20505	0.5
419.26373	0.7
479.15518	45.7
479.32840	1.6
480.15805	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1556
Annotation	CHEBI:66720
Peak:m/z	Relative Intensity
51.49745	0.8
59.01381	64.4
61.98832	19.2
69.03445	3.3
70.22443	0.6
71.01377	6.6
72.99344	0.7
73.02940	2.6
80.02802	0.6
80.88815	0.7
81.03452	1.2
83.01387	2.5
85.02965	1.4
87.04519	0.9
89.02438	4.5
95.01381	1.8
97.02939	2.5
101.02444	4.5
107.01372	1.3
109.02966	0.9
113.02454	3.0
119.03499	1.6
121.02972	1.1
123.00892	6.9
124.01665	18.5
125.02451	58.2
126.02827	1.3
136.01654	0.7
137.02429	3.0
144.41118	0.6
149.98370	1.7
149.99586	34.8
151.00305	2.3
159.88081	0.8
161.04575	1.5
163.04076	0.8
165.09233	1.2
167.03508	1.1
168.00638	57.1
169.01405	5.0
179.05614	1.1
191.05652	0.9
206.50754	0.7
226.23268	0.6
229.30084	1.0
254.02217	0.7
284.03580	0.8
310.01254	1.0
313.05655	2.4
316.02142	1.6
325.03540	2.0
331.06708	5.5
331.52994	0.7
382.10913	1.2
419.24713	0.7
461.14444	2.0
479.09930	3.8
479.15558	100.0
480.15894	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	479.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
59.01379	4.8
60.01701	0.5
61.01788	0.2
61.98829	6.2
63.02392	0.3
65.00340	0.6
69.50499	1.2
71.01385	1.1
72.99308	0.7
73.02928	0.4
76.30001	0.2
81.03453	0.3
83.01391	0.7
85.02949	2.0
85.33540	0.2
87.00886	0.4
88.98795	0.4
89.02431	0.6
89.30423	0.2
93.03459	0.6
95.01357	0.3
101.02431	0.9
107.01405	1.5
109.02956	0.9
111.00851	0.2
111.04504	0.4
113.02478	0.6
119.03520	0.2
119.04989	0.3
119.87447	0.2
123.00879	0.4
123.04481	0.3
124.01669	2.6
125.02451	1.5
126.90320	0.2
127.00400	0.3
129.01915	0.2
135.00897	0.6
136.01654	0.6
137.02455	2.4
148.01671	0.4
149.02399	0.2
149.04530	0.6
150.99202	0.4
151.00368	6.5
152.01170	0.9
153.01904	0.2
155.03542	0.3
159.04488	0.3
161.04550	0.3
163.00352	1.6
164.01147	1.8
165.01921	0.7
167.03523	0.3
169.01468	0.5
171.04521	0.2
173.04564	0.3
178.99861	6.2
179.90720	0.2
181.12256	0.2
182.03648	0.2
185.02527	0.3
187.03995	0.5
188.04741	0.3
191.01929	0.7
191.05602	0.3
192.00693	0.5
193.01357	0.4
198.03178	0.2
199.04037	0.4
203.03467	1.1
204.04248	0.7
213.01997	0.2
214.02708	7.0
215.03391	0.9
227.03487	0.8
231.02818	0.3
232.03764	0.5
242.02200	5.5
243.02960	3.6
244.03595	0.5
255.03079	0.3
259.02469	6.7
260.02914	0.4
270.01663	6.3
271.02460	41.6
272.02896	2.0
287.01956	23.9
288.02435	2.7
289.03583	0.3
291.95395	0.2
299.01938	0.5
301.03427	0.3
302.07895	0.4
305.16028	0.3
313.03586	0.2
315.01352	0.8
315.04904	0.2
316.02213	100.0
317.02881	18.9
317.10358	0.9
318.03271	0.9
333.15631	0.6
343.84048	0.2
347.17264	1.0
375.14343	0.2
418.25452	0.3
479.08282	77.9
479.25540	2.3
480.08636	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	479.0834
Annotation	SCHEMBL1707783
Peak:m/z	Relative Intensity
55.01874	1.1
57.03424	1.9
58.00608	0.7
59.01380	25.3
60.01706	0.7
61.98830	16.5
63.02378	1.9
65.00327	3.2
69.74519	3.6
71.01382	13.0
72.99303	1.4
73.02947	4.1
75.00860	2.1
81.03482	0.6
82.79922	0.6
83.01400	5.0
85.02944	6.2
87.00867	2.1
88.98794	2.2
89.02439	6.7
95.01390	1.4
97.67006	0.5
98.20574	0.8
99.00860	1.7
101.02444	12.5
107.01386	8.2
108.02162	0.9
109.02946	5.1
110.10783	0.6
111.00860	1.0
113.02467	5.4
119.03489	2.1
120.99639	0.7
124.01620	0.9
125.02415	2.3
129.01955	0.8
131.03525	0.7
136.01634	1.7
136.07646	1.4
137.02443	18.3
137.06026	0.6
147.58971	0.5
149.04474	1.1
151.00366	42.6
152.01181	6.0
153.01881	0.8
161.04521	2.3
163.00388	3.2
163.03983	0.8
163.90695	0.6
164.01140	3.0
165.01877	2.0
167.10754	1.4
169.01442	1.9
172.10663	0.7
173.04517	0.9
175.02512	1.2
178.99860	37.8
180.00089	1.0
185.11726	1.0
191.05652	0.8
192.00571	2.7
193.01379	1.7
199.13419	0.8
204.04440	0.8
214.02599	0.8
225.11247	2.0
227.03468	1.0
232.03728	1.2
241.05023	2.2
242.02063	0.7
242.11794	0.9
243.12163	0.8
255.11377	2.5
257.08267	5.6
259.02512	1.4
270.01639	0.7
271.02490	7.2
272.02814	1.3
273.03079	1.2
287.02032	3.2
299.01929	1.9
300.02347	1.5
301.02893	1.8
316.02206	25.8
316.05215	1.0
317.02969	69.2
318.03220	3.3
347.17105	33.2
348.17328	2.3
359.11627	0.8
365.18085	3.6
418.25446	1.0
419.17203	0.9
461.07101	1.7
464.08328	0.8
479.08261	100.0
479.20926	22.7
480.08627	8.6
480.21396	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02373	0.7
68.87844	0.7
69.63910	4.0
83.88434	0.6
96.99612	0.7
107.01395	1.8
109.02937	1.4
118.34953	0.7
124.01652	2.7
125.02450	0.8
137.02443	1.6
144.27664	0.7
148.10481	0.6
151.00368	6.8
152.01100	1.6
163.00407	1.4
164.01147	2.4
178.99846	7.0
187.03894	1.0
199.03979	0.8
214.02710	8.6
215.03300	0.8
227.03448	1.3
232.03706	0.9
242.02202	6.8
243.02890	4.1
255.28674	0.9
259.02448	7.0
270.01694	7.4
271.02466	47.2
272.02808	2.1
287.01990	25.3
288.02499	2.7
315.01407	0.9
316.02219	100.0
317.02859	18.4
411.45474	0.7
431.24335	0.8
479.08298	96.5
480.08578	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	479.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.3
59.01371	5.5
61.98830	5.5
65.00315	1.0
70.10078	3.1
71.01379	3.5
71.27623	0.7
72.99313	4.2
74.99058	1.1
75.00871	36.8
75.96103	0.8
83.01385	1.3
85.02956	1.6
87.00869	2.7
87.01418	0.8
87.02914	0.9
89.02434	7.4
93.03445	2.7
96.95995	3.6
103.00378	1.2
109.02932	2.1
117.01913	2.3
119.69264	0.9
121.02967	4.6
123.04549	0.9
125.02435	13.1
133.02908	1.9
135.02995	100.0
136.03336	1.4
137.02454	11.9
137.13498	0.8
139.03984	1.7
142.99831	0.9
145.34966	0.9
147.02954	2.1
147.04558	0.9
149.02414	6.2
149.04538	0.8
151.00385	2.0
151.03938	2.5
153.01920	1.3
159.04469	1.0
161.02382	4.7
163.00345	3.0
163.03935	0.9
164.01128	1.8
165.01932	19.5
166.02371	0.9
167.03442	3.2
173.04547	2.2
174.50488	0.9
175.02454	1.4
176.01054	2.1
177.01923	44.1
178.02280	2.5
179.03458	4.1
180.04272	1.3
183.06601	1.4
189.02000	3.8
190.02635	1.6
191.03497	4.8
191.05283	0.8
193.01421	3.5
195.06577	2.9
202.99805	1.4
205.01378	9.2
207.02931	2.1
213.05568	0.8
215.03433	1.3
217.01414	3.9
219.02942	1.1
227.03500	1.0
229.04976	2.0
233.00879	1.5
233.04420	2.6
253.05052	0.9
257.04483	3.5
264.07843	0.8
271.06085	1.6
273.03879	1.1
281.04642	1.1
285.03918	1.9
297.04239	1.1
299.05511	4.3
303.05063	2.1
305.06619	2.5
314.40433	1.0
315.05173	1.4
317.06781	1.8
321.65640	0.8
325.03525	5.3
343.04572	19.0
344.04831	2.1
351.11935	1.4
354.60910	0.9
361.05634	4.7
419.19031	1.2
461.07333	1.1
479.07928	1.1
480.10114	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	477.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37521	0.5
55.01883	0.5
56.57566	0.4
57.03428	0.7
58.22412	0.4
59.01379	100.0
61.98830	6.3
69.59225	3.1
71.01382	10.4
73.02952	3.7
81.39570	0.5
83.01414	1.4
85.02954	5.2
88.98830	0.4
89.02460	2.9
89.02985	0.5
89.38941	0.5
95.01423	0.8
99.00919	1.6
101.02445	8.2
108.88622	0.5
113.02457	5.0
119.03507	1.2
125.02487	1.1
127.44619	0.5
129.01994	0.5
134.16217	0.5
134.37207	0.4
143.03564	0.6
159.03024	1.3
161.04553	9.1
202.79608	0.5
232.55930	0.5
255.19751	0.7
300.71585	0.5
306.51804	0.4
310.94470	0.6
384.73315	0.5
396.69189	0.5
414.14395	0.5
417.24930	52.6
418.25275	4.3
427.35049	0.5
461.24216	2.0
477.14764	0.7
477.26794	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	478.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.4
61.98832	100.0
66.37889	0.2
66.44324	0.2
68.91925	0.1
71.01402	0.2
71.53616	0.2
85.24318	0.2
101.02462	0.2
109.21162	0.2
113.02415	0.2
119.48441	0.2
122.56595	0.2
125.02491	0.3
134.80740	0.1
169.01488	0.2
254.18465	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.9514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
71.51067	1.2
79.95734	0.8
96.96007	8.2
97.46677	0.8
102.21233	0.7
108.01248	0.8
108.84194	0.6
111.02060	0.8
120.55974	0.7
122.28173	0.7
132.96938	0.8
134.96085	17.3
136.94009	35.0
137.94025	2.1
151.92717	2.9
152.91740	12.8
167.90462	1.0
178.95058	77.1
179.95154	3.0
194.92805	34.1
201.02513	0.7
212.93950	1.8
248.01779	0.9
250.94005	1.9
252.91821	1.7
278.95166	1.0
292.94949	8.0
294.92929	11.4
295.93198	0.7
320.96188	10.0
321.96246	0.9
332.87790	0.8
336.93951	100.0
337.94186	8.3
367.80737	1.1
376.81546	4.7
377.29706	1.0
377.80313	1.1
378.29498	1.0
378.84845	0.8
407.29199	0.8
408.78162	1.0
415.89075	0.7
418.82550	4.9
425.79379	1.0
478.74426	1.0
478.84625	1.0
478.94617	1.0
479.29434	0.9
487.26251	0.9
487.74643	1.1
496.25525	2.1
496.75058	1.7
497.25568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63793	0.2
55.01870	0.3
57.03457	0.3
59.01379	100.0
60.01709	0.9
61.98823	1.2
70.90901	0.5
71.01379	5.4
73.02939	1.6
77.92196	0.2
83.01382	0.7
85.02946	2.3
87.00884	0.4
88.98838	0.3
89.02438	1.3
93.03451	0.2
95.01391	0.3
97.02964	0.3
99.00881	0.8
99.04529	0.2
101.02438	3.7
112.77592	0.2
113.02459	2.5
119.03583	0.3
125.02454	1.0
136.41554	0.2
137.02467	0.2
139.04008	0.3
143.03476	0.4
150.03215	0.2
151.00354	0.3
159.02982	0.5
161.04559	4.7
165.98698	0.2
166.02733	0.2
167.03445	0.9
169.01393	0.7
181.04991	0.2
189.05508	0.2
209.04567	0.5
222.77541	0.2
239.05841	0.2
271.02469	6.1
272.02914	0.5
285.03876	0.2
287.04547	0.5
289.07190	0.3
299.01938	5.6
300.02710	3.3
301.03610	1.2
303.21793	0.4
314.04352	1.2
315.05093	6.6
315.08334	0.3
316.05396	0.4
329.03018	0.6
357.09787	1.6
380.70886	0.2
387.10883	0.8
417.24939	12.2
418.25122	1.0
441.08487	0.2
461.24194	0.9
462.08200	1.3
463.08383	0.2
477.10352	9.7
477.27194	4.2
478.10736	0.8
478.27518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.4
57.03462	1.2
58.00604	1.3
59.01381	100.0
60.01704	1.1
61.98833	8.0
65.43961	0.5
69.49313	3.2
71.01383	37.7
72.01714	0.8
72.99320	1.6
73.02946	8.5
75.00887	0.8
83.01380	3.9
85.02955	14.7
85.03466	0.9
87.00863	3.1
87.04521	1.0
89.02450	22.0
93.03456	1.4
95.01389	2.8
98.19985	0.9
99.00853	3.1
99.77025	0.6
101.02448	30.9
102.02808	0.7
113.02454	18.5
118.21632	0.6
119.03494	9.6
120.99696	1.0
121.36561	0.5
125.02454	1.2
131.03484	1.3
143.03508	4.3
149.04591	1.1
159.02960	3.4
161.04562	25.9
162.04958	0.8
165.12900	0.7
179.05605	7.9
182.90074	0.6
183.13876	2.9
233.08128	0.8
255.19675	2.1
267.07245	0.8
285.04019	1.1
301.03519	0.8
341.58136	0.6
417.24927	69.1
418.25208	5.5
477.19595	2.1
477.24432	2.1
482.83774	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87567	0.5
57.03428	0.6
59.01381	100.0
60.01727	0.9
61.98828	3.1
69.45538	2.0
69.45945	1.4
71.01385	5.3
73.02952	1.2
83.01407	0.5
85.02950	3.1
87.00900	0.9
88.98847	0.8
89.02452	1.3
97.02965	0.7
99.00878	1.1
101.02431	4.6
107.01434	1.1
109.03005	0.6
113.02452	2.6
119.03496	0.5
119.05026	2.4
121.02950	0.8
123.00876	0.6
123.04569	0.9
125.02446	3.2
149.02423	3.8
151.00420	2.2
161.04550	5.7
163.04054	1.7
169.01428	2.6
175.00395	0.7
191.03557	1.0
215.03445	0.5
233.04634	0.6
259.02554	0.5
301.03522	31.5
302.04013	1.8
313.05801	1.2
417.24927	13.4
418.25433	1.1
461.24258	0.7
477.06778	4.0
477.11325	2.2
477.27399	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	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39886	0.2
55.01878	0.8
57.03452	0.6
57.55427	0.2
58.98257	0.2
59.01380	100.0
60.01719	1.0
60.99326	0.4
61.98820	1.2
63.68637	0.2
69.62693	0.2
71.01383	9.8
72.99320	0.4
73.02944	2.4
73.11729	0.2
83.01385	1.4
85.02949	3.9
87.00904	0.6
88.98808	2.4
89.02446	5.6
95.01391	0.6
97.02984	0.4
98.19880	0.6
99.00895	1.3
101.02440	6.8
113.02451	3.8
119.03497	1.7
119.05053	0.6
121.10236	1.1
125.02507	0.7
129.01967	0.3
131.03537	0.5
133.03036	0.3
139.00449	0.3
143.03545	0.8
149.04573	0.6
151.00415	0.5
158.24550	0.2
159.03009	0.6
161.04555	5.3
169.01440	0.7
179.05667	0.9
213.11351	0.4
301.03537	7.7
301.06882	0.4
302.03833	0.4
345.15530	10.6
346.16116	0.9
382.59814	0.2
417.24966	12.4
418.25226	1.1
441.18536	0.4
461.24136	0.7
477.06372	0.8
477.11002	0.4
477.20004	7.4
477.27182	2.6
478.20435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.5
57.03457	3.4
58.00596	3.0
59.01382	100.0
61.98838	17.5
71.01382	67.5
71.01782	3.4
72.99328	3.1
73.02940	12.2
83.01390	5.5
85.02944	22.1
87.00858	4.3
89.02446	47.1
94.71995	1.8
95.01392	2.8
97.02930	3.0
99.00882	2.7
101.02438	46.8
101.15213	1.9
113.02451	30.1
119.03489	21.7
125.02428	2.5
131.03497	1.9
137.85034	2.2
143.03500	7.1
159.02934	2.9
161.04564	36.8
179.05586	15.9
197.11832	7.0
255.19685	9.7
286.03897	2.5
291.19745	2.2
301.03476	2.9
309.20792	9.0
343.24484	2.0
352.40533	2.0
397.03033	2.0
417.24905	67.3
418.25220	4.6
433.33255	3.0
477.22369	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	477.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36188	1.5
55.01868	1.6
55.58509	1.4
57.03452	2.2
58.00582	1.9
59.01379	90.1
61.98829	21.4
62.13502	1.4
70.04841	1.5
71.01380	59.0
72.99316	3.3
73.02945	10.4
75.00898	1.8
83.01407	4.9
85.02947	19.9
87.00883	4.0
89.02444	49.3
95.01377	5.1
97.02948	1.6
99.00900	3.5
101.02437	48.3
106.63141	1.6
111.35523	1.5
113.02453	28.6
114.81461	1.5
119.03516	19.6
123.40413	1.5
125.02440	2.9
131.03484	2.5
143.03496	6.2
149.04451	2.4
159.02980	2.7
160.98047	1.6
161.04547	29.4
162.04910	1.8
162.06384	1.6
165.08328	1.4
168.15665	1.6
179.05592	11.7
239.03458	2.3
255.19585	6.8
268.03799	1.6
301.03479	5.6
417.24918	100.0
418.24982	7.4
477.07169	1.8
477.22174	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68158	0.3
59.01379	100.0
60.01711	0.7
61.98835	0.5
70.37097	0.5
70.37450	1.2
86.02431	0.3
98.20668	0.5
126.66524	0.4
144.25217	0.4
145.96558	0.4
171.10313	1.1
181.06346	0.4
209.11874	1.4
209.89307	0.4
211.13499	1.4
212.80948	0.4
216.37074	0.3
249.15160	0.6
255.78069	0.4
345.60483	0.4
445.23453	0.4
459.27634	0.6
500.32245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60258	0.3
59.01380	100.0
60.01707	0.8
61.98840	0.6
70.75158	0.7
79.23885	0.3
85.45198	0.3
88.47314	0.3
171.10262	2.9
209.11853	1.1
211.13351	0.5
221.15555	0.5
233.15504	0.8
249.14980	1.7
251.46542	0.3
284.26666	0.5
301.03641	0.9
345.58823	0.4
375.25491	0.5
385.23965	0.6
459.27554	1.5
477.28900	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	477.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
57.03468	2.0
59.01379	100.0
60.01704	1.3
60.99303	6.7
61.98829	17.7
69.81789	0.9
71.01387	19.9
71.53398	1.4
71.53775	1.3
72.99306	1.9
73.02945	4.5
75.00885	1.6
79.13992	0.9
83.01373	2.4
85.02952	9.1
87.00862	2.5
88.98808	46.7
89.02451	15.0
93.03458	1.8
95.01385	1.7
96.28551	0.9
99.00869	2.5
101.02446	13.8
107.01360	1.1
107.83795	0.8
109.02988	1.0
111.00870	1.5
111.04472	1.0
113.02451	8.2
115.68819	0.9
119.03485	5.1
119.04987	1.9
120.99657	1.7
121.10222	2.8
123.04501	1.8
125.02441	3.2
129.01872	1.1
131.03470	1.4
133.02927	3.3
137.02411	3.4
147.02983	1.2
149.02354	1.2
149.04497	1.4
153.05550	1.5
153.09216	1.1
159.02971	1.8
161.04520	9.0
165.01883	1.2
165.04033	2.7
165.05475	1.3
165.09267	1.5
169.01369	2.3
173.04552	1.5
179.05579	1.1
192.00633	1.1
192.98520	1.0
219.12817	0.9
225.05844	1.6
227.05748	1.0
255.02847	1.0
266.29477	0.9
271.09958	1.1
284.03033	1.0
301.03525	49.0
302.03976	3.2
309.66116	1.1
345.11844	1.5
345.15515	31.4
358.92361	1.2
389.11441	1.0
417.25012	20.6
441.17529	1.9
461.24042	1.4
477.06476	5.1
477.19659	3.6
477.28290	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	477.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59845	0.7
50.77362	0.8
51.52606	0.7
52.56654	0.7
54.99506	0.8
57.03453	1.0
59.01381	18.8
60.99303	11.6
61.75081	0.7
61.98833	5.3
69.57992	1.7
69.58403	3.5
71.01376	4.5
73.02940	1.0
74.00764	0.8
83.01407	0.8
85.02948	3.9
87.00877	3.6
88.98808	100.0
89.02444	10.0
89.99184	1.0
93.03452	0.9
101.02444	3.0
111.00919	0.9
113.02473	1.6
119.03539	1.7
120.99644	1.4
121.80817	0.8
137.02463	0.9
138.03249	1.9
141.01799	0.8
153.05562	3.4
156.54012	0.8
161.04570	2.8
166.64490	0.8
176.04793	1.7
188.49178	0.8
191.07143	2.8
196.29063	0.8
204.02948	0.8
226.06284	1.2
227.05547	2.9
228.20511	0.8
243.00031	0.8
301.03564	10.8
315.07675	1.3
331.17719	1.8
345.15466	4.3
417.24988	1.9
477.17221	1.3
477.23254	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	477.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04167	0.7
51.31009	0.6
55.01866	1.2
57.03447	3.5
59.01380	38.5
60.01696	1.4
61.98833	15.3
69.03488	1.0
69.67476	3.5
71.01382	19.2
71.98935	0.7
72.99298	2.7
73.02943	3.3
75.00869	9.7
83.01372	2.4
85.02953	15.6
87.00873	5.8
89.02444	9.6
95.01408	4.0
98.19957	0.8
99.00896	6.0
101.02457	6.4
103.00362	2.2
109.02959	0.8
111.00893	1.3
111.08115	0.9
113.02453	16.8
113.03242	0.8
115.00343	1.9
117.01955	1.6
119.03493	1.8
125.02425	1.8
129.01926	2.0
131.03484	1.2
137.02393	1.2
143.03432	0.8
151.62759	0.8
157.01445	1.4
161.04523	4.9
165.11586	1.3
165.12840	11.5
173.00905	0.7
175.02463	2.0
175.19885	0.7
179.05563	2.0
183.13893	57.3
184.14189	1.9
189.04007	1.1
191.01991	1.1
191.05623	1.6
209.11853	1.7
227.12901	4.6
249.06143	8.2
256.01523	0.7
267.07217	10.8
285.04108	5.2
301.16522	2.7
414.14993	0.9
415.19717	3.9
417.24988	12.5
433.20853	0.9
459.18677	3.2
477.19745	100.0
478.20258	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	477.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92466	0.2
59.01382	8.4
61.98827	1.7
69.20217	2.1
71.01343	1.0
73.02922	0.3
73.06805	0.2
73.59763	0.2
85.02924	0.4
89.02415	0.3
92.31666	0.2
96.67567	0.2
101.02411	0.7
113.02435	0.6
113.47688	0.2
119.04950	0.2
119.23260	0.2
148.01643	0.5
151.00349	0.8
161.02411	0.5
161.04501	0.4
169.12349	0.2
173.04446	0.3
190.02626	0.2
213.11282	0.2
215.03513	0.4
216.04243	0.4
227.03468	0.8
230.33646	0.2
243.02882	0.4
246.73622	0.2
255.02879	0.5
256.03769	0.4
271.02438	2.6
272.03259	13.0
273.03476	0.6
299.02026	1.9
300.02725	96.1
301.03125	5.6
301.06400	0.4
314.04108	1.2
315.05087	100.0
316.05414	5.6
417.24887	2.8
477.10385	6.5
477.27197	0.6
478.10672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13605	0.2
59.01380	4.2
61.98828	1.8
69.69351	0.9
71.01390	0.7
73.02945	0.2
83.01398	0.2
85.02950	0.4
87.00897	0.2
89.02441	0.4
89.03503	0.2
98.19865	0.2
101.02459	0.5
113.02470	0.5
119.05050	0.2
125.02448	0.5
144.86783	0.2
148.01736	0.7
149.02522	0.2
151.00386	0.7
161.02415	2.7
161.04488	0.3
162.02806	0.2
175.02505	0.2
183.04543	0.2
185.02347	0.4
187.00356	0.2
199.04025	0.5
200.89732	0.2
203.03523	1.2
215.03496	0.4
216.04189	0.2
227.03488	3.3
228.03889	0.3
229.01445	0.3
237.46695	0.2
243.02989	1.4
255.03032	0.3
256.03735	0.4
271.02484	4.3
271.05423	0.3
272.03238	11.8
273.03589	0.6
284.03400	0.4
285.03772	0.6
286.03976	0.4
299.01993	8.5
300.02734	100.0
301.03152	6.6
301.05881	0.2
313.03604	0.5
314.04321	3.5
315.05096	81.1
316.05457	4.4
316.08215	0.1
417.24573	0.7
462.07877	0.5
477.10339	51.6
478.10706	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	477.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.5
61.98829	1.7
70.83535	0.5
70.83897	0.4
71.01376	0.6
85.02956	0.4
87.00913	0.3
89.02463	0.4
99.58846	0.2
101.02441	0.6
105.75630	0.2
111.37611	0.2
113.02444	0.4
120.49017	0.2
125.02456	0.2
148.01659	0.5
151.00346	0.7
161.02446	2.5
161.04532	0.3
175.02557	0.3
183.04482	0.4
185.02310	0.3
199.03955	0.2
203.03456	1.1
215.03366	0.4
216.04227	0.4
227.03471	3.8
229.01437	0.3
243.03030	1.2
244.03616	0.4
256.03604	0.5
271.02435	4.6
272.03229	11.4
273.03549	0.6
285.03891	0.5
286.03882	0.5
299.01953	9.2
300.02725	100.0
301.03122	6.6
301.06088	0.2
313.03445	0.7
314.04303	3.2
315.05081	80.5
316.05399	4.4
417.24701	0.7
469.40518	0.3
477.10345	48.8
478.10681	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	476.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19543	0.6
57.31487	0.6
59.01374	1.3
61.98817	1.4
62.96391	0.5
63.44760	0.6
70.46129	0.7
70.46484	2.0
71.01363	0.7
78.95906	100.0
80.93438	0.6
93.87319	0.6
96.96954	5.9
106.68591	0.6
113.02429	0.9
122.00103	0.7
140.01184	5.7
152.99585	16.5
171.00648	16.6
196.03798	9.4
214.04825	2.4
279.23285	83.8
280.23599	4.4
285.03629	1.8
299.05710	0.9
300.05930	2.2
301.03674	0.7
402.24103	2.8
408.03333	0.6
459.22858	0.7
476.27814	91.6
477.28235	7.6
498.69321	0.7
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
59.01390	0.2
61.98803	0.4
65.15529	0.2
70.64204	0.3
70.64525	0.4
78.95903	100.0
96.96962	8.7
134.40619	0.2
140.01184	0.6
150.97945	0.3
152.99582	18.9
153.99927	0.2
160.45065	0.2
171.00635	20.8
214.04782	0.3
236.11681	0.2
249.12485	0.2
285.03641	0.5
300.05975	0.5
349.41745	0.2
402.24121	2.1
476.27802	65.7
477.28116	6.1
477.34927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0674
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
53.12138	0.4
57.03445	0.5
59.01382	3.8
63.02407	0.6
63.53337	0.4
65.00325	1.1
69.41794	2.5
71.01379	2.7
83.01376	0.7
85.02973	1.8
87.00896	0.6
88.98779	0.5
89.02435	1.0
89.29401	0.4
93.03464	0.6
95.01392	0.5
97.48642	0.4
98.19939	0.7
99.00862	1.3
104.53778	0.4
107.01402	2.0
109.69566	0.3
113.02445	1.3
114.66592	0.4
116.49717	0.4
121.02970	0.6
122.74697	0.4
125.02460	0.6
133.02888	0.4
139.07570	0.6
149.02432	8.6
151.00371	6.4
161.02493	0.4
183.04543	0.5
187.03970	0.4
191.03479	2.4
211.04024	0.7
214.02652	0.5
215.03491	1.0
219.53569	0.4
227.03589	0.9
229.05098	0.6
239.03456	1.0
255.02966	1.4
257.04492	0.7
259.02359	0.5
279.12448	0.7
280.86166	0.4
283.02472	1.0
300.02652	0.8
301.03506	100.0
302.03867	5.4
343.04468	1.5
345.15891	0.4
373.05521	1.1
417.25043	0.6
477.06699	28.4
478.06906	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	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.5
61.98846	0.4
64.88677	0.2
70.73945	0.3
78.95901	4.8
113.02467	0.3
122.00058	0.2
140.01186	2.2
152.99564	0.6
196.03830	1.2
199.27171	0.2
214.04858	2.8
233.95700	0.2
244.16214	0.2
261.22293	0.4
279.23264	100.0
280.23590	6.5
285.03714	0.4
300.05899	0.6
441.45770	0.2
476.27802	11.4
477.28079	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88062	0.3
57.03453	1.3
59.01379	15.3
59.66721	0.4
60.01725	0.9
60.23436	0.4
60.93357	0.3
61.98831	100.0
69.39478	0.9
69.39889	2.1
70.15202	0.4
71.01383	4.4
72.01739	0.4
72.99339	0.6
73.02969	0.9
75.00879	0.7
81.03453	0.7
83.01394	4.6
85.02963	1.9
87.00870	0.6
89.02438	2.3
90.00849	0.4
93.03475	0.8
95.01380	0.6
98.20631	0.7
99.00873	0.5
101.02429	2.6
103.00417	0.5
107.01432	0.9
113.02441	2.6
114.02790	0.7
119.03523	1.2
119.05042	0.6
121.03001	0.6
123.04549	1.1
125.02448	41.9
125.06052	2.6
126.02792	0.6
139.04100	0.5
149.02477	2.9
151.00395	1.7
161.04579	1.5
167.03490	4.0
169.01465	0.6
173.04567	0.5
179.05557	0.7
183.13852	0.9
203.03473	0.5
204.04309	1.1
209.08267	0.8
210.08583	1.0
222.31911	0.4
222.33934	0.6
233.08191	13.6
251.09241	13.3
252.09563	0.6
273.07690	2.2
284.03287	1.9
285.03711	3.4
287.07797	1.5
299.05615	1.5
300.02719	1.2
300.06042	4.0
313.05542	0.8
315.05255	0.9
344.21646	0.4
384.17725	0.5
413.14505	15.3
414.14838	1.4
415.23621	1.1
416.23807	2.1
417.24973	1.7
477.10904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.2
58.00585	0.6
58.37268	0.5
59.01378	37.3
60.01712	1.3
60.99323	0.6
61.01809	0.5
61.98829	81.0
67.01875	0.7
69.33289	1.2
69.33697	2.9
71.01385	8.9
73.02945	2.3
75.00874	0.6
81.03452	2.9
83.01385	7.2
85.02953	6.4
86.03280	1.0
87.00888	2.0
88.01216	0.6
89.02438	6.3
93.03463	5.3
94.03806	1.2
95.01409	1.1
97.02955	0.5
99.00871	1.6
101.02449	5.5
102.02780	0.6
107.01370	1.0
112.79529	0.5
113.02450	6.4
114.02778	1.6
119.03523	3.4
119.04974	0.5
123.04466	0.6
125.02444	100.0
125.06071	2.6
126.02774	1.9
127.04038	0.8
131.03523	0.6
139.03979	2.7
140.25858	0.5
149.02444	11.1
151.00372	2.0
161.04541	3.5
162.04947	0.7
167.03503	6.4
173.02422	0.5
173.04510	2.7
174.04962	1.3
175.02525	0.9
179.03481	1.5
179.05576	1.3
183.13910	1.3
184.14348	0.6
191.05602	30.7
192.05946	13.0
203.14493	0.6
205.22961	0.6
211.13437	1.2
229.14471	1.6
233.08185	4.9
249.99797	0.5
251.09225	12.8
275.09296	4.0
284.03192	2.3
285.03680	4.0
287.07700	3.7
293.10278	0.9
299.05600	2.0
300.02844	0.8
300.05920	4.7
303.18280	0.6
353.12042	0.6
413.14502	54.4
414.14795	3.8
415.23267	3.8
416.23685	4.5
417.24857	5.6
417.33154	0.6
475.21411	1.3
476.21869	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	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20081	0.3
52.44156	0.4
54.09563	0.3
55.01886	0.5
57.03452	0.7
59.01380	100.0
60.01740	0.6
60.50917	0.4
61.98831	5.0
69.23761	0.3
69.52728	2.7
71.01386	8.6
73.02956	1.1
75.00881	0.7
85.02943	4.2
87.00905	0.7
89.02444	10.6
90.02808	0.3
95.01407	1.2
98.81779	0.4
99.00894	1.1
101.02447	4.6
108.71935	0.4
113.02457	8.3
119.03492	4.7
120.99680	0.4
125.02445	1.5
131.03481	0.9
138.62047	0.4
143.03505	0.7
149.04573	0.7
161.04567	3.3
175.02478	1.2
179.05592	3.4
209.08182	1.1
256.03854	0.8
284.03268	10.8
285.03595	0.5
299.05588	10.7
300.06229	0.8
311.65271	0.4
379.69617	0.4
390.95236	0.5
397.22177	1.0
413.14468	0.7
415.23352	3.7
475.09030	1.3
475.25742	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	476.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.1
59.01379	14.7
60.01705	0.6
61.98830	100.0
70.65784	0.5
70.66144	0.6
71.01384	3.7
73.02934	0.6
75.00865	0.7
81.01878	0.4
81.03472	1.0
83.01392	3.2
85.02966	2.7
89.02459	2.8
93.03466	0.4
95.01385	0.6
101.02428	1.7
107.01408	0.5
113.02460	3.0
114.02770	0.9
119.03496	1.1
119.04952	0.4
123.04536	0.9
125.02447	40.6
125.06072	3.3
126.02792	0.7
133.46364	0.4
149.02438	3.1
151.00420	1.0
155.30368	0.4
161.04602	1.4
167.03502	3.6
169.01404	0.4
173.04547	0.6
179.05634	1.0
183.13925	0.7
184.14351	0.5
200.10368	0.4
203.03560	0.7
204.04321	1.2
209.08206	1.3
210.08574	1.4
233.08180	15.0
234.08533	0.8
251.09227	12.6
252.09566	0.5
273.07513	2.1
284.03339	1.8
285.03705	2.6
287.07706	1.9
299.05719	2.0
300.02686	0.9
300.06052	4.3
313.05667	0.9
315.05219	1.0
384.18030	0.5
413.14529	15.3
414.14975	1.4
415.23431	0.6
416.23450	2.1
417.25128	1.2
476.09207	0.7
477.10510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18674	0.9
57.03447	2.5
58.00589	1.7
59.01379	100.0
60.99299	2.5
61.98828	8.0
69.03476	0.9
71.01385	34.6
71.52862	1.3
72.99311	1.8
73.02956	2.4
81.03433	1.2
83.01390	2.5
85.02953	11.3
87.00883	5.4
88.98808	23.8
89.02445	43.3
92.83067	0.9
93.03462	4.1
95.01398	2.9
96.96009	3.4
97.02948	2.1
99.00868	1.5
101.02447	17.8
101.73913	0.9
111.04515	1.5
113.02449	17.2
119.03508	15.7
119.05003	2.5
120.99627	0.9
121.02992	1.2
125.02460	2.3
131.03488	2.2
132.56218	0.9
137.02478	1.8
143.03508	5.7
144.16946	0.9
149.02388	1.2
149.04529	1.4
152.34712	1.0
153.05583	4.1
161.02435	1.6
161.04610	7.1
163.04013	2.2
163.07713	1.1
173.04507	2.9
175.04004	1.2
176.04782	1.5
179.04126	1.8
179.05609	22.3
179.10768	2.1
191.05600	2.5
191.07185	3.2
200.97089	0.8
205.12276	3.0
225.05911	6.3
253.14601	2.0
269.08255	1.6
271.02380	2.7
284.03378	1.7
290.77890	1.0
299.02026	3.4
299.05206	1.4
299.08313	2.2
313.07697	1.3
313.11761	1.1
327.08337	1.1
354.06879	1.9
355.07584	8.1
385.08731	2.3
385.18661	2.8
387.10989	2.1
415.10724	1.3
415.19110	11.5
415.24341	2.1
475.11850	13.3
475.18320	2.1
476.11859	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
58.00608	1.4
59.01380	100.0
69.87133	2.4
69.87540	1.8
71.01381	44.3
72.99308	2.8
83.01399	1.3
85.02950	6.6
87.00887	2.4
89.02444	64.3
95.01392	2.2
101.02444	18.7
113.02451	17.0
119.03491	26.0
125.02483	1.0
131.03485	3.5
133.01425	1.1
143.03511	7.3
149.04533	2.6
156.32072	0.8
161.04561	9.3
164.58742	0.8
179.05608	42.6
191.02013	1.3
218.28749	0.8
341.93951	0.8
415.19611	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	475.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
59.01378	20.6
61.98832	1.3
63.02394	1.1
65.00332	1.0
67.01878	0.3
69.48434	1.2
69.48841	0.5
71.01376	3.6
72.48693	0.2
72.99310	0.3
73.02934	0.8
81.03480	0.2
83.01389	1.2
84.78321	0.2
85.02965	2.1
87.00879	1.2
89.02435	1.6
90.56003	0.2
93.03452	0.7
93.52237	0.2
95.01390	0.6
99.00860	0.6
99.20943	0.2
101.02437	1.9
104.96663	0.2
105.03442	0.7
107.01382	1.5
109.02948	0.8
111.00851	0.4
113.02448	2.4
118.55118	0.2
119.03466	0.8
119.04977	0.4
120.34106	0.2
121.02943	0.8
125.02457	0.3
129.01915	0.3
129.26257	0.2
131.51855	0.2
133.02945	6.5
137.02408	0.8
148.60487	0.2
149.02406	1.7
149.04495	0.4
151.00359	3.4
151.03943	0.2
161.04556	1.5
171.04501	0.3
175.03975	2.1
177.01897	0.4
179.05545	0.4
185.06012	0.5
189.04028	0.6
189.05594	0.3
197.08234	0.3
198.03226	0.3
199.03984	2.3
201.01932	0.8
213.05679	0.3
215.03505	0.5
217.05083	1.1
223.04123	0.3
229.04965	0.5
241.05038	0.8
242.45845	0.2
243.02954	0.6
257.04471	0.5
267.26102	0.2
284.03296	0.7
285.04034	100.0
286.04361	6.2
299.02176	0.3
299.05429	0.3
329.12347	0.5
355.04480	0.6
369.06256	0.3
381.05960	0.4
404.73743	0.3
415.23288	3.4
433.24316	0.7
475.08725	3.9
475.25253	0.6
476.09082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
57.03453	1.0
59.01381	100.0
60.01722	0.9
61.98833	7.1
65.65199	0.5
69.60683	1.2
69.61098	2.4
70.99615	8.7
71.01388	11.4
72.99318	1.3
73.02940	3.3
74.99089	1.4
75.00866	0.6
83.01397	1.6
85.02956	6.3
87.00884	3.1
88.98815	1.5
89.02444	6.3
93.03436	2.5
95.01389	1.2
96.96017	2.0
99.00887	1.7
101.02445	7.7
102.98575	0.6
103.00433	0.6
105.03440	1.2
109.02993	0.6
111.00904	0.7
113.02454	6.0
119.03572	2.7
119.05041	4.7
119.08680	0.6
120.99651	9.0
121.02932	0.8
123.00898	3.0
123.04522	0.8
125.02425	1.6
137.02429	1.6
138.02130	0.9
138.03226	17.9
142.01999	0.5
143.03537	0.8
145.02942	0.8
149.02444	3.0
150.03342	0.7
153.05577	48.5
154.05939	1.7
159.02972	0.7
161.02434	8.9
161.04533	6.6
162.03055	0.7
163.03976	1.9
165.01944	0.5
167.03551	1.3
173.04527	1.7
175.03958	0.7
176.04782	25.2
177.05447	1.2
179.05615	1.9
191.02028	0.8
191.07137	38.3
192.07523	1.5
194.00426	4.4
195.01128	1.1
197.02820	0.8
197.99916	0.7
208.02008	0.8
209.02814	6.8
209.04633	0.8
209.08203	1.2
210.03502	2.8
212.01503	0.8
223.04333	2.4
224.05083	1.9
225.05902	80.5
226.06186	2.9
267.06647	0.7
269.08209	10.2
271.19162	1.2
295.10980	0.7
299.02283	1.0
299.05469	1.1
313.07501	12.3
313.10959	1.2
314.07471	0.6
343.13989	1.2
387.11179	16.6
387.16229	0.8
388.11545	1.0
415.23358	10.3
433.24261	1.5
475.12701	14.9
475.18997	0.8
475.25812	2.5
476.13116	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
61.98822	0.8
62.96397	0.5
70.65601	0.8
70.65971	0.6
75.00472	0.4
78.95903	52.8
82.57838	0.3
87.61832	0.3
87.66740	0.3
94.74272	0.4
96.96962	2.0
99.92561	0.6
113.02445	0.8
115.92098	0.5
119.64090	0.4
122.00194	0.8
140.01189	6.8
152.99571	7.6
161.14775	0.4
171.00626	6.0
196.02063	0.8
196.03798	10.9
214.04848	3.1
259.20624	0.4
275.20096	0.6
277.21704	100.0
278.22031	5.3
284.03287	1.6
299.05624	1.4
474.26242	54.6
475.26520	4.4
479.41687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
56.65728	0.4
57.03435	1.7
59.01381	10.8
66.82347	0.5
68.99824	0.7
71.01386	8.2
72.99297	1.5
73.02950	1.1
75.00873	4.4
83.01387	1.2
85.02952	18.0
87.00875	2.7
87.02838	0.4
89.02441	1.8
95.01384	5.6
98.20738	1.0
99.00880	5.8
103.00366	3.5
107.01363	0.7
108.42252	0.4
109.21893	0.4
113.02451	37.0
114.02787	0.6
115.00358	1.9
117.01940	2.6
129.01955	1.3
134.03737	0.6
139.00290	0.6
145.33235	0.4
151.00369	1.2
157.01404	0.9
175.02464	9.5
227.03545	0.9
229.34026	0.5
256.03729	4.5
283.02487	0.4
284.03259	79.2
285.03687	4.1
299.05597	100.0
300.05914	6.5
341.06409	0.6
475.08838	9.2
476.09244	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01730	1.0
61.98845	1.0
98.19869	1.3
104.64436	0.5
119.62434	0.5
157.12337	0.6
284.07922	0.5
348.52353	0.6
360.50058	0.5
407.69681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3637
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
59.01372	0.5
60.99302	0.6
61.98824	0.6
62.82771	0.3
69.26466	3.2
85.06583	3.4
87.04506	1.4
91.17202	0.4
104.38370	0.4
114.66622	0.4
243.12994	0.4
313.25418	1.3
329.28577	1.4
341.28598	0.7
357.31683	2.1
369.31494	1.2
373.34720	22.7
374.35178	2.4
385.34662	1.9
394.40027	0.4
399.32632	7.4
409.34616	2.2
411.36197	0.5
417.33740	44.8
418.34067	4.2
429.33707	13.4
430.34207	0.8
456.20502	0.4
473.36362	100.0
474.36713	10.1
474.43411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.3
59.01377	1.7
59.29765	0.2
61.98842	0.5
66.22157	0.2
67.67692	0.2
69.34749	0.2
70.76339	0.2
71.01373	0.4
75.13113	0.2
78.95904	9.2
85.02946	0.5
96.96947	0.4
98.19854	0.6
99.00872	0.3
107.92545	0.2
112.39753	0.2
113.02454	0.7
114.42924	0.2
122.00098	0.3
127.07652	0.4
140.01175	2.2
143.26259	0.2
152.99554	0.8
171.00633	0.4
173.34441	0.2
196.03833	1.6
214.04837	3.3
233.22661	0.4
259.20657	0.5
275.20053	0.3
277.21701	100.0
278.22049	6.2
284.03244	1.3
299.05542	1.6
375.28906	0.3
404.26218	0.2
435.91357	0.2
457.25928	0.5
474.26239	13.4
475.26437	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65346	0.4
64.85118	0.4
69.03453	1.0
70.37079	1.2
71.01378	0.5
83.48795	0.4
87.00875	0.5
87.04514	45.0
87.96558	0.5
88.04035	0.7
88.04855	0.6
93.03449	0.6
94.48510	0.4
99.61475	0.5
100.75267	0.4
111.46096	0.4
112.88699	0.4
113.02473	4.0
131.03508	100.0
132.03012	1.2
132.03857	1.9
137.02498	1.0
141.59796	0.5
216.17110	0.4
234.00539	0.4
339.95139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.3
69.43804	3.3
69.44247	0.8
71.01360	1.2
87.00903	0.7
89.02434	0.6
111.00867	3.5
118.92693	0.7
124.01649	2.1
125.02448	0.8
127.00315	0.6
135.04497	1.4
136.98819	2.2
139.00375	2.4
140.01152	3.9
167.03482	0.8
168.00652	5.9
179.03473	1.4
183.02977	100.0
184.03342	3.3
184.04840	0.5
195.66240	0.5
227.84824	0.5
313.90506	0.6
368.76141	0.5
454.76260	0.6
473.11218	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70863	0.7
52.98700	0.8
55.01875	4.4
57.03445	1.1
59.01389	4.4
59.64729	0.7
61.98831	2.4
65.49179	0.7
69.03488	0.6
71.01380	3.9
71.51949	1.5
72.99294	1.0
73.02921	0.7
75.00873	2.2
83.01417	0.8
85.02949	3.4
87.00868	1.3
88.09467	0.7
89.02453	2.0
90.01586	0.8
90.05151	0.7
93.03462	1.5
96.96022	1.9
97.06612	0.8
101.02435	2.0
103.91143	0.8
109.02911	1.2
113.02415	0.8
116.66720	0.7
119.05028	91.3
120.05363	3.3
121.02950	1.2
125.02468	4.4
129.02019	1.6
133.01479	0.9
135.03511	1.1
135.04532	21.6
137.02458	1.4
147.02991	4.7
161.02382	1.7
161.59914	0.8
163.04010	100.0
164.04381	4.1
165.01953	1.0
165.04024	1.1
167.03485	1.7
173.04521	1.3
179.03510	14.8
191.03764	0.8
191.05621	1.9
231.06619	0.8
293.06729	1.4
311.07861	1.6
325.09326	11.8
341.08765	2.0
473.12976	35.5
474.13141	1.8
485.12729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63419	1.5
61.98818	1.9
69.30747	9.8
78.33103	1.5
84.06760	1.3
89.96494	1.5
128.32254	1.4
152.99580	1.8
181.68040	1.4
214.10173	1.6
223.47348	1.4
244.87247	1.4
272.18414	1.7
276.54294	1.6
277.21707	100.0
278.22046	4.7
438.37723	1.5
471.34760	6.7
474.56540	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	472.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86946	0.8
61.98830	100.0
64.33418	0.7
71.53111	1.2
73.71899	0.7
86.15076	0.7
129.24806	0.8
180.29247	0.7
197.59859	0.8
270.97922	0.8
295.69278	0.8
309.07764	2.0
333.07584	2.3
343.68912	0.8
365.10379	1.2
377.06812	1.2
409.09366	5.7
491.97015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72679	0.2
57.03453	1.2
59.01379	10.7
61.98831	2.1
65.00335	0.5
68.36057	0.2
69.71378	0.5
69.71768	0.6
71.01376	1.7
73.02937	0.5
74.23713	0.2
75.00859	0.2
77.61748	0.3
80.14156	0.2
80.91688	0.7
81.03456	2.2
83.01396	1.0
83.05038	0.3
85.02959	0.9
85.06587	0.6
87.00872	0.5
87.04494	0.4
89.02457	0.9
93.03429	0.3
95.05025	0.2
97.02968	0.3
98.20625	0.4
101.02452	1.1
103.25537	0.2
103.73090	0.2
109.02946	0.3
109.06587	1.2
111.00920	0.2
111.04504	2.8
113.02433	1.3
119.03465	0.4
119.05045	0.5
123.00887	1.0
125.02448	4.0
127.07642	0.3
129.01987	0.3
133.06592	0.8
135.08185	0.7
136.05286	0.4
137.02460	0.4
138.03212	0.3
139.03999	0.4
149.02448	0.6
151.00356	0.8
151.07646	19.0
152.07991	0.7
153.05574	0.3
161.04602	0.5
161.13327	0.7
171.60942	0.2
171.62451	0.2
173.04561	0.3
177.05559	1.3
183.13910	0.4
187.13339	0.7
187.14835	0.3
191.07263	0.2
195.06622	100.0
196.06982	4.0
205.15964	0.6
219.06604	0.4
223.13448	0.4
227.12962	0.3
237.07564	0.8
244.30217	0.2
249.11163	0.5
249.14969	2.9
263.12518	0.4
291.12247	0.4
298.23114	0.2
321.19196	0.6
349.63647	0.2
357.11902	12.2
358.12103	0.9
411.20395	0.5
471.15067	1.8
471.21811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30442	0.6
57.03448	5.9
59.01381	84.0
59.61009	0.6
61.98830	11.9
69.85523	3.1
71.01388	5.5
71.88268	0.6
72.99323	0.8
73.02943	3.4
73.72350	0.6
75.00876	3.9
83.01369	1.7
85.02947	3.6
87.00879	1.8
89.02451	3.2
93.03459	1.9
96.96012	2.8
99.00881	1.2
101.02431	6.0
103.00388	3.6
110.54144	0.7
111.00842	0.7
111.04529	1.4
113.02464	4.7
119.03503	3.0
119.05036	2.8
120.99693	0.9
125.02444	2.8
129.01944	1.1
135.08168	7.0
136.08566	0.8
137.02440	2.1
139.04047	1.0
141.04463	0.6
143.03494	1.0
145.02956	1.9
154.61359	0.7
161.04561	2.6
163.04018	1.8
170.50354	0.6
173.04507	1.9
179.05605	1.0
189.12837	5.4
200.19070	0.7
211.13197	0.7
221.08122	1.3
222.85287	0.7
223.09738	0.9
245.08226	0.7
249.14951	100.0
250.15227	5.5
263.16516	1.7
291.15958	1.1
344.37515	0.6
383.17029	0.9
411.20197	7.5
429.17599	1.3
471.18774	2.0
471.23068	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	469.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25227	0.6
59.01388	2.3
59.09461	0.5
61.98829	1.8
63.02401	1.2
65.00321	3.1
66.49382	0.5
70.41754	1.5
76.73099	0.4
83.01392	1.5
85.02955	2.5
90.82989	0.5
90.95227	0.5
93.03461	4.1
96.96014	2.0
98.20688	0.5
100.09155	0.5
107.01406	5.0
119.05029	16.7
125.02457	0.7
134.03693	0.6
142.30798	0.5
145.02948	0.7
151.00378	22.7
152.00644	0.6
165.01904	0.8
173.04517	1.4
177.01962	3.7
181.48141	0.5
186.15939	0.5
191.02003	0.5
268.03665	1.2
269.04590	1.7
271.06110	100.0
272.06442	6.3
416.22598	0.7
431.09589	1.2
433.11279	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	469.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61692	0.2
56.90141	0.2
59.01387	0.6
61.83619	0.3
61.98812	0.2
75.89949	0.2
78.95896	3.3
79.95740	2.2
85.02937	0.5
93.03406	0.3
96.96011	100.0
96.96910	7.4
97.95939	0.3
98.48071	0.3
106.44492	0.3
164.74016	0.3
165.09189	0.7
167.12399	0.2
173.04582	0.6
209.08229	4.6
210.08673	0.3
316.92902	0.3
333.33853	0.3
371.13434	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	468.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67540	0.2
52.13799	0.2
57.03449	0.6
59.01384	1.8
59.67774	0.2
61.98831	100.0
69.25283	0.2
69.51929	1.1
71.01394	0.9
85.02960	2.0
86.03287	0.4
87.00866	0.6
89.02444	0.3
93.03467	0.4
99.92636	0.2
101.02448	0.4
111.00910	0.6
111.04531	0.3
113.02462	0.4
115.92076	0.5
116.16665	0.2
129.01964	0.4
135.04561	0.5
136.04906	0.4
141.73358	0.2
145.16982	0.2
147.03011	0.5
147.04176	0.2
149.04559	0.5
155.03561	0.6
162.46227	0.2
163.04015	0.3
173.04517	1.3
174.04994	0.4
179.03453	0.5
180.03867	0.4
188.08054	0.3
191.01996	0.9
191.05624	2.1
192.05988	0.6
205.08804	0.2
209.03046	1.2
210.03452	0.4
276.09714	0.5
294.10861	0.3
306.16180	0.2
306.24237	0.2
351.16827	0.3
354.09183	0.6
391.51938	0.2
468.16711	0.3
469.19131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
59.01381	2.6
61.98831	100.0
69.47836	1.4
69.48249	0.7
70.62633	0.3
71.01389	1.3
72.99341	0.3
85.02954	4.4
86.03334	0.6
87.00882	0.9
89.02457	0.6
93.03462	1.4
98.32449	0.3
101.02471	0.8
107.54456	0.3
108.02135	1.5
111.00902	0.8
111.04578	0.7
115.92074	0.4
119.05008	0.7
124.10235	0.3
125.02470	0.4
129.01938	0.5
135.04536	0.6
136.04869	0.4
137.02458	0.4
138.01974	24.1
139.02286	0.6
147.02959	0.5
149.04591	0.7
155.03543	0.9
161.04599	0.3
163.04022	1.3
173.04514	3.1
174.04897	0.4
179.03493	0.5
185.00856	0.4
187.07674	0.5
188.08038	0.7
191.01971	1.4
191.05608	2.6
192.02325	0.6
192.06015	0.9
209.03032	1.5
210.03380	0.7
232.10637	0.5
236.63947	0.3
275.09409	0.3
276.09564	0.4
306.03253	0.5
337.09412	0.4
338.09891	0.5
354.09116	0.9
408.23392	0.5
421.52292	0.3
432.11340	5.9
432.16190	0.5
468.09329	0.4
468.17114	1.1
469.17960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
59.01380	2.1
61.98831	100.0
67.01904	0.5
69.03446	0.4
69.72670	1.6
71.01380	1.3
73.02978	0.5
85.02948	4.9
86.03300	0.9
89.76218	0.3
93.03454	2.3
94.03822	0.6
96.96006	3.2
98.19845	0.6
101.02466	0.5
119.05064	0.4
120.64653	0.4
125.02469	0.6
129.01959	0.7
133.02982	0.5
134.03764	1.4
135.04463	0.7
137.02495	1.2
147.03018	0.9
151.00414	1.1
155.03581	0.5
163.04056	0.5
173.04546	8.2
174.04890	3.2
177.01971	0.5
178.02687	1.3
179.03212	0.6
191.02028	1.0
192.02423	0.5
271.06216	1.8
275.09494	0.4
276.09622	0.6
293.10168	0.4
294.10751	0.6
346.85364	0.4
433.11786	1.1
450.15109	0.4
468.15839	0.4
469.07999	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25404	0.2
57.15929	0.3
59.01388	0.5
61.98830	100.0
69.57110	0.6
69.57510	1.3
70.13405	0.2
71.01376	0.4
72.23907	0.2
75.82446	0.2
83.03841	0.2
125.99255	0.2
136.19255	0.3
174.05058	0.3
194.66174	0.3
468.24255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
60.01727	0.3
61.01813	0.3
61.27155	0.2
61.98832	100.0
64.16048	0.3
67.50065	0.3
70.82578	0.4
70.82907	0.4
71.01432	0.4
71.32867	0.3
85.02975	0.3
91.96635	0.3
195.06665	0.4
215.68829	0.3
266.52646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57423	0.7
55.01879	1.2
57.03449	12.0
59.01376	14.8
60.99288	1.1
61.98832	12.7
67.01888	4.3
69.03455	0.7
70.08675	0.8
71.01379	10.6
72.99316	5.8
73.02938	1.4
75.00871	2.5
81.03445	1.8
83.01389	3.2
83.05013	2.5
84.02161	3.2
85.02950	97.6
86.03307	1.2
87.00881	2.4
89.02438	2.3
93.03462	25.2
97.02957	0.7
99.00881	2.8
101.02443	4.7
103.00349	2.2
109.02953	3.0
111.00864	5.7
111.04502	4.3
111.78307	0.8
113.02470	1.6
115.00376	2.4
121.02973	1.7
125.02422	1.8
126.68469	0.9
129.01947	9.7
133.01410	1.9
133.02946	6.7
134.03725	12.5
135.04541	8.6
137.02444	13.5
139.04010	3.4
147.02992	19.1
148.05316	2.0
150.03210	1.3
155.03453	4.8
161.02399	2.5
161.06079	2.9
162.03227	1.4
163.02522	1.3
163.03947	0.9
167.03537	1.1
173.01204	2.0
173.04544	100.0
174.04874	1.7
177.01935	4.3
178.02716	14.6
179.03488	6.6
189.05563	13.4
191.01965	46.7
192.02318	1.3
206.73053	0.7
209.03011	6.2
223.06026	1.0
225.16135	1.5
231.10307	1.1
247.05821	0.8
275.09213	3.9
293.10373	2.1
320.00150	0.8
326.06451	6.7
352.04196	1.3
370.05441	11.5
407.26160	1.1
449.14825	4.2
458.11359	0.9
467.15759	2.8
467.32266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
55.55957	0.4
57.03447	9.3
59.01381	7.7
61.98814	2.0
67.01896	0.7
68.99834	1.0
71.01376	9.4
72.99306	2.0
73.02946	1.2
75.00890	2.8
83.01401	1.8
84.02169	1.8
85.02953	69.8
86.03287	0.8
87.00877	2.4
89.02440	3.9
93.03467	3.3
101.02456	0.6
103.00372	1.9
109.02922	0.6
110.79787	0.4
111.00894	4.8
111.04528	0.7
112.30103	0.5
115.00392	1.0
129.01949	8.1
133.01418	4.8
134.03711	0.9
135.04547	0.5
135.89246	0.5
137.02448	0.8
147.02991	5.8
155.03534	1.0
159.04494	0.6
171.10297	0.7
172.05280	0.5
173.00887	1.7
173.04570	11.5
174.04938	0.5
179.03470	0.7
187.07640	4.7
191.01978	34.2
191.05493	2.3
202.06342	1.4
209.03027	100.0
210.03400	2.3
213.09248	0.7
231.10194	3.5
257.08243	1.0
275.09158	3.9
276.09625	0.7
293.10333	1.6
371.28842	0.6
409.76151	0.6
410.63782	0.5
449.14694	1.4
467.11963	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	467.1196
Annotation	Catechin-4-ol 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
57.03450	3.9
59.01388	2.2
61.98834	3.2
63.75151	0.4
65.00316	0.5
69.03448	0.6
71.01382	1.4
71.22691	0.8
73.02937	0.6
81.03459	2.1
82.56272	0.4
83.01379	3.1
85.02940	2.6
87.00858	0.4
87.33047	0.5
88.00114	0.5
89.02439	1.0
93.03442	1.9
93.75873	0.4
95.01370	1.7
95.05017	1.7
95.48878	0.5
96.95987	1.5
97.02943	2.4
99.00883	0.5
99.04508	0.9
101.02429	0.8
107.05039	0.6
109.02950	9.4
110.92296	0.4
111.04498	2.6
113.02446	0.6
119.05008	1.1
121.02940	1.5
123.00845	3.0
123.04519	1.2
124.01663	2.0
124.47277	0.5
125.02444	57.2
126.02777	1.7
135.04492	1.8
137.02437	26.4
138.03156	0.9
139.02921	0.7
139.04010	14.3
147.04477	1.1
149.02409	1.0
149.06067	1.1
151.03992	2.0
153.00755	0.5
153.01927	0.9
155.03365	0.5
158.03659	0.5
159.04475	1.3
161.02429	2.1
162.03169	0.9
163.03979	1.4
164.01131	5.4
165.01924	16.6
166.02658	3.0
167.03488	16.3
167.04929	0.7
173.04602	0.8
173.06070	1.1
175.03979	2.8
175.07585	0.6
177.02022	2.7
177.05591	3.8
178.02724	0.6
179.03487	15.9
180.03836	0.5
183.03021	0.5
191.01894	0.9
191.03635	0.4
191.05585	2.1
191.07181	1.7
201.05574	1.8
203.03418	2.1
204.04268	2.7
215.07300	0.5
219.06595	12.9
221.04515	6.1
233.08199	0.7
237.07727	0.8
243.06577	1.6
247.02382	0.6
261.07678	3.9
287.05325	1.0
303.05252	0.5
305.06644	100.0
306.06985	6.0
329.08667	0.6
346.21854	0.4
353.08942	0.5
374.10178	0.5
374.37640	0.5
398.67474	0.5
467.11902	21.2
468.12070	2.3
472.16461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
59.01379	62.6
60.01714	7.1
61.01804	0.2
61.98830	100.0
66.69557	0.3
71.01382	4.1
71.53336	0.4
72.01705	0.6
72.99312	0.3
78.29449	0.2
83.01394	0.7
85.02952	1.9
87.00884	0.3
89.02446	7.3
89.03008	0.4
90.02770	0.9
93.03507	0.5
96.96004	3.9
98.95573	0.4
99.00873	0.3
101.02460	2.9
102.02765	0.6
107.01366	0.4
113.02440	1.9
114.02811	0.5
115.92052	1.0
119.03508	3.7
120.03816	0.7
123.04512	0.3
125.02454	4.7
126.02760	2.2
127.03960	0.3
131.01369	0.2
131.03452	0.5
134.03696	0.3
135.04517	1.2
137.02455	0.4
143.03500	0.7
144.03845	0.4
149.02423	0.4
149.04457	0.3
150.02881	0.3
151.00383	1.2
152.00684	0.5
153.01942	1.2
154.02286	0.5
161.02475	0.3
161.04453	1.1
162.04813	0.3
167.03500	0.2
173.04468	0.3
175.03902	0.4
177.01863	0.7
178.02278	0.7
178.99728	0.7
179.03557	1.1
179.05591	2.6
180.00110	0.6
180.05888	0.9
181.01468	0.3
182.01735	0.3
182.31552	0.2
191.01926	0.5
191.05627	2.2
193.05064	0.6
200.04361	0.4
276.05725	0.4
285.04077	1.6
286.04388	3.3
303.04865	1.7
303.08447	0.6
304.05203	4.2
304.08841	1.2
319.13675	0.4
353.08618	1.1
386.05557	0.3
405.21152	0.4
406.21616	2.9
437.01535	0.3
465.31094	0.3
466.10281	0.3
466.23846	1.4
467.16486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.0
59.01379	4.5
59.01616	0.8
61.98833	7.7
64.23315	0.7
71.01382	3.0
72.99305	2.1
80.91710	0.9
81.46229	0.9
83.01384	0.9
83.01907	0.7
85.02950	28.9
85.07967	0.9
87.00888	1.2
89.02432	1.0
93.03469	5.4
101.02449	0.9
109.02953	1.5
111.00868	1.3
111.04507	2.9
113.02439	2.0
125.02441	1.7
127.04013	1.5
129.01953	2.5
133.02882	1.1
134.03781	3.9
135.04524	47.8
135.86900	0.7
136.04802	1.9
137.02382	1.1
147.03018	2.2
155.03516	2.1
161.02483	4.5
161.07062	0.8
163.04033	1.2
173.03154	1.1
173.04587	13.6
173.06058	1.6
177.09285	1.8
179.03497	46.2
187.07637	3.2
191.02016	10.5
191.05606	100.0
192.05978	2.7
205.08652	0.9
209.03026	17.3
229.02786	1.0
231.10255	2.9
249.11342	2.5
275.09250	6.4
289.07208	1.0
293.10144	4.6
321.15451	0.8
335.07642	1.0
353.08765	41.0
354.09137	2.0
408.17386	0.8
449.14447	2.7
467.16019	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	466.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
60.93247	0.4
61.98830	100.0
64.18005	0.4
66.49432	0.4
69.79440	0.7
69.79854	1.4
71.01398	1.1
73.70539	0.4
85.02963	1.9
89.02413	1.0
101.02451	0.5
123.43556	0.4
126.90531	0.3
129.01924	0.4
135.04549	0.8
140.61887	0.4
163.04036	0.4
169.35291	0.4
173.04660	0.5
179.03482	0.6
191.05681	1.2
353.08701	0.9
406.21378	2.3
424.05301	0.4
448.35016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64911	0.3
59.01390	1.8
61.98831	100.0
69.34017	1.5
69.34431	1.0
70.08950	0.4
78.95911	0.7
85.02976	0.5
97.34978	0.4
112.88464	0.4
119.03516	0.3
129.03337	0.4
138.18678	0.3
152.99586	0.5
153.79414	0.4
173.04614	0.6
209.11932	0.8
209.44026	0.4
214.58372	0.4
229.98529	0.4
269.08322	1.1
303.12375	0.8
304.12888	1.3
466.18552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94131	0.3
55.63828	0.2
59.01376	2.4
61.98830	100.0
71.53717	0.4
78.95916	0.6
94.68427	0.2
131.79663	0.2
173.04552	0.6
328.08414	0.3
466.19931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01381	2.2
60.02637	0.2
61.98832	100.0
67.01891	0.4
69.03455	0.3
69.47814	0.9
69.48239	0.7
71.01379	0.8
83.01379	0.3
85.02951	6.3
93.03475	3.3
101.02471	0.3
107.32761	0.3
111.00877	0.4
111.04562	0.7
125.02507	0.4
129.01968	0.5
133.03003	0.5
134.03748	1.2
135.04567	0.5
137.02472	0.9
143.67520	0.2
147.03036	0.8
155.03537	0.4
166.02762	0.3
173.04550	12.0
177.01894	0.5
178.02766	0.9
179.03508	0.5
189.05592	0.6
190.06209	0.5
191.01962	2.5
191.06853	0.3
203.31151	0.2
209.01059	0.3
241.08746	0.4
275.09454	0.5
293.10168	0.6
303.12451	0.8
304.12643	1.7
308.75943	0.2
359.54791	0.2
370.05563	0.5
466.17990	3.4
467.15924	0.5
488.96118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.2
57.49167	0.5
59.01379	6.9
61.98830	100.0
63.99257	0.5
66.25430	0.5
69.33977	4.0
71.01362	3.2
73.02959	1.4
74.77258	0.6
75.00875	0.6
76.59269	0.6
81.03447	1.0
83.01389	2.3
85.02950	14.0
87.00873	1.2
87.04509	6.4
89.02461	2.3
93.03485	2.6
95.05047	0.8
97.02988	1.6
98.19953	1.1
98.74607	0.5
101.02464	2.4
109.02955	6.8
111.00867	1.3
113.02452	1.9
116.26520	0.5
121.02955	1.1
123.04517	3.1
125.02442	10.5
126.02785	0.6
129.01970	1.7
131.03500	17.8
133.03030	0.7
134.03702	0.7
135.04549	2.0
137.02454	3.8
139.04057	1.2
145.02948	1.5
146.03787	1.1
147.03036	1.5
149.02528	0.7
149.04475	0.7
151.04022	2.5
155.03494	0.8
159.04573	1.6
160.03154	0.6
161.04750	0.6
161.06114	2.3
163.04013	1.1
165.01912	1.0
165.04048	0.8
173.04530	8.3
175.04066	0.6
175.07713	0.7
179.03468	2.8
185.06151	0.6
187.04004	1.2
187.07637	0.8
188.04710	1.3
191.01964	4.9
191.05591	4.0
202.06377	1.2
203.07161	4.3
203.10837	1.6
205.05116	2.0
209.03009	13.8
209.06067	0.7
209.11816	4.4
210.12128	2.7
211.12299	2.8
212.12619	0.7
215.00403	0.6
215.07156	0.7
221.08226	0.8
227.07175	1.3
227.12967	0.8
230.05692	0.7
231.10284	2.2
245.08160	6.0
249.13547	0.8
253.05101	1.8
255.09778	0.6
271.06122	14.6
272.06598	0.8
275.09271	1.1
289.07175	40.0
290.07599	2.1
293.10352	1.6
302.03510	0.8
303.21747	0.6
366.80844	0.6
403.10196	3.4
423.18884	2.3
449.14313	0.6
456.36090	0.5
466.09518	1.1
467.15985	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.3
58.00598	0.7
59.01380	100.0
60.01720	0.8
61.98838	4.2
65.00330	1.4
69.51994	1.1
69.52399	2.1
71.01382	15.6
72.99312	1.1
73.02946	1.3
81.03482	0.9
83.01414	1.9
85.02952	3.8
87.00896	1.8
88.98805	0.5
89.02445	21.6
93.03470	1.1
95.01392	1.7
95.05054	0.6
96.95994	1.5
101.02444	12.1
107.01418	1.9
109.02960	2.2
113.02453	7.8
115.06359	0.5
119.03500	12.5
119.84142	0.5
121.02982	0.9
123.04539	1.7
124.54253	0.5
125.02444	31.4
131.03525	1.2
134.96808	0.5
135.04501	0.5
137.02444	2.1
139.04044	1.0
143.03502	1.2
149.02438	6.4
149.04543	1.0
149.62161	0.5
150.03127	0.5
151.00365	9.1
152.01201	0.9
153.01932	9.1
161.02448	0.6
161.04510	3.7
165.01894	0.7
166.02718	1.4
167.03558	1.4
173.04590	0.9
174.03255	1.1
175.00414	1.6
175.04004	3.6
176.01022	0.6
177.01933	5.7
178.99875	5.5
179.05602	7.4
181.01402	4.4
181.12347	0.7
189.05623	1.7
191.03545	1.4
191.05556	1.1
195.03004	1.0
199.04042	3.2
201.01883	0.7
213.05698	0.7
217.05016	3.1
241.05106	4.7
243.02986	0.6
243.16096	1.6
243.60873	0.6
259.06107	1.8
273.07755	1.5
275.05609	6.2
285.04050	20.8
286.04285	1.0
299.05701	2.1
303.05103	27.0
304.05597	1.4
307.50720	0.5
313.05850	0.7
327.05054	0.6
329.09125	1.1
334.62811	0.5
341.05286	2.6
343.06793	1.8
396.86429	0.5
403.16327	0.6
405.21292	35.9
406.21750	2.2
447.09335	0.9
463.06943	0.5
465.10281	2.6
465.16681	0.5
465.23547	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57835	0.7
57.03442	6.0
58.00595	0.9
59.01381	100.0
61.98837	1.9
65.00340	2.2
69.03436	0.7
71.01382	15.1
71.52196	1.1
72.99307	1.7
73.02949	0.8
78.61392	0.7
83.01382	3.6
85.02960	3.9
87.00882	1.8
89.02448	21.6
95.01395	1.7
96.96032	2.6
101.02451	11.7
107.01411	3.3
108.02158	0.8
109.02957	2.6
111.06167	0.7
113.02448	7.0
113.36987	0.6
119.03504	10.7
121.02945	1.4
123.04551	2.9
124.01669	0.8
125.02447	56.3
126.02837	1.0
131.01393	0.7
131.03505	1.7
133.02945	0.8
137.02467	2.0
139.04059	1.2
140.77185	0.7
143.03522	2.7
143.05006	0.7
149.02428	8.3
149.04546	1.4
150.03246	1.0
151.00366	14.5
151.04028	1.7
152.01128	1.4
153.01944	14.5
161.04556	3.8
163.04051	1.1
167.03514	1.8
167.10886	1.0
173.06108	0.7
174.03250	1.7
175.00418	3.1
175.04066	6.9
175.06142	1.0
177.01932	11.1
178.99861	10.9
179.05643	9.7
181.01445	7.7
188.04881	1.5
189.05606	2.5
191.03557	1.7
191.05762	1.2
193.01448	0.9
195.03026	0.9
199.04086	3.0
201.01990	1.7
215.03783	0.8
217.05045	3.4
229.08670	0.8
241.05132	2.7
243.03049	1.5
243.16005	0.9
259.06198	3.3
267.05389	0.8
273.07773	1.8
275.05576	13.0
275.08014	1.0
276.06091	1.2
284.03494	1.0
285.04025	30.8
286.04370	1.7
290.99231	0.7
299.05685	4.5
303.05096	53.8
304.05457	3.5
327.05392	1.3
341.05075	5.8
343.06763	3.9
349.81802	0.9
405.21262	29.9
406.21872	2.3
437.11212	1.1
447.09656	1.7
465.10870	2.4
465.23795	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06556	1.3
57.03444	7.4
58.00585	3.2
59.01381	100.0
59.62096	1.0
61.98829	22.4
64.31772	1.3
65.00307	4.4
67.01871	1.3
69.44509	3.6
69.44929	5.2
71.01382	50.6
71.05011	1.3
72.99318	2.4
73.02934	5.6
74.56065	1.3
75.00860	3.9
78.91885	1.2
81.03442	1.8
81.13049	1.2
83.01366	4.3
85.02941	12.4
87.00875	3.8
88.31943	1.1
89.02445	60.5
89.87164	1.4
92.06522	1.1
93.03468	2.9
95.01383	4.6
96.96011	13.4
97.02946	1.8
99.00867	1.9
99.04522	1.5
101.02438	29.2
107.01385	7.9
109.02941	3.5
111.00910	1.8
113.02460	19.7
119.03499	24.5
119.04955	1.7
121.02918	1.4
123.04453	1.7
125.02451	15.6
125.08821	2.4
125.09731	40.0
126.10050	1.6
131.03485	3.8
135.04478	2.2
137.02435	3.8
143.03479	5.2
149.02426	1.6
149.04541	2.4
149.09671	1.8
150.03195	4.5
151.00360	27.2
151.03981	5.2
152.01031	2.2
153.01964	2.4
161.04596	6.0
163.00325	1.8
163.04004	2.0
165.01842	1.4
167.10759	2.9
173.04532	6.2
177.01881	3.2
178.99843	3.3
179.05609	19.0
191.05595	3.7
207.13882	2.0
213.05579	1.4
225.14944	17.8
243.15962	2.5
259.02448	1.2
259.06076	2.2
267.02945	1.3
275.05698	1.4
285.03995	18.0
289.06967	1.8
291.08749	4.2
303.05026	4.4
333.15366	1.6
333.19122	1.6
345.19122	3.7
377.11182	1.5
387.20349	1.7
405.21298	82.3
406.21649	5.7
417.21149	1.2
421.20901	6.4
465.10193	6.7
465.23911	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96446	0.5
57.03446	6.5
58.00598	0.8
59.01380	100.0
60.01702	1.2
61.98829	4.7
65.00328	1.3
71.01384	19.2
71.22449	0.8
72.99312	0.8
73.02966	0.6
75.00900	0.6
83.01405	2.2
85.02969	2.5
87.00883	2.7
89.02443	29.0
95.01402	1.4
96.96008	3.9
101.02441	11.6
107.01404	2.7
109.02972	2.3
112.05307	0.9
113.02452	10.1
115.03973	0.6
119.03504	13.7
119.04947	0.7
121.02952	1.3
123.04546	2.3
124.01604	0.9
125.02446	44.1
126.02814	1.0
131.03528	1.9
134.07411	1.8
137.01572	0.5
137.02411	3.0
139.03984	0.6
143.03516	3.5
149.02448	5.4
149.04543	1.4
149.09714	14.2
150.03253	0.6
151.00371	11.2
151.04025	1.5
152.01117	1.5
153.01935	11.7
154.02367	0.6
161.02480	1.5
161.04573	5.0
165.02002	1.3
167.03491	1.2
167.10773	28.3
168.11099	1.0
173.04568	0.9
175.00372	1.3
175.04044	5.0
175.06012	0.9
177.01927	7.7
178.99857	7.2
179.05617	14.1
181.01410	5.5
188.04779	1.3
189.05605	2.4
191.03577	1.0
199.04037	2.4
201.01904	0.7
217.05119	2.9
225.14967	5.7
231.06700	1.0
241.05017	3.0
259.06119	0.8
273.07669	1.3
275.05594	9.4
285.04044	25.6
286.04370	1.3
299.05609	2.9
303.05090	36.6
304.05417	2.2
309.04208	0.8
321.04520	1.7
340.02393	0.6
341.05142	3.4
343.06552	2.7
405.21295	18.5
406.21722	1.3
437.11078	0.7
447.09390	1.5
465.10364	2.6
465.23386	2.3
476.22565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94719	0.4
57.03448	1.1
57.04528	0.4
59.01381	100.0
60.01735	0.5
61.98835	0.8
69.39665	1.8
69.40083	1.5
71.01379	6.9
85.02943	1.1
86.73376	0.4
87.00886	0.4
89.02443	10.7
101.02451	3.6
113.02464	3.1
119.03510	5.6
143.03505	1.3
149.04572	0.4
149.09749	0.6
161.04584	2.0
167.10818	2.4
179.05621	5.1
191.88370	0.4
232.87427	0.4
297.90094	0.5
301.41180	0.4
405.21255	5.1
465.23651	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	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
57.03449	14.4
57.18536	1.1
58.00595	1.7
59.01379	94.1
61.98840	9.9
66.13129	1.3
70.68127	3.4
71.01384	38.7
72.99306	2.9
73.02940	4.3
81.03456	1.7
83.01382	5.1
83.21041	1.3
85.02954	11.9
87.00865	6.0
89.02447	40.8
93.03445	2.2
95.01342	3.1
96.96007	4.0
99.00881	2.4
99.04478	2.7
101.02439	25.4
109.02937	1.9
111.04528	2.8
112.76363	1.2
113.02448	20.1
119.03507	17.8
123.04553	3.1
125.02451	11.5
126.90409	5.2
127.00381	2.0
131.03458	2.5
135.04489	1.4
137.02434	2.2
143.03485	3.4
145.01474	1.3
149.02458	1.6
149.04530	2.1
151.00383	1.2
153.01976	1.2
155.03494	1.4
157.01648	1.1
161.04572	9.2
163.00352	1.5
167.03491	14.0
167.10693	2.0
173.04523	5.5
177.02002	2.7
179.05576	9.2
193.01448	2.0
195.46404	1.1
197.04541	2.2
235.02354	1.5
243.15973	8.4
278.42639	1.2
285.04083	1.7
303.05008	1.9
319.13919	4.1
345.06058	3.9
405.21289	100.0
406.21753	6.9
465.09842	2.3
465.15875	3.9
475.84079	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	465.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04714	0.6
52.58975	0.6
57.03448	9.2
58.10897	0.6
59.01379	8.1
61.98838	5.8
63.02397	1.4
65.00333	2.3
65.98931	0.7
66.50093	0.6
69.17159	0.8
69.17560	5.7
71.01398	2.7
73.02940	1.3
81.03484	0.6
83.01397	5.6
85.02950	1.8
87.00896	0.8
89.02470	1.9
93.03472	2.1
95.01401	2.2
99.00842	0.7
101.02449	2.2
107.01421	3.4
108.02213	0.7
109.02950	3.4
111.00885	1.0
111.04488	0.7
113.02433	1.0
121.02951	1.5
123.00927	1.2
123.04537	3.2
124.01669	4.9
125.02450	100.0
126.02767	1.9
137.02437	4.4
137.70763	0.6
138.03259	0.6
139.04054	1.1
146.03799	1.1
147.04547	1.5
149.02390	5.1
150.03214	2.4
151.00372	14.6
151.03989	5.5
152.01147	11.4
153.01941	12.1
161.02472	1.8
161.04739	0.7
161.06075	0.8
163.00520	0.8
163.04071	0.8
165.01913	1.6
171.04462	1.1
171.10312	1.4
173.02512	0.7
173.04547	2.9
173.05927	1.1
174.03198	2.6
175.04001	20.6
175.05537	1.1
177.01939	22.9
178.99870	14.9
181.01454	2.8
184.31105	0.7
187.07559	0.7
188.04752	2.0
189.05582	5.5
191.03476	1.1
193.05176	1.2
197.06113	1.4
199.04030	10.4
200.04517	0.6
201.01939	2.6
213.05569	2.3
215.03516	1.5
216.04251	1.8
217.05072	12.9
223.53743	0.6
230.37277	0.7
231.06599	1.9
241.05075	8.2
242.02197	0.8
242.05476	0.6
243.02895	1.6
243.11211	0.7
257.04520	2.2
259.06134	5.0
267.02982	0.6
267.11502	0.8
275.05618	5.9
284.03268	1.0
284.11807	1.0
285.04065	74.8
285.12531	2.0
286.04425	4.7
300.03030	1.0
302.03491	2.3
303.05099	66.9
304.05380	4.6
305.06897	0.9
333.15561	6.2
405.21399	2.8
447.09274	1.5
447.17859	1.1
465.10294	66.3
466.10733	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	465.1042
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
54.48610	1.0
57.03443	12.3
59.01370	4.7
61.98819	4.6
62.98491	1.0
65.00319	1.9
69.03449	2.1
69.45425	4.5
69.45840	2.3
71.01369	2.4
75.55880	1.0
83.01377	4.0
85.02940	1.8
89.02431	1.9
91.18878	1.0
95.01366	4.7
101.02435	1.6
102.17266	1.1
106.57470	1.1
107.01380	2.5
108.02089	1.0
109.02949	4.3
109.58230	1.0
110.32756	1.2
113.02396	1.3
121.02942	2.9
123.00874	3.3
123.04505	3.7
124.01663	6.2
125.02445	100.0
125.67535	1.1
126.02756	1.9
133.02950	4.7
137.02448	4.8
139.03995	1.6
146.03755	1.0
147.04515	1.1
149.02422	4.3
149.04465	1.2
150.03192	2.6
151.00369	10.3
151.04021	5.2
152.01163	16.2
153.01958	5.8
161.05989	1.3
163.00403	1.1
173.04578	3.4
174.03281	1.8
175.03957	5.9
176.01128	1.5
177.01923	7.2
178.99884	7.7
185.00832	1.6
188.04744	2.3
189.05569	4.5
191.03525	2.2
191.07126	1.7
193.01482	2.4
193.05029	3.2
199.03975	1.8
215.07138	1.4
217.05069	9.9
231.06650	2.7
241.04964	2.4
259.06168	11.1
274.04822	1.6
275.05582	9.2
284.03302	1.8
285.04041	29.1
286.04416	3.1
287.04379	1.5
303.05115	11.7
418.05707	1.2
437.10907	19.5
447.09286	7.2
448.09418	1.3
465.10336	88.5
466.10602	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	464.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.3
60.01709	0.4
61.01817	0.4
61.98832	100.0
63.99275	0.3
71.01373	0.3
71.53850	0.3
80.68896	0.2
89.02499	0.2
104.95634	0.3
113.02487	0.3
125.02447	0.4
137.02495	0.2
144.08644	0.3
151.00406	0.3
211.39813	0.3
212.84271	0.3
287.05182	0.3
301.03210	0.7
302.04007	0.3
376.23334	0.4
396.94687	0.2
405.12195	0.6
464.09561	0.6
464.21194	0.6
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	Taxifolin 4'-glucoside
Peak:m/z	Relative Intensity
57.03449	7.3
59.01382	8.0
63.02383	1.2
65.00326	3.6
71.01387	3.0
83.01388	4.8
89.02434	4.2
95.01394	1.1
101.02425	1.9
107.01393	6.5
107.20297	0.9
109.02946	5.4
113.02441	2.1
119.03490	1.4
121.02933	1.2
123.04510	4.2
124.01655	2.0
125.02446	100.0
126.02802	2.4
128.27440	0.9
137.02438	3.7
137.61880	0.9
139.04008	3.1
147.04480	0.9
149.02448	13.1
151.00372	28.5
151.04042	2.7
152.01129	2.6
153.01924	25.5
161.02489	1.1
161.04591	1.0
165.01978	1.2
167.03514	2.8
169.01372	1.1
171.04404	1.0
174.03177	1.7
175.00369	5.9
175.04022	9.0
177.01926	16.2
178.99863	22.3
179.03392	1.3
179.05606	1.3
181.01430	15.4
188.04738	3.0
189.05550	3.8
191.03520	2.4
193.01561	0.9
195.02975	2.7
199.03998	5.3
201.01965	1.9
205.01489	1.5
212.04625	1.1
213.05513	1.8
214.69324	0.9
216.04245	0.9
217.05029	6.2
231.06764	1.2
241.05109	5.0
243.02861	1.0
256.03629	1.1
257.04449	0.8
259.06091	4.3
265.59982	0.9
273.07431	1.0
275.05621	23.1
276.05905	1.0
284.03229	1.3
285.04044	54.1
286.04398	3.2
299.05576	7.8
303.05084	96.5
304.05408	5.4
313.05576	2.1
317.06769	0.9
322.30911	0.9
327.05075	2.1
341.05008	8.4
343.06689	6.5
400.70813	0.9
405.21292	6.0
405.78064	1.0
437.11316	1.6
447.09384	4.6
465.10287	3.1
484.36102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14779	0.3
59.01378	14.4
60.66199	0.3
61.98831	100.0
69.74245	0.6
69.74637	0.8
71.01377	1.5
73.02953	0.2
79.03656	0.3
81.88957	0.3
83.01378	0.3
84.40121	0.3
85.02955	0.6
88.58493	0.3
90.18758	0.3
98.98740	0.3
101.02447	1.3
112.32475	0.3
113.02522	0.6
161.04597	0.8
162.21736	0.3
204.22127	0.3
300.02875	0.3
301.03107	0.7
315.18103	1.8
334.72861	0.3
401.94440	0.3
436.47540	0.3
463.14908	0.4
464.09113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01108	0.3
59.01382	3.5
60.01706	0.3
60.57228	0.2
61.01815	0.2
61.98830	100.0
63.99262	0.2
69.35041	0.1
69.47787	1.1
70.83266	0.1
71.01387	0.4
85.02945	0.2
98.19987	0.2
101.02425	0.2
108.80209	0.2
112.60125	0.2
300.02850	0.3
301.03128	0.5
302.03851	0.4
303.12387	0.3
315.18137	0.2
464.09238	0.6
465.17804	0.5
468.58524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3064
Annotation	(+)-Aerocavin
Peak:m/z	Relative Intensity
51.77999	0.2
55.06412	0.3
57.03431	0.3
59.01381	19.6
61.98805	0.3
69.03436	0.4
70.26598	0.9
71.01383	0.5
71.21878	0.3
94.80910	0.2
97.33215	0.3
110.46331	0.3
118.36580	0.3
145.37636	0.4
151.00269	0.3
189.64911	0.3
212.57109	0.3
255.02895	0.4
271.02429	0.7
287.04666	0.7
297.22174	0.6
300.02744	1.5
301.03479	0.9
313.25284	2.2
314.25610	0.3
323.03571	0.3
329.28421	0.9
341.28381	0.9
357.31628	7.9
358.31958	0.8
375.32761	3.2
401.30573	20.3
402.30865	2.4
416.72720	0.3
419.31662	3.2
445.29431	0.9
463.08755	1.2
463.30630	100.0
464.30930	11.6
464.37534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47149	0.4
59.01377	4.4
61.98830	100.0
69.44765	2.1
69.45175	0.8
71.01377	2.3
83.01401	0.4
85.02953	0.5
89.02443	2.6
96.96024	1.5
101.02444	1.1
107.01402	0.7
107.45796	0.3
113.02456	0.9
118.09595	0.3
119.03512	0.9
125.02446	0.9
127.79785	0.3
137.02444	0.4
143.04683	0.3
150.03239	0.5
151.00357	3.1
179.05501	0.8
243.15913	0.4
285.04077	2.0
303.05255	0.4
397.88345	0.4
405.21188	5.8
416.98618	0.4
465.10397	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07518	0.3
59.01378	16.0
61.98830	100.0
70.02182	0.3
71.01401	2.0
73.02944	1.0
78.73180	0.3
85.02969	1.3
89.02458	0.4
99.00903	0.6
99.61533	0.3
101.02445	1.5
113.02458	1.2
149.86682	0.4
161.04616	0.6
200.33778	0.4
315.18204	2.0
357.19394	0.8
405.21106	0.4
423.22198	0.8
463.76035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54356	1.3
53.83213	1.4
55.20936	1.3
56.17039	1.3
57.03440	2.1
59.01378	100.0
60.44893	1.1
61.98831	37.6
64.75069	1.2
65.86219	1.2
69.16078	12.2
71.01384	18.6
72.99311	2.1
75.00868	2.7
78.95906	8.0
78.96486	1.1
83.01385	2.1
83.05065	2.3
85.02956	5.8
89.02452	13.9
93.03462	1.6
95.01411	2.7
97.06615	3.4
97.24031	1.3
101.02450	10.5
111.08150	2.7
113.02467	14.0
119.03537	7.0
121.02929	1.9
129.01987	1.4
135.04396	1.3
143.03476	2.0
151.00359	3.8
152.99596	11.0
161.04561	3.9
163.11269	1.5
165.12839	43.1
166.13211	2.5
179.05620	4.7
183.13878	1.6
191.05510	1.4
197.15465	18.2
209.11829	20.8
223.13414	3.3
227.12837	4.4
230.11198	1.3
240.45221	1.3
241.14430	46.7
242.14713	2.9
243.02977	2.5
253.09303	2.2
255.03026	6.2
256.03021	1.5
261.71802	1.3
265.14465	21.6
271.02414	15.2
272.03021	1.7
283.15616	2.5
285.04074	5.7
286.04465	6.3
287.04565	7.6
295.15515	4.8
300.02744	25.0
301.03464	16.4
302.03604	1.7
307.15250	2.1
463.08783	24.1
463.20532	2.7
464.08231	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
59.01381	100.0
60.01702	1.1
61.98828	33.8
64.44748	0.7
69.03458	1.0
71.01386	6.2
75.00908	0.8
78.95895	3.1
83.05002	1.2
85.02950	3.5
87.00863	0.7
89.02427	4.5
95.01386	1.1
101.02465	4.8
107.01371	1.0
111.08176	4.0
113.02444	5.1
119.03526	1.5
121.02915	0.8
125.02401	1.5
128.37379	0.8
137.02437	1.3
151.00365	2.4
152.99547	2.0
161.04527	2.4
165.12843	60.1
166.13181	2.1
167.03568	0.8
178.99908	1.1
181.12349	0.9
183.13959	0.9
187.44479	0.8
191.10818	1.8
209.11810	26.8
223.13268	1.2
227.10768	1.2
227.12886	17.1
241.14439	15.4
243.03027	2.0
249.09578	1.1
251.12901	1.2
253.09261	4.2
255.02917	3.3
269.04395	0.8
271.02429	7.6
283.15414	2.3
285.04074	3.6
286.04285	3.3
287.04605	6.4
300.02750	10.8
301.03464	7.6
334.24713	0.8
334.71082	0.8
405.38049	0.9
463.08804	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66045	0.2
55.01871	0.4
57.03446	0.5
58.00576	0.3
59.01379	8.1
60.61460	0.2
61.98825	1.6
69.03516	0.2
69.33762	1.9
71.01384	5.2
72.71444	0.2
72.99325	0.3
73.02952	1.7
73.66322	0.2
76.63348	0.2
83.01382	0.7
83.05016	0.3
85.02942	1.9
87.00867	0.8
89.02444	4.7
89.03002	0.3
95.01395	0.6
97.02949	0.4
99.00931	0.5
101.02437	6.4
111.08160	0.6
113.02454	2.6
115.03992	0.3
119.03492	1.0
125.02457	0.3
133.05121	0.3
143.03488	0.4
149.04614	0.3
161.04587	1.7
165.12839	8.2
166.31549	0.2
179.05605	0.7
183.13890	100.0
184.14226	3.8
185.61325	0.3
209.11819	1.9
227.12874	8.6
228.13304	0.3
235.08319	1.0
253.09283	7.6
298.93259	0.2
300.02954	0.5
301.03561	0.5
343.97595	0.2
445.20554	0.8
461.10104	0.3
463.21817	74.5
464.22144	6.8
488.99435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.9
58.00594	1.2
59.01380	22.8
61.98827	1.9
62.69627	0.5
62.80316	0.5
63.02396	0.8
65.00318	1.6
65.89910	0.5
69.03445	0.5
69.17179	1.6
69.17593	3.3
71.01385	14.6
71.05022	0.7
72.99316	0.6
73.02939	3.4
74.13841	0.5
80.02657	1.1
81.03459	1.5
83.01369	2.8
83.05019	5.0
84.02174	1.2
85.02953	5.8
87.00880	1.6
89.02447	13.4
93.03491	1.1
95.01386	1.9
99.00886	1.5
101.02441	10.6
107.01369	2.5
108.02192	1.0
108.24381	0.4
109.02961	1.3
113.02443	7.1
113.06052	0.5
119.03474	4.9
121.02921	2.5
125.02466	1.6
131.03523	1.2
131.07109	0.5
133.02975	1.0
134.03304	0.6
135.00883	1.1
137.09695	0.9
143.03490	1.6
148.01707	1.2
149.02420	0.6
149.04547	1.0
151.00369	10.6
151.11269	0.9
153.09251	0.5
153.12881	1.1
155.10808	3.3
159.02934	0.7
161.02478	0.8
161.04576	4.9
163.00386	1.7
163.11293	3.6
164.01097	1.0
165.12836	2.8
178.99860	3.8
179.05615	5.0
180.00336	0.5
181.12364	1.5
187.04131	0.7
190.99915	0.4
191.10822	0.7
195.13898	2.1
197.15498	0.9
199.03946	1.2
199.09808	1.1
199.13397	1.6
203.03444	0.6
209.11824	100.0
210.12180	4.7
211.04027	0.8
223.13289	0.8
226.02660	1.0
227.03508	2.6
227.12881	19.6
228.13165	1.3
241.14465	22.0
243.03000	8.6
244.03467	0.6
245.04489	0.8
253.09282	13.8
254.02217	1.6
255.02989	20.0
256.03406	1.3
271.02469	46.5
272.03040	4.3
273.04031	1.0
283.02444	0.9
283.15643	0.5
285.04089	6.7
286.04361	5.6
287.04608	10.7
299.01865	1.4
300.02747	87.7
301.03476	43.2
302.04028	2.3
331.14114	0.7
331.17578	2.5
349.18762	1.4
355.51727	0.6
367.13034	0.6
463.08762	73.1
463.21960	10.5
464.09134	6.8
464.22318	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58694	0.6
57.03425	0.8
59.01380	8.1
59.37860	0.5
61.98830	6.5
69.03451	0.6
70.83368	0.8
70.83691	1.5
71.01382	4.6
73.02948	1.7
85.02958	1.6
89.02435	3.7
93.03486	0.8
99.00863	0.7
101.02432	3.7
111.78429	0.6
113.02446	2.4
121.33870	0.7
151.00371	1.0
152.33322	0.9
161.04562	1.3
165.12845	9.3
173.04515	2.9
183.13896	100.0
184.14223	4.8
204.82376	0.6
205.19930	0.6
209.11803	2.4
227.12875	11.0
235.08174	1.0
253.09209	4.0
255.03001	1.1
271.02487	2.8
285.04077	1.7
286.04257	0.9
287.04504	2.2
293.43008	0.7
299.09146	1.3
300.02728	5.3
300.09552	1.2
301.03461	3.4
301.09766	1.9
306.37451	0.8
324.98172	0.7
343.08383	1.0
463.08517	2.9
463.21823	73.1
464.22192	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	463.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.6
57.03455	2.7
57.10075	0.6
58.00563	0.7
59.01379	24.1
60.01674	0.8
61.98799	2.2
63.02402	1.1
65.00305	2.2
69.03433	0.6
71.01013	0.9
71.01384	13.6
71.53281	1.1
71.53671	0.6
72.01685	0.9
72.99297	0.7
73.01795	0.6
73.02930	1.3
77.59876	0.5
83.01382	2.4
85.02941	6.8
86.03284	1.1
87.00866	1.9
89.02443	16.2
92.50072	0.5
95.01363	2.3
97.02941	0.6
99.00867	2.4
101.02438	5.5
103.00346	0.7
107.01390	5.1
108.02191	0.7
109.02925	2.2
113.02448	9.6
114.02764	1.2
115.02847	0.8
119.03493	6.3
121.02929	2.2
125.02423	1.7
131.03481	0.6
133.02968	7.4
134.03291	3.9
135.00865	0.8
135.03481	1.7
135.04492	3.3
137.09694	1.4
143.03494	1.6
148.01608	1.0
149.02405	2.1
149.04535	0.7
150.02812	0.9
150.99205	0.8
151.00374	13.3
151.02831	0.7
151.11263	0.8
152.00679	2.2
153.00894	1.1
153.12863	1.8
161.04558	2.5
163.00392	0.8
163.11244	0.8
175.02512	1.3
175.03961	2.9
176.04326	1.8
178.99884	2.7
179.05609	7.5
179.14389	0.7
181.12318	2.0
185.05910	0.5
195.13933	3.3
197.15453	1.4
198.03133	0.8
199.03976	3.1
200.04376	1.1
201.01886	1.1
201.04466	0.8
211.03954	1.0
215.03488	1.1
216.04103	1.0
217.04903	0.7
218.05334	0.9
223.13361	1.2
226.02695	1.6
227.03439	1.7
227.12889	1.1
229.04939	0.6
239.03378	0.6
241.04996	0.8
241.14432	27.3
242.14827	1.4
243.02983	5.4
244.03310	0.7
249.36505	0.6
254.02219	0.9
255.02982	13.7
256.03238	0.9
271.02466	29.1
272.02969	2.4
273.03949	0.7
279.09296	0.6
285.04034	61.5
286.04376	52.5
286.06766	1.1
287.04596	100.0
288.04831	4.3
299.01758	0.8
300.02740	47.9
301.03455	19.4
302.03809	1.5
327.05133	0.8
329.05682	1.5
357.05798	0.6
359.06720	1.5
383.07251	0.7
463.08417	58.9
463.21780	2.5
464.08884	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	463.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.6
57.03455	2.7
57.10075	0.6
58.00563	0.7
59.01379	24.1
60.01674	0.8
61.98799	2.2
63.02402	1.1
65.00305	2.2
69.03433	0.6
71.01013	0.9
71.01384	13.6
71.53281	1.1
71.53671	0.6
72.01685	0.9
72.99297	0.7
73.01795	0.6
73.02930	1.3
77.59876	0.5
83.01382	2.4
85.02941	6.8
86.03284	1.1
87.00866	1.9
89.02443	16.2
92.50072	0.5
95.01363	2.3
97.02941	0.6
99.00867	2.4
101.02438	5.5
103.00346	0.7
107.01390	5.1
108.02191	0.7
109.02925	2.2
113.02448	9.6
114.02764	1.2
115.02847	0.8
119.03493	6.3
121.02929	2.2
125.02423	1.7
131.03481	0.6
133.02968	7.4
134.03291	3.9
135.00865	0.8
135.03481	1.7
135.04492	3.3
137.09694	1.4
143.03494	1.6
148.01608	1.0
149.02405	2.1
149.04535	0.7
150.02812	0.9
150.99205	0.8
151.00374	13.3
151.02831	0.7
151.11263	0.8
152.00679	2.2
153.00894	1.1
153.12863	1.8
161.04558	2.5
163.00392	0.8
163.11244	0.8
175.02512	1.3
175.03961	2.9
176.04326	1.8
178.99884	2.7
179.05609	7.5
179.14389	0.7
181.12318	2.0
185.05910	0.5
195.13933	3.3
197.15453	1.4
198.03133	0.8
199.03976	3.1
200.04376	1.1
201.01886	1.1
201.04466	0.8
211.03954	1.0
215.03488	1.1
216.04103	1.0
217.04903	0.7
218.05334	0.9
223.13361	1.2
226.02695	1.6
227.03439	1.7
227.12889	1.1
229.04939	0.6
239.03378	0.6
241.04996	0.8
241.14432	27.3
242.14827	1.4
243.02983	5.4
244.03310	0.7
249.36505	0.6
254.02219	0.9
255.02982	13.7
256.03238	0.9
271.02466	29.1
272.02969	2.4
273.03949	0.7
279.09296	0.6
285.04034	61.5
286.04376	52.5
286.06766	1.1
287.04596	100.0
288.04831	4.3
299.01758	0.8
300.02740	47.9
301.03455	19.4
302.03809	1.5
327.05133	0.8
329.05682	1.5
357.05798	0.6
359.06720	1.5
383.07251	0.7
463.08417	58.9
463.21780	2.5
464.08884	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	463.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
56.60399	0.2
57.03444	1.3
58.00596	0.3
59.01380	7.6
61.98819	0.9
69.03429	0.3
69.31270	0.2
71.01384	5.9
72.99306	0.4
73.02959	1.8
74.38643	0.2
80.02678	1.2
81.03457	0.9
83.01376	1.1
83.05029	4.4
84.02169	1.1
84.02589	0.2
85.02956	2.7
87.00871	0.8
89.02447	4.9
93.03459	0.5
95.01402	0.6
95.05025	0.5
95.09579	0.2
97.02932	0.3
99.00878	0.7
101.02441	5.0
107.01388	0.5
107.54647	0.2
111.00896	0.3
113.02453	3.4
115.25081	0.2
119.03490	1.3
119.05046	0.3
121.02947	0.3
123.51421	0.2
125.02448	0.6
125.06087	0.6
127.00278	0.3
127.32211	0.2
131.03505	0.5
131.07040	0.3
133.02962	0.3
135.08165	0.9
137.02405	0.3
137.09718	0.9
143.03494	0.3
147.11838	0.3
149.02469	0.4
149.04576	0.8
151.00343	1.4
155.10783	9.8
155.12090	0.5
156.11093	0.5
161.04570	2.2
162.39992	0.2
163.03981	0.3
163.11288	3.8
165.12837	2.2
173.04541	0.5
178.99838	0.5
179.05644	0.4
181.12375	0.6
191.05556	0.5
191.10793	1.1
199.09753	4.8
199.13353	0.6
200.10191	0.2
208.83435	0.2
209.11821	100.0
210.12172	5.2
227.03455	0.3
227.12878	18.4
228.13264	0.7
235.08153	0.3
243.03030	0.6
253.09279	12.9
254.09763	0.3
255.02863	1.5
271.02515	2.8
272.03000	0.6
285.04037	1.9
286.04382	1.5
287.04578	2.8
289.07095	0.5
300.02728	7.8
301.03510	6.5
317.15982	0.4
331.13931	2.5
331.17633	0.9
349.18683	1.9
463.08716	8.0
463.17694	1.6
463.23151	2.2
464.09027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23447	0.8
58.00599	1.3
59.01379	100.0
61.44268	0.9
61.98836	1.9
69.40214	4.5
69.40627	1.5
71.01380	39.0
72.99309	1.6
83.01377	0.9
85.02941	6.8
87.00865	3.2
89.02441	65.1
95.01390	1.7
101.02442	21.3
113.02443	17.1
117.20545	0.7
119.02664	1.6
119.03503	26.4
125.02415	2.7
131.03499	3.6
143.03487	7.2
149.04533	2.5
152.56601	0.9
153.09200	1.3
161.04550	11.7
179.05603	58.2
180.06020	1.8
205.12367	1.2
223.13506	0.8
241.14333	1.0
259.06387	0.9
287.05533	1.7
295.73816	0.9
301.03574	1.0
385.18842	1.8
401.75259	0.9
403.19656	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	463.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03441	2.8
59.01377	8.9
63.02398	2.6
65.00323	8.9
69.36117	7.3
71.01385	7.0
72.99302	1.8
73.02920	1.8
75.00872	3.5
83.01378	5.6
85.02943	12.9
86.03278	1.3
87.00896	2.2
89.02428	2.1
95.01400	5.1
99.00890	6.2
102.53008	1.0
103.00367	2.8
104.03986	0.8
107.01395	12.9
108.01715	1.2
109.02930	1.4
113.02450	31.5
114.02807	1.1
117.01942	1.8
125.02449	5.3
129.01958	2.4
133.02977	5.9
134.03290	3.0
135.04532	46.4
136.04907	1.7
149.02417	1.1
151.00380	74.9
152.00700	4.2
153.00813	1.1
161.02473	2.4
175.02477	15.8
175.03929	1.3
195.13277	0.9
199.03969	1.8
252.94366	1.0
285.04050	58.6
286.01141	1.5
286.04385	48.2
287.04691	100.0
288.05032	4.6
329.05829	1.0
463.08234	38.4
464.08502	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	463.1092
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
52.83059	0.5
59.01361	0.9
69.95467	2.3
71.15836	0.6
89.02451	0.8
95.01382	0.8
97.02953	0.6
98.20657	0.9
99.00898	0.6
109.06737	0.6
123.00888	5.8
124.01665	24.8
125.02452	23.5
125.41353	0.5
137.23500	0.5
149.02438	0.5
149.99580	32.8
151.00243	1.5
157.14539	0.5
167.03513	1.2
168.00635	90.1
169.01306	5.8
179.03409	1.2
218.36182	0.5
244.60741	0.6
247.69012	0.6
269.06384	0.6
287.07809	0.9
331.06689	3.5
432.04773	0.6
435.20029	0.6
445.09814	1.1
463.10895	100.0
464.11182	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	463.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23114	0.4
53.07006	0.5
59.01383	1.1
69.23047	4.3
71.01374	0.8
73.21088	0.5
80.41501	0.4
83.01384	0.5
85.02983	0.5
89.02426	0.6
107.01386	1.5
114.98836	0.5
148.01648	0.6
149.02434	9.5
151.00365	4.5
155.10786	1.4
161.81036	0.5
175.58633	0.5
177.01964	0.8
191.03476	1.6
209.11838	2.2
210.35809	0.5
215.03506	1.9
217.01204	0.5
227.03442	1.4
227.12787	0.9
233.04562	1.3
239.03497	1.3
243.02950	1.6
253.09415	0.8
255.02971	1.9
263.12997	0.5
271.02521	2.8
272.03259	9.8
273.03699	0.8
279.81488	0.5
283.02286	0.8
285.04120	0.8
286.04443	0.7
287.04431	1.1
300.02744	47.0
301.03510	100.0
302.03885	6.4
331.14017	0.5
423.06241	0.5
463.08813	93.2
464.09125	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	463.0882
Annotation	Quercetin 3-beta-D-glucoside
Peak:m/z	Relative Intensity
59.01376	0.8
61.34752	0.2
61.98814	0.5
63.02402	1.1
65.00314	2.0
69.45729	1.7
71.01376	0.4
83.01403	1.2
85.02969	0.3
93.03430	0.4
101.02442	0.3
107.01395	4.4
107.02063	0.4
109.02957	0.6
121.02940	3.2
125.02427	0.3
141.59435	0.2
148.01649	0.3
149.02428	5.9
150.02766	0.3
151.00357	18.5
152.00670	0.3
159.04506	0.3
161.02451	0.4
163.00357	0.6
164.01137	0.3
169.01483	0.4
173.04453	0.3
175.04013	0.2
178.99849	6.6
187.03973	0.3
189.01799	0.2
191.03549	1.2
191.05241	0.2
192.00510	0.2
193.01436	0.3
201.05600	0.3
203.03476	0.3
207.61301	0.2
211.04091	0.7
215.03513	0.9
217.01561	0.3
217.05035	0.3
227.03465	1.2
229.05055	0.6
233.04515	0.6
239.03510	0.6
243.02937	1.2
245.04526	0.7
255.02992	2.8
257.04349	0.6
271.02448	4.0
272.03116	0.7
273.04034	0.9
283.02380	0.5
285.03967	0.4
287.04498	0.6
300.02740	7.3
301.03506	100.0
302.03876	5.6
313.45300	0.2
445.07745	3.9
446.08200	0.4
463.08743	14.7
463.25488	1.6
464.09119	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	462.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83968	0.2
53.70363	0.2
54.28975	0.2
58.54865	0.1
59.01380	5.5
60.01712	0.9
61.01802	0.9
61.98830	100.0
63.02399	0.2
71.01374	0.8
71.01917	0.5
78.60946	0.2
85.02961	0.6
89.02454	0.4
99.00874	0.3
101.02473	0.4
105.06891	0.2
107.01388	0.2
109.02907	0.4
113.02463	0.7
121.02970	0.2
125.02500	0.3
133.02997	0.4
134.03320	0.2
151.00372	0.8
161.04572	0.3
163.03984	0.2
176.04420	0.3
206.31433	0.2
255.03146	0.3
271.02344	0.3
285.04025	3.5
286.04385	8.6
287.04730	0.4
288.22766	0.5
289.84714	0.2
300.02841	1.0
301.03714	0.5
349.18777	0.2
402.25220	0.3
424.23294	0.2
431.08658	0.2
462.07446	1.2
463.08832	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01379	8.1
60.01717	1.1
60.21917	0.3
60.99302	3.1
61.01802	0.7
61.98829	100.0
65.00308	0.4
71.01380	2.2
71.53902	0.3
72.99310	1.0
73.02958	0.4
76.61880	0.3
81.03462	0.5
83.01397	0.9
85.02953	2.2
87.00884	1.6
88.98804	20.6
89.02452	0.9
89.99138	2.1
93.03463	2.3
94.85573	0.3
99.00893	0.9
101.02442	1.4
107.01420	1.1
109.02966	0.7
111.00888	0.7
111.04551	0.6
113.02433	1.4
114.02837	0.3
116.21447	0.3
119.05025	4.5
120.05352	0.4
121.02988	0.7
125.02477	0.7
129.01945	0.4
133.02953	1.5
134.03322	0.7
137.02454	1.8
139.03983	0.3
145.03020	0.5
149.02431	0.8
151.00340	3.4
151.04001	0.6
152.00748	0.7
155.03557	0.7
161.04546	0.5
163.00432	0.5
163.04008	4.9
163.05269	0.5
164.04320	0.6
165.09201	0.4
173.04518	2.1
175.02629	0.4
175.04010	0.7
178.99838	1.4
183.13893	0.5
187.03920	0.3
191.05630	2.7
192.05927	0.5
199.03934	0.6
200.04404	0.3
209.08243	1.1
210.08456	0.4
211.04018	0.3
227.03447	0.5
243.02997	1.0
251.09270	0.4
255.02994	3.0
255.04988	0.3
256.03381	0.5
271.02472	5.8
282.36658	0.3
283.02686	0.4
284.03067	0.4
285.04019	12.9
286.04376	28.1
287.04581	2.0
299.05331	0.4
300.02734	9.0
300.05969	0.7
301.03516	13.5
301.10797	0.6
357.64343	0.3
358.06625	0.4
371.13370	0.4
399.10831	0.3
445.07761	4.9
462.07242	4.8
462.24713	0.9
463.08707	5.6
463.26337	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	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20660	0.5
56.16391	0.5
63.02397	0.8
65.00327	1.2
69.88310	2.5
73.06091	0.5
83.01392	1.8
94.72769	0.5
107.01398	4.0
108.02177	2.0
109.02959	2.0
115.43417	0.5
121.02930	1.9
124.01665	0.6
135.00887	1.5
148.01674	2.0
151.00368	11.4
159.04503	0.7
163.00414	2.5
164.01143	1.5
174.03336	0.6
178.99864	5.0
183.04575	0.9
192.00677	0.6
198.03201	0.6
199.04091	1.1
211.04018	1.8
215.03511	1.0
216.04251	1.3
226.02646	3.1
227.03465	4.7
243.02974	15.4
244.03558	1.2
245.04515	1.4
254.02141	2.8
255.02980	30.3
256.03384	2.2
271.02463	78.9
272.02899	5.6
273.03967	0.9
283.02380	0.9
287.04657	0.6
299.02060	1.4
300.02737	100.0
301.03464	44.3
302.03909	2.8
343.04584	1.2
463.08810	86.9
464.09198	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	462.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01382	9.9
60.01725	0.6
61.01804	0.9
61.98831	100.0
62.98543	0.5
65.10009	0.4
69.50844	0.8
69.51243	2.4
71.01377	3.4
73.02953	1.1
85.02963	1.2
87.00919	0.5
89.02461	2.0
99.00867	0.6
101.02426	2.7
113.02460	1.6
125.02486	0.5
133.02983	0.5
135.04512	0.4
136.56064	0.4
151.00337	0.5
161.04587	1.1
165.12845	1.6
183.13908	17.3
198.81648	0.4
209.11894	0.5
227.12950	1.5
253.09296	1.0
255.03169	0.5
271.02515	1.0
285.04007	5.4
286.04407	10.6
289.16635	0.8
300.02853	1.1
301.03693	0.8
346.46228	0.4
347.16940	0.5
348.17422	3.0
358.05923	0.4
421.21005	1.4
462.07278	2.1
463.08621	1.3
463.21814	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	462.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81136	0.2
55.86807	0.1
59.01382	1.0
60.50336	0.2
61.98830	100.0
63.02427	0.2
71.01396	0.5
72.54453	0.2
78.95925	0.2
85.02968	0.4
87.00891	0.2
101.02475	0.2
103.33304	0.2
104.02463	0.2
107.01466	0.2
113.02462	0.4
124.01654	0.2
133.02997	0.5
139.04041	0.3
151.00397	0.5
152.99617	0.4
209.11845	0.4
226.79224	0.2
271.02539	0.6
285.04022	4.2
286.04370	8.9
300.02609	0.9
301.03540	0.4
462.07516	1.5
463.08563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94250	0.2
56.88439	0.2
59.01375	1.2
61.98831	100.0
63.65790	0.3
71.01392	0.5
72.75564	0.3
85.02943	0.4
98.19907	1.0
103.72937	0.3
104.92916	0.2
113.02442	0.6
113.27851	0.3
114.33744	0.3
127.44386	0.3
133.03014	0.5
134.03313	0.5
151.00374	0.6
209.11861	0.3
212.60896	0.3
229.02333	0.3
249.16629	0.3
255.03174	0.5
271.02545	1.1
285.04025	4.6
286.04379	10.9
287.04715	0.8
300.02728	1.7
301.03574	0.8
462.07477	2.2
463.08844	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	462.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
59.01379	6.7
60.01722	0.7
61.01797	0.7
61.98830	100.0
62.09883	0.3
63.37391	0.3
69.35446	1.7
69.35858	0.9
71.01389	1.7
78.17255	0.4
83.01386	0.5
83.05048	0.5
85.02962	1.5
87.00903	0.7
89.02476	0.4
93.03486	0.8
99.00900	0.5
101.02466	0.5
107.01410	0.4
111.04518	0.4
112.50404	0.3
113.02501	0.8
119.05030	1.5
120.99660	0.9
125.02410	1.7
133.02959	1.0
137.02470	0.7
150.75986	0.3
151.00412	1.2
163.04033	1.0
165.87125	0.3
169.01454	2.0
170.01802	0.7
173.04572	0.9
191.05722	0.5
242.38828	0.4
243.02832	0.5
244.03342	0.4
255.02954	1.0
271.02472	2.2
272.02759	0.4
285.04001	8.7
286.04382	19.8
287.04834	0.9
300.02945	2.8
300.06027	0.6
301.03479	2.7
301.20282	0.4
313.03574	1.3
314.03818	2.5
328.05698	1.1
329.06354	1.6
445.07831	0.7
462.12076	5.8
463.08514	2.4
463.25787	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	461.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17336	0.2
54.74177	0.2
57.03432	0.4
59.01379	6.7
60.01690	0.3
61.01772	0.5
61.98830	5.5
63.02370	0.3
65.00313	0.3
70.71130	0.4
71.01383	3.2
72.08064	0.2
72.36373	0.2
72.99274	0.3
73.02952	1.2
74.36005	0.2
75.00846	0.2
78.04756	0.2
81.03422	0.4
83.01357	0.7
83.04987	0.7
85.02467	0.2
85.02948	2.2
87.00845	0.7
89.02457	0.9
93.03456	2.7
95.01347	0.3
97.02982	0.2
99.00818	0.6
99.08138	1.4
101.02438	1.6
107.01347	0.8
109.06599	0.2
111.04529	2.0
111.68768	0.2
113.02444	2.1
119.03438	0.3
121.02935	0.3
125.02422	0.5
127.04034	0.3
127.11303	0.3
129.01923	0.3
129.09148	0.2
133.02954	1.9
137.02432	0.5
139.11275	0.2
141.12848	1.4
143.03455	0.2
149.02397	0.4
151.00346	1.4
155.03485	2.9
155.14346	0.4
159.02942	0.2
161.04532	1.3
169.01474	0.5
173.04541	6.2
173.06038	0.3
175.02567	0.2
175.03967	0.5
185.11964	0.2
191.05577	1.2
199.03970	0.6
211.20610	0.3
217.04968	0.4
239.20085	0.2
241.04968	0.3
241.21701	0.9
243.03043	0.3
269.21173	2.1
284.03204	0.3
285.04041	31.2
285.20566	1.3
286.04364	2.3
287.22263	100.0
288.22607	6.1
299.05765	0.2
299.09116	0.8
315.14813	0.2
315.18225	1.0
327.05377	0.3
357.06183	0.5
423.22372	0.9
446.54410	0.2
461.07086	4.3
461.27646	18.7
462.07571	0.6
462.28030	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01726	0.6
61.98827	5.3
71.01395	4.0
71.01745	0.6
73.02954	1.2
77.81020	0.4
83.01388	0.8
85.02956	2.7
89.02460	1.6
95.01404	0.5
99.00899	1.3
101.02444	2.8
107.01419	0.5
113.02470	1.8
119.44257	0.4
133.02948	2.3
134.54181	0.5
149.02527	0.5
151.00412	1.2
161.04558	4.2
175.04010	0.6
199.04073	0.7
201.01878	0.6
225.79523	0.4
285.04044	31.2
286.04401	2.2
401.25497	7.2
402.25787	0.7
461.07187	4.0
461.28018	2.4
462.27548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01714	0.7
61.98827	0.5
70.28176	0.7
71.01385	3.2
73.02940	1.0
83.01389	0.5
85.02962	1.4
88.81183	0.2
89.02451	0.8
89.32213	0.2
95.01393	0.4
99.00867	0.4
101.02446	2.5
113.02451	1.5
119.03530	0.3
137.04326	0.2
159.03033	0.6
161.04544	3.3
167.79517	0.2
185.71243	0.2
251.35612	0.2
285.04056	4.2
286.04285	0.4
401.25427	9.6
402.25931	0.8
445.24207	0.4
461.07278	0.4
461.27618	3.0
462.27661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.3
59.01379	2.4
60.01707	0.3
60.99307	13.0
71.01393	0.6
71.53519	0.4
73.02948	0.3
76.19585	0.2
83.01401	0.3
85.02943	1.1
88.98806	100.0
89.99139	0.8
99.35268	0.3
113.02467	0.5
121.53864	0.3
123.81735	0.3
125.02412	0.3
130.18033	0.2
133.02959	1.1
151.00398	0.7
165.09171	0.6
175.03987	0.4
209.08205	3.6
209.20203	0.3
210.08572	0.5
211.08717	0.3
241.05154	0.5
257.08173	1.3
285.04034	17.0
286.04633	1.2
461.07037	2.2
461.23914	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	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	21.3
59.01381	65.2
60.52304	2.2
61.98838	5.2
69.03451	2.8
69.47166	15.8
71.01382	40.2
72.99307	2.9
73.02944	9.8
81.03490	3.1
83.01379	5.2
85.02948	16.3
87.00880	7.1
87.04471	2.2
87.19212	2.4
89.02447	26.8
89.02944	2.9
93.03455	5.5
95.01394	4.7
95.04996	3.0
96.96030	4.1
97.02946	6.8
97.31880	2.2
98.43981	2.3
99.04533	4.6
101.02448	20.5
109.02991	3.3
111.04555	3.0
113.02444	18.8
119.03516	12.0
121.02938	2.8
123.04485	11.0
123.08183	7.1
125.02441	9.7
131.03496	4.1
133.03017	3.3
135.04524	7.1
137.02458	3.2
139.07631	2.6
143.03494	4.2
148.05231	2.9
149.04604	3.3
149.06099	2.2
151.03972	3.5
151.07629	19.3
153.05582	2.7
161.04578	28.0
161.09734	7.5
163.07693	11.4
165.09262	5.9
167.03497	21.8
173.04552	3.8
175.11234	2.7
177.09251	5.5
179.03630	2.3
179.05620	13.9
179.07072	4.7
179.10748	14.2
188.08424	9.1
191.05736	2.2
193.12338	3.0
199.04039	2.9
203.10782	65.0
203.12685	3.2
204.11003	2.8
209.04535	27.2
221.11816	100.0
222.12175	6.4
239.05583	28.9
271.02740	3.0
281.06967	3.1
285.04059	52.8
286.04410	4.9
299.02020	5.2
299.07770	5.6
371.07523	5.2
383.17120	8.4
401.08731	5.9
401.18140	9.2
461.07205	7.9
461.15997	4.0
462.07547	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	461.1091
Annotation	Diosmetin 3'-glucoside
Peak:m/z	Relative Intensity
51.08775	0.3
51.97689	0.3
55.82167	0.3
57.03418	0.4
59.01378	6.3
61.98798	0.6
63.02375	0.3
65.00302	0.7
66.28538	0.3
69.35597	2.1
71.01378	3.2
72.99276	0.4
73.02903	0.4
75.00840	0.6
83.01351	0.5
85.02947	2.4
87.00826	0.9
89.02446	2.5
93.03434	0.5
95.01347	0.3
99.00857	0.8
101.02381	1.0
107.01400	1.6
113.02446	2.2
117.01941	0.3
119.03440	1.2
119.04955	0.8
120.99656	20.0
121.02928	0.3
125.02442	0.4
130.75800	0.3
131.03418	0.6
133.02957	3.0
135.00839	0.3
135.04474	0.4
147.04520	0.3
149.02374	1.1
149.04373	0.3
151.00386	2.7
161.04523	0.7
163.03986	0.5
166.05096	0.3
175.02539	0.4
175.03958	1.2
179.05513	1.0
183.04442	0.4
187.04007	0.4
191.05748	0.3
199.03955	1.1
201.01942	0.3
207.10260	0.4
211.03954	0.6
215.03467	0.5
217.04938	0.5
221.06630	0.3
225.11472	0.3
227.03578	0.7
241.04991	0.4
242.02351	0.4
243.03032	0.5
253.05115	0.4
255.02974	89.9
256.03360	5.7
257.04529	0.4
268.03799	1.0
269.04477	4.6
281.04584	0.4
281.17441	0.4
283.02463	62.0
284.03171	13.2
285.04028	53.8
286.04395	2.9
297.04022	13.6
298.04788	17.4
299.05560	9.0
299.08289	0.2
300.05960	0.4
307.82593	0.3
309.60031	0.3
313.03510	4.8
327.05078	1.0
357.06204	0.4
446.08533	21.7
447.08804	2.0
461.11026	100.0
462.11362	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	461.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.5
61.98789	1.7
63.02370	1.0
65.00306	1.0
69.23199	3.6
69.23608	1.6
71.01332	1.6
72.99265	0.8
75.42767	0.6
78.04012	0.5
82.16767	0.6
83.01347	0.8
85.02906	1.7
87.00839	0.7
89.02404	0.9
93.03419	0.7
95.01356	0.7
96.73118	0.6
107.01346	1.7
108.17359	0.6
113.02406	1.9
119.05003	1.3
131.48984	0.6
132.19345	0.6
133.02974	2.9
149.02417	1.5
151.00346	3.0
163.03951	0.7
171.15570	0.8
191.05609	0.7
199.03906	0.7
240.04193	1.0
241.05121	0.7
255.02979	81.5
256.03516	8.0
267.02969	1.0
268.03818	4.4
269.01666	1.0
269.04523	19.2
270.04929	1.3
281.04489	2.1
283.02472	57.6
283.99918	1.0
284.03210	35.7
285.04025	47.7
286.04550	3.0
295.02655	1.1
297.04034	54.0
298.04785	64.5
299.05573	92.7
300.05859	4.7
309.04065	0.8
312.06656	0.9
313.03555	2.0
327.04971	1.7
341.06580	3.1
446.08423	5.3
447.09662	1.0
461.11026	100.0
462.11487	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	461.0724
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
50.74080	0.2
57.03440	0.5
59.01376	1.7
60.38356	0.2
63.02390	0.8
65.00320	1.0
69.57709	1.2
71.01060	0.2
71.01386	2.2
72.99303	0.3
73.02936	0.2
75.00852	0.7
83.01370	0.6
85.02956	2.8
87.00873	0.9
89.02421	0.4
95.01382	0.7
99.00880	1.0
103.00333	0.3
105.03494	0.3
107.01397	1.3
109.02941	0.8
109.49966	0.2
113.02427	2.0
115.00367	0.4
117.01938	0.4
121.02937	0.6
133.02954	6.0
144.67842	0.2
145.40854	0.2
149.02461	1.7
151.00368	3.2
165.31816	0.2
171.04483	0.3
175.02466	0.6
175.04002	1.9
177.01930	0.4
185.06006	0.4
197.06108	0.3
198.03198	0.3
199.04036	1.9
201.02005	0.6
213.05492	0.4
215.03464	0.2
217.05005	1.2
223.04060	0.2
229.04953	0.2
240.04274	0.2
241.05144	0.7
243.02905	0.6
257.04541	0.3
257.24408	0.2
284.03204	0.4
285.04028	100.0
286.04370	6.6
286.07364	0.4
297.04065	0.4
327.05136	1.5
355.04660	0.4
357.06204	1.3
369.06323	0.2
461.07254	12.6
462.07492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.3
60.99302	1.1
61.98832	17.0
67.01880	4.2
69.53201	4.7
71.01406	4.7
72.99277	0.9
81.03429	0.8
83.01392	1.0
83.05022	0.8
85.02925	1.1
89.02442	1.3
93.03458	23.0
96.82449	0.8
101.02448	1.0
111.00881	1.4
111.04542	3.9
113.02428	1.4
120.99609	1.0
121.02950	1.4
123.04487	0.7
127.02847	0.7
129.01947	0.7
133.02969	0.9
137.02449	3.4
149.02425	12.5
150.02795	0.8
155.03511	4.1
164.04764	8.1
167.03429	1.4
173.04543	100.0
174.04895	2.9
209.04596	2.1
223.06122	13.9
239.05730	1.2
285.04050	12.4
374.77679	0.8
397.11383	20.7
398.11743	2.1
414.29755	0.8
461.06998	1.4
470.71912	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77489	0.2
52.29598	0.2
57.03429	0.6
59.01385	3.2
62.39656	0.3
62.60912	0.2
62.67603	0.2
63.02396	1.1
63.34694	0.2
65.00315	0.9
66.36279	0.3
68.99802	0.2
69.00713	0.2
70.82234	0.5
71.01389	2.6
72.99312	0.5
73.02939	0.3
75.00857	0.9
82.15314	0.2
83.01385	0.5
85.02946	2.6
87.00871	1.0
88.11430	0.2
89.02449	0.9
95.01395	0.7
99.00880	1.1
103.00365	0.3
105.03474	0.3
107.01382	1.8
109.02943	0.7
113.02460	2.7
115.00339	0.3
121.02935	0.7
129.01945	0.4
133.02960	6.0
134.03360	0.3
134.54201	0.2
143.05034	0.3
149.02452	1.5
149.28177	0.3
151.00354	3.6
151.04053	0.2
154.53519	0.3
167.03537	0.7
171.04523	0.3
175.02548	0.5
175.04004	2.2
177.01892	0.4
185.06071	0.5
187.03912	0.3
198.03200	0.3
199.03992	2.3
199.70349	0.3
201.01907	0.8
212.04721	0.3
213.05536	0.6
217.05013	1.0
223.03970	0.4
239.03284	0.2
241.05052	0.5
243.03087	0.5
257.04614	0.4
267.02902	0.3
284.03268	0.6
285.04031	100.0
286.04385	5.3
286.47369	0.2
296.73831	0.2
297.04126	0.5
327.04956	1.2
340.09427	0.3
355.04535	0.3
357.06113	1.2
369.06204	0.2
461.07233	11.2
461.12552	0.5
462.07697	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	459.2601
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
53.18263	0.3
55.01876	0.4
56.57709	0.3
57.03447	0.6
59.01381	100.0
60.01722	1.0
61.98833	0.9
65.32129	0.3
69.39362	1.8
71.01382	6.2
73.02949	2.0
73.23175	0.3
83.01403	0.9
85.02957	3.3
87.00912	0.4
89.02468	1.4
95.01406	0.4
99.00903	1.0
101.02439	4.6
113.02435	2.6
119.03482	0.5
128.85907	0.3
143.03516	0.5
159.03011	0.8
161.04547	5.6
161.05724	0.5
164.66614	0.3
255.19749	0.6
327.21765	0.5
399.23859	6.6
400.24384	0.8
405.12360	0.3
417.24844	1.6
459.26074	1.0
478.95874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.5
59.01379	100.0
60.01716	0.7
61.98840	1.5
69.45315	1.3
69.45724	1.1
71.01381	3.6
73.02959	1.2
85.02956	1.7
89.02460	1.2
95.14507	0.4
98.20665	0.7
101.02455	2.3
108.75145	0.4
113.02467	1.3
146.47017	0.4
159.03058	0.9
161.04558	4.3
276.13284	0.4
297.07663	0.4
354.35696	0.4
399.23804	6.7
443.22870	0.8
459.26089	1.4
468.75497	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2905
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
50.98263	0.2
55.43231	0.2
58.55198	0.2
67.84392	0.2
71.22187	0.4
79.40761	0.2
103.44222	0.2
107.05032	29.4
108.05396	0.6
118.48779	0.2
147.08173	0.6
163.11288	100.0
164.11598	3.6
172.14108	0.2
238.09967	0.3
264.71176	0.2
280.14679	0.5
283.17038	25.3
284.17404	1.7
295.17026	13.5
296.17441	0.9
447.76746	0.2
459.29047	84.3
460.29382	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25025	0.3
59.01379	100.0
61.98830	0.8
63.46795	0.4
69.69711	0.3
70.65546	0.4
70.65892	0.8
71.01377	4.5
73.02936	1.8
83.01395	0.7
83.04677	0.4
85.02936	2.7
87.00854	0.6
87.82226	0.3
89.02461	1.5
95.15569	0.3
99.00882	0.4
100.66565	0.4
101.02437	3.4
113.02441	2.6
120.99654	4.1
159.03053	0.6
161.04543	4.8
165.09303	1.2
200.25951	0.3
209.08163	7.1
209.10030	0.4
210.08684	0.5
255.06621	0.4
307.32953	0.4
341.46719	0.4
371.13495	0.7
399.23883	8.1
400.24615	0.7
412.65311	0.4
459.25845	1.6
481.48593	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24063	0.3
50.98228	0.3
55.01879	0.5
59.01379	100.0
61.98830	1.1
62.09413	0.4
69.59310	2.3
71.01381	5.2
73.02942	1.9
81.03443	0.7
83.01398	0.9
85.02947	3.0
89.02443	1.7
95.01368	0.4
99.00890	0.8
101.02431	3.4
113.02450	3.9
119.03517	0.4
121.02970	0.9
125.02522	0.5
125.06071	0.5
143.03500	0.5
161.04576	4.0
165.09235	1.3
166.09560	0.8
191.03505	0.4
209.08208	5.4
210.08508	3.5
211.08679	4.7
345.15488	1.8
399.23877	5.3
400.23947	0.4
417.25214	1.2
419.86102	0.4
459.26205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
57.03447	3.4
58.00616	0.3
59.01380	100.0
60.01713	1.1
61.98827	2.2
65.35226	0.3
69.39689	1.3
69.40121	0.9
71.01385	4.9
72.99308	0.4
73.02958	0.9
76.67671	0.3
79.85067	0.4
83.01408	0.7
83.59870	0.3
84.02185	0.9
85.02950	22.5
87.00897	1.2
88.98824	0.8
89.02451	5.3
93.03475	0.8
95.01368	0.4
99.00922	0.4
101.02445	2.8
103.00394	0.3
103.05569	0.3
111.00873	0.5
113.02434	1.7
119.03508	1.7
119.05012	0.3
125.02457	0.7
129.01949	3.1
131.03528	0.5
133.05081	0.3
143.03542	0.8
147.03018	3.4
147.04480	0.7
151.00409	0.6
161.04572	1.8
173.00896	0.9
173.04674	0.4
179.03658	0.3
179.05556	1.6
191.01985	8.4
191.03558	7.6
195.81305	0.3
209.03038	2.6
253.66972	0.3
267.12323	0.7
279.15970	0.6
297.07822	2.0
353.42456	0.4
399.07269	0.4
399.23907	2.3
441.14139	1.0
459.08511	0.5
459.14899	3.3
459.26514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
58.00607	1.2
59.01379	100.0
61.98832	0.9
69.40886	2.7
69.41305	1.0
71.01381	28.9
72.99307	1.8
73.02934	2.5
83.01398	2.2
85.02955	6.0
87.00893	2.1
89.02444	38.5
95.01402	2.0
99.00869	1.1
101.02443	17.6
113.02447	11.3
115.38786	0.5
116.92883	0.8
119.03496	15.4
131.03528	1.8
134.08450	0.5
143.03526	3.2
149.04587	2.1
159.02943	0.8
161.04546	8.3
179.05586	8.2
218.24432	0.5
399.23938	8.3
400.24384	0.7
418.38770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03452	1.3
58.00605	0.7
59.01379	100.0
60.01717	0.8
61.98833	2.7
71.01380	26.5
71.53468	0.5
72.01729	0.4
72.99297	1.4
73.02943	6.2
75.00902	0.3
81.03468	1.0
83.01392	2.6
83.05025	4.4
85.02947	9.5
86.00153	0.3
87.00874	1.8
87.04527	0.4
89.02442	18.1
93.03440	0.4
95.01377	1.3
97.02959	0.3
99.00849	1.9
99.08187	0.5
101.02440	18.8
101.06116	0.3
101.59792	0.2
111.04543	0.4
113.02445	10.7
114.02839	0.3
119.03502	7.5
119.04349	0.5
121.03036	0.3
125.02482	0.8
129.01947	0.3
131.03514	0.7
143.03500	2.7
149.04512	0.7
149.13394	0.7
155.03558	0.3
159.02988	2.0
159.06630	4.5
161.04555	15.4
173.04572	1.5
179.05612	4.9
180.05939	0.3
180.38637	0.3
202.57118	0.3
205.03583	0.5
219.17590	0.4
237.18658	0.5
249.09775	2.3
285.20697	13.5
286.21243	0.6
399.23837	11.0
400.24292	1.1
459.26035	2.9
460.26465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13078	0.2
52.86015	0.2
53.93472	0.3
54.94053	0.3
57.71984	0.2
59.01384	0.4
59.82611	0.3
61.98830	1.1
63.28777	0.3
68.83892	0.4
68.87920	0.2
71.51709	0.3
71.52096	0.3
82.89845	0.3
94.96320	0.3
99.92575	2.2
100.93365	3.3
115.92078	100.0
116.92088	3.7
116.92878	2.0
117.92522	0.4
121.02972	0.6
132.92354	1.4
151.47121	0.3
161.47702	0.3
197.05995	0.4
255.03008	0.5
283.02460	0.3
459.14786	3.5
459.27002	0.3
459.34793	0.3
460.15421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.1
64.47053	0.5
69.32722	3.6
70.29754	0.4
71.01379	1.1
73.02946	40.7
89.02447	1.2
91.79098	0.5
95.92278	0.5
99.00884	4.5
99.07846	0.5
101.02428	0.9
106.96303	0.4
113.02499	0.7
116.92879	1.1
117.01940	100.0
118.02281	1.5
118.05121	0.7
119.03513	0.6
119.05013	0.5
165.05580	1.0
195.49255	0.5
235.39601	0.6
319.41293	0.5
341.11017	2.6
406.07129	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
57.03452	0.7
58.00595	0.3
59.01379	100.0
59.26112	0.3
60.01724	0.8
61.98834	1.3
69.29252	2.6
71.01381	12.8
73.02946	3.6
73.10654	0.3
73.68548	0.3
75.60812	0.3
79.68221	0.3
83.01392	1.2
85.02947	6.4
87.00887	1.1
89.02444	5.2
89.02948	0.5
90.81055	0.3
93.03478	0.4
95.01421	0.8
99.00877	1.5
101.02444	9.2
113.02447	6.1
113.03165	0.5
115.09998	0.3
117.62189	0.3
119.03490	1.9
119.04965	0.3
121.06607	2.0
125.02449	0.8
129.01933	0.5
130.08719	0.5
131.94547	0.3
143.03500	1.3
152.39592	0.4
159.02951	1.5
161.04555	17.8
173.04556	0.3
179.05659	1.1
235.17035	0.6
241.05299	0.4
242.05869	0.4
257.08249	0.6
324.02115	0.3
326.64243	0.3
397.22263	12.0
398.22690	0.8
413.24063	0.7
457.24619	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	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01379	100.0
60.01716	0.8
61.98839	2.1
69.03468	0.4
69.50174	2.3
71.01383	8.6
73.02953	4.3
83.01392	1.6
85.02960	2.4
87.00884	0.8
89.02439	5.3
95.01430	0.4
97.02949	0.4
101.02438	6.1
113.02454	4.1
119.03485	2.3
143.03532	1.2
149.04543	0.5
159.02946	0.4
161.04539	7.2
163.04013	0.4
179.05656	1.6
305.06674	0.4
310.00906	0.3
393.55688	0.4
397.22336	4.6
398.22299	0.4
457.24603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05106	0.1
62.25142	0.1
64.59653	0.1
76.92123	0.1
91.00799	0.1
99.92581	5.5
100.92683	0.3
100.93365	5.4
101.93361	0.3
113.92572	0.2
115.92076	100.0
116.92080	3.6
116.92863	6.3
117.92840	0.2
118.26315	0.1
130.94455	0.2
132.24278	0.1
132.92357	1.3
142.94427	0.2
155.95180	0.2
170.14696	0.1
172.95459	6.2
173.95537	0.3
243.66907	0.1
283.26328	0.8
383.18875	0.6
399.18570	0.3
409.20483	1.2
439.21548	0.2
457.22623	6.5
458.22812	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54936	0.3
57.03438	0.4
59.01381	4.6
62.08400	0.2
65.00318	0.5
69.63363	1.2
69.63772	0.5
75.73369	0.3
81.03458	3.6
83.01386	0.6
98.19884	0.3
99.08144	0.7
101.06089	0.5
107.01398	0.6
119.63842	0.2
123.08152	1.7
124.01678	0.4
125.02462	3.8
125.06069	4.2
136.05284	0.7
147.08134	0.9
149.02446	0.4
151.00346	0.8
165.09201	18.7
166.09540	1.0
191.07127	1.6
205.08856	0.4
209.08183	100.0
210.08530	4.9
233.08128	0.5
251.09264	0.8
413.14590	2.6
414.15240	0.3
450.29495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03440	1.2
58.00588	1.7
59.01379	83.1
60.01697	0.6
61.98813	0.5
62.78459	0.4
64.06590	0.4
69.03458	1.2
69.44418	2.0
69.44823	0.6
71.01380	40.4
72.01727	0.8
72.99300	1.4
73.02946	38.4
74.03278	0.5
75.00879	0.6
78.80383	0.4
81.03462	1.1
83.01387	6.3
83.93828	0.4
85.02940	7.7
87.00872	1.2
89.02443	37.0
90.02740	0.6
93.03431	0.8
93.29269	0.4
95.01386	1.8
97.02962	1.4
98.19844	0.6
99.00879	100.0
100.01227	1.3
101.02441	23.6
102.02790	0.4
109.02937	0.4
111.00877	0.7
113.02446	16.8
119.03499	4.2
119.05013	1.1
123.04546	0.6
125.02454	5.3
127.00274	0.4
127.04028	0.6
129.01871	0.5
131.03497	13.3
137.02475	0.8
143.03510	4.4
149.04552	37.5
150.04868	0.7
155.03468	4.0
159.61577	0.4
161.04549	10.3
163.03966	1.1
173.04581	1.0
179.05635	0.7
191.05606	43.9
192.05934	1.5
203.05606	15.2
221.06587	0.9
233.06612	5.5
283.11719	0.5
284.03311	0.6
293.08643	0.9
299.05548	0.9
335.09851	0.7
349.22733	0.4
351.32547	0.5
395.13251	0.6
397.14828	0.6
415.16071	8.9
416.16388	0.8
456.53568	0.4
457.17130	18.4
458.17392	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	457.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.1
59.01381	5.6
60.99303	1.9
61.98824	0.7
69.03481	0.8
69.49118	4.1
69.63881	0.6
71.01371	1.9
73.02956	0.9
81.03464	2.7
83.01401	3.4
83.75777	0.5
85.02956	1.8
88.98802	9.9
89.02431	0.9
93.03464	3.8
95.01406	1.9
95.05022	1.4
97.02950	1.9
98.19782	0.7
99.04514	1.2
101.02428	1.1
109.02962	6.9
111.04514	3.5
113.02426	1.7
119.05019	2.3
121.02988	1.6
123.00901	4.9
123.04508	1.7
124.01631	1.5
125.02448	60.5
126.02782	1.8
126.77546	0.7
134.03740	0.6
135.04512	1.5
137.02444	28.1
137.06030	0.7
138.03125	1.3
139.04013	11.6
140.04431	0.8
147.04565	0.7
149.06090	2.1
151.03987	1.2
159.04547	1.5
161.02466	2.2
163.04016	2.7
164.01146	4.3
165.01939	16.1
166.02638	1.9
167.02177	0.9
167.03511	15.1
168.03877	0.7
169.01439	2.1
173.04575	5.9
173.05940	1.0
175.03998	3.4
177.01906	1.3
177.05576	3.2
178.02660	0.8
179.03505	14.2
179.05156	0.8
180.03880	1.1
180.12241	0.6
181.05106	0.9
181.77831	0.6
181.79564	0.6
182.72690	0.7
190.75879	0.7
191.03442	1.1
191.05583	1.5
191.07245	1.5
201.05531	0.9
203.03516	2.6
204.04254	2.3
207.10234	1.1
219.06616	12.2
219.10242	0.7
220.06926	0.8
221.04575	6.2
223.00177	0.6
237.07623	1.1
243.06616	1.7
247.02327	0.8
250.62950	0.7
261.07584	4.0
287.05219	0.7
305.06665	100.0
306.07010	6.2
331.04514	1.3
349.25089	0.6
359.07114	0.6
367.10239	1.8
370.07108	0.9
457.07773	26.2
458.08102	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	457.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47255	0.4
55.01885	0.4
59.01385	1.0
59.76445	0.3
62.36826	0.4
65.11837	0.4
71.01388	1.5
73.02941	0.8
84.06110	0.3
85.02943	0.5
89.02435	0.7
93.03474	0.6
96.70847	0.4
99.00884	1.7
100.22614	0.4
101.02431	0.7
119.05025	100.0
120.05370	3.6
121.02957	0.4
125.02417	0.5
133.06526	0.7
161.06081	0.7
163.04007	54.3
164.04280	2.6
205.05048	1.0
310.28299	0.4
325.09332	0.5
355.62628	0.4
457.13489	69.1
458.13876	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.8
59.01383	4.9
60.99298	0.6
61.98827	1.2
67.01904	0.9
69.03456	2.4
70.66534	1.0
71.01381	2.8
73.02952	1.3
75.61189	0.4
79.01899	0.6
79.83771	0.4
81.03461	2.1
83.01367	2.1
85.02941	1.3
87.00884	0.7
88.98813	4.0
89.02453	1.3
89.50142	0.4
93.03463	3.6
95.01396	1.2
95.05036	1.0
96.96005	4.4
97.02953	2.5
99.04530	0.6
101.02454	1.7
105.03482	0.9
107.01378	1.3
107.05011	0.4
109.02941	3.9
111.00903	0.8
111.04494	1.2
113.02471	1.3
119.03509	0.8
119.05036	4.2
121.02950	1.0
123.00904	2.4
123.04556	1.0
124.01668	1.5
125.02448	83.2
126.02793	1.5
137.02446	11.2
137.06050	0.7
139.04001	3.7
149.02431	0.9
151.00262	0.4
155.03505	0.6
161.02461	6.4
162.03131	0.6
163.04012	3.0
164.01172	2.2
165.01933	5.3
166.02631	0.9
167.03511	4.5
169.01424	100.0
170.01738	3.3
173.04562	4.7
175.03992	1.2
176.04761	0.6
177.01877	0.7
177.05542	1.7
179.03517	4.9
191.05597	1.8
191.07150	0.5
193.01424	3.0
201.05528	0.9
203.03499	0.8
204.04324	0.6
207.10310	1.2
217.04964	0.5
219.06612	3.3
221.04507	1.8
227.03520	0.5
247.02486	0.6
269.04550	1.1
277.06943	0.6
283.11780	0.5
287.05594	1.6
303.05164	0.6
305.06668	28.9
306.06802	2.0
331.04642	1.4
351.13922	0.6
367.10223	0.5
370.06805	1.7
418.43597	0.5
426.73898	0.5
457.07480	7.5
457.12646	0.9
457.17780	0.7
458.08054	0.9
475.31601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58764	0.3
57.03483	0.3
59.01385	3.7
61.98830	100.0
67.91525	0.3
71.01389	1.0
73.02971	0.5
83.01377	0.4
85.02955	1.8
87.00893	0.6
89.13557	0.4
93.03448	1.8
97.98224	0.3
99.04556	0.7
104.74670	0.3
113.02437	0.8
114.33289	0.4
119.05045	3.7
125.02450	0.5
137.02435	0.6
140.45607	0.3
143.03481	0.6
147.80602	0.4
161.04561	1.1
162.04889	0.4
163.03987	1.9
167.29393	0.3
173.04591	1.5
179.00140	0.4
191.02057	0.4
191.05655	0.9
209.11861	0.5
283.15601	0.8
285.04150	1.0
310.08929	0.7
331.82242	0.4
421.11371	0.8
439.15115	0.3
456.20020	0.6
457.13663	2.0
457.20786	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55480	0.4
54.81448	0.4
57.03452	4.5
57.10920	0.3
57.59303	0.5
59.01374	2.8
61.98838	0.7
63.34431	0.3
67.01881	0.5
69.03457	1.0
69.71669	1.6
71.01386	0.9
73.02973	0.7
81.03464	2.7
83.01399	2.8
83.05029	0.6
85.12048	0.4
93.03463	2.8
95.01394	1.4
95.05036	1.8
96.96045	0.5
97.02956	2.3
99.00938	0.5
101.02457	0.5
109.02952	10.1
111.04517	3.1
113.02449	0.7
116.92901	0.5
118.15305	0.4
119.05032	14.5
120.05344	0.7
121.02962	3.9
123.00898	3.6
123.04545	1.2
124.01676	2.7
125.02446	59.1
126.02783	1.7
131.05077	0.7
133.06567	0.6
135.04507	1.2
137.02438	22.5
137.05968	0.4
138.03175	0.7
139.04004	13.4
140.04459	0.4
147.04491	0.4
149.02499	0.4
149.06070	1.2
151.04015	1.9
159.04530	1.0
161.02448	1.4
161.05997	0.5
163.04007	6.7
163.07674	0.8
164.01141	5.3
165.01924	15.8
166.02608	1.3
167.03488	15.2
168.03847	0.5
169.01411	1.6
173.04538	1.7
173.05937	0.4
175.04027	2.0
175.07579	0.7
176.04741	0.5
177.01886	1.7
177.05592	2.6
178.02696	0.7
179.03505	12.9
181.05086	0.9
189.05621	0.7
191.03551	0.8
191.07135	1.8
193.01367	0.5
201.05559	1.2
203.03413	2.5
204.04253	2.7
215.07129	0.8
218.05881	0.8
219.06625	11.4
221.04570	5.2
233.08185	0.8
237.07722	0.7
243.06552	1.2
247.02425	0.6
261.07623	3.4
263.05484	0.5
270.08386	0.7
287.05511	0.7
305.06656	100.0
306.06995	6.4
314.35806	0.4
319.04678	2.3
331.04440	0.5
343.10324	1.1
390.10095	0.4
400.28384	0.5
457.07703	10.0
457.13498	5.7
458.08008	0.7
458.13901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00283	0.2
57.03442	0.5
59.01381	16.9
61.98833	1.6
67.05140	0.2
69.30467	1.6
71.01387	0.8
73.02942	0.9
78.50954	0.2
85.02937	0.5
87.00864	0.2
89.02446	0.8
101.02438	0.8
111.00892	0.4
111.04503	0.2
111.51536	0.2
112.19340	0.2
113.02451	0.4
119.04949	0.2
120.58172	0.2
125.02460	0.5
127.75650	0.2
129.01932	0.2
132.83403	0.2
135.97850	0.2
152.99545	0.2
161.04536	0.3
189.09233	0.3
191.05646	0.4
203.03477	4.6
204.04265	10.3
205.04739	0.7
218.05818	0.6
221.37569	0.2
231.80394	0.2
233.08180	100.0
234.06252	0.4
234.08513	5.6
255.10175	0.3
275.09378	0.4
281.13974	0.7
281.17517	0.2
395.13464	0.7
395.20602	0.3
446.66232	0.2
455.22565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77080	8.1
59.01387	77.8
61.98837	100.0
65.20412	8.7
71.01349	7.0
89.94130	9.3
98.19890	26.0
124.67982	9.6
139.03999	15.6
192.33083	8.1
201.64549	8.7
209.07996	17.3
219.93457	8.8
229.18158	8.3
385.12970	27.7
390.20218	13.7
453.21942	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	455.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74793	0.4
58.45823	0.5
59.01377	3.0
68.99570	3.7
69.03468	0.8
71.01382	7.5
71.51414	0.5
73.02940	4.0
75.00890	0.8
85.02976	1.2
87.00877	2.8
89.02444	31.4
90.02766	0.6
93.03432	1.0
95.31598	0.5
96.00666	0.5
101.02448	1.4
103.04012	2.9
112.98578	7.2
113.02442	1.6
119.05013	0.5
125.02452	1.6
131.03499	7.9
137.02458	0.9
147.02989	0.5
149.04555	100.0
150.04912	1.6
157.01376	0.7
166.06944	0.5
167.03584	0.5
177.02188	0.5
179.05612	0.6
191.05602	1.4
248.37524	0.5
249.72104	0.5
285.06274	0.5
305.06726	1.7
341.10944	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	453.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49828	11.5
59.01365	31.4
61.98827	26.0
64.92100	10.8
69.36628	100.0
72.04888	11.2
98.19949	28.9
141.55165	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	453.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	100.0
61.98819	70.5
66.35664	33.1
71.22688	60.0
81.70090	30.6
91.53046	31.3
111.39114	36.4
116.87193	33.3
124.29315	37.5
146.50945	33.4
193.78801	29.3
406.51453	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	72.3
61.98824	87.1
71.52875	17.6
100.32460	21.4
141.71266	18.1
173.23343	19.7
453.16473	62.4
453.22623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2261
Annotation	Arisugacin E
Peak:m/z	Relative Intensity
56.93129	2.0
57.13657	1.9
59.01381	25.3
59.79870	1.9
61.98833	18.5
69.03459	7.0
69.37804	11.0
69.38211	5.3
71.01398	5.7
73.02966	3.4
79.06884	2.1
83.01405	3.0
85.02976	5.1
89.02466	2.7
97.02969	2.8
101.02461	5.3
113.02427	3.2
118.65689	2.1
125.02448	46.7
125.03326	3.5
161.04591	2.5
167.03514	3.6
202.36108	2.3
353.62332	2.3
365.18240	5.7
393.25098	2.5
453.22849	100.0
454.23013	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	453.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
55.85522	0.4
57.03461	0.4
59.01379	100.0
60.01727	1.1
61.55425	0.4
61.92101	0.3
61.98810	0.5
69.65513	2.4
71.01383	11.1
72.99320	1.2
73.02934	2.2
79.95749	1.2
80.99258	0.4
83.01398	1.6
85.02954	6.9
86.86501	0.4
87.00885	1.9
89.02454	6.6
93.03477	0.6
95.01385	0.9
96.96010	48.6
98.95605	2.7
98.96478	0.6
99.00903	1.1
99.92612	0.6
101.02438	8.1
113.02457	4.7
115.92097	1.3
118.96648	0.6
119.03531	2.3
119.05020	3.5
123.04549	0.4
125.02457	1.0
129.02000	1.0
131.03506	0.5
133.57457	0.4
137.02429	0.5
143.03510	1.0
147.03004	3.2
149.04602	0.4
159.03024	0.9
161.04547	11.1
162.04893	0.5
163.04028	0.9
173.04614	0.4
179.05554	0.9
180.31752	0.4
182.99832	0.8
189.84489	0.4
191.02039	1.4
191.05609	0.8
209.03017	1.9
216.96031	0.6
218.99832	1.0
221.01396	0.6
226.98763	0.6
244.95551	0.6
261.00861	1.0
261.03656	0.4
274.98798	0.4
279.97980	0.4
287.02362	0.8
288.98846	0.7
332.19745	0.4
355.06866	0.9
375.00433	0.9
391.01508	1.2
393.01593	1.5
393.17618	9.7
394.18338	1.0
453.20233	0.7
454.03030	0.5
469.44888	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62817	0.3
59.01381	3.5
61.98830	100.0
69.28915	3.0
71.01387	1.1
89.02466	0.5
101.02431	0.5
103.38321	0.5
113.02457	1.4
165.12852	7.6
166.13226	0.5
173.04552	0.7
183.13899	19.8
184.14227	0.9
197.15445	0.4
207.13878	0.7
227.12875	43.1
228.13310	1.7
251.13052	1.0
269.13934	0.5
269.65616	0.4
305.07126	0.4
389.18185	8.6
390.18781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2781
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.30878	0.2
61.98829	0.5
62.96378	0.3
65.23275	0.2
71.00191	0.5
78.95906	17.9
90.49720	0.2
96.97039	0.2
121.30415	0.3
122.00118	0.8
140.01195	4.8
152.99593	1.5
196.03799	9.5
197.04138	0.3
206.57295	0.2
214.04869	1.8
219.53206	0.2
226.13658	0.2
237.22180	0.2
255.23289	100.0
256.23639	6.6
452.27811	32.0
453.28085	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16692	0.8
59.01373	5.2
60.47291	0.9
60.50059	0.8
66.85519	0.7
70.89341	1.6
70.89655	1.0
71.01392	1.6
83.01376	1.2
85.02958	2.4
87.00875	2.3
89.02460	1.2
91.05530	42.8
93.03461	1.4
96.96017	4.2
97.02914	1.5
98.95593	3.9
99.92583	2.4
109.02947	3.8
115.92079	4.7
119.97404	0.9
120.99578	1.3
123.00871	1.0
123.04533	2.1
125.02448	3.6
135.04492	6.8
137.02451	2.0
145.38721	0.8
149.02440	0.9
151.03958	1.1
163.04010	100.0
164.01160	1.1
164.04305	3.0
165.01907	1.6
169.01372	1.4
173.04692	1.5
187.04030	1.0
191.05540	1.3
203.07123	1.9
205.05107	1.2
216.95969	3.8
221.08008	1.0
244.95396	1.8
245.08366	2.1
289.07153	17.5
304.97610	0.9
373.00195	1.2
391.01193	7.6
392.01553	1.0
453.15503	2.0
453.23578	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78631	0.4
54.52547	0.4
57.03427	0.4
59.01383	10.0
59.01683	0.5
60.78456	0.3
61.98831	100.0
63.99258	2.2
71.01374	2.6
73.02950	0.8
85.02948	2.0
89.02455	1.4
93.03474	0.6
94.98140	0.4
96.96021	0.8
101.02467	2.1
113.02486	0.9
119.03563	0.6
119.05049	1.2
120.05386	1.2
125.02420	0.9
130.36092	0.4
133.50792	0.4
137.02518	0.4
159.02972	0.4
161.04663	0.5
163.03995	3.1
164.04384	1.5
169.01425	1.0
173.04552	0.9
204.29659	0.4
241.97209	0.4
253.06644	0.4
389.18161	27.4
390.18491	2.4
453.23734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57526	0.3
57.03445	1.0
59.01380	100.0
60.01711	0.9
61.98833	3.4
65.03965	0.4
69.33540	2.1
69.33944	0.5
71.01386	6.4
71.04999	0.4
72.99300	0.4
73.02934	1.8
83.01395	1.1
85.02951	2.8
87.00911	0.6
89.02447	5.6
89.02943	0.5
93.03448	1.9
96.45660	0.3
96.96090	0.3
98.20741	0.6
99.00867	0.8
101.02434	5.2
109.02966	0.4
111.04537	1.2
113.02454	3.7
119.03580	2.6
119.05022	10.1
123.04516	0.5
125.02470	1.4
129.01964	0.5
131.03441	0.4
134.60849	0.3
137.02441	3.2
139.04021	6.4
139.25281	0.3
143.03566	0.7
149.04587	0.5
155.03558	0.6
159.03004	0.9
161.04555	4.9
163.04010	24.5
164.04372	1.1
167.03534	1.1
169.05055	6.7
173.04607	1.3
173.06055	0.4
179.05658	0.9
182.57893	0.4
191.05615	1.7
229.18146	1.3
281.06644	2.2
289.07227	0.5
299.15237	0.3
331.10522	0.4
331.17392	0.5
337.09207	3.8
349.18915	0.8
391.23477	13.0
392.23849	1.1
451.12808	2.7
451.25592	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2104
Annotation	Lespeflorin G3
Peak:m/z	Relative Intensity
50.25928	2.0
59.01382	35.7
59.20458	1.9
61.98829	45.6
71.01377	4.9
71.53814	3.8
78.29834	2.8
89.02441	3.9
93.03462	4.1
96.95983	2.7
101.02455	3.0
110.24449	1.9
113.02437	3.2
125.02440	6.1
128.14754	2.4
135.04471	2.5
151.00395	3.7
168.00685	2.4
173.04506	5.8
174.04945	3.8
185.94939	2.3
197.02252	14.8
198.58997	2.1
237.43822	2.3
241.05052	3.5
242.05745	2.3
243.06554	2.4
253.18068	81.6
254.18440	5.0
391.23337	8.6
405.11783	3.9
451.21060	100.0
452.21558	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84912	0.4
59.01379	2.7
61.98829	2.4
65.03976	0.6
65.32478	0.4
71.01381	1.2
71.51511	0.6
73.02960	0.6
79.95742	2.7
81.03463	0.7
82.15736	0.4
83.01369	0.5
85.02964	1.1
87.00890	0.8
89.02461	0.8
93.03471	0.8
95.05029	0.5
96.96008	100.0
97.02947	0.6
99.00882	0.8
101.02457	0.9
109.02960	2.1
111.00895	0.5
111.04515	1.0
113.02486	0.7
117.96235	0.4
119.03483	0.5
119.04993	0.5
121.02955	0.8
123.04532	1.8
124.76504	0.5
125.02477	2.3
127.00326	0.7
131.03522	0.5
135.04521	2.8
137.02464	2.7
139.04091	0.5
145.01468	1.4
149.02414	0.7
151.04027	1.1
155.03490	0.7
161.02519	0.8
165.01944	0.7
167.03572	0.6
173.04549	3.4
179.03523	3.4
179.05783	0.8
187.04242	0.5
191.05580	3.2
203.07114	2.0
205.05058	0.7
226.17787	0.5
234.99310	1.0
245.08197	1.8
248.97054	0.5
251.40936	0.5
271.06091	0.5
275.02289	0.9
283.53418	0.6
289.02481	0.7
289.03632	0.5
289.07144	8.0
303.05722	0.6
331.08276	0.8
353.08673	3.6
396.18961	0.5
451.05496	2.1
451.12155	1.5
451.17487	16.9
452.17899	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	451.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60394	0.6
57.03426	1.5
59.01380	28.6
60.01696	0.9
61.28609	0.6
61.98830	47.2
63.99210	0.8
65.03960	1.5
69.03450	0.9
70.80505	1.6
71.01382	8.7
73.02949	2.1
81.03478	0.8
83.01382	0.9
83.05059	0.8
83.62045	0.6
85.02943	4.0
87.00881	1.5
89.02446	6.3
92.03191	0.6
92.24138	0.6
93.03457	5.3
95.01411	0.8
99.00898	1.1
101.02448	6.7
109.02953	2.6
111.04497	3.8
113.02457	5.7
119.03506	3.1
119.05022	44.3
120.05380	1.3
121.02937	0.9
123.04501	6.6
124.01649	1.0
124.04839	1.3
125.02439	5.1
129.01930	0.8
131.03461	1.2
135.00883	1.0
135.04535	1.6
137.02448	5.8
149.02449	0.8
149.99509	1.1
155.03439	3.3
161.02351	0.9
161.04552	1.7
163.04005	100.0
164.04352	3.1
165.01909	1.0
167.03488	7.5
168.00650	2.0
169.01418	7.2
173.04546	6.0
179.03497	1.3
179.05603	2.3
191.05612	8.9
207.10268	4.1
229.14383	1.2
229.49820	0.7
271.06168	1.4
289.07156	4.3
289.20160	1.8
299.08008	0.9
300.86807	0.7
319.12817	0.8
319.21069	1.0
337.09253	19.5
337.15378	1.3
338.09558	1.3
369.15585	0.8
369.94360	0.9
390.22137	1.0
391.23254	6.1
413.05005	0.7
451.08679	2.2
451.12814	1.8
451.26166	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	451.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20467	0.7
59.01389	3.9
61.98842	0.8
70.00339	0.7
70.34530	0.9
71.01393	1.7
71.53085	1.0
71.53519	1.0
73.02948	0.9
80.71317	0.9
81.03485	0.8
85.02978	1.4
87.69068	0.8
89.02393	1.1
93.03474	3.7
99.00874	1.3
101.02483	0.9
111.04536	1.7
113.02458	3.4
119.05031	41.8
120.05358	1.4
123.04513	2.7
125.02454	1.4
127.03934	0.9
137.02470	1.1
149.04584	1.3
153.76367	0.7
155.03494	2.6
163.04012	100.0
164.04355	3.9
164.87465	0.8
167.03581	0.7
173.04552	6.2
187.09744	0.9
188.00470	0.9
191.05608	8.3
200.20845	0.8
209.04297	0.9
337.09274	20.0
338.09668	1.7
415.16171	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	451.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.1
59.01376	5.6
61.98826	5.9
66.09914	0.5
68.99817	0.6
69.03458	1.3
71.01385	1.8
71.53285	1.1
79.95735	2.0
80.02665	0.6
81.03452	3.7
83.01386	4.6
83.10789	0.6
85.02946	1.2
87.00871	0.8
87.88973	0.5
88.98793	0.6
89.02457	2.2
93.03462	2.8
93.37563	0.6
95.01377	1.0
95.05039	3.5
96.96010	100.0
97.02951	9.2
97.95998	0.5
99.04513	1.0
101.02447	1.8
107.05093	0.6
107.59852	0.6
108.02174	1.2
109.02950	26.9
110.03292	0.8
111.00882	4.2
111.04529	1.2
113.02453	1.3
121.02970	5.4
122.03749	2.7
123.00910	0.9
123.04524	19.7
124.04821	0.6
125.02440	18.8
133.02936	1.5
135.04517	4.1
137.02441	30.8
138.03195	1.0
139.04024	4.6
143.04991	0.8
145.02959	1.2
146.03712	1.5
147.04564	1.0
149.02431	7.0
150.03264	1.2
151.03996	14.0
155.03552	0.7
155.16183	0.6
159.04488	2.9
160.05254	2.2
161.02463	2.9
161.06053	6.4
162.03230	2.5
163.03957	2.5
164.01128	3.9
165.01923	10.1
166.02472	0.8
167.03502	2.5
173.04547	2.5
173.06044	1.2
174.03236	0.9
175.03978	4.1
175.07652	2.2
177.05540	1.2
179.03479	10.7
179.05019	1.0
180.03957	0.7
185.06100	1.1
187.04004	5.6
188.04793	5.1
189.34592	0.5
191.03745	0.5
191.05659	1.7
199.07657	1.2
201.05463	1.4
202.06306	3.0
203.03578	0.7
203.07126	19.4
204.07436	0.9
205.05049	13.2
209.04480	0.6
209.99809	0.6
210.08432	0.7
212.04910	0.6
217.08783	1.1
221.08156	6.2
227.07037	2.9
229.04800	0.6
230.05753	1.9
243.06488	0.6
245.08165	34.8
246.08580	1.7
247.06075	2.6
267.64694	0.6
271.06116	2.9
289.07166	97.8
290.07471	7.0
294.18539	0.6
313.09280	1.1
319.13895	1.2
353.08640	2.0
405.20953	0.8
407.13449	0.8
451.12430	63.9
452.12836	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	451.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.9
61.98836	2.2
67.01891	0.5
69.03458	1.1
69.35304	2.5
71.01384	1.5
81.03454	0.7
81.75820	0.3
83.05021	1.5
85.02948	2.8
86.70298	0.3
87.00876	1.0
87.04514	15.0
89.02434	0.5
93.02934	0.7
93.03460	5.9
97.64616	0.4
101.02437	0.6
109.02948	0.4
111.04526	4.7
113.02452	4.9
117.03459	0.8
119.05029	39.9
120.05367	1.6
125.02469	0.4
127.04021	1.1
129.01990	0.4
131.03503	25.2
132.03821	0.7
135.04584	0.4
137.02438	2.0
145.02951	4.7
149.04585	0.4
149.35976	0.5
155.03500	5.9
163.04008	100.0
164.04346	4.1
173.04541	14.1
174.04852	0.5
189.02014	0.4
191.05608	25.2
192.05969	0.9
217.01482	0.8
257.13055	0.5
287.07880	0.4
308.49036	0.4
311.05750	0.4
319.08252	3.5
337.09280	25.2
338.09512	1.8
357.06140	1.1
391.23410	0.7
399.20093	0.5
451.11902	0.8
455.37805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.0
59.01385	2.3
61.98824	0.8
69.03442	0.5
69.57598	2.5
71.01366	0.7
75.00884	0.8
75.51486	0.4
79.95717	0.8
81.03455	2.6
83.01389	3.1
85.02943	0.9
87.00883	1.0
89.02424	0.9
89.86843	0.4
93.03460	1.9
95.05038	2.6
96.96008	28.9
97.02944	5.2
98.19933	0.8
99.04539	0.4
107.04996	0.6
108.02185	0.9
109.02946	21.3
113.02421	0.5
113.06097	0.7
119.03531	0.5
121.02962	3.0
122.03682	0.8
123.00856	0.4
123.04525	14.5
123.51385	0.4
124.04874	0.5
125.02441	15.7
135.04544	2.3
137.02440	14.3
138.03125	0.8
139.04013	3.9
145.02937	0.7
146.03743	1.1
149.02452	3.6
150.03165	0.8
151.04001	9.1
157.06580	0.6
159.04503	2.2
160.05281	1.3
161.02431	1.4
161.06081	5.4
162.03175	1.6
163.04073	0.9
164.01137	3.1
165.01901	4.3
166.02733	0.5
167.03453	2.3
173.04567	0.8
173.06056	1.0
175.03969	2.1
175.07648	2.7
177.05574	0.5
179.03496	6.1
184.67262	0.4
185.06087	1.2
187.04010	5.2
188.04825	3.7
191.01971	0.4
199.07500	0.5
201.05597	0.5
202.06361	1.9
203.07121	13.6
205.05046	8.5
206.05351	0.4
212.04732	0.6
217.04906	0.5
217.08690	0.8
221.08141	2.7
227.07170	2.4
229.05121	0.4
230.05734	0.6
231.02992	0.6
238.70811	0.4
245.08177	17.6
245.10706	0.9
246.08496	1.0
247.06082	1.3
271.06100	1.0
289.07159	100.0
290.07486	6.4
451.06555	0.3
451.12427	9.1
452.13013	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93534	0.8
57.03444	0.9
59.01381	19.8
61.61275	0.9
61.98834	11.3
63.30458	0.8
67.01892	3.5
69.03455	1.7
69.70511	2.7
71.01385	5.3
72.01662	0.9
73.02924	1.0
81.03445	1.1
83.05032	2.2
85.02955	2.9
87.00880	1.6
87.04519	8.4
93.03463	23.9
101.02435	1.8
109.02953	2.7
111.04530	6.6
113.02491	4.8
117.03513	1.0
119.05025	42.3
120.05379	1.6
123.04495	1.0
125.02488	1.6
127.04061	1.1
129.63434	1.0
131.03511	21.4
137.02486	5.1
139.04012	1.1
145.02962	4.7
149.04680	1.1
155.03506	9.1
161.04532	1.2
163.04004	100.0
164.04347	5.0
173.04546	87.4
174.04832	2.8
184.78702	0.9
189.01929	1.9
191.05603	23.7
217.01430	4.0
227.21024	0.9
257.13007	1.5
289.07013	1.5
303.61789	1.5
311.05450	1.4
314.70303	1.1
315.75580	0.9
319.08099	2.2
337.09271	36.3
338.09506	4.1
357.05939	4.3
391.23370	5.1
444.19226	1.0
451.10532	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	451.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70724	1.5
57.03450	3.3
59.01164	1.1
59.01382	12.7
61.98831	12.7
65.67566	1.1
67.01897	3.7
69.20166	11.5
71.01384	7.0
81.03452	3.3
83.01402	2.1
85.02936	2.4
89.02449	1.7
93.03461	24.5
95.01363	1.6
99.80588	1.2
100.07970	1.4
101.02459	2.2
109.02953	29.8
111.04523	13.7
113.02483	2.0
113.70159	1.2
117.03484	3.1
119.05022	15.1
119.62609	1.3
121.02968	1.5
123.00903	2.5
123.04525	6.3
124.01672	2.2
125.02454	37.1
126.02761	1.5
133.02934	4.6
137.02472	7.0
137.06049	1.3
139.04002	18.7
145.02991	8.2
147.04482	2.7
149.02461	2.7
149.04543	2.4
150.02876	1.1
151.00343	1.3
151.04079	1.5
155.03517	5.1
159.04446	1.4
161.02481	4.1
161.06090	1.4
163.04015	22.5
163.11343	2.2
164.04340	2.1
165.01878	1.7
167.03510	16.8
173.04555	94.6
174.04935	3.7
175.03871	2.0
176.01140	1.8
177.01935	41.7
177.60646	1.3
179.03465	5.4
187.03999	1.7
189.01924	60.4
190.02592	4.9
191.03455	5.5
191.05524	2.9
193.06104	1.2
203.03537	4.4
207.10255	24.4
208.10605	2.5
216.00630	8.6
217.01414	76.2
218.01840	3.7
219.03018	6.3
227.07056	1.5
229.05023	5.2
229.08669	1.3
231.03043	9.7
231.10367	1.9
233.04521	4.8
241.05038	4.7
243.06660	1.8
249.11128	1.6
255.06529	2.1
268.03809	1.4
269.04459	6.6
270.05048	1.3
271.06128	7.8
283.06210	10.3
287.05624	4.3
289.07260	3.0
297.04044	1.6
305.06525	8.5
311.05597	45.7
312.05872	2.5
313.07217	2.1
325.07202	3.9
337.09302	17.9
339.05090	1.3
341.06705	6.8
341.10168	1.6
357.06158	100.0
358.06613	7.7
369.15445	1.7
395.73367	1.2
433.09335	1.6
438.39297	1.3
451.10358	58.9
452.10590	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	451.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04890	0.5
51.65925	0.6
59.01377	1.9
61.98826	0.9
66.90917	0.5
69.03448	0.7
70.81387	1.2
71.01384	0.9
75.47669	0.5
81.03458	0.6
83.05032	0.7
85.02950	0.9
89.02451	0.7
93.03471	2.2
111.04548	1.8
113.02441	3.6
113.45938	0.5
114.13276	0.6
119.05025	42.5
120.05363	2.1
123.04518	2.1
125.02446	0.8
127.03992	0.8
149.04558	0.6
155.03552	2.7
163.04005	100.0
164.04381	3.2
173.04547	5.5
178.75000	0.6
191.05598	6.7
207.10127	1.3
253.75130	0.5
300.75421	0.7
302.06323	0.6
337.09283	16.4
338.09674	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	451.1244
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.75200	0.6
52.75806	0.6
57.03447	1.9
59.01381	6.8
60.33592	0.5
61.98822	1.0
65.03948	0.6
65.47251	0.6
70.01878	1.0
70.02255	1.0
71.01354	1.3
73.40263	0.6
79.95757	1.7
81.03448	2.2
83.01389	2.0
85.02958	1.7
89.02473	1.2
91.17945	0.5
93.03472	1.9
95.05036	2.2
96.96012	86.4
97.02930	3.0
99.00870	0.7
101.02438	1.0
107.05055	0.7
109.02956	17.5
110.03291	0.6
113.02447	0.9
119.05048	0.8
121.02988	3.0
122.03717	0.9
123.04529	11.4
125.02444	12.9
135.04498	3.1
137.02440	24.9
137.63124	0.7
138.02765	0.7
139.03973	2.3
146.03716	1.1
149.02422	4.9
150.03171	0.8
151.04024	9.2
159.04495	2.4
160.05302	1.2
161.02444	8.9
161.04654	0.9
161.06042	3.8
162.03185	1.1
163.03954	2.1
164.01132	2.8
165.01941	7.2
167.03471	2.1
173.04529	1.7
173.06012	0.9
173.14082	0.7
175.03949	1.8
175.07600	0.9
176.08215	0.7
179.03485	5.6
185.06100	0.7
187.03996	4.8
188.04852	3.8
189.01935	2.8
191.03578	0.9
191.05602	1.6
199.69029	0.7
202.06313	1.5
203.07132	10.9
205.05087	6.5
212.04933	0.8
221.08154	2.2
226.06354	1.0
227.07127	2.3
237.85027	0.6
245.08180	18.1
246.08597	1.1
247.06142	0.8
252.00691	0.6
271.06107	2.7
289.07166	100.0
290.07474	6.5
304.97260	0.7
313.07251	1.7
353.08691	2.3
369.62909	0.6
451.05701	1.0
451.12347	10.4
452.12762	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	451.1033
Annotation	Epigallocatechin 3-O-p-coumarate
Peak:m/z	Relative Intensity
51.10230	1.0
59.01376	24.4
60.01726	1.6
60.99321	1.2
61.98830	24.5
67.01885	3.8
69.03450	1.7
71.01382	7.4
71.53588	1.5
73.02959	1.1
81.03458	3.3
83.01395	2.6
83.05016	1.2
85.02962	2.8
85.07868	1.1
89.02422	3.5
93.03458	32.3
95.01428	1.6
97.02978	1.0
99.00823	1.4
101.02447	2.0
109.02943	24.0
111.04523	11.5
113.02480	2.0
117.03431	3.1
119.05038	15.1
121.02999	1.7
123.00869	2.1
123.04535	4.2
124.01680	2.1
125.02448	34.1
125.47057	1.1
133.02980	3.3
135.04459	1.3
137.02444	7.8
139.04012	17.2
145.02977	6.4
147.04544	3.0
149.02480	1.9
149.04491	1.5
155.03497	4.1
161.02458	3.1
161.04555	2.4
163.04004	19.9
165.01900	1.4
166.02745	1.7
167.03508	11.3
173.04544	100.0
174.04897	4.3
176.01230	1.8
177.01915	33.3
177.85722	1.2
178.02338	2.1
179.03494	3.1
187.04124	1.7
189.01926	46.0
190.02594	4.7
191.03499	3.6
191.05603	2.9
203.03476	3.5
207.10234	9.8
211.99973	1.2
216.00624	6.7
217.01399	64.8
218.01852	3.4
219.02930	5.0
227.07156	1.1
229.05046	4.3
231.02956	9.9
231.10188	1.4
233.04596	3.5
241.05005	4.3
264.78717	1.3
268.03696	1.8
269.04465	7.5
271.06082	7.6
280.03708	1.2
283.06027	9.9
287.05734	4.7
289.07315	1.5
305.06635	5.1
311.05600	41.6
312.05835	2.8
313.07056	1.7
325.07175	2.1
337.09259	18.4
338.09622	1.7
339.05121	1.4
341.06607	5.0
357.06146	88.9
358.06427	7.0
360.21014	2.0
361.21188	1.4
451.10349	47.7
452.10663	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	451.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03446	0.8
59.01381	15.3
61.98830	23.1
63.99269	0.6
67.01883	0.8
69.03445	1.4
70.64799	1.0
70.65176	1.0
71.01382	4.9
73.02927	2.4
79.01899	0.6
81.03478	0.8
83.01387	2.2
85.02952	4.6
89.02458	1.6
93.03459	35.8
94.03777	1.2
95.01387	1.8
97.02961	1.3
99.00887	1.0
101.02428	4.2
107.01363	1.4
108.02140	0.8
109.02965	1.5
109.56579	0.5
111.04503	0.5
113.02462	2.7
119.05041	1.1
121.02940	0.6
123.00888	6.9
123.04543	0.6
124.01662	14.9
125.02448	36.2
126.02753	0.7
133.02916	0.6
135.04501	0.6
136.01634	0.7
136.47153	0.5
137.02443	54.2
138.02776	1.8
139.03941	0.5
147.04582	0.7
149.02428	2.0
149.99585	30.8
151.00279	2.2
155.03535	0.7
157.02402	3.9
161.02658	0.5
161.04553	2.1
163.03975	1.5
167.03467	2.2
168.00638	63.5
169.01405	7.8
173.04518	2.9
174.05011	0.8
175.05054	0.9
179.03476	0.6
190.02670	1.1
191.03415	0.9
191.05540	1.0
211.02148	0.6
214.08144	0.6
215.03531	0.5
216.04300	1.0
227.03458	4.8
228.10291	0.9
229.04898	0.6
229.10559	1.3
233.08249	0.6
244.07503	0.7
245.08221	5.8
251.09247	0.7
265.12854	0.5
275.09421	0.6
277.10019	0.5
277.16495	2.6
287.07602	0.7
289.07275	0.7
313.05652	15.4
331.06680	32.0
332.06946	1.5
345.60202	0.6
351.20044	0.9
354.47647	0.5
407.13498	0.8
409.20920	3.4
413.14426	1.7
433.07642	0.6
451.08804	100.0
451.15439	5.9
451.21219	7.4
452.09149	10.1
452.15396	0.9
452.22028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16338	0.2
59.01369	1.2
69.27224	2.2
71.01377	0.3
79.09534	0.2
79.95744	1.8
83.01359	0.3
85.02948	0.4
87.39247	0.2
89.08721	0.2
93.03490	0.5
96.96013	100.0
97.02984	0.4
97.95927	0.2
101.02453	0.3
109.02953	1.2
113.02404	0.2
118.76576	0.2
119.34515	0.2
121.03020	0.4
123.04514	1.1
125.02454	1.2
134.03726	0.2
135.04521	2.3
137.02438	2.3
149.02518	0.5
150.57031	0.2
151.04008	0.9
155.03471	0.3
157.69011	0.2
159.04526	0.4
161.02466	0.8
161.06049	0.3
165.01945	0.7
173.04597	0.8
179.03528	2.3
185.49863	0.3
187.03990	0.4
191.05603	3.3
203.07153	0.6
205.05090	0.7
213.58714	0.3
216.98160	0.5
221.08058	0.4
234.99257	0.5
241.08505	0.5
245.08086	1.3
248.97157	0.6
289.07181	8.6
290.07590	0.6
347.00699	0.3
353.08792	3.4
354.08859	0.4
358.88583	0.3
451.05627	1.1
451.11301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56618	0.4
55.14832	0.4
57.03431	0.6
59.01377	11.0
60.43638	0.4
61.98829	28.2
63.99249	0.7
67.01886	0.6
69.03464	1.4
69.29308	3.8
69.88413	0.4
71.01374	4.3
72.73954	0.4
73.02934	1.5
79.01878	0.5
79.95663	0.5
81.03464	1.1
82.95406	1.5
83.01392	1.4
83.05013	0.4
85.02956	1.7
87.00871	1.0
89.02446	2.5
91.64276	0.4
93.03456	8.3
95.01397	1.4
96.95993	3.3
97.02962	1.4
101.02463	3.0
111.04491	0.7
113.02416	2.2
119.03547	0.6
119.05030	5.0
123.00890	2.1
123.04482	0.5
124.01677	4.4
125.02444	73.0
126.02782	2.9
127.02921	0.7
137.02435	12.3
139.00400	0.8
143.03484	0.8
145.01393	0.7
151.00415	1.2
153.01956	0.5
155.03474	0.5
161.04485	0.9
163.04007	13.6
164.04330	0.8
166.99849	0.5
167.03470	0.9
168.00626	8.0
169.01416	100.0
170.01756	2.8
173.04543	1.4
175.18774	0.4
179.05591	0.6
191.05595	1.0
197.04668	0.6
259.06052	0.8
260.06448	1.0
261.06583	1.5
269.04385	0.9
270.04807	0.8
271.05167	1.5
273.00284	1.8
281.06610	1.8
289.06076	1.0
313.05603	1.3
331.06689	22.2
332.06891	1.2
337.09286	1.9
389.18161	4.4
391.19684	1.9
407.09570	1.3
426.66385	0.5
451.08704	56.2
452.09113	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	450.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.6
61.98830	100.0
62.98534	0.2
69.51936	1.0
71.01375	0.8
85.02988	0.4
87.00893	0.2
89.02448	0.5
93.03432	0.3
101.02478	0.4
113.02460	0.4
119.03543	0.2
119.05042	0.8
125.02501	0.4
137.02431	0.3
139.04016	0.4
160.04021	0.3
161.04626	0.2
163.04010	1.5
169.05132	0.5
173.04530	0.4
191.05753	0.2
334.35004	0.2
337.09302	0.5
390.21567	0.3
390.80215	0.2
391.23187	0.2
396.57159	0.1
451.12921	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01377	5.0
60.01670	0.2
61.56316	0.2
61.98827	0.5
62.48576	0.2
65.49039	0.2
68.97569	0.2
71.01380	1.2
71.52773	0.4
73.02937	0.3
73.54481	0.2
75.00864	0.3
79.95737	2.2
82.86737	0.2
83.01365	0.2
85.02940	0.6
87.00864	0.5
89.02438	0.8
93.03471	1.0
96.96011	100.0
97.95962	0.4
99.00903	0.5
101.02436	0.8
109.02896	0.3
111.04546	0.3
113.02457	0.4
114.82295	0.2
119.03541	0.3
125.02444	0.3
127.07616	0.2
133.02950	0.2
135.04526	2.2
137.02454	0.4
149.04596	0.4
155.03546	0.3
163.04021	0.4
169.35829	0.2
169.37318	0.2
173.04533	3.3
179.03470	1.7
191.05591	1.5
199.00548	0.2
245.08208	0.2
249.98322	0.2
289.07166	0.4
305.12503	0.2
319.14050	0.5
353.08746	2.6
389.01978	0.4
391.19922	0.2
405.21716	0.3
451.12033	0.2
451.22357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.4
59.01381	24.4
59.07290	0.8
61.98829	100.0
65.03974	2.1
71.01379	7.5
73.02988	1.2
75.00888	0.9
81.03445	1.5
83.01405	1.5
85.02943	2.4
89.02438	6.8
93.03445	3.0
96.43981	0.9
98.19858	2.1
101.02434	5.8
102.84189	0.9
109.02977	1.6
111.04546	4.1
113.02459	3.5
119.03510	2.8
119.05019	3.4
125.02441	7.2
126.02779	1.8
137.02457	3.6
148.70209	0.9
151.00325	2.5
152.00806	0.9
155.03493	3.1
161.04601	0.8
163.04016	4.5
163.11261	10.8
167.03519	1.3
169.01442	3.6
173.05933	1.1
174.06451	1.3
178.99823	1.9
180.00293	2.1
187.13417	0.8
216.07458	1.6
229.31993	0.8
238.97697	0.9
259.06149	7.2
260.06433	12.8
271.10986	0.9
283.06137	1.0
284.06604	0.9
287.05713	4.2
288.05923	8.4
302.07309	1.4
319.13925	2.3
331.17636	1.3
337.09515	1.5
374.99295	1.0
387.16595	51.3
388.16867	5.4
391.19559	1.2
422.11810	2.5
434.03674	0.9
450.10733	2.2
450.20538	1.0
451.17010	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	450.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
59.01382	44.6
60.01727	3.5
61.98831	100.0
63.99256	2.0
69.03458	0.4
71.01385	5.3
71.53102	0.5
72.01711	0.4
72.99313	0.7
73.02964	1.2
83.01398	0.6
85.02955	1.7
87.00880	0.7
88.80217	0.4
89.02447	4.9
93.03473	1.2
96.96023	1.4
101.02456	4.6
109.02969	1.0
111.00935	0.4
111.04540	0.8
111.08184	1.7
113.02470	3.2
119.03577	2.0
119.05019	4.8
121.02955	0.5
123.04533	0.4
125.02447	3.8
131.03537	0.4
137.02490	1.2
149.02487	0.4
149.04539	0.5
155.03510	0.6
155.07155	1.0
161.04594	1.6
163.04007	10.1
163.11327	1.8
167.03445	0.6
169.01454	4.2
173.04562	1.3
191.05507	0.9
205.14435	0.7
207.10225	2.2
259.06189	0.5
260.06464	0.9
269.04355	0.4
270.04987	0.5
288.05939	1.1
289.07190	1.0
309.96167	0.4
331.06644	1.1
337.09412	1.7
346.25726	0.4
387.16608	27.6
388.17117	1.6
390.22171	1.3
391.19965	0.5
450.11029	1.1
451.08841	2.1
451.17761	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	449.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	3.3
59.01381	84.1
61.98534	2.1
61.98832	25.6
68.59573	1.4
71.01382	52.0
71.08523	2.0
72.99306	5.1
82.16366	1.3
83.01386	1.5
83.40338	1.3
85.02962	8.4
87.00850	2.5
89.02444	63.2
93.03445	3.2
95.01415	3.5
101.02453	26.7
113.02455	19.6
119.03506	29.4
125.02483	2.3
125.04124	1.6
131.03503	3.0
143.03519	4.4
149.04463	1.9
161.04550	6.6
173.04576	10.0
179.05647	14.3
211.72385	1.5
221.19197	1.6
223.20657	11.6
240.21799	1.6
269.21216	100.0
270.21561	6.5
275.09210	2.1
336.86011	1.4
439.24057	1.6
449.22070	2.5
449.27548	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	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.8
58.00597	2.0
59.01380	100.0
61.98836	10.8
67.01892	2.4
69.03492	1.7
71.01382	25.8
71.53508	1.3
72.99319	2.1
73.02945	4.1
75.00881	0.8
81.03465	1.2
83.01415	2.2
83.05045	1.2
84.39508	0.9
85.02956	12.1
87.00894	3.3
89.02448	22.5
93.03458	14.6
94.03822	0.9
95.01416	2.2
99.00864	1.1
99.04550	1.6
101.02449	17.7
109.02988	0.9
111.00896	0.9
111.04542	2.9
113.02450	9.4
114.02744	0.8
119.03525	8.8
119.05037	1.9
120.30881	0.7
121.02979	3.0
125.02476	2.1
127.04099	1.4
129.02002	1.0
134.03777	0.8
137.02452	3.9
140.63123	0.7
143.03537	2.6
149.04639	1.2
150.58752	0.9
155.03448	4.3
155.10829	0.9
159.03133	0.7
159.04539	1.7
159.79126	0.8
161.04565	12.7
163.04099	1.7
172.05377	1.9
173.04555	49.5
173.05835	2.3
174.04930	1.3
174.06873	0.9
179.05647	5.5
185.06023	1.2
187.04092	1.4
187.07626	15.2
188.08052	1.1
191.02042	0.9
191.05612	28.5
194.87637	0.8
200.04913	0.9
201.05640	1.7
202.06355	5.9
203.10805	1.5
207.13911	1.7
208.38673	0.9
209.11920	3.1
213.09213	7.4
215.07097	4.1
225.15042	2.2
227.07118	8.2
227.12849	4.0
227.16658	2.3
229.08734	2.9
231.06651	2.0
231.10271	17.5
231.12465	1.3
232.10706	1.0
257.08258	5.3
269.13931	12.0
269.16455	1.0
275.09253	21.4
275.12000	1.1
275.18839	0.9
287.05829	0.8
287.09750	1.1
287.15005	9.7
389.21820	49.1
390.22083	4.0
449.14709	4.4
449.20581	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	449.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03441	1.5
58.00583	1.4
59.01378	100.0
61.98800	1.3
69.28407	6.7
71.01382	27.4
72.99306	2.2
73.02952	3.9
83.01393	2.5
85.02947	10.0
87.00868	3.0
89.02447	28.1
92.87620	0.8
93.03444	1.5
95.01401	2.0
99.00880	2.3
101.02440	23.1
101.06119	0.7
105.94503	0.9
111.00842	1.4
111.04483	1.4
113.02449	13.3
114.12196	0.8
115.86693	0.8
119.03510	13.3
123.04533	6.3
125.02443	1.0
131.03502	0.8
137.02396	1.3
141.09128	1.0
143.03506	3.2
149.04527	2.1
155.03459	1.7
161.04521	12.4
173.04581	7.4
179.05608	6.9
187.07584	1.0
191.05557	1.7
207.10234	3.6
227.16534	5.5
231.10071	1.2
275.09109	1.4
276.81592	0.9
389.21777	90.9
390.22116	7.8
449.16110	0.9
449.24231	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1496
Annotation	Suvorexant
Peak:m/z	Relative Intensity
57.46244	0.7
59.01383	6.5
61.98840	4.4
62.96412	23.3
70.09558	3.2
78.95906	56.3
80.97469	30.0
87.36165	0.9
87.67688	0.8
98.19991	1.4
101.21844	0.8
146.57111	0.9
149.00081	13.5
173.04529	2.3
179.01123	1.0
205.15985	7.7
232.82777	0.9
242.98294	5.7
268.84210	1.0
285.12546	1.6
355.16791	18.8
385.17871	24.6
386.18167	1.4
449.14990	100.0
450.15326	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	449.231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51992	0.3
59.01377	0.8
61.98828	1.0
71.09348	0.4
71.09676	0.4
78.95905	49.4
89.02428	0.3
96.96970	6.0
143.34885	0.3
150.98055	1.8
152.99585	100.0
153.99939	1.3
171.00635	3.8
206.50447	0.3
221.27864	0.3
295.22772	0.9
313.65909	0.3
449.23071	16.3
450.23651	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	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
59.01380	100.0
60.01713	1.0
61.98831	24.4
62.98561	0.3
70.87214	0.7
71.01379	5.2
73.02956	1.1
75.00863	0.4
79.05419	0.4
81.03426	0.3
83.01398	0.6
85.02955	2.7
87.00871	0.5
89.02450	2.4
95.01405	0.5
96.96025	0.6
99.00898	0.8
101.02442	3.4
109.02949	0.4
111.00929	0.3
113.02438	3.4
119.03521	1.2
119.05032	0.4
121.02945	0.4
125.02443	1.7
127.07654	0.3
135.00914	0.5
137.02486	0.5
143.03569	0.3
149.02472	0.5
151.04037	0.4
153.01935	0.3
159.03001	0.6
161.04572	4.0
171.06781	0.4
173.04668	0.5
173.06094	0.3
179.05647	0.5
187.07637	0.4
191.05684	0.4
207.10316	0.3
209.15335	0.3
231.10278	0.4
255.06670	0.3
259.06076	1.4
269.04691	1.1
275.09250	1.5
287.05740	1.5
287.08847	0.3
287.52026	0.3
291.51450	0.3
387.16562	4.8
389.21851	4.9
390.22253	0.6
392.60263	0.3
401.16336	0.3
449.11053	0.9
449.24155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35571	0.7
57.03450	1.3
59.01380	4.3
62.69182	0.7
63.65073	0.7
67.01901	4.1
69.03456	1.8
71.01370	4.2
71.26157	0.7
73.02950	0.6
73.28300	0.6
81.03438	1.3
83.01331	0.6
83.05013	1.7
85.02951	7.7
87.00903	3.7
89.02499	0.8
93.03460	28.0
94.03751	1.0
96.25581	0.6
99.00896	1.0
102.10001	0.8
109.02962	2.2
111.00884	1.4
111.04501	5.2
113.02439	3.1
114.02792	0.9
119.05033	1.9
127.04044	1.4
135.04472	0.9
137.02457	5.6
149.06062	1.5
151.00342	1.5
152.00694	0.7
155.03516	6.5
158.03719	2.2
159.04529	3.4
171.04536	0.7
172.05296	10.7
173.04556	77.5
173.05983	5.1
174.04901	2.9
174.06668	0.7
175.07617	0.9
183.04524	1.3
184.05304	1.1
187.04166	4.1
187.07643	100.0
188.07973	5.0
191.05612	43.9
191.07413	1.6
192.05991	1.1
198.06900	1.0
199.03917	0.9
200.04782	1.7
201.05586	7.6
202.06349	16.1
203.06831	1.2
203.10709	0.9
204.04312	2.1
211.07651	0.9
213.09195	13.0
215.07100	7.0
216.07826	0.8
227.03444	0.9
228.04494	1.1
229.08685	2.8
231.06613	40.5
231.10257	47.1
232.06970	1.8
232.10582	2.5
257.08179	13.0
271.05582	0.7
273.06653	2.2
275.09256	70.7
276.09561	3.9
286.57416	0.8
405.11935	1.5
416.33243	0.7
449.14474	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64759	1.0
55.70869	1.1
59.01381	20.8
61.98831	5.8
64.08987	1.0
65.00330	2.1
67.01894	1.6
69.03458	2.4
69.62896	5.1
71.01373	6.2
79.17816	0.9
81.03397	1.3
83.01366	1.4
83.05039	1.8
83.31264	1.1
85.02948	15.0
87.00864	9.4
89.02435	2.3
92.51858	1.2
93.03461	13.6
101.02451	2.6
104.48537	1.1
107.01391	3.2
109.02978	2.4
111.04527	5.3
113.02470	1.7
119.05001	1.6
121.02964	2.8
125.02421	1.7
127.04031	2.1
135.04529	12.8
137.02443	2.3
149.06039	1.6
151.00359	16.5
155.03473	4.9
155.10808	1.8
158.03656	1.3
159.04543	5.5
163.03969	1.8
165.52678	1.1
172.05267	6.9
173.04533	35.5
173.06047	8.5
174.04836	1.8
174.06871	2.0
175.07605	1.3
179.05582	1.4
183.04572	1.3
184.05316	1.6
187.04076	6.3
187.07643	59.2
188.08144	3.9
191.05618	100.0
191.81570	1.1
192.05933	3.1
199.04153	1.4
200.04755	3.7
201.05582	9.5
201.09280	1.5
202.06363	23.7
203.06721	1.7
203.10794	4.1
209.11925	2.2
213.09203	17.7
215.07124	17.4
216.07751	3.7
227.03386	1.6
229.08649	10.2
231.06796	7.1
231.10240	44.5
232.10512	3.6
257.08191	16.0
263.93250	1.1
269.13907	6.7
275.09247	68.6
276.09589	5.9
284.03384	1.7
285.04007	2.7
286.04111	4.5
287.05646	20.7
288.05756	1.7
343.46072	1.1
389.21832	3.0
449.09750	4.4
449.15149	14.3
449.20297	3.9
457.20706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.1
59.01383	6.3
67.01893	4.1
69.03458	2.4
69.22894	6.3
71.01367	4.0
73.02954	0.8
81.03461	1.3
83.05000	1.1
85.02953	7.9
87.00885	3.6
92.84527	0.8
93.02871	1.3
93.03461	26.4
109.02964	1.5
111.00910	0.9
111.04509	6.2
113.02454	1.6
118.92522	0.8
121.02971	1.5
125.02430	1.1
127.03999	2.2
127.11848	0.7
133.02953	0.9
135.04497	1.1
137.02454	6.0
154.86563	0.8
155.03505	6.5
158.03745	2.4
159.04530	3.0
163.04005	1.1
172.01472	0.8
172.05290	11.2
173.04555	79.2
173.05998	6.6
174.04936	2.7
183.04492	1.5
187.04146	3.9
187.07640	100.0
188.07964	5.5
191.05614	42.6
192.05907	1.5
200.04886	2.3
201.05582	6.8
201.09245	1.2
202.06335	17.7
203.06755	1.3
203.10802	2.9
204.04257	3.1
207.10249	6.5
213.09174	11.4
215.07071	7.3
216.07805	0.8
227.03537	1.3
229.08704	5.0
231.04291	1.3
231.06662	26.1
231.10222	45.7
232.07011	1.3
232.10573	2.1
243.10083	1.2
257.08209	11.1
258.08563	0.9
275.09244	70.2
276.09512	4.3
317.16003	0.9
405.11932	1.3
449.14581	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42862	0.9
57.03447	8.4
59.01381	32.1
61.98528	1.4
61.98825	15.4
65.00319	2.1
65.22886	0.9
67.01888	1.5
69.03452	1.3
70.20418	3.5
71.01384	7.2
73.02928	2.9
75.00864	1.2
81.03443	3.3
83.01371	6.8
85.02953	7.9
87.00873	2.7
89.02432	10.0
93.03455	20.8
94.03822	0.9
95.81654	0.9
99.00880	2.8
101.02402	4.3
105.03416	1.5
107.01388	5.6
109.02959	1.4
111.04520	2.5
113.02437	5.5
117.03461	71.8
118.03801	2.1
119.03541	2.2
119.05021	45.8
120.05337	1.6
121.02946	10.5
123.04511	7.1
125.02446	100.0
126.02780	1.7
135.04532	2.1
136.07626	1.2
137.02411	2.7
143.03490	1.3
145.02997	0.9
149.01288	1.8
149.02441	35.6
149.04329	1.4
149.99591	0.9
151.00363	11.3
152.93784	1.0
155.03473	2.6
155.10806	2.0
159.04491	1.5
161.02440	21.8
161.04535	3.8
163.03989	2.4
167.02173	1.5
167.03490	20.2
169.01447	1.5
172.05226	1.3
173.04550	33.0
173.06007	3.2
179.03496	0.8
179.05559	1.8
187.03932	1.2
187.07635	9.6
191.05615	29.6
192.00667	1.3
193.01414	48.1
194.01732	2.0
197.06166	1.3
199.09715	1.3
200.04791	1.3
201.05597	2.5
202.06345	5.0
203.10696	1.2
209.11731	1.6
210.06810	0.9
213.09273	5.2
215.07101	6.2
227.12914	1.5
229.08661	1.2
231.06665	1.2
231.10268	14.0
235.02484	2.9
257.08105	2.5
269.04544	42.5
269.14029	5.2
270.04791	2.4
275.09250	14.1
276.09512	1.4
281.10098	1.9
285.04022	1.2
286.04138	1.5
287.05435	10.2
311.07556	1.2
313.05643	4.1
355.06534	3.5
389.21710	6.8
392.17398	0.9
413.14478	28.7
414.15036	2.1
449.09656	5.2
449.15561	1.7
449.20062	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	449.1088
Annotation	2-[hydroperoxy-(4-glucosyl-hydroxyphenyl)methyl]-6-hydroxy-1-benzofuran-3-one
Peak:m/z	Relative Intensity
57.03450	8.0
59.01380	44.4
61.98828	14.0
62.98579	0.8
63.02410	0.8
63.41448	0.8
65.00315	2.1
67.01891	2.4
69.03449	1.0
69.26298	1.9
69.26704	5.0
69.93587	0.8
71.01384	13.9
73.02943	1.9
75.38006	0.8
79.63977	0.7
81.03469	2.2
82.21166	0.8
83.01392	6.6
83.05022	0.9
85.02956	7.8
85.32765	0.8
87.00883	2.8
89.02453	8.3
93.03465	20.1
97.02956	1.2
98.20611	1.6
99.00873	1.7
99.04523	0.9
101.02451	6.2
105.03458	1.4
107.01360	3.9
111.00884	0.9
111.04535	2.9
113.02441	5.2
117.03464	68.5
118.03790	2.8
119.03513	4.4
119.05029	46.6
120.05346	1.5
121.02970	11.1
123.04536	5.6
125.02448	100.0
126.02786	2.2
127.03983	1.0
130.09575	0.8
133.02917	1.0
135.04593	1.0
137.02458	3.3
138.69688	1.0
139.04008	1.4
143.03485	0.9
149.02437	32.5
149.04395	1.4
150.02858	1.6
151.00371	13.4
151.03949	0.9
155.03503	3.2
155.10760	2.9
159.04498	2.5
161.02438	21.7
161.04478	4.6
161.05785	0.9
163.03996	3.6
167.03481	21.0
169.01425	1.3
172.05302	1.4
173.04558	35.0
173.06029	2.3
174.06799	1.3
179.05606	3.1
187.04012	1.3
187.07637	11.5
191.03767	1.5
191.05621	31.4
192.00671	1.2
193.01411	52.1
194.01762	2.0
199.09714	1.0
201.05586	2.2
202.06352	4.0
203.10814	1.1
207.13873	1.0
209.11804	2.5
209.15335	0.8
213.09216	7.0
215.07159	6.0
225.05582	1.5
227.03455	1.0
229.08727	1.5
231.10294	16.6
235.02515	2.0
242.48624	0.9
249.90469	0.8
251.13060	0.9
253.43332	0.9
257.08154	2.9
265.03384	1.0
269.04550	38.6
269.13849	8.8
270.04904	2.7
275.09253	15.7
276.09567	1.2
281.10251	2.1
282.27866	1.0
285.03979	1.6
286.04355	1.3
287.05444	10.3
313.05606	4.4
317.11951	0.9
355.06677	2.8
389.21805	9.4
413.14511	27.4
414.15100	1.8
424.40594	1.0
449.09418	4.1
449.14841	2.9
449.19232	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	449.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10071	0.4
57.03462	0.8
59.01381	3.9
61.98817	2.0
63.02404	2.1
65.00326	10.0
66.00650	0.3
67.01894	0.8
69.03470	0.7
69.67667	1.3
69.68070	0.9
71.01399	1.6
73.02968	0.5
75.00861	0.4
81.03488	0.5
83.01387	5.6
83.01833	0.5
85.02969	1.7
87.00896	0.7
88.46525	0.3
89.02454	0.7
93.03459	4.8
101.02447	0.8
105.03455	0.4
107.01392	17.1
107.04964	0.4
109.02970	2.5
111.04550	1.2
113.02459	0.7
117.03470	0.5
118.27860	0.4
118.40726	0.3
119.05008	0.6
123.04536	0.4
124.07663	1.0
125.02460	8.1
129.01912	0.5
133.02974	2.6
134.03743	2.9
135.04527	75.0
136.04842	2.6
137.02464	1.6
149.02432	1.2
151.00368	100.0
152.00693	3.4
153.01981	0.4
155.03477	1.0
159.04529	0.7
160.53168	0.3
161.02428	3.3
161.04518	0.5
163.04048	0.9
164.01163	0.5
165.01898	0.7
167.03580	0.4
169.01408	1.6
173.04541	15.1
174.03174	0.7
174.04745	0.6
177.02019	1.7
178.02730	0.5
185.00862	0.7
187.03984	0.4
187.07613	2.0
191.05605	5.7
193.01361	0.4
201.05504	0.5
202.06339	0.7
203.10809	0.5
213.09244	2.3
213.40207	0.3
215.07159	1.3
227.03497	0.4
231.10226	6.4
243.02975	0.5
244.03381	0.4
245.03416	0.4
257.08249	2.0
269.04608	0.9
271.02396	1.0
272.02744	0.6
273.03015	1.3
275.09268	6.3
276.09573	0.4
285.03885	0.8
287.05612	71.4
287.14087	1.5
288.05927	4.7
294.11014	0.4
297.09863	0.8
300.02896	0.8
301.02939	1.0
302.03427	1.6
313.05658	2.5
389.21564	0.8
407.19174	0.4
449.10431	15.6
450.10678	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1093
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
51.10071	0.4
57.03462	0.8
59.01381	3.9
61.98817	2.0
63.02404	2.1
65.00326	10.0
66.00650	0.3
67.01894	0.8
69.03470	0.7
69.67667	1.3
69.68070	0.9
71.01399	1.6
73.02968	0.5
75.00861	0.4
81.03488	0.5
83.01387	5.6
83.01833	0.5
85.02969	1.7
87.00896	0.7
88.46525	0.3
89.02454	0.7
93.03459	4.8
101.02447	0.8
105.03455	0.4
107.01392	17.1
107.04964	0.4
109.02970	2.5
111.04550	1.2
113.02459	0.7
117.03470	0.5
118.27860	0.4
118.40726	0.3
119.05008	0.6
123.04536	0.4
124.07663	1.0
125.02460	8.1
129.01912	0.5
133.02974	2.6
134.03743	2.9
135.04527	75.0
136.04842	2.6
137.02464	1.6
149.02432	1.2
151.00368	100.0
152.00693	3.4
153.01981	0.4
155.03477	1.0
159.04529	0.7
160.53168	0.3
161.02428	3.3
161.04518	0.5
163.04048	0.9
164.01163	0.5
165.01898	0.7
167.03580	0.4
169.01408	1.6
173.04541	15.1
174.03174	0.7
174.04745	0.6
177.02019	1.7
178.02730	0.5
185.00862	0.7
187.03984	0.4
187.07613	2.0
191.05605	5.7
193.01361	0.4
201.05504	0.5
202.06339	0.7
203.10809	0.5
213.09244	2.3
213.40207	0.3
215.07159	1.3
227.03497	0.4
231.10226	6.4
243.02975	0.5
244.03381	0.4
245.03416	0.4
257.08249	2.0
269.04608	0.9
271.02396	1.0
272.02744	0.6
273.03015	1.3
275.09268	6.3
276.09573	0.4
285.03885	0.8
287.05612	71.4
287.14087	1.5
288.05927	4.7
294.11014	0.4
297.09863	0.8
300.02896	0.8
301.02939	1.0
302.03427	1.6
313.05658	2.5
389.21564	0.8
407.19174	0.4
449.10431	15.6
450.10678	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01379	7.7
60.01708	0.3
61.98826	3.0
63.02377	1.8
65.00322	10.9
67.01896	0.8
69.03448	0.5
69.25423	1.7
69.25839	0.9
71.01382	2.4
71.51019	0.3
73.02944	0.3
81.03453	0.6
83.01386	5.8
85.02945	2.3
85.98741	0.3
87.00890	0.6
89.02431	1.9
93.03458	6.1
95.01392	0.4
98.20648	0.7
99.00875	0.8
101.02451	1.6
105.03464	0.5
107.01391	19.8
107.05044	0.4
108.01679	0.4
108.99324	0.4
109.02961	2.5
111.00934	0.5
111.04522	1.2
113.02426	1.4
117.03464	0.5
119.03512	0.8
119.05000	1.9
121.02971	0.4
123.04504	0.7
124.37160	0.3
125.02445	10.4
129.01944	0.7
133.02965	2.4
134.03752	2.1
135.04521	77.1
136.04861	2.6
137.02472	2.3
149.02443	1.3
151.00363	100.0
152.00706	3.0
153.01924	0.5
155.03479	1.4
159.03033	0.5
159.04538	0.8
161.02425	4.6
161.04514	0.7
163.04030	1.9
165.01933	0.6
167.03560	0.3
168.04277	0.6
169.01440	1.9
172.05295	0.5
173.04539	18.0
174.03218	1.6
174.04808	0.6
177.01950	1.4
178.02612	0.4
179.05551	0.4
187.04012	0.8
187.07600	2.2
191.03770	0.4
191.05597	8.9
192.06017	0.4
193.01390	0.8
196.00159	0.4
197.06165	0.6
198.06953	0.3
201.05600	0.4
202.06334	1.2
203.10760	0.4
213.09177	5.5
214.09503	0.3
215.07140	1.9
217.03812	0.3
227.16510	0.6
231.06682	0.5
231.10269	8.8
232.10640	0.5
237.38503	0.3
243.06754	0.4
244.03384	0.3
246.14731	0.3
250.16167	0.3
253.74719	0.3
257.08176	4.5
269.04507	0.9
272.02820	0.8
273.03043	0.7
275.09250	5.2
285.04086	0.8
286.04398	0.6
287.05600	76.2
288.05927	5.5
293.60489	0.4
297.09799	0.3
300.02792	0.3
301.03003	0.5
302.03232	1.0
313.05637	4.1
316.04874	0.6
389.21725	2.6
407.19055	0.4
449.10394	11.8
449.20486	0.6
450.10794	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	449.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.1
59.01378	8.7
61.98832	21.2
65.00328	3.0
67.71873	0.9
71.01377	2.2
73.27859	1.2
77.11351	0.8
81.03455	4.7
83.01384	6.0
85.02940	1.1
89.02421	3.0
93.03449	4.5
94.80221	0.9
95.01381	1.1
97.02957	1.6
98.19874	2.2
100.37871	0.8
101.02448	1.4
107.01404	7.2
109.02979	1.1
113.02408	0.9
121.02920	1.6
123.00872	1.1
123.04488	1.7
124.01649	1.4
125.02448	47.1
127.03426	0.9
131.05035	1.4
133.02968	2.2
137.02466	1.1
139.04001	2.1
149.02446	3.3
151.00365	20.4
152.01157	4.4
153.01913	6.3
157.06570	1.1
158.03654	1.1
161.21095	0.9
163.11287	2.8
165.01866	1.5
167.03473	1.5
172.05318	5.2
173.06079	10.2
175.00362	2.6
175.03998	2.0
177.05507	2.8
178.99843	19.5
181.01430	2.4
199.07628	1.0
200.04820	1.7
201.05548	3.7
215.07100	15.3
241.04999	2.5
243.06607	6.8
259.06104	100.0
260.06375	5.9
269.04547	1.9
273.07578	2.4
283.06113	21.0
287.05609	73.1
288.06009	5.6
301.07178	9.4
313.07202	2.4
343.06860	1.0
351.46994	0.9
361.09601	1.4
387.16589	13.5
421.11383	21.0
422.11636	1.9
435.93820	1.0
437.32370	1.0
449.10944	10.1
449.20441	2.7
450.10834	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	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
59.01380	21.6
60.01713	1.6
60.30247	0.3
61.01805	0.2
61.98830	100.0
65.00361	0.3
68.79066	0.3
69.56770	1.6
71.01396	1.5
81.03430	0.3
83.01402	0.8
85.02957	0.6
89.02451	1.6
93.03474	0.5
99.00935	0.3
101.02442	1.4
102.02834	0.3
105.78085	0.3
107.01393	0.6
107.05011	0.3
109.02930	0.3
113.02483	1.0
119.03517	0.5
121.02930	0.5
123.04484	0.3
123.08247	0.2
125.02447	10.0
135.04507	0.4
137.02438	0.6
139.03947	0.3
144.42429	0.3
149.02478	1.1
151.00378	2.7
152.01170	0.5
153.01956	0.8
161.04521	1.3
162.04857	0.3
165.01952	0.9
167.03528	0.3
173.06068	0.3
174.51076	0.3
178.99861	1.6
179.03519	0.5
179.05614	0.4
191.03665	0.3
201.05591	0.5
208.14261	0.6
208.46065	0.3
213.05515	0.4
214.43463	0.3
215.07164	0.6
225.05551	0.3
227.16588	0.3
231.03096	0.3
241.05139	0.4
243.06572	0.7
259.06097	8.5
269.04544	8.6
275.09274	0.5
287.05634	5.6
311.05551	0.3
385.02209	0.3
388.20483	0.8
389.21692	1.5
448.22955	0.4
449.10883	9.7
449.16974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	8.8
59.01380	52.2
60.01698	3.6
60.68910	0.9
61.01789	3.4
61.98831	100.0
62.98527	1.3
65.00317	2.5
65.57180	0.8
66.63111	0.9
69.03469	1.2
70.70763	2.0
71.01398	5.2
73.02950	1.1
81.03455	5.2
83.01397	6.6
85.02959	2.9
87.00902	1.1
89.02438	5.2
93.03472	4.5
95.05003	2.4
97.02956	2.2
99.04508	5.2
101.02433	4.4
101.66035	1.0
107.01401	5.7
107.05045	2.3
109.02925	2.2
113.02442	3.1
116.92815	1.0
117.03451	5.7
119.03494	1.8
119.05843	0.9
121.02922	2.7
123.00881	1.1
123.04499	3.1
124.01617	1.6
125.02449	85.2
126.02753	2.1
133.02953	3.1
135.04527	4.4
137.02451	2.8
139.03995	2.8
149.02438	7.1
151.00360	21.9
151.04039	1.0
152.01073	3.5
153.01947	5.6
158.03673	1.0
159.04533	1.9
161.02429	0.9
161.04521	2.8
163.00313	1.8
165.01958	6.2
167.03482	34.2
168.03824	1.5
169.06551	1.1
172.05211	1.5
173.04643	2.2
173.06073	3.7
175.03841	1.6
176.01138	1.7
177.05574	2.9
178.99850	10.4
179.03432	4.7
187.07596	2.7
193.01353	2.0
196.34361	1.0
197.04506	7.2
197.06041	1.3
201.05540	3.2
215.07156	4.0
225.05516	2.6
227.07095	1.0
231.10408	1.3
235.02353	1.4
237.60307	1.0
238.12720	0.9
241.05052	3.4
243.06665	4.4
245.51984	0.9
259.06100	58.4
260.06415	3.9
269.04526	55.5
270.04831	2.8
275.09244	3.7
283.06021	1.1
287.05566	46.3
288.05862	2.6
311.05515	1.6
317.15674	1.0
329.06628	7.5
342.05759	1.1
359.07651	2.6
389.21655	3.2
421.11447	1.7
431.09451	1.4
433.21292	1.1
446.50272	1.0
449.10849	60.6
450.11047	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	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
59.01381	32.4
60.01712	2.6
61.01806	0.3
61.98829	100.0
71.01382	2.7
71.29479	0.4
73.02954	0.7
74.90738	0.2
81.03473	0.4
83.01405	1.1
85.02959	0.9
89.02458	1.9
92.45506	0.2
93.03455	0.5
95.01382	0.3
97.02929	0.3
98.18846	0.3
99.00891	0.2
101.02437	2.0
104.16488	0.2
104.30297	0.2
107.01395	0.8
113.02469	1.4
119.03517	0.9
119.05045	0.4
121.02947	0.4
123.04540	0.3
125.02450	9.4
135.04483	0.3
137.02460	0.4
139.03992	0.3
143.03456	0.4
147.66765	0.2
149.02498	0.9
151.00369	2.4
152.01183	0.3
153.01971	0.8
161.04539	1.7
165.01956	1.2
167.03555	0.4
173.06055	0.4
177.05588	0.4
178.72688	0.3
178.99857	1.7
179.03494	0.5
179.05653	0.7
180.05952	0.4
188.08653	0.3
190.13315	0.3
191.15967	0.3
199.03954	0.3
201.05615	0.5
207.13913	0.4
208.14287	0.4
215.07269	0.3
227.16618	0.4
241.05112	0.3
243.06760	0.8
259.06104	8.6
259.08789	0.5
269.04532	7.1
269.07217	0.4
275.09448	0.5
287.05621	5.9
287.08597	0.4
329.06747	0.4
342.05905	0.4
388.20761	1.3
389.21997	2.0
448.23120	0.4
449.10822	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	448.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.2
57.03444	0.5
59.01384	3.4
61.98831	100.0
67.01893	0.5
69.03452	0.2
69.63787	1.0
71.01386	2.4
73.02956	0.8
81.03461	0.3
83.01385	0.2
85.02965	0.8
87.00878	0.4
89.02444	1.2
93.03461	2.7
95.21844	0.2
99.00877	0.9
101.02449	1.7
111.04543	0.5
113.02472	0.8
119.03534	0.3
125.02446	2.4
126.02798	0.3
134.03764	0.6
137.02466	0.7
143.03423	0.2
149.02432	0.2
151.00368	0.6
154.02228	0.2
155.03542	0.5
161.04602	0.7
162.03236	0.7
165.09271	0.5
173.04553	11.6
179.10785	1.4
183.13918	0.4
191.05644	0.5
209.08186	1.7
211.13405	3.8
212.13734	3.4
223.09755	6.2
223.11893	0.4
224.10155	0.4
253.09319	0.4
254.09634	0.3
275.09232	1.3
280.31512	0.2
317.19623	0.9
385.15186	1.1
413.14322	0.3
413.21652	0.2
448.13431	1.7
448.22943	0.5
449.15063	0.4
449.23752	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	448.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57093	0.6
52.53106	0.5
53.12381	0.6
55.01880	0.7
55.42367	0.6
57.03445	2.4
59.01380	21.3
61.98830	77.5
65.00333	1.1
67.01881	1.2
69.03469	1.1
70.90093	0.9
70.90413	0.8
71.01385	6.9
73.02949	1.5
75.00869	1.4
81.03481	0.8
81.69711	0.5
82.10275	0.5
83.01395	1.6
83.05025	0.6
85.02949	4.6
87.00832	1.4
89.02424	2.8
90.98549	0.6
93.03461	9.4
99.00898	0.8
99.04493	0.7
101.02441	4.2
105.03458	1.1
107.01402	2.4
109.02983	0.6
110.00060	0.8
111.00895	0.9
111.04530	2.1
113.02472	2.5
117.03461	0.6
119.03535	1.0
119.05025	6.9
125.02415	3.4
127.04025	0.6
129.01941	0.9
133.02957	8.5
134.03194	2.8
135.03610	0.6
135.04530	2.4
137.02473	3.9
137.97118	0.5
139.00279	0.7
139.04106	0.7
144.75755	0.6
145.02995	1.3
147.02919	0.7
148.05344	0.6
149.02426	1.6
149.04559	0.7
150.02818	0.9
151.00351	5.1
152.00696	2.6
153.01878	0.9
155.03522	1.9
161.02440	1.1
161.04587	3.4
163.04012	6.4
164.04320	0.7
165.01900	0.7
165.99033	0.7
166.99806	0.9
167.03484	0.9
169.01385	0.9
172.05273	1.1
173.04559	22.1
173.05992	1.3
175.03960	2.5
176.04301	2.2
177.01933	1.5
178.02693	1.1
179.03525	1.1
179.05605	0.7
186.06334	0.6
187.04012	0.7
187.07666	1.7
191.05612	14.9
193.01395	0.8
197.06012	0.5
199.03947	1.2
200.04443	1.8
202.02267	0.8
202.06316	0.7
203.10756	2.3
213.09241	4.7
214.06143	0.6
215.07158	0.8
217.05005	0.9
218.05319	1.2
219.70401	0.6
227.03401	0.9
229.08601	1.1
231.10286	6.9
241.04922	0.9
242.05441	0.5
243.02859	0.5
244.03259	0.7
255.02928	0.9
256.03494	2.0
257.04153	3.3
257.08179	5.3
269.04572	1.2
270.04907	0.8
271.02423	1.3
271.05099	0.6
272.02817	0.8
272.05508	0.9
274.46536	0.6
275.09253	12.2
284.03214	1.9
285.04013	47.2
286.04379	100.0
287.04776	6.5
293.10291	3.0
301.03091	1.7
302.03717	1.4
303.03760	0.9
304.04462	1.4
315.04398	0.6
319.14212	0.7
367.11841	1.0
389.21835	4.7
423.16696	1.4
430.08374	0.8
448.09586	38.4
449.09546	6.1
449.15027	2.2
449.27698	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	448.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
59.01378	17.8
61.98829	100.0
64.59477	0.6
65.00329	0.7
69.34129	3.3
69.34548	1.3
70.64320	0.5
71.01377	5.2
73.02934	0.9
83.01385	1.4
85.02971	3.1
87.00866	0.6
89.02444	2.4
93.03452	4.5
95.01411	0.6
98.20670	1.0
101.02451	3.2
107.01382	2.3
110.00089	1.1
111.04477	0.6
113.02446	2.4
119.03506	1.3
119.05019	3.2
125.02446	1.5
132.62376	0.5
133.02943	7.4
134.03209	3.2
135.04544	1.4
137.02414	2.4
148.05290	0.7
148.68456	0.6
149.02441	1.9
150.27313	0.5
151.00354	4.5
152.00726	2.3
155.03494	1.2
161.04544	3.3
163.03970	3.0
165.01935	1.1
166.99850	0.7
167.03510	0.9
168.04147	0.5
173.04538	11.7
175.03990	2.1
176.04353	1.6
177.01959	1.0
178.02554	0.7
179.03471	0.8
179.05579	0.6
187.07652	0.9
191.05606	7.0
193.01292	0.7
199.04062	1.2
200.04385	1.2
201.02051	0.7
202.02298	0.8
203.10765	1.5
213.09135	1.4
217.05022	0.8
217.08684	1.0
218.05316	0.7
227.03473	0.6
229.08670	0.8
231.10204	4.0
241.05025	0.7
242.05353	0.6
243.02856	0.6
244.03236	0.8
251.41742	0.6
255.02966	0.7
256.03537	1.6
257.04068	1.9
257.08194	2.1
258.04745	0.6
269.04349	1.0
270.46567	0.6
272.02847	1.5
275.09183	5.9
284.03256	1.9
285.04001	40.3
286.04379	86.1
287.04788	6.5
293.10217	1.3
300.02664	1.2
301.03091	1.5
367.11832	1.0
385.12939	0.8
389.21848	4.9
430.08737	0.9
437.75677	0.6
448.09598	29.9
449.10123	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	447.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
62.01957	0.3
78.95500	0.4
78.95907	5.8
98.20764	0.6
109.11832	0.3
110.98541	3.9
152.99579	0.3
167.01147	2.8
185.02182	4.0
200.01479	0.3
208.97629	1.8
217.75212	0.3
225.00769	2.5
230.58250	0.3
261.22238	0.5
279.23285	100.0
280.23642	8.5
316.84976	0.3
447.25198	10.5
447.30615	0.5
448.25510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.0
61.98830	100.0
70.41601	0.9
71.01382	1.7
73.02968	0.5
83.01382	0.4
85.02969	0.8
85.29812	0.3
87.00928	0.3
89.02455	1.2
89.40701	0.3
93.03457	1.0
97.02960	0.3
101.02462	0.9
107.01382	0.6
113.02428	0.4
115.04040	0.4
119.03490	0.6
119.05044	0.5
121.02944	0.4
125.02394	1.2
133.02927	1.8
134.03287	0.7
135.04549	1.2
137.02454	1.6
147.18633	0.3
149.02437	0.4
151.00381	2.0
152.00746	0.4
163.03999	0.6
164.01183	0.5
165.01978	0.4
167.03513	0.9
173.04556	3.6
173.05949	0.4
175.03926	0.5
175.07648	0.5
176.04442	0.3
185.11789	0.3
187.07646	0.6
191.04099	0.4
191.05597	2.1
213.09253	0.3
215.07120	0.5
217.08667	0.7
227.07173	0.5
229.08713	0.5
231.10242	1.5
257.08142	0.5
272.05515	0.3
275.09256	1.8
285.04025	8.2
285.07162	0.5
286.04373	18.8
287.05084	1.2
299.12683	0.3
301.03378	0.5
323.13089	0.4
359.20721	3.4
367.11697	1.7
385.12976	1.1
448.09509	1.2
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	Sachaloside I
Peak:m/z	Relative Intensity
55.01875	6.1
57.03456	4.6
58.00591	1.6
59.01380	45.8
61.98829	9.8
65.00317	0.7
67.01893	0.8
69.03451	2.2
69.38236	3.9
71.01380	80.6
72.01704	1.2
72.99313	2.8
73.02945	30.7
73.26971	0.5
74.03286	0.4
75.00870	3.9
76.56355	0.5
80.14560	0.5
81.03458	0.7
83.01387	9.9
83.66772	0.5
84.02164	0.7
85.02948	36.2
86.03275	0.7
87.00874	4.5
89.02445	26.1
93.03445	1.1
94.23452	0.5
95.01386	6.1
97.02937	3.8
99.00882	18.1
99.04540	0.5
101.02441	48.2
102.02749	0.6
107.01395	1.2
109.02885	0.7
111.00870	0.9
113.02450	31.3
114.02772	1.5
115.04011	1.7
119.03514	4.5
119.05024	0.6
125.02438	8.2
127.15912	0.4
129.01945	1.4
131.03506	4.5
132.63039	0.5
137.02440	0.8
143.03510	4.0
149.04561	4.8
151.00356	2.6
151.04005	1.0
153.01875	1.0
159.02995	6.8
161.04550	43.6
162.04884	1.2
163.05048	0.5
173.04613	1.2
177.01830	0.5
178.99826	0.8
179.05684	0.6
181.01448	1.0
183.13919	1.5
191.05646	2.8
193.12297	0.8
205.03581	1.2
211.13390	19.7
212.13808	0.7
233.06665	2.6
253.09286	2.4
269.04584	0.8
271.05109	1.8
285.04025	2.5
285.07663	4.0
293.08740	2.0
315.18118	33.4
316.18423	2.1
331.17505	0.6
332.17987	0.8
333.18365	1.7
345.18942	0.7
383.03525	0.5
410.34073	0.5
447.12491	4.5
447.22293	100.0
448.22739	8.8
467.84454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.3
59.01380	100.0
59.14114	0.9
61.98827	1.5
70.03919	3.5
70.04306	1.9
71.01388	20.0
73.02946	4.5
83.01391	1.6
85.02962	6.7
89.02452	8.1
95.01408	1.9
98.71080	1.0
99.00832	2.3
101.02457	10.9
113.02464	6.6
119.03506	3.3
125.71458	1.0
138.06863	5.5
143.03500	1.3
144.49507	0.9
151.32861	1.2
153.09204	20.0
153.10362	1.9
159.02983	2.4
161.04549	17.6
179.05569	2.9
194.64102	1.1
207.13840	2.7
225.14940	37.4
226.15279	2.5
327.05118	1.7
387.20236	25.0
387.24957	1.8
388.20602	1.3
436.57916	1.0
447.08429	1.3
474.49680	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.8
57.03453	5.3
58.00606	1.4
59.01380	46.6
61.98832	8.5
69.03491	0.7
69.56547	0.8
71.01382	58.4
72.01711	1.0
72.99310	1.8
73.02947	21.2
75.00867	2.4
81.03472	1.1
83.01385	10.0
85.02953	26.5
87.00891	3.7
89.02448	23.8
95.01395	4.6
97.02953	4.0
99.00885	16.3
101.02441	34.5
109.02978	0.9
111.00885	4.3
113.02451	24.8
119.03514	6.9
120.48651	0.7
125.02446	8.3
127.11279	3.3
129.01924	1.3
131.03490	2.4
137.02437	1.1
143.03490	2.8
149.04553	1.9
151.00356	3.0
153.01906	1.0
155.15358	0.9
159.02995	5.4
161.04559	27.2
161.05893	1.3
165.01935	1.0
169.12265	3.8
178.99858	2.4
179.05595	2.6
179.07008	0.9
181.08693	1.0
183.13885	2.4
183.32834	0.7
191.05576	2.6
193.12335	1.0
196.93343	0.7
205.03468	0.9
211.13394	35.0
212.13763	2.1
219.72887	0.7
223.09589	1.0
235.94333	0.7
253.09254	4.1
259.72229	0.7
264.40887	0.7
267.15894	0.8
269.04688	1.4
270.04712	0.7
271.05072	2.1
284.03568	1.0
285.04111	4.3
306.08994	0.9
315.18130	21.7
316.18365	1.7
447.13626	6.6
447.22318	100.0
448.22668	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42327	0.3
57.03456	0.4
58.00608	0.4
59.01380	100.0
60.01717	0.6
61.98840	0.5
69.74325	0.7
69.74713	2.0
71.01384	9.9
72.99320	0.7
73.29301	0.3
81.80458	0.3
82.33630	0.4
85.02972	1.0
86.72447	0.3
87.00887	0.8
89.02447	15.3
90.74783	0.4
93.57630	0.3
95.01357	0.4
95.75603	0.4
96.96014	1.1
96.97026	0.5
99.32738	0.3
101.02432	4.0
110.97586	0.4
113.02453	3.6
116.92887	1.3
119.03507	6.2
125.02465	1.1
131.03519	0.9
135.07004	0.4
143.03494	1.9
149.04549	0.9
157.01408	0.6
161.04572	2.8
179.05605	13.9
184.33289	0.4
197.25154	0.3
327.05157	0.4
333.07047	0.6
360.80658	0.4
387.20392	0.5
447.10092	1.3
447.22620	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39493	0.4
56.34672	0.4
59.01379	100.0
60.01704	0.7
61.98834	2.1
66.20433	0.4
71.01382	6.1
71.28671	0.5
73.02947	0.5
78.89628	0.4
83.30748	0.4
85.02956	1.1
85.89552	0.5
85.90118	0.4
89.02444	8.5
89.22198	0.5
98.96378	0.5
101.02441	4.0
110.62122	0.4
113.02459	3.3
119.03533	4.7
125.02486	1.5
126.02891	0.5
131.03590	0.6
141.80066	0.4
143.03554	0.8
149.04611	0.7
149.99713	0.4
161.04579	3.8
168.00693	0.5
179.05602	3.4
189.12862	1.7
197.51193	0.5
207.13876	0.8
211.05968	0.5
283.28259	0.4
321.26996	0.6
333.07288	0.8
387.20251	5.7
441.25192	0.5
447.10193	2.3
447.22653	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
56.60136	0.3
57.03453	1.1
59.01382	100.0
60.01713	0.7
61.27786	0.3
61.98835	1.1
62.12887	0.3
62.23129	0.3
69.11710	0.3
70.82687	0.4
70.83028	0.6
71.01383	9.6
72.99323	0.5
73.02965	2.7
81.03465	0.4
83.01419	1.0
85.02954	4.0
87.00863	0.5
88.98802	0.9
89.02447	5.7
95.01405	0.4
99.00893	0.9
101.02445	7.0
112.96709	0.3
113.02457	4.2
119.03520	1.8
125.02451	0.4
131.03511	0.3
131.51880	0.3
143.03537	0.7
149.04623	0.4
159.03040	1.3
161.04572	8.1
162.09526	0.3
173.04572	0.3
179.05676	1.2
207.13928	0.6
209.27341	0.3
267.12534	0.5
285.04059	0.7
314.35025	0.3
387.20255	16.8
388.20557	1.7
439.29053	0.3
447.22888	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
61.98832	4.1
78.95904	54.1
84.90714	0.3
86.03396	0.3
90.31636	0.3
96.44970	0.3
96.96969	5.6
98.19879	0.7
115.27396	0.3
118.48005	0.3
127.72916	0.3
150.97992	1.7
152.99585	100.0
153.99948	0.9
162.42340	0.3
167.73389	0.3
171.00632	4.2
211.13316	1.6
211.45769	0.3
229.11444	0.4
269.04639	0.5
271.02463	0.4
271.05090	0.6
284.03076	0.4
285.04105	1.3
293.21225	0.7
349.20276	0.5
437.59851	0.3
447.09674	0.9
447.21521	15.7
447.30856	0.6
448.21964	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.8
56.44838	1.2
57.03449	100.0
57.06909	1.2
58.00598	1.5
58.03759	1.5
59.01381	49.2
61.98812	4.6
69.03468	3.2
69.38762	10.4
71.01384	37.8
73.02945	13.4
75.00866	1.9
83.01387	15.3
85.02956	17.4
87.00880	3.5
89.02451	22.5
93.03456	2.2
95.01373	3.0
99.00873	4.8
101.02446	39.2
103.00369	2.4
109.02925	1.6
111.00868	1.8
113.01721	2.3
113.02454	35.1
114.02806	1.5
119.03516	8.4
125.02405	3.9
127.00368	15.4
129.01949	53.3
131.03468	2.1
143.03481	1.9
145.01447	11.1
149.04572	3.2
151.04007	3.4
153.01819	1.5
159.02940	2.2
161.04564	12.5
163.02493	19.7
165.12846	5.0
173.04512	2.1
179.05608	4.2
183.13896	62.4
184.14229	3.6
191.05609	3.7
195.48056	1.3
209.11711	2.6
211.13380	44.4
212.13689	3.1
216.19591	1.5
219.05078	6.5
219.76605	1.2
225.05681	1.6
225.14978	1.4
226.05960	1.6
227.12860	7.8
242.09042	1.5
243.09180	2.7
249.11075	3.2
253.09296	6.4
256.36148	1.2
269.04410	2.3
270.04889	2.1
271.05048	2.1
285.04181	9.0
285.12720	1.7
301.03760	2.0
301.16568	59.2
302.16803	3.7
315.18137	9.4
333.19180	18.4
447.09207	4.2
447.17371	6.5
447.23145	36.1
448.22742	3.7
466.98975	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
64.72800	0.6
70.44588	0.6
70.92130	1.4
71.01382	6.4
73.02942	2.7
75.00875	0.8
85.02951	2.1
86.19850	0.7
87.00873	0.9
89.02419	3.1
95.01382	1.2
99.00867	2.8
101.02450	2.5
105.01934	7.7
108.02171	45.9
108.13711	0.7
109.02968	14.5
113.02463	2.3
118.98052	1.7
143.03326	0.7
149.04565	5.0
150.24504	0.7
151.03998	2.0
152.01149	90.2
153.01787	3.0
161.04546	2.4
163.03979	3.1
181.00549	0.8
207.02940	0.7
242.01407	0.7
271.08347	1.2
288.29343	0.7
289.60803	0.6
315.07260	1.9
400.98373	0.7
447.11426	100.0
448.11874	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	447.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.6
69.40086	3.7
71.01384	6.8
73.02950	2.2
74.11134	0.6
85.02968	3.0
89.02442	1.3
95.01386	0.9
99.00907	2.9
101.02434	2.8
108.02176	50.6
109.02969	16.1
113.02457	1.8
123.00877	0.6
135.04570	0.7
149.92212	0.6
151.04042	2.4
152.01154	100.0
153.01773	4.3
161.04581	1.2
163.04005	3.3
175.03990	0.6
177.01871	0.6
204.82162	0.5
271.08505	0.6
315.07373	1.1
424.24136	0.6
447.11432	98.2
448.11765	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	447.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15572	0.2
59.01383	0.4
61.98820	0.2
62.96403	0.9
70.01962	0.8
72.49581	0.2
78.95906	37.2
96.96957	2.6
142.07523	0.2
149.00092	18.0
150.00444	0.3
152.99637	0.3
158.92542	1.9
169.99168	0.2
179.01146	2.8
179.02661	0.2
205.15945	1.6
234.90021	0.2
239.34195	0.2
240.96696	0.2
267.11566	0.3
285.03860	0.4
333.06882	0.2
347.08206	0.2
417.12482	1.2
431.10342	2.1
432.10883	0.3
447.13422	100.0
448.13770	8.7
464.10028	0.3
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
51.42941	0.7
51.74849	0.8
54.36459	0.8
57.03442	3.6
59.01379	15.5
63.02404	4.1
65.00320	10.7
68.99799	1.1
71.01375	10.3
72.99307	2.4
73.02956	1.3
75.00877	5.8
83.01377	8.9
85.02953	31.3
87.00880	3.9
89.02457	2.5
89.90095	0.8
93.03442	7.7
95.01392	10.3
95.63979	0.9
99.00879	10.6
101.02417	1.2
103.00349	5.1
107.01395	18.9
113.02450	64.9
114.02787	2.3
115.00389	1.9
117.01940	3.2
117.03448	1.2
119.05027	49.1
120.05356	1.2
121.02982	1.0
125.02456	1.7
129.01959	1.3
145.02916	1.6
151.00363	72.4
152.00743	1.5
161.06021	1.2
165.01884	2.5
175.02464	21.6
176.02780	1.2
177.01929	7.6
182.75095	0.9
185.06068	2.0
187.03940	2.3
227.03529	1.0
227.07082	3.2
253.05112	0.9
255.02995	1.7
269.04553	5.8
270.04935	4.6
271.06122	100.0
272.06473	5.8
361.95117	1.1
418.21768	0.8
447.09308	10.3
448.09366	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
59.32833	0.2
61.07552	0.2
61.98827	2.0
63.02391	0.4
65.00326	0.7
67.95023	0.2
69.63408	1.1
71.01381	0.4
73.02927	1.0
83.01396	0.7
85.02932	0.3
89.02432	0.3
93.03468	0.3
98.19989	0.3
107.01382	1.9
113.02466	0.5
115.92089	0.2
116.92863	0.6
121.02961	0.2
132.02173	0.2
133.02957	9.2
138.25621	0.2
139.04214	0.2
149.02486	1.7
151.00375	5.4
157.68492	0.2
167.14346	0.2
171.04533	0.3
175.02551	0.3
175.03993	3.1
185.05992	0.2
189.05527	0.2
194.21086	0.2
197.05995	0.2
198.03230	0.3
199.04024	2.4
201.01942	1.1
211.13356	0.3
211.23619	0.2
213.05585	0.3
215.03452	0.4
217.05048	1.4
218.05309	0.2
223.03972	0.3
226.02715	0.2
227.03522	0.2
229.04997	0.3
229.14484	0.2
241.05016	1.0
242.05327	0.2
243.02960	0.8
255.03009	0.5
256.03784	0.2
257.04657	0.3
267.02969	0.3
269.04437	0.6
270.04974	0.5
271.02402	0.8
271.05118	1.1
272.18735	0.7
273.19159	0.4
284.03268	0.8
285.04028	100.0
286.01196	0.3
286.04370	6.6
300.02811	1.2
301.03409	0.4
327.04855	0.3
340.35077	0.2
429.08231	0.3
447.09232	4.1
447.22284	0.9
448.09369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.0
61.98812	0.4
63.02414	0.7
65.00332	0.6
66.99693	0.3
83.01387	0.7
85.02943	0.3
89.02432	1.1
93.74496	0.3
99.16505	0.3
101.02441	0.5
107.01388	2.0
108.12426	0.2
109.02931	0.5
113.02479	0.5
113.72314	0.2
121.02959	0.5
133.02945	4.0
134.03708	1.1
146.65828	0.3
148.01680	0.4
149.02397	1.3
149.99556	0.6
151.00375	4.4
151.04056	0.3
161.04543	0.5
166.87630	0.3
169.01407	0.3
171.04437	0.4
174.41600	0.3
175.04005	1.3
179.05652	0.8
183.04524	0.5
184.05336	0.3
185.06070	0.3
198.03194	0.4
199.04015	1.7
200.04733	0.5
201.02058	0.6
211.03979	0.9
212.04785	0.5
213.05653	0.4
215.03471	0.4
217.05052	0.8
227.03513	1.3
228.04218	0.3
239.03426	0.6
241.05043	0.6
243.03003	0.5
255.02939	1.0
256.03769	4.4
257.04361	0.3
269.04535	0.4
283.02597	0.7
284.03253	59.0
285.04016	100.0
286.04407	5.8
297.03888	0.2
327.05249	0.8
387.20258	1.0
447.09305	62.2
448.09622	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	447.0933
Annotation	luteolin-4'-O-glucoside
Peak:m/z	Relative Intensity
52.19192	0.2
57.03452	0.2
59.01375	0.7
61.02240	0.2
61.98830	7.7
63.02372	0.2
63.98372	0.2
65.00320	0.6
69.60875	1.3
71.01364	0.3
78.77794	0.2
83.01386	0.5
107.01373	1.7
133.01942	0.4
133.02948	6.9
149.02443	1.6
151.00365	5.2
169.06599	0.2
171.04405	0.4
173.06085	0.3
175.04010	2.7
176.04213	0.2
180.18190	0.2
197.06065	0.4
198.03214	0.3
199.02583	0.2
199.04056	2.1
201.01923	0.7
213.05591	0.4
215.03481	0.3
217.05025	1.5
223.03987	0.2
227.03448	0.3
241.05103	1.0
243.02879	1.2
255.02957	0.8
256.03796	2.2
257.04468	0.7
269.04535	0.5
271.02502	1.9
284.03271	3.1
285.04031	100.0
286.04373	6.7
300.02863	1.8
301.03458	0.7
314.04227	0.4
397.05817	0.3
447.09305	26.2
448.09671	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.7
61.98830	0.7
71.01394	0.9
71.29618	0.9
78.95906	19.4
85.02955	0.9
104.97455	1.0
110.98531	13.1
113.02451	1.4
117.03490	0.5
134.32359	0.4
137.65613	0.4
167.01151	15.0
185.02229	3.6
193.78314	0.4
219.93687	0.4
225.26231	0.4
269.04520	6.8
277.21710	100.0
277.79718	0.5
278.22061	7.1
380.81210	0.4
397.91449	0.5
437.23767	0.5
445.23587	26.3
446.24060	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.0
70.99468	0.4
70.99826	0.7
71.01385	0.6
78.95908	7.0
85.02960	0.5
88.68736	0.3
110.98530	5.6
111.85496	0.3
113.02479	1.0
152.99643	0.4
167.01146	3.3
185.02217	4.6
269.04578	3.9
277.21710	100.0
278.22064	7.4
445.23535	10.8
446.23767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18299	0.3
57.03442	0.6
59.01383	24.7
60.01699	0.5
61.98827	3.6
63.02393	0.5
65.00332	0.3
69.25191	2.6
71.01383	3.1
73.02938	1.2
83.01405	0.9
83.05061	0.4
85.02939	1.8
89.02442	3.1
93.03463	0.8
95.01413	0.5
101.02437	1.7
107.01382	1.0
111.04459	0.5
112.79192	0.3
113.02470	1.3
119.03516	0.8
119.05044	0.5
121.02917	0.3
125.02474	0.5
132.02188	0.4
133.02904	0.5
135.00883	0.5
137.02417	0.5
149.02435	0.3
151.00359	3.0
152.01155	0.3
153.01965	0.3
159.03064	0.4
159.04456	0.4
161.04564	1.3
163.00375	0.6
163.03943	0.5
165.01924	0.3
173.04533	0.8
174.03198	0.5
175.04004	0.5
178.99925	0.4
179.05605	0.6
183.04486	0.9
185.06035	0.9
187.04007	0.7
189.05589	0.4
191.05591	0.6
199.03972	0.6
211.03952	1.4
213.05469	0.6
221.34393	0.3
227.03493	59.5
228.03862	3.5
229.05096	1.6
229.08585	0.5
239.03461	0.6
240.04240	0.4
241.04970	0.7
255.02983	75.2
256.03589	9.8
257.04395	1.6
267.15909	1.4
269.04568	0.8
270.04840	0.5
271.05154	1.1
284.03256	70.4
285.03989	30.0
285.16974	0.5
286.04346	2.2
315.18234	0.4
327.05078	0.9
357.05869	0.4
387.20276	2.9
388.20554	0.5
403.07938	0.4
441.15625	0.3
447.09302	100.0
448.09616	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11737	0.4
55.01870	1.4
57.03452	2.5
57.82295	0.4
58.00586	1.2
59.01381	38.7
61.98832	3.0
63.02402	2.2
65.00327	1.0
69.03458	2.7
70.48713	1.2
70.49075	0.4
71.01380	26.3
72.99288	2.3
73.02944	3.9
75.00876	3.6
75.67855	0.4
81.03479	0.4
83.01376	1.5
84.02145	0.5
85.02951	18.8
87.00877	4.0
89.02445	21.2
93.03441	1.0
95.01389	4.8
97.02947	0.5
98.20585	0.5
99.00887	6.6
101.02438	11.6
102.12250	0.4
103.00385	2.8
107.01382	2.3
111.00921	0.6
113.02451	52.3
114.02774	1.3
115.00356	1.5
116.55071	0.5
117.01931	1.9
117.03452	4.7
119.03506	6.8
121.02950	1.2
125.02438	1.2
125.09730	0.6
129.01932	1.1
131.03526	1.3
135.04553	0.4
137.02391	0.4
139.00433	0.7
139.07727	0.7
143.03491	1.9
149.02428	1.5
149.04567	1.0
151.00369	1.9
157.01456	0.6
159.03033	1.3
159.04535	1.9
161.02435	1.6
161.04552	7.0
169.06618	0.5
173.04614	1.0
175.02458	6.7
179.05609	6.7
181.06616	1.8
183.04482	1.6
197.06041	1.6
198.06772	0.6
201.05515	0.8
209.11824	1.5
209.23550	0.5
223.09810	0.9
224.04868	0.7
225.05562	34.1
226.06242	5.7
241.08693	81.7
241.18097	1.1
242.09007	5.5
253.18124	1.0
265.18066	7.7
266.18536	0.7
269.04544	100.0
270.04883	6.6
271.19022	0.8
296.83521	0.4
297.07996	0.5
300.02594	0.5
301.03436	0.9
313.16467	0.5
327.21768	0.6
331.17664	4.3
345.74039	0.5
357.24689	0.4
362.96112	0.5
385.13095	0.8
385.22299	1.5
403.13931	0.8
445.07809	1.7
445.24963	5.8
446.24503	0.5
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
57.03446	0.9
58.00604	1.0
59.01381	100.0
59.65645	0.5
60.01723	0.9
61.85812	0.4
61.98834	2.6
69.03461	1.2
69.57133	1.4
69.57540	1.3
70.99627	0.6
71.01382	19.2
72.99310	1.4
73.02965	1.0
75.00889	0.7
79.05527	0.4
81.66521	0.4
82.05130	0.4
83.01404	0.7
83.05036	2.6
85.02959	3.7
87.00871	2.4
87.04529	1.0
89.02447	30.8
90.02823	0.6
93.03465	0.5
95.01400	1.6
96.96009	0.5
97.02972	1.1
99.00902	0.5
101.02450	9.3
103.00404	0.7
107.01457	0.5
108.02168	0.8
109.02958	0.5
112.34729	0.5
113.02454	8.9
119.03497	11.8
119.04848	0.5
121.06601	0.6
123.00890	1.2
123.04514	2.6
124.01678	3.4
125.02449	17.9
131.03529	1.6
137.02400	0.6
143.03517	2.9
143.04457	0.5
149.04527	1.0
149.99577	5.3
151.04062	0.6
158.41191	0.4
161.04550	5.0
161.06082	1.3
167.07106	0.5
168.00638	14.9
168.02028	0.9
169.01416	5.8
174.10295	0.5
177.05577	0.6
179.05608	20.3
191.05455	0.4
194.05797	0.5
195.04839	2.6
205.12274	0.8
209.08173	0.8
210.80046	0.4
265.10785	2.3
269.04526	2.2
283.06583	0.5
283.11966	0.5
287.07629	0.5
313.05692	1.2
331.06689	10.1
357.10147	0.6
385.09335	1.0
401.07944	0.5
445.09839	15.4
445.20764	1.6
446.10226	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99041	0.7
55.01875	3.4
57.03446	5.0
59.01380	25.0
61.98832	8.0
63.02391	1.0
67.01913	0.7
68.38927	0.8
69.03456	8.4
69.39121	4.2
69.39539	1.2
71.01383	51.9
71.03263	0.7
72.99297	1.9
73.02943	15.7
75.00871	2.5
83.01392	8.0
85.02953	29.1
85.43421	0.7
87.00901	3.6
89.02438	5.0
95.01376	5.5
97.02957	1.3
98.20676	1.2
99.00874	10.3
101.02444	34.3
103.00410	1.1
107.01404	2.3
113.02453	100.0
114.02791	1.7
115.00385	1.1
117.01967	0.8
117.03443	3.5
121.63254	0.7
125.02499	1.5
129.01942	2.2
135.04506	2.2
143.03502	2.8
149.02409	0.9
149.04520	1.0
151.00343	1.9
159.02992	5.7
159.04370	1.3
161.04558	45.5
175.02402	3.5
179.03531	1.7
183.04391	0.7
205.03517	1.5
225.05565	1.1
248.01608	0.6
264.90744	0.7
269.04550	58.6
270.04953	3.6
331.17612	76.0
332.17990	5.7
375.16370	1.1
435.08530	0.7
439.17783	0.8
445.20886	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.6
58.00584	0.8
59.01379	100.0
60.01725	0.6
61.98833	1.7
69.03468	0.6
69.44610	1.5
69.45016	0.6
71.01381	11.9
72.99310	1.1
73.02947	1.9
75.00874	1.6
81.03420	0.5
81.79465	0.3
83.01397	1.2
83.05059	0.5
85.02953	5.6
87.00877	1.6
89.02444	14.7
93.03476	0.6
95.01400	1.1
96.96034	1.1
97.02965	1.0
99.00889	1.1
101.02445	7.6
107.01382	0.5
108.91090	0.3
109.02971	0.7
113.02451	9.1
117.03485	0.7
117.14772	0.3
119.03506	6.4
121.02959	0.5
123.04531	0.6
124.69489	0.4
125.00732	0.3
125.02425	2.2
129.01949	0.8
130.59114	0.3
131.03531	1.0
137.02444	5.2
138.03265	0.6
143.03535	1.5
149.02559	0.5
149.04521	0.7
152.01877	0.8
159.03026	0.5
161.04533	3.5
163.04118	0.4
165.01904	0.8
167.03510	0.6
168.00653	0.4
173.04538	0.6
175.02487	1.2
178.03464	0.4
179.05592	3.8
187.11415	0.4
191.05504	0.3
192.01204	1.8
192.05016	0.3
205.12354	0.8
206.02893	1.1
208.04385	1.0
209.11810	9.4
210.12411	0.4
213.05598	1.2
218.02820	0.3
220.04401	1.2
223.13553	0.4
235.03232	0.3
235.05568	0.9
240.04384	0.4
241.05078	6.5
242.05421	0.8
244.04173	0.3
253.09351	1.3
261.03522	0.4
263.04947	8.2
263.07596	0.5
269.04544	12.4
270.04941	0.8
277.14328	0.4
300.02573	0.4
314.08844	0.5
315.08511	0.4
321.99442	0.4
330.04507	0.4
357.09329	0.5
383.07153	0.5
385.18732	3.0
386.18600	0.4
401.08090	11.5
401.13187	0.7
402.08511	1.2
445.07626	1.4
445.20319	2.2
446.21414	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34980	1.3
55.01876	4.2
57.03439	2.6
59.01380	28.8
59.17741	1.2
61.98831	18.8
69.03449	2.9
71.01382	94.4
71.49317	1.3
71.52802	1.9
72.99317	2.9
73.02945	34.9
75.00880	2.4
83.01400	7.7
85.02952	33.5
87.00874	5.2
87.04545	2.1
89.02448	18.5
92.06020	1.2
93.03439	1.5
95.01360	8.1
96.95996	2.6
97.02958	4.3
99.00880	30.0
101.02444	42.2
107.05029	100.0
108.05370	2.9
109.42525	1.6
111.00900	1.9
113.02449	41.1
114.02792	2.4
119.03524	1.7
123.00895	1.5
123.04573	1.8
125.02452	47.4
126.02774	2.0
131.03543	5.1
143.03514	6.1
148.24498	1.4
149.04570	3.8
151.00407	3.4
151.04015	5.7
152.74690	1.5
159.02972	7.9
161.04555	76.7
162.04993	1.5
165.05544	4.4
167.03545	1.3
168.00652	5.6
169.01410	48.8
169.02841	2.7
170.01733	1.6
179.05615	2.4
191.05609	2.7
269.04520	6.5
269.10205	10.0
287.07703	8.3
293.08740	2.0
331.06696	45.2
332.07025	3.2
401.14508	68.2
402.14886	5.6
416.48792	1.5
445.13605	84.7
446.13663	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	445.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58118	0.1
57.00753	0.1
57.03428	0.4
58.00593	0.2
59.01378	7.1
61.98814	0.4
63.02385	0.4
69.03450	0.4
69.36382	0.9
71.01380	3.8
72.99300	0.3
73.02936	0.4
75.00855	0.5
83.01363	0.3
85.02458	0.2
85.02941	2.9
87.00882	0.7
89.02444	4.0
95.01348	0.5
99.00887	0.9
99.69728	0.2
101.02435	1.8
103.00349	0.3
107.01362	0.3
113.02446	7.1
114.02768	0.2
117.01907	0.2
117.03440	0.7
119.03509	1.2
129.01886	0.2
135.04538	0.3
143.03499	0.3
149.02443	0.2
149.04532	0.2
151.00314	0.4
154.46397	0.1
159.04466	0.3
161.02484	0.2
161.04581	0.9
169.06609	0.2
171.04431	0.2
171.99722	0.2
175.02473	0.8
179.05598	1.3
180.05769	0.3
181.06592	1.9
182.06938	0.2
183.04489	0.7
197.06062	1.5
198.06880	1.4
209.06009	0.3
209.11787	0.2
224.04762	0.2
225.05554	42.1
226.06229	7.2
227.06654	0.3
239.07101	0.2
240.08025	0.2
241.08687	100.0
242.09019	6.6
269.04541	13.9
270.04852	0.7
315.18094	0.2
327.21765	0.4
331.17560	0.4
385.12936	1.5
386.13251	0.2
403.13831	0.8
445.08508	0.2
445.15442	0.8
445.24756	1.2
446.15320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.0
60.01720	0.9
61.98827	0.8
69.03456	4.6
69.49158	5.1
69.68941	0.7
71.01379	4.5
79.01903	2.0
81.03456	1.5
83.01381	2.0
85.02972	1.9
87.00865	0.8
87.04502	4.4
89.02458	2.5
95.01403	2.6
97.02962	4.0
101.02439	2.5
107.01385	3.3
108.02207	1.1
109.02946	1.0
113.02459	7.8
119.03547	1.3
121.02931	0.9
123.00890	9.8
123.04472	1.4
124.01665	24.6
125.02449	100.0
126.02776	1.8
131.03490	4.7
136.01633	0.8
136.57257	0.7
137.02472	3.7
146.08583	0.7
149.99588	37.4
151.00351	2.6
151.03987	5.4
152.08430	1.5
153.09224	2.9
161.04539	1.6
167.03511	2.3
168.00641	80.6
169.01428	12.8
177.05617	3.8
179.02022	0.8
179.05594	1.5
183.63226	0.6
189.05588	0.9
195.04799	0.7
196.63631	0.7
205.12274	0.8
221.04553	0.7
223.13359	1.5
287.07727	1.8
313.05704	7.0
314.05972	0.9
331.06693	50.5
332.07034	3.8
385.18628	3.1
427.08618	1.1
445.09839	93.8
446.10156	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	445.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26128	0.8
59.01379	6.4
71.01375	3.9
71.50993	1.0
71.51360	1.0
72.00909	0.9
75.00875	69.7
78.54919	0.9
89.02444	4.2
101.02451	2.1
103.00373	100.0
104.00715	2.2
104.03552	6.1
113.02431	1.8
119.03442	1.9
149.04512	2.6
179.05637	2.7
184.77773	1.0
217.00931	0.8
341.10889	10.8
349.10651	0.9
369.53333	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71967	0.2
55.01872	0.2
57.03450	0.8
59.01069	0.3
59.01381	10.4
61.98830	100.0
66.96213	0.2
71.01382	5.2
72.99325	0.2
73.02939	1.3
75.57461	0.2
81.03491	0.2
83.01386	0.5
85.02956	2.5
87.00879	0.5
89.02448	2.8
90.87277	0.2
93.03484	0.3
95.01422	0.4
97.02985	0.3
98.19888	0.5
99.00913	0.6
100.01268	0.2
101.02441	2.8
102.02769	0.2
110.19437	0.2
113.02449	3.0
114.02795	0.4
119.03527	0.8
119.05023	0.2
123.04552	0.4
125.02467	0.7
129.02014	0.2
137.02498	0.5
143.03503	0.5
159.03047	0.6
161.04559	5.4
167.03543	0.4
168.00659	0.2
173.04568	0.2
177.95131	0.2
178.10027	0.3
179.05649	0.8
193.12344	3.3
265.10815	0.5
269.04501	1.1
289.07224	0.2
354.07047	0.5
355.17249	0.3
384.14072	0.7
385.18967	0.2
402.14828	1.2
444.10541	0.7
444.16129	0.5
445.21265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.2
69.03467	2.5
70.82963	1.1
70.83295	1.4
71.01385	1.6
73.02942	1.3
73.43968	0.6
77.73248	0.6
79.01892	1.1
81.03432	1.1
83.01395	1.5
85.02965	1.0
85.08453	0.6
87.04526	2.4
88.98839	0.8
89.02441	1.8
95.01364	0.8
97.02958	1.9
99.00877	2.7
101.02424	1.2
113.02438	3.9
114.93392	1.0
119.03567	0.9
121.45336	0.6
123.00881	5.0
123.04537	1.3
124.01673	11.0
125.02448	100.0
126.02775	1.8
131.03508	2.1
137.02443	1.4
139.00275	0.7
149.99590	12.8
151.00354	1.3
151.03955	0.7
161.04523	0.8
167.03465	1.3
168.00639	35.7
169.01421	80.0
170.01773	2.9
177.05589	2.0
179.07042	0.6
181.01389	0.7
191.05574	1.1
195.04716	1.0
269.04575	1.0
287.07703	13.6
307.45773	0.7
313.05756	3.1
331.06693	82.2
332.06985	5.5
445.09644	38.4
446.09857	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	444.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71967	0.2
55.01872	0.2
57.03450	0.8
59.01069	0.3
59.01381	10.4
61.98830	100.0
66.96213	0.2
71.01382	5.2
72.99325	0.2
73.02939	1.3
75.57461	0.2
81.03491	0.2
83.01386	0.5
85.02956	2.5
87.00879	0.5
89.02448	2.8
90.87277	0.2
93.03484	0.3
95.01422	0.4
97.02985	0.3
98.19888	0.5
99.00913	0.6
100.01268	0.2
101.02441	2.8
102.02769	0.2
110.19437	0.2
113.02449	3.0
114.02795	0.4
119.03527	0.8
119.05023	0.2
123.04552	0.4
125.02467	0.7
129.02014	0.2
137.02498	0.5
143.03503	0.5
159.03047	0.6
161.04559	5.4
167.03543	0.4
168.00659	0.2
173.04568	0.2
177.95131	0.2
178.10027	0.3
179.05649	0.8
193.12344	3.3
265.10815	0.5
269.04501	1.1
289.07224	0.2
354.07047	0.5
355.17249	0.3
384.14072	0.7
385.18967	0.2
402.14828	1.2
444.10541	0.7
444.16129	0.5
445.21265	0.4
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
53.66998	0.2
55.01876	0.6
56.26093	0.2
57.03453	0.6
59.01379	100.0
60.01715	1.1
61.98829	0.5
70.67529	0.5
70.67872	0.2
71.01381	8.0
72.99305	0.3
73.02940	2.0
79.48576	0.2
83.01397	1.0
85.02949	3.9
87.00896	0.7
89.02448	1.7
95.01412	0.5
97.02943	0.3
99.00889	0.8
101.02446	4.3
113.02462	2.8
115.00400	0.5
119.03531	0.6
120.24136	0.2
125.02486	0.4
129.01968	0.3
159.03075	0.4
161.04549	3.5
175.02499	0.3
225.05928	0.2
229.14528	0.3
327.21863	1.3
401.25427	6.2
402.25873	0.5
443.15552	0.3
443.26797	1.3
445.24445	0.4
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
51.26760	0.3
57.03456	0.6
57.12592	0.2
57.31773	0.3
59.01380	100.0
60.01707	0.9
61.98833	0.4
71.01386	3.6
71.53399	0.4
71.53796	0.3
73.02955	1.0
82.22594	0.3
82.26057	0.3
83.01398	0.5
85.02957	2.0
88.67836	0.3
89.02468	1.2
99.00869	0.5
101.02441	2.2
106.37770	0.3
113.02472	1.1
119.03505	0.7
155.14990	0.4
161.04597	1.4
242.57329	0.4
274.08813	0.3
358.16571	0.3
383.24384	0.3
401.25461	2.3
443.26642	1.1
455.51566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01382	8.4
60.01706	0.3
61.98831	1.8
63.02399	0.4
65.99844	0.4
69.03461	0.3
69.06329	0.2
71.01385	2.6
71.05009	0.3
71.53883	0.3
72.99290	0.2
73.02944	0.5
75.00883	0.5
78.95912	0.3
81.03483	0.2
83.01398	0.4
85.02956	3.0
87.00874	0.4
87.04521	0.7
89.02444	1.4
95.01390	0.8
99.00919	1.0
99.04527	0.2
100.53156	0.2
101.02462	0.6
103.00367	0.6
106.89162	0.2
107.01448	0.3
109.02946	0.4
111.00844	0.3
113.02454	5.3
117.01929	0.2
117.03460	0.6
119.03468	0.3
121.02930	0.3
124.01662	0.3
125.02456	0.6
128.10052	0.3
131.03494	0.4
137.02466	2.6
138.03236	5.6
139.03616	0.2
149.02509	0.2
149.90814	0.2
151.00337	0.4
159.04543	0.4
161.04604	0.6
161.42401	0.2
167.02240	1.8
167.03517	0.6
168.03021	100.0
169.03387	3.4
175.02472	1.1
183.13852	0.2
197.06200	0.2
221.08171	0.8
222.08522	1.1
225.05623	0.3
226.06413	0.5
227.03578	0.2
241.08730	0.8
244.19537	0.2
253.13158	0.2
263.16620	0.4
264.16931	0.4
269.04553	17.7
301.03494	0.3
330.08304	33.3
331.08649	2.3
331.17612	0.5
444.23050	0.2
445.07553	0.5
445.19275	0.2
445.25116	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1921
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01876	1.6
57.03447	1.7
58.00584	0.8
59.01381	36.6
60.01723	0.4
60.55566	0.5
60.99300	1.7
61.98814	0.5
65.25431	0.4
69.20209	3.7
71.01383	26.2
72.01719	0.7
72.99297	1.7
73.02947	4.9
75.00859	0.5
77.98555	0.4
83.01414	4.3
85.02952	9.5
86.00132	0.4
87.00874	1.9
88.98808	10.9
89.02442	15.2
93.03454	1.6
95.01389	2.4
99.00883	1.8
99.81384	0.5
101.02443	17.9
109.02911	0.5
111.04504	1.2
113.02445	9.2
119.03498	7.3
122.03721	2.0
123.04514	2.3
131.03503	0.5
135.04524	3.2
137.02477	0.5
143.03502	0.8
151.00392	0.6
153.94460	0.4
159.03012	0.6
161.04555	3.1
163.55701	0.4
166.52284	0.4
167.03450	0.7
169.84491	0.5
173.04539	5.7
179.03491	4.7
189.12828	1.3
191.05615	1.8
205.05009	0.7
214.07693	0.4
237.14900	0.8
245.04527	1.7
263.12994	0.4
281.13898	0.6
298.55469	0.4
329.08698	2.0
331.36899	0.4
353.08755	5.5
354.09161	0.5
407.09866	1.2
443.19202	100.0
444.19510	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	443.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40932	0.4
57.03445	0.8
59.01382	100.0
60.01714	1.0
61.88832	0.4
61.98826	1.4
62.71422	0.5
70.11357	0.4
71.01391	2.5
71.53788	0.7
73.02956	1.2
83.01402	1.2
85.02955	2.1
92.59280	0.4
93.03467	0.4
99.00889	0.5
99.35479	0.4
101.02451	2.0
110.61986	0.4
113.02490	1.3
118.89246	0.4
151.03990	0.7
159.03123	0.5
161.04617	0.8
199.51936	0.5
294.48349	0.4
383.24344	1.0
401.25388	3.1
402.25815	0.5
411.11237	0.7
443.26486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.8
57.03424	3.2
59.01380	84.5
59.47393	1.5
61.98830	87.9
69.03439	3.1
70.72072	1.2
71.01385	45.1
71.53725	2.0
72.99303	3.2
73.02946	17.8
79.01870	1.2
81.03441	3.0
83.01379	5.9
85.02950	31.7
87.00897	6.7
87.55621	1.3
89.02453	12.2
93.03437	4.9
95.01390	6.7
97.02937	5.0
97.27850	1.2
99.00886	12.0
101.02442	32.0
105.03347	2.2
107.05012	1.9
107.80733	1.3
108.02156	3.7
109.02922	2.3
111.00866	4.5
111.04495	1.3
112.01669	3.2
113.02445	37.7
117.03468	5.8
119.05010	4.0
123.04528	4.6
125.02413	3.7
129.01878	2.7
131.03464	1.9
135.04514	4.3
137.02484	3.7
143.03503	7.7
145.02983	1.5
149.02411	2.3
152.01117	3.5
155.03493	2.3
159.02971	3.9
161.02478	3.2
161.04559	20.0
163.04027	4.5
167.03481	11.4
173.04567	2.6
175.03967	1.6
177.05563	2.0
179.05589	1.6
189.01987	1.9
189.05637	1.6
191.03519	1.8
203.07207	2.8
208.99098	1.5
242.05464	1.5
267.06656	2.0
269.10260	19.7
270.10632	2.1
282.05371	3.0
283.06131	2.3
295.06189	3.0
296.06854	2.4
297.07648	30.6
298.08017	1.5
300.43198	1.3
307.06165	1.8
309.09903	3.1
311.05600	1.4
311.11313	5.2
323.05585	3.7
325.07083	15.6
328.06000	2.3
329.08948	2.4
335.05679	2.2
337.07224	2.0
353.06677	55.3
354.07040	5.2
365.06650	3.5
383.07861	5.4
383.13467	28.3
384.13699	1.9
401.14526	79.0
402.14822	6.7
443.09848	100.0
443.15469	10.5
444.10196	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	443.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.8
57.03447	3.7
59.01379	15.9
61.98811	4.6
67.93491	1.3
68.99814	1.4
69.03446	3.2
71.01381	79.4
71.53066	2.7
72.99310	2.2
73.02947	23.4
75.00851	1.9
76.95065	1.1
78.45532	1.3
81.03477	1.6
83.01392	7.5
85.02950	32.0
85.93405	1.4
87.00877	4.1
89.02435	4.3
93.03474	1.5
95.01388	6.2
97.02944	2.2
99.00874	9.7
99.04539	3.1
101.02443	39.9
108.02178	8.1
109.02980	10.1
113.02453	38.6
122.03744	37.1
123.04527	100.0
124.04833	3.1
125.02441	2.7
137.02406	4.8
137.66806	1.4
143.03474	4.6
149.02362	2.2
159.02989	8.8
161.04550	95.0
162.04889	4.0
167.03548	6.7
205.03477	1.7
266.96796	1.3
277.47305	1.5
285.09769	5.3
329.08780	66.5
330.09131	4.8
398.98703	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	443.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78711	0.5
55.01884	2.6
57.03442	1.5
58.00599	1.0
59.01380	100.0
59.87716	0.4
60.01730	1.0
68.17269	0.5
69.03460	0.8
71.01382	32.5
71.22143	1.0
72.99310	1.1
73.02946	19.9
75.00870	0.9
81.03480	0.6
83.01387	6.5
83.12398	0.5
85.02944	16.4
87.00883	1.5
89.02443	5.8
89.02950	0.6
95.01389	3.2
97.02982	1.1
99.00887	10.0
101.02441	25.8
107.05066	1.2
111.00880	0.7
112.01675	1.6
113.02451	16.0
123.04499	1.2
125.02448	2.0
129.01978	0.9
131.03490	1.2
135.04578	0.6
143.03519	2.4
149.02469	1.5
159.02960	2.9
161.04544	16.6
167.03522	0.6
174.15192	0.5
174.99004	0.5
177.70605	0.5
203.07077	1.7
251.09222	3.0
269.10275	24.4
270.10675	1.4
285.04013	4.0
287.97913	0.5
311.11374	5.5
329.08597	1.3
383.13498	1.5
401.14499	44.3
402.14844	3.4
443.15558	47.5
444.15967	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	443.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24910	0.9
55.01881	1.6
57.03437	2.3
59.01112	1.3
59.01380	19.9
60.99307	15.9
61.98811	1.1
67.01886	1.8
69.03463	1.9
69.17207	1.0
71.01385	27.1
71.52988	1.3
72.99308	2.1
73.02948	5.6
75.00869	1.2
79.73072	0.8
80.25851	0.9
83.01394	3.1
85.02947	15.0
87.00876	1.7
88.98804	100.0
89.02446	11.1
89.99153	1.5
93.03453	11.7
95.01394	2.2
99.00890	2.0
99.04527	1.7
101.02448	15.9
107.04974	1.2
108.02179	1.3
109.02950	2.8
111.00932	1.7
111.04530	3.1
113.02440	14.3
119.03480	2.8
119.05031	2.7
120.99616	1.0
121.02893	1.1
122.03745	12.8
123.04530	16.3
125.02421	3.0
135.04523	32.5
137.02417	4.9
137.91991	1.1
143.03488	1.6
149.06099	1.2
155.03452	2.2
159.02975	1.1
161.02457	2.1
161.04552	18.4
162.04944	1.1
163.03996	3.6
166.95195	1.0
167.03481	6.0
173.04544	54.8
174.04953	1.5
177.05566	1.4
179.03487	37.6
180.03825	0.9
187.03970	1.5
191.05615	23.9
192.06097	1.1
205.05025	4.0
215.03362	1.3
218.82985	1.1
231.02943	1.1
243.03030	1.4
245.04605	1.4
255.03041	1.2
285.09885	1.5
329.08734	10.0
338.89697	1.0
353.08762	43.2
354.09216	3.5
381.06189	2.3
399.07092	1.9
425.04916	1.1
443.06259	3.6
443.12061	2.2
443.19263	44.6
444.19382	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	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
59.01379	100.0
60.01707	0.7
61.98838	0.9
67.95058	0.2
69.64417	1.0
71.01382	1.9
71.04987	0.2
73.02967	0.6
73.11920	0.2
82.87859	0.2
83.01378	0.3
85.02512	0.2
85.02959	0.9
87.00877	0.2
89.02446	0.6
94.88806	0.2
97.02973	0.2
101.02414	1.1
103.93302	0.2
112.61931	0.2
113.02411	1.1
117.89412	0.2
119.05138	0.3
125.02556	0.2
131.38147	0.2
137.02448	0.3
161.04593	0.8
165.09215	1.5
173.04651	0.2
191.05629	0.3
220.52257	0.2
228.17471	0.2
273.63049	0.2
289.47101	0.2
329.05164	0.2
368.47073	0.2
382.14185	0.3
399.23990	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72177	0.3
55.01883	0.3
55.35446	0.3
57.03453	1.8
57.70478	0.3
59.01381	100.0
60.01717	1.0
61.98830	0.9
67.01894	0.4
69.03466	0.5
69.49200	1.9
71.01382	3.8
72.01705	0.3
72.99284	0.3
73.02956	1.3
83.01395	1.2
85.02945	3.0
85.06450	0.3
87.00881	1.0
89.02460	1.3
93.03454	3.6
99.00889	0.8
101.02443	2.2
102.98655	0.3
103.00390	0.5
111.00907	1.1
111.04524	0.7
113.02437	1.5
119.03475	0.4
119.05059	1.6
121.02983	0.4
125.02448	0.4
129.01959	0.9
137.02443	0.6
145.02986	0.4
147.02954	0.4
155.03484	0.4
161.04538	1.5
163.03993	1.7
164.04332	0.4
168.04225	0.4
173.04544	3.0
179.05594	0.4
191.02005	0.9
191.05624	4.1
192.06015	0.3
195.08931	0.3
207.10187	0.3
209.03131	0.6
223.13419	1.4
225.63326	0.3
252.70313	0.3
260.02808	0.3
267.12463	1.0
286.78476	0.4
293.60522	0.5
294.11203	0.6
305.06854	0.4
399.24097	1.3
405.21530	1.5
429.95804	0.4
441.17630	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01881	0.3
56.98222	0.1
57.01730	0.1
57.03448	0.4
59.01377	100.0
60.01715	0.7
61.98833	0.4
69.27187	0.5
69.27617	0.6
71.01375	4.4
73.02940	1.4
83.01366	0.7
84.72626	0.1
85.02956	2.4
87.00903	0.3
89.02453	0.4
93.03472	0.4
95.01398	0.4
96.95998	0.3
99.00886	0.5
101.02439	2.7
107.73759	0.2
111.00893	0.2
113.02435	1.7
119.05025	0.4
121.02952	0.2
125.02478	0.2
125.47517	0.1
129.01959	0.2
159.03015	0.5
161.04546	2.1
163.03973	0.3
165.01918	0.1
172.65475	0.2
173.04527	0.3
179.05650	0.1
186.30656	0.1
191.05630	0.3
225.05675	0.3
237.18834	0.2
241.08685	1.8
242.09093	0.2
267.16223	0.2
305.06680	0.1
399.23853	2.6
403.13849	0.2
441.24902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1897
Annotation	Go 6983 6983
Peak:m/z	Relative Intensity
50.11172	9.6
55.13207	8.5
57.99434	8.8
64.99742	10.6
69.39297	81.3
69.39616	14.8
75.44987	10.8
89.40336	13.1
98.19899	16.5
105.41481	9.8
118.64098	9.4
141.96675	11.1
189.20663	11.1
441.19147	100.0
442.19272	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	441.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.8
59.01118	0.4
59.01373	5.5
59.98513	0.5
67.01855	0.6
69.03429	0.9
69.38806	1.1
69.39233	2.2
71.01357	1.4
71.05021	4.1
72.99272	1.3
73.02898	1.1
81.03459	4.0
83.05031	5.1
84.02115	0.6
85.02940	1.4
87.00865	0.9
93.03458	7.7
98.20725	0.7
99.04519	34.1
100.04819	0.7
103.00352	0.6
111.00874	0.9
111.04520	6.7
119.04971	1.6
127.03983	0.6
129.01936	1.0
137.02417	1.4
137.09656	0.7
145.02846	0.6
147.85555	0.4
155.03523	6.3
163.03998	2.4
164.04303	0.6
165.09259	0.5
167.10776	6.6
168.11176	0.6
173.04543	20.4
174.04793	0.5
175.11246	0.9
175.14876	1.7
179.10782	1.9
187.14900	1.2
191.05595	1.9
205.15881	1.2
207.13872	3.4
219.13908	6.7
220.14072	0.4
223.13280	0.8
231.13898	7.8
236.55998	0.4
249.14949	12.9
267.15994	100.0
268.16327	7.1
293.60468	0.6
294.11066	0.9
294.61014	0.8
321.49094	0.4
441.21350	22.4
442.21741	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	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
58.00598	0.9
59.01379	100.0
60.01732	1.3
61.98832	1.8
67.19444	0.4
69.90741	0.9
69.91143	1.6
70.85358	0.4
71.01381	19.9
72.99322	1.3
73.02946	8.7
83.01387	3.3
85.02945	4.8
85.55082	0.4
87.00871	0.6
87.04521	0.6
89.02448	12.2
95.01396	1.1
97.03007	0.6
99.00909	1.2
99.92596	1.3
101.02444	13.7
101.06078	0.6
105.80914	0.4
113.02449	7.8
113.03169	0.6
114.36530	0.4
115.92117	0.5
116.92869	0.9
119.03513	5.8
125.02454	0.6
131.03545	1.2
136.57872	0.4
143.03542	1.8
149.04544	1.0
161.04535	4.4
179.05598	3.0
219.13898	4.9
381.22812	0.8
399.24039	2.4
410.02631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88526	0.8
57.02541	0.9
57.03454	5.8
59.01379	100.0
61.23147	1.0
61.98835	2.0
65.31771	1.0
68.88289	1.0
69.63628	6.7
71.01385	1.6
71.05005	1.8
79.84396	1.2
83.05025	2.5
85.02974	4.9
85.68169	1.0
86.91261	1.1
87.00873	4.5
93.03460	9.0
96.96017	2.6
98.95583	1.9
99.00869	1.9
99.04536	3.1
99.60398	1.1
111.00889	3.4
111.04518	7.1
119.05039	2.4
127.03979	1.3
129.01938	2.5
137.02438	1.6
153.39299	1.1
155.03503	7.9
161.09708	1.4
161.13354	3.8
163.04004	1.5
173.04559	26.4
191.05597	31.4
207.10228	3.4
223.13370	54.0
224.13747	2.4
267.12363	66.8
268.12701	3.8
434.46506	1.1
441.11505	2.8
441.17639	62.5
442.12628	1.2
442.17755	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	441.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16033	0.7
57.03429	2.3
59.01381	69.3
65.92665	0.7
69.45515	5.7
69.45845	1.0
69.71437	0.7
71.01366	1.0
81.03471	1.0
82.18494	0.7
83.05038	1.7
85.02946	7.5
87.00871	2.7
93.03465	6.2
97.02943	1.5
109.02956	3.3
111.04528	4.4
123.04505	2.3
125.02453	9.8
127.03980	2.1
137.02451	2.7
142.20340	0.8
151.03946	1.1
155.03497	5.2
161.06116	1.0
161.13339	2.4
165.01933	0.9
169.01421	15.2
173.04552	14.0
179.03477	1.1
191.05618	100.0
192.05971	3.6
203.07129	1.7
203.40979	0.9
205.05179	1.0
207.10205	1.9
223.13394	68.2
224.13817	4.3
232.09172	0.7
245.08144	2.2
267.12372	16.1
289.07178	12.5
303.04669	0.7
441.08136	3.3
441.17624	33.4
442.17947	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95658	0.6
57.03446	9.2
59.01380	68.5
61.98821	1.0
64.52312	0.7
67.01886	1.3
67.84194	0.6
69.03471	0.9
71.01397	2.3
71.05061	1.1
73.02963	2.0
79.40242	0.6
81.03452	2.9
83.01406	2.7
83.05049	2.6
84.88789	0.7
85.02951	8.0
87.00877	4.9
93.03458	10.1
99.00926	0.8
99.04520	5.2
102.04900	0.7
103.00379	4.7
109.03008	1.1
111.00868	5.1
111.04536	5.0
119.05037	1.1
125.02537	0.7
127.04027	2.7
129.01941	3.7
129.71405	0.6
137.02444	1.3
155.03516	5.1
161.02457	0.6
161.09729	0.9
161.13399	1.8
163.11336	1.3
167.10802	5.0
173.00940	1.0
173.04546	22.6
183.34041	0.6
187.11284	1.5
191.05612	100.0
192.05974	3.2
205.12315	1.9
207.10251	4.0
223.13385	50.6
224.13751	3.6
249.11371	1.9
267.12360	24.0
267.15970	14.1
268.12650	2.2
268.16086	0.6
291.12482	1.2
299.04492	0.6
309.13385	2.5
353.12375	2.0
403.13730	0.7
441.17517	33.1
442.17816	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43702	0.7
57.03451	7.0
59.01381	94.5
67.01907	0.9
69.03455	1.0
69.28900	2.4
69.29324	3.2
71.01389	1.6
73.02944	0.8
74.80131	0.7
81.03471	1.4
83.01402	1.8
83.05034	1.9
85.02956	8.4
87.00864	4.8
93.03462	8.8
96.96024	1.5
98.95596	1.6
99.00901	1.5
101.02450	0.8
103.00366	6.2
109.03013	0.9
111.00889	5.3
111.04514	6.7
118.97836	0.7
127.04046	2.5
129.01988	3.2
135.29340	0.7
137.02496	1.2
155.03482	7.0
161.13377	2.3
163.03995	1.4
163.11290	1.1
171.03317	0.8
173.00929	1.2
173.04556	22.1
191.05623	86.2
192.05891	1.7
207.10231	1.9
223.13397	100.0
224.13702	5.3
249.10579	1.0
267.12381	14.3
267.15503	1.1
307.10541	1.1
309.13400	0.8
322.67737	0.9
353.12485	2.2
393.01602	0.7
397.14093	0.8
441.17627	42.2
442.17725	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	441.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20284	0.7
57.03450	7.7
57.81131	0.7
59.01376	6.6
60.15988	0.7
61.98825	2.4
67.01884	0.8
70.67224	1.6
70.67565	1.1
71.01381	4.6
81.03469	1.2
82.27934	0.8
83.01389	1.3
83.05045	1.6
85.02953	3.0
87.00887	1.6
89.02448	3.1
93.03427	1.3
94.04230	1.0
95.01357	1.4
95.05033	2.7
96.96030	0.9
97.02952	6.2
97.06601	2.3
99.04535	1.1
101.02442	2.4
101.06127	0.9
107.05029	2.9
109.02956	6.6
109.06582	6.9
111.04504	5.3
113.02464	5.7
119.03541	1.4
119.05013	3.6
119.08670	2.1
121.03033	0.7
121.06599	4.7
122.03739	11.2
123.04557	4.3
124.05293	15.6
125.02454	1.9
125.06124	5.1
135.04521	2.9
135.08154	1.2
137.06075	11.2
139.07649	100.0
140.07996	3.8
145.06551	0.9
145.10144	0.7
147.08171	3.8
148.05321	0.9
149.06081	3.3
151.04021	3.0
153.05594	1.8
161.04553	1.3
162.06781	1.0
163.04005	4.1
163.07661	2.3
163.11336	1.3
165.05612	1.0
168.07910	21.5
169.08710	7.2
170.09074	1.3
171.08124	2.5
175.00323	0.8
175.07692	0.9
175.11253	0.9
177.12883	1.7
185.09778	0.9
187.07796	0.9
187.11253	15.6
188.11604	1.0
189.05600	1.8
189.09200	1.9
190.09962	3.1
201.45282	0.8
205.12326	29.3
206.12692	2.1
217.12401	1.8
229.12326	1.8
231.10181	3.1
235.13399	5.4
249.11266	5.0
259.13312	1.0
261.11221	2.1
266.67078	0.9
273.11438	3.7
279.12360	77.4
280.12704	5.7
291.12262	1.6
303.12372	6.6
321.13452	3.1
364.07050	0.9
403.14996	3.8
405.21350	5.5
441.09174	1.4
441.18854	19.2
442.19125	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
76.17240	0.3
78.94132	0.4
80.69753	0.3
101.42729	0.3
148.52876	0.3
171.32190	0.4
204.57648	0.4
211.21376	0.4
229.34973	0.4
318.21570	0.4
332.45642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
76.17240	0.3
78.94132	0.4
80.69753	0.3
101.42729	0.3
148.52876	0.3
171.32190	0.4
204.57648	0.4
211.21376	0.4
229.34973	0.4
318.21570	0.4
332.45642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0824
Annotation	(+)-Catechin 3-Gallate
Peak:m/z	Relative Intensity
57.03453	4.3
57.98857	0.5
58.00577	0.8
59.01380	13.5
61.98845	3.2
64.87092	0.6
65.00311	0.6
65.57844	0.7
66.88484	0.6
69.03450	1.5
69.54524	4.3
71.01073	0.6
71.01385	7.4
73.02953	0.7
77.21936	0.6
78.02919	0.7
81.03463	3.6
83.01396	3.6
85.02919	2.6
87.00890	1.1
89.02445	6.5
93.03442	2.4
95.01386	2.4
95.05013	2.8
97.02951	6.4
98.19946	0.8
101.02477	4.1
107.01366	1.1
109.02952	23.7
111.04512	1.4
113.02431	3.4
119.03500	3.1
119.05013	1.0
121.02955	3.9
122.03745	1.4
123.00906	3.5
123.04518	14.5
125.02445	64.5
126.02753	1.3
133.06563	1.2
135.04507	2.3
137.02443	17.6
139.04004	3.5
139.07607	2.0
140.01085	1.4
145.02933	3.0
146.03764	1.1
149.02455	5.5
150.03212	0.7
151.04001	10.8
159.04532	3.3
160.05275	1.7
161.02321	0.8
161.04622	1.6
161.06055	7.0
162.03195	1.7
163.03979	3.2
163.58124	0.6
164.01184	3.6
165.01921	6.0
167.03484	2.6
168.00603	1.1
169.01418	73.1
170.01764	1.8
173.04512	1.8
173.06021	1.3
175.03984	1.6
175.07591	1.6
179.03482	7.5
179.05667	1.2
183.77954	0.7
185.06049	1.1
187.04016	5.3
188.04712	3.7
191.05602	5.3
193.01360	3.3
199.07596	1.3
202.06375	3.0
203.07126	16.3
205.05032	10.3
205.12328	0.9
217.08800	0.9
221.08174	2.9
223.13344	1.6
227.07123	2.9
229.05118	0.8
230.05814	1.4
241.05072	2.0
245.08188	22.2
246.08504	1.8
247.06030	1.3
253.05055	1.1
259.05969	0.9
267.12222	1.1
271.06021	3.4
283.73880	0.7
289.07169	100.0
290.07532	7.2
303.04959	1.2
315.05103	1.0
330.13254	2.5
331.04608	2.3
331.13879	2.0
397.18576	0.8
407.23059	0.7
416.67484	0.7
441.08243	29.7
441.17508	11.5
442.08432	3.9
442.18021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90374	1.5
59.01370	5.4
61.98829	1.8
71.01373	2.4
85.02944	2.5
88.98809	5.5
89.02422	2.7
96.96011	3.7
119.03557	2.1
123.00989	1.5
125.02460	3.7
149.40089	1.7
150.14134	1.6
151.53491	1.5
169.01453	1.6
177.56128	1.7
192.05829	1.7
237.31825	1.6
241.14415	4.0
314.33444	1.7
317.77609	1.8
403.19778	15.0
439.17419	100.0
440.18222	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	439.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68902	3.6
54.62285	3.8
55.25143	3.6
59.01384	24.4
61.98812	5.4
66.54415	3.4
69.57314	27.4
71.01379	11.5
75.00867	6.6
89.02455	19.6
90.18221	3.9
96.96004	15.2
98.20660	5.0
101.02461	5.3
125.02461	11.1
135.02975	12.7
137.02443	5.4
149.02376	9.7
149.04524	25.9
150.03194	16.0
165.01923	12.9
165.05617	24.9
180.04312	7.1
195.06595	33.0
269.99963	4.2
307.13986	12.9
391.14090	6.3
439.07886	4.7
439.17404	100.0
440.17538	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	439.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78515	0.9
59.01376	6.6
61.98819	1.5
69.03457	1.2
71.01386	2.0
71.05025	6.1
71.66243	1.0
79.95727	9.6
79.96059	0.8
80.91690	2.3
85.02940	2.2
87.00877	1.8
89.02428	3.3
90.38160	1.1
93.03446	3.2
95.95232	3.2
96.96011	21.3
97.02956	2.6
99.04513	8.6
99.47887	0.9
101.06082	7.2
104.61536	1.1
113.02442	3.1
115.03995	2.9
117.05583	7.3
119.05027	98.6
120.05353	2.7
131.03505	1.2
143.03490	27.1
145.02899	4.6
149.04539	16.9
161.04552	96.7
162.04854	2.3
163.04005	100.0
164.04347	4.3
173.04482	2.5
189.51173	1.0
191.05624	10.0
259.02817	1.0
278.82269	0.9
293.08755	46.3
294.09167	1.8
307.08200	1.8
313.33765	1.0
325.09143	8.1
439.10733	16.6
440.11581	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57471	0.3
52.41077	0.3
59.01376	0.9
67.59322	0.3
68.30958	0.3
69.03452	0.7
69.54359	0.7
69.54768	1.4
71.01392	0.3
71.05000	0.4
79.95741	1.3
80.66022	0.3
87.00884	0.3
89.02426	0.3
90.25774	0.3
93.03435	0.3
95.95255	0.5
96.96026	2.1
99.04529	0.8
100.73067	0.3
101.27116	0.3
113.02454	2.4
117.03503	0.4
117.05573	0.4
119.05026	88.1
120.05373	3.1
143.03500	2.6
145.02982	0.5
149.04559	1.8
153.14806	0.3
161.04555	9.8
162.04852	0.3
163.04005	100.0
164.04349	4.8
168.31650	0.3
214.88777	0.3
215.27676	0.3
245.70993	0.3
265.05450	0.3
293.08774	5.2
325.09259	9.5
326.09515	0.7
439.10788	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	439.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.9
59.01389	3.0
60.39201	0.4
61.98837	1.4
69.03460	0.6
69.16370	0.7
69.16723	5.0
71.01380	1.9
73.02955	0.5
79.55486	0.4
85.02965	1.0
85.87591	0.5
87.00881	0.7
89.02449	0.9
93.03474	0.7
96.96009	0.6
99.00896	0.7
101.02452	1.5
101.06088	2.0
108.56170	0.5
113.02463	2.6
119.05029	86.9
120.05374	2.7
123.04523	0.6
125.02449	0.8
143.03499	0.8
145.02956	0.6
149.04587	0.8
161.04568	4.3
163.04013	100.0
163.69318	0.6
164.04350	4.3
173.04478	1.2
191.05612	1.7
213.05594	0.6
239.09196	1.7
239.12871	2.8
241.05066	5.0
241.14452	1.3
242.05586	0.5
287.01920	1.5
293.08762	1.5
307.17648	1.0
315.37607	0.5
325.09320	1.0
403.10434	0.6
439.06842	1.2
439.21957	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44329	0.2
79.95737	7.1
93.03403	0.2
96.96010	100.0
98.95606	1.0
98.96445	0.3
110.97591	0.5
114.06413	0.2
119.05042	0.3
121.02944	0.3
137.02431	0.6
162.03253	0.2
163.04015	0.3
224.88148	0.2
236.35701	0.2
247.09607	0.4
269.08182	1.6
273.56870	0.3
299.09286	1.2
305.10229	0.2
306.49625	0.2
314.11636	1.7
315.12018	0.5
329.13885	0.3
395.13455	0.3
437.22723	0.3
439.10638	44.3
440.10977	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.0
59.01378	4.6
67.21174	0.6
69.41135	4.6
71.01374	1.6
72.75974	0.6
78.63110	0.5
79.95738	30.7
80.96520	0.7
85.02955	0.8
87.00881	1.2
89.02415	0.6
93.03474	1.4
95.95191	1.0
96.96015	100.0
97.95941	0.8
98.19923	1.0
103.00378	1.2
108.75504	0.6
110.54288	0.7
110.97598	1.1
111.00864	1.4
111.97128	0.6
113.02431	1.4
119.04975	3.2
125.02412	1.2
127.27372	0.6
137.02472	0.9
141.95798	2.5
160.05309	0.9
161.04572	1.7
163.03973	4.0
164.01060	0.8
167.00177	1.5
169.01398	1.1
173.04539	1.1
175.07603	0.8
191.05605	2.4
192.62410	0.5
203.20012	0.6
219.02824	0.8
241.04774	0.6
285.04095	1.8
293.08774	0.8
313.10745	1.2
329.13922	1.3
403.19580	1.9
424.08493	2.1
439.10696	80.6
440.11029	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	439.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
61.14980	0.3
61.92070	0.3
79.79623	0.3
79.95737	55.7
80.18771	0.3
80.96516	0.8
91.28632	0.3
95.94604	0.5
95.95234	14.5
96.96011	100.0
97.95975	0.3
98.19774	0.6
101.06002	0.3
108.02159	0.8
109.02911	0.4
109.96797	0.8
110.97580	5.6
114.96044	0.3
119.05007	0.4
133.96503	0.3
137.02443	2.4
141.95793	1.9
149.99922	1.4
150.03215	0.4
152.62500	0.3
159.04478	0.5
160.05301	0.5
163.03970	0.7
164.98601	0.4
175.07686	0.6
177.05580	0.8
178.06345	0.4
229.19113	0.4
234.64447	0.3
259.02750	2.5
301.03964	0.3
305.92239	0.3
315.05487	0.9
329.13950	0.9
424.08215	3.0
425.08490	0.4
439.10651	73.3
440.10962	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	439.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99180	0.2
59.01373	0.4
61.98816	0.4
66.09037	0.2
68.52383	0.2
69.70146	0.6
69.70554	0.5
79.69356	0.2
79.95735	7.2
88.98799	0.4
96.96011	100.0
97.95956	0.3
98.20692	0.2
98.95590	0.9
110.97580	0.5
119.05022	0.5
121.02978	0.4
132.82378	0.2
136.01665	0.3
137.02422	0.5
151.04019	0.3
163.04024	0.9
223.09795	0.3
247.09685	0.7
251.07069	0.3
269.08121	1.8
299.09271	1.0
305.10422	0.6
314.11584	2.0
315.12012	0.4
329.13947	0.3
374.13068	0.2
395.13382	0.6
424.08582	0.3
439.10666	38.4
440.10965	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	438.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30944	0.4
59.01375	3.2
60.01705	0.5
61.01809	0.8
61.98829	100.0
71.00514	0.9
95.60911	0.4
108.25470	0.4
182.92683	0.4
241.72485	0.4
311.22443	0.4
356.31219	0.3
447.29944	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.2
64.69451	0.2
70.32110	0.2
70.32447	0.9
78.11599	0.3
78.95905	9.1
79.95744	2.3
91.45848	0.3
95.45957	0.2
96.96013	100.0
96.96934	20.1
97.95915	0.4
119.20634	0.2
120.90776	0.2
133.01390	0.4
149.62195	0.3
232.55466	0.2
439.08582	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29089	0.3
59.01385	0.4
60.61189	0.3
69.22893	1.6
69.23327	1.7
71.01408	0.8
77.32275	0.4
78.95905	16.9
79.95746	1.5
81.08995	0.4
96.96012	100.0
96.96964	34.0
98.19941	0.7
112.98830	0.7
116.06339	0.4
150.11284	0.4
168.13107	0.4
341.11136	0.5
439.08578	1.2
447.13751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	11.7
62.95409	1.7
70.70321	5.1
71.01382	17.5
72.99303	5.8
74.44912	1.6
78.95918	3.0
85.02958	3.2
87.00883	3.0
87.67125	1.7
89.02458	5.4
96.96014	49.9
96.96973	6.7
98.20565	2.1
106.31865	2.0
112.80187	1.9
113.24268	2.0
115.00381	44.4
123.13580	1.6
125.02441	11.0
131.03455	2.8
133.01431	100.0
133.05038	9.3
137.02429	4.6
165.01912	3.9
179.03502	2.5
182.70879	1.9
195.06656	2.0
199.22420	1.8
278.57697	1.7
305.06631	9.4
325.57663	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	437.2542
Annotation	ent-13S-Hydroxy-14R,15-diacetoxy-1(10)-halimen-18-oic acid
Peak:m/z	Relative Intensity
56.43902	0.4
59.01380	100.0
60.01714	1.3
61.98828	4.1
69.16744	1.4
69.17152	3.7
98.19746	0.9
114.11386	0.5
137.71080	0.5
137.92343	0.5
190.66037	0.5
250.32892	0.5
309.05743	0.5
335.22571	1.2
401.98090	0.6
413.53833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78319	3.4
56.90552	3.3
61.98832	100.0
69.29713	11.6
69.30138	19.5
98.20738	4.1
107.93015	3.8
184.23064	3.6
207.47144	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	438.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41324	0.2
53.63350	0.2
57.03452	0.3
59.01377	3.4
60.01684	0.3
61.98831	100.0
63.38576	0.2
69.57967	0.8
69.58390	0.8
71.01387	0.3
82.09655	0.2
106.64580	0.2
111.08148	0.3
119.04987	0.4
167.78386	0.3
188.33635	0.3
218.05626	0.3
248.10358	0.4
257.08258	0.5
258.08698	0.7
276.09634	1.1
292.11911	0.5
438.14926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	20.4
60.01703	3.7
61.01804	2.6
61.98830	100.0
83.11674	1.2
84.80330	1.1
98.20663	3.7
118.57930	1.2
210.35143	1.3
274.67026	1.5
352.10300	1.2
421.02841	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	437.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47855	5.4
59.01385	66.3
61.98828	100.0
66.60347	4.2
69.30798	30.2
69.31204	9.3
71.01380	15.8
76.16755	4.2
85.02963	5.8
101.02425	8.5
113.02481	5.6
152.28944	4.7
158.84532	4.9
159.01173	5.7
219.17729	5.4
276.46222	5.4
301.41687	5.6
305.19455	5.4
374.26291	8.4
437.23288	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32823	3.1
55.46671	2.9
59.01379	59.8
59.27729	3.2
61.98824	19.5
69.27771	7.2
69.28168	20.9
71.01395	4.6
71.04988	5.6
73.02962	3.8
76.50398	3.3
83.87355	3.0
85.02946	6.6
92.97060	3.4
98.19903	6.3
133.83633	3.5
161.04565	4.1
222.29486	3.4
237.11444	5.9
371.40485	3.4
428.66617	3.5
437.23102	100.0
438.23441	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	437.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71959	0.6
55.01871	0.8
57.03453	1.0
58.00584	2.1
59.01381	55.8
63.02895	0.6
69.61519	2.2
69.61945	1.4
70.96685	0.6
71.01380	30.2
72.99301	2.5
73.02948	1.2
76.08226	0.5
83.01382	1.8
85.02949	5.8
86.65953	0.5
87.00860	1.3
87.04515	2.6
89.02448	35.4
93.03512	0.6
95.01393	1.9
98.20618	1.3
101.02443	19.9
107.05002	1.0
113.02449	14.0
119.03506	15.5
125.02443	3.3
131.03467	4.0
143.03479	2.2
147.10556	0.6
149.04562	1.2
161.04565	1.6
179.05603	2.1
303.05145	0.7
323.13455	100.0
324.13812	7.5
401.14282	2.6
437.10809	1.6
437.16458	11.4
438.16748	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1817
Annotation	Phlebotrichin
Peak:m/z	Relative Intensity
55.01869	1.4
57.03452	8.2
59.01380	31.9
61.98831	75.5
63.60767	1.0
67.76736	1.2
69.03458	10.3
71.01382	32.9
71.04982	2.3
71.53787	1.8
72.01751	1.0
73.02950	9.2
78.95899	1.6
79.95730	2.4
81.03438	1.8
83.01379	3.8
85.02951	20.6
85.45727	1.0
87.00864	2.9
87.89684	0.9
89.02450	3.0
93.03469	2.1
95.01394	10.6
96.96011	97.1
97.02944	1.4
99.00889	3.8
101.02443	22.5
101.06059	1.2
103.00340	1.0
107.05035	1.3
108.02174	39.7
108.02917	2.1
109.02953	92.4
110.03261	2.4
111.08164	2.1
113.02459	14.9
113.06058	1.7
121.02979	1.4
123.00903	9.1
125.02448	2.9
129.01947	1.1
134.25644	0.9
135.04523	1.7
136.49265	0.8
137.02412	1.1
139.11287	30.3
140.11649	1.6
143.03470	2.3
143.45604	1.1
151.04034	1.7
152.74002	0.9
159.02946	3.6
161.04564	38.8
163.03966	1.3
168.00670	1.2
171.00623	1.2
173.04541	3.0
179.03522	1.7
183.10255	100.0
184.10619	4.8
253.07085	1.7
271.08270	4.1
275.08658	1.0
275.11337	5.7
284.90738	1.0
333.43588	1.0
377.29028	1.8
437.09000	17.0
437.13803	1.5
438.09460	1.4
459.65848	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91145	3.4
55.17789	2.7
57.03452	6.9
59.01375	32.3
61.98819	10.9
71.01401	15.1
71.52341	2.8
71.52769	3.2
76.38766	2.8
79.22217	2.6
85.02936	5.9
88.98810	4.4
89.02450	11.3
97.06628	6.6
98.95570	3.3
99.00850	3.9
101.02431	9.9
113.02441	4.5
115.92078	13.8
116.92892	6.4
118.98090	2.8
119.03502	3.6
125.02451	11.6
131.03464	3.6
143.03534	2.7
143.18597	3.1
145.02954	8.0
149.02483	3.4
149.06050	4.0
159.06602	7.8
161.04546	12.5
163.07683	6.7
179.05659	8.5
203.10750	18.8
210.96988	3.7
221.11818	52.3
222.11980	3.7
228.98030	6.8
231.06705	4.9
275.09302	6.0
291.11005	3.4
320.96838	3.0
375.01791	3.6
383.16864	4.9
401.18289	9.8
407.00827	3.2
422.41623	3.2
437.15762	100.0
438.16254	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	437.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85865	0.9
54.82743	0.9
57.03451	1.2
57.59681	0.9
59.01379	100.0
60.01722	1.2
60.45373	1.0
61.98824	6.4
69.22201	7.0
69.22615	2.2
71.01384	12.1
73.02942	4.4
76.95321	0.9
81.24068	1.0
83.01398	1.9
85.02948	3.9
89.02439	4.0
99.00877	1.6
101.02440	9.5
110.60567	0.9
110.79425	1.0
111.80124	1.2
113.02461	6.4
119.03494	1.1
121.62364	0.9
130.67061	1.0
161.04532	3.7
178.76949	1.2
219.76189	1.0
245.06801	0.9
305.19635	1.6
315.18051	8.6
357.19260	1.6
437.23618	3.6
463.26205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1455
Annotation	sec-o-Glucosylhamaudol
Peak:m/z	Relative Intensity
52.75279	0.7
59.01379	46.1
61.98830	1.8
65.57875	0.6
66.34904	0.6
70.66515	1.5
70.66876	1.3
71.01382	5.1
73.02948	1.3
75.00868	0.8
85.02963	1.4
87.00879	1.1
89.02438	1.6
91.69867	0.7
93.03465	3.6
96.96010	11.4
101.02445	2.2
103.00376	0.8
105.03471	1.7
119.05052	1.2
121.02954	1.1
123.08177	1.1
124.01643	0.9
125.02463	1.7
125.06078	1.0
135.02995	1.3
137.02444	1.2
139.03972	1.4
143.05026	17.4
143.06105	1.3
144.05396	1.5
149.02484	3.7
159.03004	0.8
161.02444	1.4
163.03972	3.9
165.01878	1.3
168.00645	2.3
173.04535	1.8
175.03975	0.9
177.02010	0.9
202.06403	0.7
216.00533	0.8
217.05042	22.9
218.05827	29.5
219.06300	2.1
232.07347	1.5
233.08170	4.7
245.08115	1.3
247.09741	57.2
248.10098	3.0
257.08292	3.7
259.09705	0.9
271.09714	1.2
273.07443	2.1
275.09244	100.0
276.09589	7.5
287.09253	8.6
305.10300	3.0
317.10339	1.2
377.12445	11.7
395.13824	1.0
395.19135	1.8
437.09341	4.9
437.14468	70.6
438.14801	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	437.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	0.6
69.79395	3.5
87.04513	47.6
96.96012	3.7
98.95589	0.6
109.02935	1.1
111.04498	0.6
113.02442	3.4
115.92044	1.0
125.02454	7.4
131.03502	100.0
132.03830	2.0
137.02470	1.4
139.03983	1.3
164.01122	0.9
165.01923	0.8
167.03493	0.9
169.82294	0.7
179.03427	1.6
198.25659	0.6
219.06564	0.9
305.06677	8.6
306.07208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.8
59.01375	7.0
61.98818	1.7
64.14111	1.2
71.01373	3.3
71.52260	1.8
72.99310	1.2
73.02966	1.3
75.00906	1.0
82.95411	2.8
83.01356	1.2
83.23988	0.9
84.51662	1.0
85.02950	2.6
86.60656	1.0
87.00883	1.8
88.04028	1.5
89.02458	2.2
95.01338	1.1
96.96017	31.3
97.02965	1.1
98.95601	19.5
98.96352	2.3
99.92586	26.4
100.90556	1.0
100.92696	1.7
100.93368	8.1
101.02462	2.5
108.02188	6.0
113.02458	1.7
115.92078	100.0
116.92086	3.7
116.92851	21.9
117.03432	6.5
117.92822	0.9
119.05026	33.7
120.05397	1.6
121.02979	1.6
123.00888	7.3
125.02441	5.6
127.78677	1.0
132.03006	2.8
132.92300	1.1
134.03746	3.3
135.04546	1.3
142.94429	1.2
145.02951	9.8
157.01305	1.1
159.06662	1.8
163.04015	19.4
168.95958	6.2
173.04547	1.8
191.05664	1.3
192.95915	2.1
206.93839	3.9
207.94711	9.1
210.72182	0.9
210.97026	20.8
215.95120	1.3
217.96825	1.5
218.97519	2.3
224.95001	2.5
228.98050	5.3
234.96973	3.7
246.96945	1.9
262.96466	4.4
275.05536	2.6
278.95880	1.6
288.14212	1.1
291.08716	4.1
305.12317	2.9
305.15839	1.2
326.99545	1.4
357.00705	86.0
358.00931	14.0
407.00906	1.1
437.16696	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	436.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
57.03455	12.5
57.10921	1.4
59.01379	72.4
60.38120	1.3
61.98810	4.7
65.00323	3.0
68.45931	1.4
71.01382	19.5
71.52430	1.8
72.99310	2.3
73.02937	2.9
75.00890	1.6
81.03437	2.8
83.01386	5.1
85.02940	9.5
87.00882	3.1
87.04505	2.2
88.98823	1.7
89.02440	19.4
93.03489	3.2
95.01391	6.6
96.96021	2.0
99.04525	1.5
101.02432	13.1
103.00348	1.7
103.08241	1.4
107.01382	4.1
108.52513	1.5
111.00883	3.8
113.02465	8.7
115.92078	1.5
119.03509	7.4
119.04967	2.0
123.00891	3.0
124.01707	10.8
125.02448	100.0
126.02789	3.1
137.02452	4.7
139.00287	1.8
150.40579	1.6
151.00380	27.5
151.99992	2.1
152.01152	31.6
153.00145	3.4
154.00977	7.2
161.04547	2.8
163.03946	2.1
165.01895	6.0
166.02739	3.1
167.98929	2.5
171.10208	1.7
173.04539	2.5
178.99864	40.4
179.05605	2.6
179.98820	2.1
180.99719	2.2
182.00375	4.5
183.01143	2.5
185.99878	2.0
187.04021	2.0
191.01845	3.1
192.02278	1.5
197.02760	4.9
201.11369	9.8
206.00452	1.5
207.98317	4.9
209.11771	4.8
213.11342	2.0
214.11624	2.4
219.01169	1.8
220.01842	2.2
223.00667	10.4
225.14809	1.9
229.05032	3.3
230.00279	1.6
241.04779	1.6
245.02721	3.4
246.03508	1.7
247.00684	4.7
248.01410	7.4
255.02835	1.7
260.43030	1.5
263.03854	4.7
272.01340	2.5
283.02322	2.6
287.03683	2.3
290.02536	16.1
297.03854	1.7
299.10687	1.6
303.05127	2.6
305.04865	12.0
305.16074	7.9
306.02200	4.1
316.00403	15.1
321.04401	7.9
322.12292	2.3
323.13452	58.7
331.02802	40.4
332.03101	3.5
335.35635	1.8
341.10910	5.4
349.03833	79.8
350.04169	7.1
361.14343	3.2
387.12042	1.8
408.07553	2.2
418.05939	14.5
436.07062	47.1
436.19385	2.4
437.07300	4.0
437.15128	9.3
437.20316	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	435.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48907	0.4
57.03452	0.8
59.01380	100.0
60.01707	1.2
61.98837	1.2
66.82626	0.4
69.98491	0.4
71.01379	4.9
71.53546	0.4
71.79108	0.4
73.02956	1.7
75.00878	0.5
83.01386	0.8
85.02953	2.8
87.00879	0.8
89.02438	2.2
93.03484	1.9
97.02950	0.4
99.00913	1.2
101.02449	3.5
103.00423	0.7
113.02460	2.6
119.03531	1.0
119.05061	1.5
121.03017	0.4
129.01982	0.6
131.03513	0.4
137.02457	1.2
139.04022	2.8
145.02899	0.5
152.01193	0.4
159.03033	0.5
161.02502	0.4
161.04512	2.5
163.04063	1.7
164.01228	0.5
165.01913	2.4
169.05066	3.4
173.04581	1.6
179.03546	0.8
180.04317	1.3
181.81512	0.3
195.06583	1.9
210.05266	0.5
212.29849	0.4
221.62277	0.4
225.07716	1.6
271.19229	0.6
279.08524	0.4
300.17511	0.4
303.04190	0.5
368.67355	0.4
369.17307	0.6
375.23868	9.3
375.28363	0.5
376.24368	1.2
387.14459	0.7
419.23093	0.6
434.68997	1.0
435.13391	0.9
435.19675	1.7
435.26001	1.7
435.30756	0.7
435.69980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48907	0.4
57.03452	0.8
59.01380	100.0
60.01707	1.2
61.98837	1.2
66.82626	0.4
69.98491	0.4
71.01379	4.9
71.53546	0.4
71.79108	0.4
73.02956	1.7
75.00878	0.5
83.01386	0.8
85.02953	2.8
87.00879	0.8
89.02438	2.2
93.03484	1.9
97.02950	0.4
99.00913	1.2
101.02449	3.5
103.00423	0.7
113.02460	2.6
119.03531	1.0
119.05061	1.5
121.03017	0.4
129.01982	0.6
131.03513	0.4
137.02457	1.2
139.04022	2.8
145.02899	0.5
152.01193	0.4
159.03033	0.5
161.02502	0.4
161.04512	2.5
163.04063	1.7
164.01228	0.5
165.01913	2.4
169.05066	3.4
173.04581	1.6
179.03546	0.8
180.04317	1.3
181.81512	0.3
195.06583	1.9
210.05266	0.5
212.29849	0.4
221.62277	0.4
225.07716	1.6
271.19229	0.6
279.08524	0.4
300.17511	0.4
303.04190	0.5
368.67355	0.4
369.17307	0.6
375.23868	9.3
375.28363	0.5
376.24368	1.2
387.14459	0.7
419.23093	0.6
434.68997	1.0
435.13391	0.9
435.19675	1.7
435.26001	1.7
435.30756	0.7
435.69980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01382	100.0
60.01724	0.9
61.42244	0.4
68.97837	0.4
70.53111	1.1
110.07130	0.3
153.09233	1.3
153.51144	0.4
255.17854	0.6
297.18765	0.7
315.19592	0.6
333.20709	11.1
333.24539	0.6
334.21155	1.0
340.60092	0.4
342.72937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32053	0.4
59.01380	100.0
60.01713	1.1
63.23815	0.4
66.93828	0.4
67.03394	0.4
70.16522	0.4
70.82023	1.0
71.01392	1.8
80.85504	0.4
83.05024	0.7
95.94407	0.3
101.17686	0.4
133.06636	0.5
206.53067	0.5
279.17587	1.1
284.72116	0.4
292.31833	0.5
297.18878	0.7
315.19470	2.3
420.34845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51318	0.5
59.01381	100.0
60.01722	1.4
61.12061	0.5
61.98832	17.2
70.76943	0.4
85.02930	0.6
98.19914	1.0
125.02475	0.7
139.07672	1.5
163.44293	0.5
166.88858	0.5
180.17410	0.5
197.30441	0.5
235.07608	1.2
435.18378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.03302	0.7
61.98832	1.9
64.95190	0.7
65.88444	0.8
70.63557	1.3
70.63911	2.2
74.80104	0.7
78.18399	0.8
83.54874	0.8
98.33170	0.9
115.17225	0.9
137.61299	0.8
315.19519	1.5
367.60773	1.0
456.85846	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
59.01379	51.4
61.98823	2.6
64.60709	0.6
69.32555	4.3
71.01389	3.2
73.02929	1.1
85.02943	1.7
85.92457	0.5
89.02453	1.7
95.01384	0.6
96.96058	0.8
98.20692	1.1
101.02447	2.3
113.02457	5.3
115.42811	0.5
117.22365	0.5
119.03479	1.3
161.04572	1.3
183.12390	0.9
183.13908	8.4
195.13905	7.9
213.14952	100.0
214.15263	5.1
227.16618	0.8
255.16031	1.4
271.69315	0.6
435.21521	1.3
435.26694	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01716	0.6
61.98830	0.6
70.52793	0.7
70.53129	1.2
70.91095	0.5
71.01379	1.5
83.05054	0.5
207.04620	0.5
228.18149	0.5
254.72258	0.6
261.16635	0.6
279.17712	1.7
297.18658	1.0
302.26312	0.5
312.29285	0.6
315.19656	3.6
316.20044	0.7
317.21832	0.6
333.20642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54126	0.6
59.01380	100.0
70.79030	0.7
71.00536	0.8
71.00862	1.0
220.95403	0.7
333.20923	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.4
59.01071	1.7
59.01378	35.2
61.98831	100.0
62.98543	1.3
64.48381	1.0
69.63620	3.2
69.64040	3.6
71.01381	7.6
73.02938	1.6
83.01408	3.2
85.02971	5.1
87.00899	2.3
89.02442	4.1
93.03471	3.4
100.18031	1.2
101.02460	6.2
107.05038	8.0
108.02219	1.4
113.02446	2.3
114.05419	1.0
119.03474	2.0
119.05036	4.1
121.02980	5.5
122.03800	6.2
123.04528	4.3
124.01688	1.2
125.02449	9.5
126.02752	1.3
127.02917	1.3
137.02452	4.1
149.52458	1.0
149.99600	1.5
151.03976	1.6
152.01114	2.7
153.01959	2.4
153.05562	6.5
154.01477	3.4
154.02692	1.3
161.04515	2.4
162.98415	1.0
163.04005	2.3
167.03522	8.9
168.00645	2.1
168.03941	1.7
173.04510	2.9
179.03450	1.2
191.01872	1.6
209.08183	1.9
210.08556	2.6
229.08684	11.9
265.10852	1.4
267.11176	2.5
273.07675	16.2
273.20911	1.4
322.70261	1.2
348.11359	1.1
375.27356	3.5
435.13498	17.4
435.21234	5.4
435.26160	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	435.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98834	70.6
69.11794	5.9
69.42225	38.9
71.01376	16.6
71.78683	4.8
77.23095	5.7
85.02931	7.0
88.70332	5.3
93.03440	6.3
98.20606	12.6
101.02448	10.5
102.40087	4.9
107.30402	5.1
119.03403	5.4
119.04984	5.0
163.04051	8.3
173.04469	9.3
435.21558	74.5
436.21814	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	435.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26863	0.3
56.23701	0.3
57.03448	1.2
59.01379	100.0
60.01709	0.9
61.98832	3.2
62.49947	0.3
68.54903	0.3
69.86122	1.1
71.01384	2.2
71.97424	0.2
73.02963	0.7
80.17644	0.3
81.03468	0.4
83.05032	0.4
85.02956	1.1
87.00906	0.9
89.02448	2.6
93.03500	0.6
96.95999	0.5
97.06586	0.3
98.19875	0.3
101.02453	0.5
109.02945	0.4
111.04586	0.3
113.02464	0.4
123.04519	1.7
125.02490	0.8
125.06129	0.6
125.09749	1.2
127.07661	3.8
129.01970	0.3
131.03502	0.9
137.02490	0.3
149.04555	1.6
155.03616	0.3
157.08710	0.4
164.41414	0.3
167.03490	0.6
167.07060	0.3
169.01491	0.5
171.06680	1.0
173.04587	0.6
187.09760	1.3
191.02022	0.5
193.08727	0.5
201.11432	0.4
209.02847	0.3
225.11481	0.5
229.08768	0.5
243.12518	0.6
261.13452	1.0
285.13489	0.3
303.10968	1.3
303.14575	3.4
308.82016	0.3
354.34274	0.3
375.20355	1.0
435.13995	0.7
435.18408	1.0
435.22803	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82052	6.2
59.01381	93.9
61.98831	63.7
65.60390	7.6
69.42393	47.6
71.01380	14.2
85.02951	13.9
88.76193	7.3
97.02939	7.1
98.20695	13.1
101.02426	7.7
131.42159	6.5
173.04500	9.2
179.85916	6.4
342.40768	6.4
435.21478	100.0
436.21777	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	435.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79160	2.3
51.45987	2.3
54.92387	2.2
56.27531	2.4
59.01379	100.0
61.98817	8.4
80.98229	2.4
98.20678	6.1
101.02364	2.8
202.56410	2.4
268.43045	2.5
296.77103	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	435.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98820	5.5
65.99668	2.4
91.80128	2.6
98.20711	4.6
99.83099	2.5
99.87592	2.6
107.01229	2.1
113.60430	2.6
174.80757	2.5
269.63345	2.5
342.83701	2.6
435.21320	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	70.7
61.98819	32.7
65.20657	6.6
67.89253	6.2
70.48848	14.2
70.98152	6.5
71.01366	12.9
73.24806	6.0
79.83639	7.3
85.02927	8.5
90.00710	6.7
96.96006	100.0
98.19936	6.2
101.02451	7.5
101.06724	6.3
101.33527	6.2
113.02431	7.2
116.40911	6.4
130.66277	6.9
273.20776	10.2
435.07535	24.3
435.20956	34.7
435.26465	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	435.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.53330	5.9
61.98833	41.3
65.45439	6.1
67.51161	5.4
67.82865	6.0
70.39941	6.2
70.42903	21.4
71.01372	18.0
79.95743	30.8
80.96526	31.4
81.50363	5.9
85.44073	6.5
94.98074	7.4
100.00407	5.7
148.08875	6.0
149.04619	8.0
167.67581	6.0
168.97444	7.2
183.13857	9.3
337.65247	15.9
346.15244	6.1
346.65762	33.6
347.15515	10.0
362.14096	7.6
368.65271	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	435.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.1
59.01380	60.5
61.25473	3.0
61.98831	100.0
63.26777	3.3
65.65335	2.8
69.03502	3.8
69.55344	15.1
71.01395	8.1
81.03423	4.2
83.01394	5.1
85.02956	7.3
89.02412	7.6
89.79995	2.9
93.03460	8.8
93.30573	3.4
98.20656	3.3
101.02431	4.9
102.56935	3.1
107.05040	5.4
108.02203	3.1
113.02411	5.2
119.03570	4.2
119.05060	6.4
123.04510	16.2
125.02463	24.9
126.02782	5.8
127.02924	5.8
137.02463	6.1
149.02315	2.8
152.01138	5.0
153.05611	6.3
163.04016	3.7
167.02335	3.2
167.03516	29.3
168.00636	3.1
168.03937	3.7
191.03589	4.3
229.08670	9.6
230.21210	3.8
249.69554	3.2
265.10730	3.7
267.11423	3.7
273.07709	38.7
274.07889	3.9
275.52399	2.9
297.07599	6.3
435.13086	10.0
435.21445	18.3
435.26639	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	435.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	1.6
59.01397	2.4
61.98822	3.1
69.89711	2.0
69.90114	3.8
71.01376	4.3
73.68935	1.1
76.35311	1.1
83.01360	1.0
84.68282	0.9
85.02950	3.6
87.00871	4.4
89.02438	1.7
96.96014	18.8
101.02406	2.1
113.02462	1.5
115.56613	1.0
119.05024	1.9
121.02973	1.9
126.75994	1.0
129.01924	1.9
143.88246	0.9
145.02917	2.6
149.02431	28.7
150.03227	44.8
151.03615	1.2
158.52811	1.0
160.02948	0.9
161.02443	1.6
161.04541	4.2
162.03265	2.1
163.03999	4.6
164.04787	17.7
165.05563	100.0
166.05872	3.4
177.05577	2.2
180.04192	3.1
195.06627	34.4
196.07040	1.1
327.10873	29.5
328.11243	2.4
339.10709	2.1
357.11621	1.2
378.15350	1.3
388.99860	1.0
435.05939	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	435.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78069	0.8
55.01884	6.1
57.03442	2.7
59.01380	100.0
60.01703	1.8
61.98814	1.7
69.27365	7.0
71.01008	1.3
71.01383	14.4
72.99297	1.1
73.02946	7.6
75.00872	7.2
79.54039	0.8
83.01371	2.2
85.02946	10.0
87.00856	0.9
88.98791	2.1
89.02435	5.5
93.03465	1.5
99.00862	3.0
99.04496	2.5
101.02440	11.6
102.87341	0.7
106.46574	0.8
109.06611	1.0
111.00851	0.9
113.02448	6.4
115.04033	0.9
119.03519	1.0
119.05019	2.1
121.84747	0.8
125.02425	2.2
129.01923	2.8
131.03545	1.0
137.02441	1.7
143.03502	1.0
147.02994	6.4
154.48640	0.9
161.04547	4.4
163.03946	2.9
165.04063	5.6
165.12775	1.7
173.04482	2.3
185.11829	8.3
187.13356	0.9
191.02017	1.1
191.05525	0.9
206.49388	0.8
207.13855	3.0
209.11864	7.1
225.14871	5.0
227.12891	38.5
227.15166	1.9
228.13263	1.9
249.06088	0.9
251.12897	1.1
258.05255	2.8
261.11429	0.7
261.13504	7.7
269.13916	7.5
270.14285	1.2
273.07651	3.2
287.14999	87.5
288.15430	5.5
303.14352	1.0
349.18546	1.8
393.17688	9.6
417.17007	1.6
435.18607	84.1
436.18762	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	435.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41399	0.3
55.01889	0.3
57.03440	0.7
59.01379	11.3
61.98833	1.6
67.01900	0.4
69.03457	1.9
69.39055	2.0
71.01382	2.1
72.99309	0.3
73.02944	0.6
75.00891	0.6
79.01907	0.8
81.03459	0.9
83.01402	0.5
83.05000	0.3
85.02955	0.8
87.00892	0.8
89.02435	1.6
90.13036	0.3
93.03455	0.8
95.01398	0.9
96.96022	0.3
97.02949	1.5
98.19846	0.3
99.00912	0.4
99.53970	0.3
101.02448	1.7
107.01399	0.7
108.02209	0.3
109.02999	0.5
111.00906	0.5
113.02452	1.2
119.03535	0.8
119.05036	1.3
121.02954	12.0
122.03288	0.4
123.00865	2.1
123.04515	0.9
124.01662	4.5
125.02449	77.7
126.02782	2.2
136.07698	0.3
137.02452	0.9
139.00374	1.0
139.03926	0.3
145.02893	0.5
149.02507	0.3
150.03261	0.3
158.06148	0.6
161.04578	0.7
163.03981	1.5
165.01932	0.8
166.99873	1.2
167.03465	0.8
168.00633	8.8
169.01422	100.0
170.01738	2.9
173.04520	0.7
179.05571	0.5
185.11810	0.3
193.01428	0.6
211.02486	1.6
220.85493	0.3
255.16107	0.5
273.06912	0.4
287.15179	0.4
293.12341	0.3
297.55286	0.3
313.05624	3.6
357.19357	0.4
375.20505	0.4
393.17346	0.4
417.15469	0.3
435.09271	55.3
436.09589	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	435.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59669	0.3
57.03449	1.5
59.01377	4.4
61.98820	1.1
65.00333	0.9
66.71059	0.2
69.01378	0.2
69.03438	0.3
69.34171	1.7
71.01386	0.6
77.36724	0.2
81.03452	9.5
82.03806	0.2
83.01373	3.9
85.02962	0.3
89.02453	0.5
93.03454	7.1
95.01398	0.4
95.05033	0.4
96.80531	0.2
99.04511	0.4
101.02433	0.7
102.39209	0.2
107.01381	1.1
111.04455	0.3
113.02431	0.4
119.05025	9.8
120.05391	0.3
122.90824	0.2
123.04522	28.0
124.04869	1.0
125.02445	14.5
126.02760	0.4
135.04492	1.3
137.02444	0.5
138.77420	0.2
139.04047	0.2
145.09151	0.2
147.04497	0.3
149.02415	2.0
151.00359	2.5
152.01155	0.3
163.04016	0.7
165.05524	0.4
166.02681	0.5
167.03485	79.9
168.03824	2.8
179.03482	8.3
180.03781	0.3
187.07649	0.5
189.05579	1.7
191.03490	0.9
211.07660	0.4
229.08696	1.0
255.06686	0.8
273.07660	100.0
274.08026	7.1
288.75958	0.2
297.07532	0.5
304.30673	0.2
315.08984	0.2
375.27335	0.5
420.28525	0.2
435.13031	2.5
435.26038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51899	0.3
57.03436	0.3
59.01374	2.9
61.98829	0.8
69.03456	0.3
69.16258	3.0
71.01373	0.8
73.02976	0.4
74.02460	0.4
75.00862	1.0
79.95741	2.2
81.03452	0.4
83.01373	0.3
85.02947	1.0
87.00828	0.4
89.02457	1.0
93.03472	0.9
94.55923	0.2
96.96010	100.0
97.02914	0.3
97.93130	0.3
97.95947	0.6
98.19948	0.7
101.02444	0.5
111.00873	0.4
111.04518	0.4
113.02431	1.0
113.92624	1.8
119.03618	0.3
119.05037	4.3
123.04535	0.5
125.02448	1.2
127.07667	0.3
128.03517	1.1
137.02383	0.5
139.04053	0.3
143.03676	0.3
143.04599	1.6
149.02464	0.3
149.04553	0.3
151.03941	0.3
155.03607	0.4
163.04012	8.7
165.01970	0.3
166.72058	0.3
167.03448	0.9
173.04572	1.4
179.03387	0.4
191.05635	2.0
193.01363	0.4
223.02489	0.6
225.03976	0.3
226.98521	0.4
254.07878	0.3
261.13242	0.4
272.08823	0.4
273.07727	0.6
306.07684	2.1
337.09247	3.4
338.09927	0.4
345.06253	0.8
355.01154	0.8
375.16055	0.3
435.14270	0.4
435.19336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0937
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
55.01847	0.6
55.77177	0.5
57.03434	0.7
59.01112	0.8
59.01381	9.9
61.98830	17.5
65.00330	1.3
65.03946	0.8
65.32415	0.6
69.03451	2.9
69.44023	3.2
69.44437	0.8
71.01376	4.0
73.02946	0.8
79.01887	1.0
81.03449	1.6
83.01382	2.0
85.02952	2.0
89.02440	4.0
93.03448	2.4
95.01379	1.8
97.02966	3.5
98.19955	1.2
101.02425	3.5
107.01411	3.9
107.05023	1.6
108.02218	0.7
109.02946	4.9
111.30614	0.5
113.02416	1.9
119.03499	1.5
119.05018	4.0
120.05373	1.5
121.02949	7.7
123.00886	6.5
123.04523	2.8
124.01672	18.3
125.02449	56.9
126.02784	1.2
137.02411	2.4
145.02878	1.7
147.04454	0.6
149.02467	0.9
149.99586	31.7
151.00401	6.6
151.03998	16.4
152.00720	2.6
153.00867	1.9
161.02419	0.8
161.04527	1.4
163.03889	1.0
165.01927	0.7
167.03500	1.3
168.00644	58.9
169.01376	5.9
170.01707	0.6
177.01941	4.1
179.05585	1.1
185.05867	0.6
187.04068	1.0
189.01898	4.9
190.02626	1.5
191.03543	0.8
216.00601	1.2
217.01437	3.3
218.01996	0.6
219.02963	1.9
229.08586	0.8
254.93549	0.5
271.06088	4.8
272.06436	5.3
273.07016	9.5
273.20535	0.8
280.50858	0.5
281.04517	1.5
305.89728	0.7
313.05676	2.2
313.98752	1.0
341.06668	17.5
342.06793	1.6
362.81662	0.5
417.08109	4.1
435.09247	100.0
435.25400	2.8
436.09689	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	434.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01381	100.0
60.01714	11.0
61.01820	0.8
61.98832	39.5
63.02407	0.3
65.00311	0.4
71.01382	1.3
71.53577	0.4
73.02948	0.4
74.95007	0.3
83.01395	0.5
85.02945	0.7
89.02455	0.7
93.03443	0.8
95.02133	0.3
101.02424	1.0
107.01339	0.8
108.01655	0.3
117.92072	0.3
119.05016	2.2
120.05312	0.9
123.00840	0.6
123.04507	0.4
125.02446	0.6
137.02417	0.4
151.00374	3.0
152.00714	1.8
161.04364	0.3
167.03369	0.3
167.48885	0.3
177.01826	0.4
181.74037	0.3
271.06116	3.1
272.06473	6.9
292.42865	0.3
301.03091	0.5
332.17676	0.4
374.18417	0.4
375.26846	0.4
385.59882	0.3
434.11914	3.0
434.24335	0.4
435.11508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47352	0.2
59.01381	1.7
68.60139	0.2
69.38371	1.8
71.01377	0.5
79.95729	2.3
85.02963	0.4
87.00871	0.6
93.03449	1.3
96.96010	100.0
109.02961	0.5
111.00903	0.4
111.04539	0.3
112.46819	0.3
115.92039	0.2
119.05051	0.6
123.04527	1.3
137.02499	0.2
145.02966	0.3
146.54083	0.2
149.02411	0.9
151.04045	0.3
155.03506	0.3
163.04054	0.7
173.04543	4.3
187.09610	0.2
191.05627	0.6
201.11417	0.2
250.08055	0.2
251.35733	0.2
261.13278	0.2
273.07690	1.6
303.14539	0.4
337.09311	1.5
355.70718	0.2
409.27161	0.2
435.13297	0.5
435.18878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80704	0.2
57.03432	0.2
59.01379	2.4
61.98821	0.6
67.89967	0.2
68.10562	0.2
71.01390	0.7
71.53290	0.4
75.00867	0.3
79.95739	1.8
85.02948	0.6
89.02432	0.6
93.03455	0.4
94.98117	0.2
96.96010	100.0
97.93146	0.3
101.02425	0.3
103.23988	0.3
109.02924	0.3
111.04546	0.4
113.02459	0.5
113.92645	0.6
119.05034	2.8
123.04533	0.3
125.02445	0.3
127.07665	0.4
135.04510	0.2
149.02521	0.3
149.04567	0.2
157.01436	0.2
163.03998	4.0
173.04628	0.6
191.05609	2.2
191.33832	0.2
273.07721	0.5
302.34186	0.2
337.09286	2.6
353.08896	0.3
355.01361	0.6
435.05893	0.3
435.18936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.4
61.98819	0.6
69.32589	1.0
69.33003	0.9
86.41905	0.3
93.62717	0.2
110.26532	0.2
117.03461	16.3
119.05024	25.5
120.05355	0.7
121.02956	1.6
123.04501	0.5
145.02950	100.0
146.03291	4.0
163.04004	18.7
164.04373	0.8
208.83246	0.2
234.92935	0.3
269.21204	2.1
287.22284	8.5
288.22604	0.6
300.02737	0.5
331.14392	0.2
383.20648	0.3
415.24960	0.5
433.25912	47.6
434.26248	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	434.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95467	0.1
59.01382	0.3
61.98831	100.0
69.49608	0.5
69.50011	0.3
77.26461	0.1
81.03445	0.2
87.38620	0.1
125.02470	0.5
125.06106	0.2
151.04041	0.2
163.03944	0.1
165.09233	1.2
167.03496	0.2
209.08185	5.7
210.08565	0.3
273.07788	0.3
371.13416	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.0
61.98830	100.0
64.36459	0.3
69.32218	1.8
69.32633	0.6
71.01392	1.0
73.02940	0.4
81.03452	0.8
83.01381	0.6
85.02974	0.4
93.03492	0.5
101.02435	0.5
113.84799	0.3
119.04984	0.3
121.35053	0.3
123.08184	0.6
125.02451	1.8
125.06110	1.2
136.05301	0.5
151.00398	0.6
152.01181	0.5
165.09212	11.8
166.09547	0.8
167.03523	0.9
174.87305	0.3
179.07262	0.4
191.07138	0.5
209.08188	38.5
210.08563	1.9
211.13458	0.5
221.08208	0.4
223.09789	0.9
233.08177	11.5
234.08466	0.4
235.09824	1.4
236.10185	1.1
251.09227	4.2
252.09647	0.3
263.09256	1.2
301.03207	0.5
371.13449	25.4
372.13736	2.1
435.20895	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82845	0.3
59.01381	1.5
61.98829	1.0
71.52362	0.5
117.03472	15.7
119.05034	24.7
120.05354	1.0
121.02955	2.0
123.04579	0.4
133.02956	0.6
145.02959	100.0
146.03296	4.0
163.04016	19.4
164.04329	0.9
251.84547	0.4
255.02910	0.4
269.21194	1.8
271.02463	0.5
287.22250	7.4
288.22455	0.6
300.02701	1.1
371.18747	0.6
415.24701	0.6
417.87158	0.4
426.24936	0.4
433.07574	1.0
433.25928	39.3
434.26297	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	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79821	0.3
54.20935	0.3
56.50215	0.4
57.03462	1.2
59.01381	100.0
60.01719	1.5
61.98834	8.5
69.30741	2.9
69.65249	0.3
71.01382	7.3
72.48805	0.3
72.99309	0.5
73.02959	2.1
73.34081	0.3
83.01392	1.4
85.02943	2.6
87.00890	0.8
89.02448	4.4
97.77338	0.3
99.00905	1.2
101.02440	6.3
102.41557	0.3
106.11741	0.4
107.01447	0.4
113.02433	3.2
116.56181	0.3
119.03520	2.3
119.05034	1.0
125.02446	6.1
126.02812	0.6
131.03465	0.4
135.00900	1.3
135.04512	0.8
139.05351	0.4
143.03568	0.6
149.04538	0.5
151.00430	0.9
151.04057	0.3
153.01950	0.4
159.03082	0.7
161.04593	4.8
167.03529	3.2
179.05623	1.6
183.13922	1.1
215.14441	0.3
223.84145	0.4
233.08310	1.3
238.38585	0.4
253.05164	0.6
255.02989	0.9
265.10892	2.2
267.85901	0.4
271.02521	1.0
271.06094	1.8
289.11008	0.4
300.02844	1.9
301.03311	0.4
346.79352	0.4
373.22299	17.6
374.22559	1.8
433.07770	1.2
433.24466	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	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18278	0.5
51.18726	0.5
55.01878	0.6
57.03445	0.7
58.00593	0.7
59.01381	100.0
60.01725	0.6
61.98830	3.1
69.45487	1.5
69.45918	2.5
70.65409	0.5
71.01382	9.7
73.02962	2.0
78.47394	0.5
83.01398	1.1
85.02942	2.8
87.00904	0.6
89.02442	8.2
89.02950	0.8
95.01435	0.8
98.19865	0.9
99.00879	0.6
101.02451	7.4
113.02456	4.2
116.92879	1.0
119.03526	3.2
120.24846	0.5
125.02478	1.7
131.54869	0.5
143.03505	1.4
159.03065	0.6
161.04553	9.9
179.05653	0.7
207.10379	0.5
235.92041	0.5
243.03142	0.6
258.45255	0.6
300.02872	1.1
373.22314	29.8
374.22589	3.8
425.64148	0.6
433.08160	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
57.03450	1.6
59.01379	100.0
60.01717	0.9
61.98848	0.2
65.00339	0.3
69.03474	0.2
71.01381	6.3
71.05029	0.2
71.53475	0.2
72.68832	0.2
72.99290	0.3
73.02949	1.1
81.03464	0.5
83.01398	1.1
85.02947	1.6
87.00886	0.7
89.02445	5.1
93.03470	0.3
95.01389	0.5
95.05026	0.3
97.02947	0.4
99.00898	0.4
99.04514	0.4
101.02441	3.3
107.01385	0.4
107.05019	0.2
108.02246	0.2
109.02986	0.4
113.02459	2.1
119.03519	1.6
119.04990	0.5
121.02943	0.4
123.04559	0.2
124.01627	0.3
125.02441	5.6
131.03482	0.3
137.02435	2.6
138.03242	0.4
139.04082	0.3
143.03560	0.3
147.04497	0.2
148.01653	0.4
149.02443	0.5
149.04524	0.4
151.00345	1.0
151.03999	0.2
161.02444	0.2
161.04538	1.3
163.00377	0.3
163.04037	0.5
166.02646	0.2
167.03499	2.8
168.03741	0.2
175.23183	0.2
178.99895	0.5
179.05576	1.6
185.05997	0.3
189.05544	0.3
193.08757	0.2
195.06595	0.2
201.09120	0.3
203.07152	0.2
227.03488	0.4
227.07133	0.7
229.08711	0.3
243.02951	1.5
253.04965	0.4
254.02243	0.4
255.02989	3.6
263.09250	0.7
271.02472	8.8
271.05942	0.9
271.19095	0.5
272.02951	0.9
273.07550	0.2
283.09592	0.2
287.15192	0.4
299.05505	0.2
300.02740	15.5
301.03406	4.5
302.03696	0.3
319.13773	0.2
327.08792	0.5
331.17548	0.3
339.12494	0.3
343.20795	0.2
357.13419	1.1
373.18585	0.7
383.11353	0.3
390.81119	0.2
401.12448	4.4
402.12714	0.4
433.07681	9.6
433.14755	0.5
433.24442	4.3
434.08157	1.3
434.24829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2229
Annotation	Maoesin E
Peak:m/z	Relative Intensity
57.23058	0.4
59.01379	100.0
60.01725	0.9
61.98822	1.8
71.16400	0.8
73.43185	0.4
83.05060	0.4
84.82116	0.5
116.92879	0.6
137.06023	0.6
163.07704	0.8
164.35767	0.5
177.56865	0.4
205.43382	0.4
217.08626	0.5
295.17279	0.5
300.02927	0.9
301.17957	2.4
313.18280	1.4
315.15891	0.9
327.19986	0.5
331.19107	12.1
332.19449	1.3
373.20505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91761	0.9
59.01381	100.0
59.27579	0.9
60.01702	1.4
61.75367	0.9
61.98819	4.7
71.51769	1.4
83.05016	1.5
94.93485	1.3
115.99957	1.0
119.05022	2.8
123.04486	1.7
145.02966	12.1
147.49376	1.1
147.89044	1.0
149.06050	9.8
163.03966	2.8
163.11285	4.7
231.77681	1.1
240.76936	1.2
271.02441	2.6
300.02728	4.4
313.18179	13.4
315.15891	1.9
331.19168	23.3
332.19562	2.1
373.19940	1.2
433.07684	2.6
433.25684	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	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19954	0.3
57.03446	0.9
58.25574	0.3
59.01381	100.0
60.01706	1.0
69.52962	1.7
71.01382	4.6
73.02965	0.4
79.00651	0.3
83.01398	0.6
85.02975	1.2
89.02443	4.5
95.01382	0.4
97.13145	0.3
99.04528	0.4
101.02443	2.5
101.97081	0.3
113.02435	1.9
119.03506	1.8
121.03011	0.3
123.04494	0.4
125.02455	2.6
129.56238	0.3
131.03548	0.5
137.02481	1.2
137.11961	0.3
138.03261	0.5
143.03563	0.4
149.02483	0.4
151.00366	0.8
161.04605	0.9
163.03996	0.6
167.03554	1.1
179.05675	1.2
188.16026	0.3
215.03662	0.3
227.03606	0.4
230.00072	0.3
243.03046	1.2
255.02956	2.8
262.96750	0.3
271.02469	6.4
272.03012	0.5
283.09863	0.4
300.02731	11.2
300.06055	0.6
301.03317	3.3
357.13559	0.5
373.18817	0.3
401.12375	1.6
433.07721	7.2
433.14948	0.5
433.24438	2.3
434.07968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	61.8
59.04109	0.2
60.01707	0.7
61.98830	100.0
63.02399	2.9
65.00321	7.9
67.01891	0.3
71.01393	1.7
71.30013	0.4
71.30360	0.3
73.02951	0.6
81.03445	0.5
83.01385	6.3
85.02975	0.3
89.02448	1.0
93.03468	4.3
94.01116	0.3
101.02457	1.0
107.01389	14.9
109.02953	0.4
109.50191	0.3
113.02427	0.9
117.03471	1.1
119.05027	29.7
120.05376	1.1
121.02950	0.4
125.02449	3.7
125.06154	0.3
137.02481	0.6
143.05000	0.9
145.02946	4.0
151.00366	53.4
152.00677	1.9
157.06587	0.4
161.04570	0.2
161.06068	0.9
163.03941	0.4
164.01094	0.5
165.01907	5.2
165.09215	1.2
166.02296	0.3
167.03505	0.4
169.01424	2.2
175.65544	0.3
177.01924	4.2
179.05589	0.3
185.06088	2.3
187.04002	2.8
193.01393	0.6
203.07176	0.4
209.06209	0.4
209.08203	6.5
227.07126	2.7
241.71606	0.3
251.09158	0.4
253.05121	0.8
269.04419	0.3
271.06113	83.0
272.06451	5.1
300.02798	0.6
301.03568	0.3
313.05450	3.6
314.06516	0.3
326.39795	0.2
371.13367	1.4
387.13321	0.3
433.11389	9.9
434.11633	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	61.8
59.04109	0.2
60.01707	0.7
61.98830	100.0
63.02399	2.9
65.00321	7.9
67.01891	0.3
71.01393	1.7
71.30013	0.4
71.30360	0.3
73.02951	0.6
81.03445	0.5
83.01385	6.3
85.02975	0.3
89.02448	1.0
93.03468	4.3
94.01116	0.3
101.02457	1.0
107.01389	14.9
109.02953	0.4
109.50191	0.3
113.02427	0.9
117.03471	1.1
119.05027	29.7
120.05376	1.1
121.02950	0.4
125.02449	3.7
125.06154	0.3
137.02481	0.6
143.05000	0.9
145.02946	4.0
151.00366	53.4
152.00677	1.9
157.06587	0.4
161.04570	0.2
161.06068	0.9
163.03941	0.4
164.01094	0.5
165.01907	5.2
165.09215	1.2
166.02296	0.3
167.03505	0.4
169.01424	2.2
175.65544	0.3
177.01924	4.2
179.05589	0.3
185.06088	2.3
187.04002	2.8
193.01393	0.6
203.07176	0.4
209.06209	0.4
209.08203	6.5
227.07126	2.7
241.71606	0.3
251.09158	0.4
253.05121	0.8
269.04419	0.3
271.06113	83.0
272.06451	5.1
300.02798	0.6
301.03568	0.3
313.05450	3.6
314.06516	0.3
326.39795	0.2
371.13367	1.4
387.13321	0.3
433.11389	9.9
434.11633	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.8
58.07964	1.4
59.01108	2.3
59.01378	29.0
61.98831	55.8
67.46729	1.3
71.01385	10.8
71.53744	1.7
71.73455	1.3
72.99319	1.7
73.02939	2.8
73.85024	1.2
74.40867	1.5
75.00878	1.3
80.05058	4.3
80.20937	1.3
80.32493	1.4
81.02242	1.3
85.02950	4.1
87.00906	2.4
89.02447	12.3
93.03453	1.4
94.06614	7.7
94.53201	1.4
96.08192	3.0
96.62615	1.6
97.01684	3.3
101.02431	5.3
103.00360	2.3
104.05038	2.1
106.06589	2.7
108.04574	2.2
109.02923	2.1
109.05276	1.6
113.02375	3.6
119.03515	2.8
119.05050	1.9
120.04562	6.3
121.05359	2.7
122.06121	26.0
123.06960	1.7
124.07685	31.2
125.02428	5.8
136.04042	10.8
138.05577	2.8
140.07199	3.3
148.04047	62.6
149.04488	2.7
150.05606	19.5
161.04517	3.6
166.05063	16.3
168.06651	7.4
178.41954	1.4
179.05513	3.0
194.04512	4.9
197.06007	2.9
210.04041	4.3
215.08159	2.0
231.11404	7.8
240.04272	16.8
241.04948	3.9
241.09654	1.5
243.11310	3.2
245.13025	1.9
255.02876	1.8
255.06636	33.8
255.11282	2.4
256.07318	7.2
271.02359	3.9
271.09753	93.3
272.10123	7.8
273.12463	34.7
274.12805	2.0
291.13504	34.5
292.13748	3.1
300.02847	10.3
301.03531	3.0
317.11389	12.2
334.11551	2.9
335.12479	100.0
336.12930	8.4
339.18649	1.4
371.24316	9.9
371.60992	1.4
389.20700	7.0
433.07660	3.3
433.14682	1.2
433.19730	23.1
434.19687	1.8
452.92496	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.3
59.01379	3.5
61.98831	1.0
69.03459	0.3
69.38293	1.9
71.01375	1.5
73.02953	0.9
87.00848	0.6
89.02447	4.1
91.04018	0.7
97.06642	0.4
101.02440	0.4
106.44673	0.3
111.08130	0.2
125.02437	0.7
131.03502	1.0
136.01671	0.4
147.02962	0.5
149.04561	12.0
150.04895	0.5
165.12834	4.7
166.13060	0.3
183.13892	100.0
184.14226	4.5
209.11830	2.5
227.12883	5.0
228.13042	0.4
233.08179	1.9
255.03271	0.3
267.39328	0.2
271.02435	0.4
271.09750	3.0
299.61862	0.3
300.02765	0.6
301.16553	41.6
302.16946	2.6
395.13474	1.5
433.07889	0.4
433.20566	5.1
433.25659	0.4
434.21191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75410	0.8
57.02256	0.8
57.03451	5.8
59.01377	100.0
61.98824	5.3
65.00318	1.0
71.01390	4.7
71.53738	1.6
73.02943	1.7
81.03434	2.5
83.01402	2.7
85.02940	2.5
89.02436	2.4
93.03454	2.5
95.05019	2.3
96.96010	1.1
97.02979	1.5
97.06557	2.1
99.04507	1.6
101.02426	4.1
107.01379	1.7
109.02943	1.5
113.02438	1.5
113.06077	1.5
119.03444	0.9
119.04997	3.2
121.02931	3.3
122.03763	1.1
122.52811	0.9
123.04535	5.3
125.02444	40.0
126.02776	1.4
129.23619	0.8
135.00873	6.1
137.02432	5.3
139.03929	1.7
145.03053	0.9
151.00363	1.6
153.01918	1.0
161.09683	2.3
163.03972	4.4
165.01892	3.1
165.05493	1.2
167.03490	28.6
168.04109	1.4
173.04538	1.6
177.91838	1.0
178.99860	1.0
187.07603	1.1
191.03525	0.9
191.10797	1.0
197.11852	0.9
209.11803	1.3
215.07056	1.1
217.83594	0.8
221.08238	1.3
247.09955	2.1
255.02995	2.1
256.03732	1.7
257.04404	0.9
257.07785	1.0
259.19278	1.1
265.10785	22.7
266.11053	1.1
269.04288	1.0
271.02472	4.6
271.06052	3.3
271.09634	1.9
285.03885	1.8
289.10864	4.7
300.02795	6.9
301.03384	2.4
331.17438	1.1
339.12146	1.2
359.69290	0.9
374.63016	1.2
397.13013	2.1
415.14240	4.1
433.07526	3.8
433.19949	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	433.15
Annotation	Scorzodihydrostilbene C
Peak:m/z	Relative Intensity
57.03439	0.8
59.01377	2.9
61.98830	2.2
65.03950	0.4
70.38242	0.6
70.38600	0.7
85.02956	4.4
91.01888	1.2
93.03486	0.4
93.90134	0.3
107.01400	0.9
108.02161	0.8
109.02959	4.2
119.05029	0.7
121.02937	0.6
121.06575	0.3
122.03740	8.6
122.04632	0.4
123.04501	1.3
124.01661	1.6
125.02489	0.5
129.01926	0.6
135.00873	2.3
136.01674	1.5
142.72144	0.3
147.02986	0.4
149.02480	2.1
150.03221	34.5
150.19801	0.3
151.03592	0.9
153.01962	0.6
163.03981	2.8
165.01939	0.3
167.03473	3.7
183.92264	0.3
191.01910	1.6
191.03481	1.0
209.04713	0.5
219.63335	0.3
227.10767	0.7
238.06204	0.3
256.07346	1.2
271.09738	100.0
272.07086	0.5
272.10068	8.1
300.02762	1.3
313.10751	1.2
433.07565	0.6
433.23651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
59.01378	37.1
60.06778	0.3
60.97923	0.4
61.98827	21.2
63.02390	3.4
65.00322	10.7
67.33345	0.3
69.38750	2.7
70.17848	0.4
71.01369	1.6
73.02950	1.1
83.01382	7.5
87.00865	0.4
89.02448	0.9
93.03442	4.5
101.02451	1.4
107.01390	16.2
108.99287	0.3
112.14350	0.3
113.02458	0.9
117.03454	0.8
119.05020	34.7
120.05368	1.3
121.02959	0.6
125.02438	4.8
133.02910	0.5
137.02438	0.4
143.05035	1.6
145.02956	4.3
149.04584	0.4
151.00360	66.3
152.00700	1.9
157.06639	0.5
161.04544	0.7
161.06062	1.4
163.03940	0.4
165.01909	5.9
167.03461	0.7
168.14117	0.4
169.01433	2.6
177.01926	4.7
185.06113	3.5
187.04005	3.0
193.01367	0.7
199.07718	0.5
203.07088	0.7
205.32539	0.4
209.08179	1.1
227.07185	2.7
229.04903	0.5
253.05008	0.6
271.06100	100.0
272.06427	5.6
295.05994	0.5
300.02661	0.7
313.05417	3.8
433.11441	11.5
434.11835	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08181	0.3
57.03432	0.3
59.01381	27.9
59.41771	0.3
61.98831	32.1
63.02396	3.2
65.00321	9.4
65.88667	0.2
69.40497	1.8
69.40902	0.5
71.01365	0.7
80.79939	0.3
83.00916	0.5
83.01388	7.9
85.02943	0.4
87.93715	0.2
89.02424	0.6
92.40306	0.3
93.03457	4.9
95.01407	0.5
101.02419	0.5
103.94544	0.3
107.01389	17.3
107.97599	0.3
108.01785	0.3
113.02471	0.4
117.03468	1.2
119.05026	32.1
120.05369	1.2
121.02949	0.7
125.02444	3.3
133.02975	0.5
137.02426	0.7
143.05037	1.4
145.02948	5.0
147.04482	0.4
149.02449	0.5
151.00366	63.2
152.00710	2.1
157.06578	0.4
161.04643	0.3
161.06056	0.8
162.76076	0.3
165.01945	6.2
167.03448	0.3
169.01427	2.1
177.01923	4.7
185.06099	2.6
187.04002	2.9
188.75352	0.3
193.01393	0.8
199.07639	0.7
203.07199	0.4
209.08154	2.3
227.07115	3.3
251.09152	0.3
253.05031	0.6
269.04630	0.6
271.06107	100.0
272.06436	7.5
295.06052	0.4
300.02649	0.3
313.05551	4.4
371.13583	0.4
421.48770	0.3
433.11392	13.2
434.11548	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.114
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
59.01379	21.5
61.98830	15.3
63.02401	2.8
65.00327	9.4
69.69408	0.3
70.66979	0.5
70.67324	0.6
71.01379	0.9
73.02946	0.4
83.01387	8.4
85.02965	0.4
89.02451	0.7
93.03455	5.7
101.02448	1.0
104.42323	0.3
107.01392	18.1
111.04127	0.4
117.03449	1.1
119.05029	33.7
120.05368	1.3
121.02954	0.4
125.02449	3.3
135.29254	0.3
137.02475	0.7
143.05017	1.5
145.02956	4.3
149.02419	1.0
151.00368	60.7
152.00673	1.8
157.06584	0.6
161.06093	1.1
164.01138	0.4
165.01935	6.0
169.01447	3.1
177.01921	4.2
184.05272	0.4
185.06046	2.7
187.03992	3.3
193.01445	1.0
199.07590	0.4
203.07129	0.4
209.08124	0.7
227.07135	2.8
271.06116	100.0
272.06430	5.9
300.02698	0.5
313.05453	4.2
352.22241	0.4
433.11426	12.0
434.11542	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1139
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
51.58899	0.3
55.08897	0.3
57.03415	0.7
59.01382	13.3
61.93124	0.3
61.98778	1.8
63.02406	2.7
65.00024	0.6
65.00320	5.2
69.47015	1.7
69.47427	1.1
71.01385	7.1
72.99267	0.8
73.02920	0.9
81.03419	0.4
83.01394	4.4
85.02948	2.2
87.00835	0.6
89.01955	0.5
89.02452	6.9
91.23647	0.4
93.03466	7.8
95.01367	0.7
99.00838	0.7
101.02452	4.8
107.01389	13.0
108.02130	1.5
113.02458	5.7
119.03465	3.1
119.05028	28.3
120.05297	0.8
122.03756	2.5
125.02425	1.8
131.03407	0.5
135.00859	0.9
135.04504	4.6
136.01649	2.1
143.03467	0.6
145.02946	0.6
149.02382	0.4
151.00368	43.9
152.00655	1.5
154.31325	0.4
161.04532	1.8
161.05910	0.6
164.01144	2.9
165.01964	1.9
165.17928	0.4
169.01343	0.6
175.00296	0.5
175.02498	0.4
177.01938	7.4
179.05568	1.6
185.05981	0.7
187.03998	0.6
196.00119	1.0
227.07100	0.7
241.05058	0.8
253.05106	0.6
271.06113	100.0
272.06439	7.4
279.02789	0.4
300.02905	2.1
301.03394	0.6
313.07239	1.0
352.98254	0.4
392.18094	0.5
433.11481	21.0
433.24316	4.8
434.11667	2.7
449.49280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10876	0.6
52.28214	0.5
52.31475	0.6
53.61780	0.6
55.01875	0.9
57.03456	5.4
58.00586	0.9
59.01381	52.4
61.98808	2.1
63.02389	2.2
65.00324	9.2
65.84668	0.7
68.99804	0.7
69.18597	6.1
71.01019	0.7
71.01384	12.6
73.02935	2.7
75.00868	0.9
81.03458	0.9
83.01385	9.5
84.01727	0.6
85.02946	7.3
87.00861	1.3
87.04503	1.0
89.02447	7.5
93.03461	5.7
93.77463	0.8
95.01366	0.8
97.02923	1.4
97.07352	0.6
99.00869	1.7
101.02435	8.5
107.01395	15.3
109.02946	1.0
110.16771	0.6
113.02440	6.1
117.03477	0.7
119.03497	3.8
119.05025	38.0
120.05325	1.5
121.02962	1.7
123.04551	0.9
125.02460	9.5
127.00333	0.9
133.02960	0.8
135.04526	0.8
137.02440	2.3
143.04984	1.7
145.01401	1.5
145.02982	3.8
147.04463	0.7
149.02402	1.5
151.00368	63.0
152.00679	1.8
155.03387	0.7
161.02475	0.6
161.04550	2.9
161.05965	1.2
163.00352	1.7
165.01930	7.3
167.03494	1.4
169.01405	2.5
177.01910	4.9
179.05650	1.3
185.06047	2.8
187.03964	3.2
191.01903	0.7
191.03465	0.8
193.01376	6.9
199.07680	0.9
223.02571	0.8
227.07162	2.8
227.12665	0.8
241.04976	1.1
253.05106	0.7
257.08173	1.2
271.06110	100.0
271.19101	2.7
272.06464	8.4
274.77081	0.7
285.13522	1.3
287.14996	5.0
313.07266	27.2
314.07495	2.2
333.66458	0.7
343.08096	6.1
345.38269	0.7
415.10291	0.9
433.11368	24.7
433.16614	1.5
433.24420	6.0
433.31717	2.5
434.11548	2.8
434.24469	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91331	0.4
51.74394	0.4
52.98127	0.4
59.01367	1.0
69.87262	1.7
71.01408	0.7
86.94718	0.5
89.02431	0.8
95.01409	0.6
97.02984	0.7
123.00904	5.7
124.01665	22.4
125.02464	20.5
126.02789	0.7
133.67180	0.5
141.17261	0.5
149.99590	31.6
151.00291	1.0
157.25380	0.5
167.03455	0.9
168.00642	92.0
169.01292	5.2
195.76552	0.5
239.05592	1.0
245.97664	0.4
257.06769	0.7
301.05634	2.7
406.28720	0.5
415.08792	1.5
432.31030	0.5
433.09860	100.0
434.10141	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	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	1.4
59.01382	9.5
60.99291	1.0
65.00323	3.0
68.99808	1.0
69.03433	0.7
69.56531	1.5
69.56948	2.1
71.01381	5.0
72.99320	0.8
73.02924	1.2
75.00906	0.7
77.23618	0.5
79.01897	0.9
81.03471	2.8
83.01382	3.9
85.02943	3.1
88.98806	6.9
89.02437	2.8
89.86488	0.6
91.99551	0.6
93.03454	7.0
95.01370	1.3
95.04999	0.7
97.02937	4.0
98.19913	1.3
101.02428	2.5
105.03455	1.3
107.01378	5.1
107.05023	0.9
113.02464	3.1
117.03447	0.6
119.03571	1.1
119.05026	35.3
120.05344	1.1
121.02947	6.6
123.00858	2.1
123.04493	1.3
125.02449	16.4
127.03981	0.6
133.02922	0.6
135.00827	0.9
135.04494	1.0
136.01654	0.6
137.02426	5.3
143.05013	3.2
145.02933	3.6
147.04497	1.0
149.02457	4.6
150.99214	0.7
151.00365	11.9
155.03490	1.6
161.02370	0.8
161.04549	0.8
161.05963	1.4
163.00397	5.4
163.03946	1.4
164.01103	1.7
165.01927	9.3
167.03493	5.4
177.01912	3.0
179.03462	1.7
185.06064	1.6
187.03986	3.8
191.03468	1.3
193.01405	27.1
194.01836	1.1
199.07671	1.2
203.07130	0.7
205.01443	1.0
207.02939	2.0
219.02946	2.4
223.02492	4.3
227.07191	2.1
241.08690	0.8
253.14369	0.8
269.08182	1.7
271.06107	11.0
272.06561	0.8
283.06033	2.9
285.07608	0.8
285.13278	1.6
299.14822	0.6
313.07169	100.0
314.07510	8.1
325.07156	1.6
343.08215	26.8
344.08569	2.1
347.16931	1.1
355.08261	1.4
387.20242	1.7
415.10339	2.1
433.11411	22.5
433.16406	1.1
433.20520	1.1
433.25098	0.9
434.11700	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	433.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26163	0.3
59.01382	2.3
65.00336	0.7
65.88455	0.3
69.34451	0.6
69.34871	1.5
71.01374	0.4
71.54711	0.3
72.96114	0.3
83.01379	0.6
84.00022	0.3
93.03459	0.4
98.20695	0.6
107.01402	1.7
108.02159	1.5
109.02953	0.9
119.01397	0.5
121.02954	1.2
135.00868	0.7
138.62120	0.3
148.01643	1.5
149.02437	0.3
151.00369	7.6
163.00378	1.8
164.01187	0.5
165.01947	0.7
175.40794	0.3
176.79541	0.3
178.99850	3.6
183.04462	0.5
187.03938	0.3
190.81706	0.3
199.03975	0.5
211.03981	0.6
215.03535	0.6
216.04283	0.7
226.02734	1.2
227.03484	2.3
227.07094	0.5
228.03918	0.4
229.05016	0.5
243.02979	9.4
244.03709	0.6
245.04488	0.7
254.02286	1.6
255.02965	24.6
256.03217	1.7
271.02460	55.2
272.02942	4.1
273.03937	0.5
283.02460	1.1
287.15015	0.3
299.01944	1.4
300.02725	100.0
301.03412	26.2
301.08508	0.4
302.03931	1.5
333.24319	0.3
343.04309	0.5
433.07697	60.2
434.08054	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	432.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56610	0.4
52.35899	0.3
59.01381	17.2
60.01694	0.4
61.98830	100.0
63.21528	0.3
69.51765	0.4
70.70336	0.9
71.01370	2.2
75.32709	0.3
83.36674	0.3
85.02958	0.4
87.17137	0.3
89.02445	2.7
101.02473	1.4
107.00616	0.3
113.02468	1.2
119.03532	1.0
119.05030	0.7
120.92209	0.3
125.02458	2.1
137.02493	0.4
161.04646	0.5
167.03540	1.3
179.05582	0.7
238.64787	0.3
241.04713	0.5
256.03897	1.2
256.07089	0.4
265.10858	0.6
271.06116	2.3
277.74072	0.3
300.02789	0.7
326.19659	0.4
360.73483	0.3
432.23547	0.5
433.07474	0.5
459.60846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.6
59.01381	21.1
60.01715	1.8
61.01778	0.7
61.98830	100.0
67.94539	0.7
69.32857	4.9
69.48681	0.5
71.01381	2.2
73.02953	0.9
78.95883	0.6
83.01390	1.0
85.02959	1.1
89.02425	1.7
101.02460	2.0
113.02480	1.3
124.30640	0.6
125.02469	2.9
145.02988	0.7
163.04021	0.8
167.03491	0.9
227.16574	1.4
251.11917	0.6
271.02823	1.0
271.06302	0.9
278.76215	0.6
300.02835	2.0
304.38705	0.6
313.97534	0.6
372.21274	0.8
373.22253	0.8
415.09537	0.6
433.07663	1.2
433.24338	2.8
456.98895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77465	0.4
55.89939	0.3
57.03458	0.4
59.01380	21.9
60.01719	0.4
61.01809	0.4
61.98831	100.0
69.52209	0.7
69.52618	1.4
71.01391	2.3
73.02949	0.5
83.01373	0.4
85.02962	0.9
89.02433	2.7
98.19852	0.4
101.02454	1.6
113.02409	0.8
119.03535	0.9
125.02441	2.3
137.02455	0.8
138.02896	0.4
151.00459	0.5
161.04536	0.5
167.03477	1.7
174.46213	0.3
179.05663	0.7
192.65767	0.4
227.03479	0.4
240.04300	0.4
247.10011	0.4
256.03928	1.3
256.07083	0.4
265.10886	0.7
269.91684	0.4
271.06128	2.2
300.02844	0.7
372.21600	0.4
433.11411	0.4
433.24628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.5
60.01722	0.8
61.01808	0.9
61.98831	100.0
63.02404	0.7
65.00339	0.5
70.54513	0.3
70.90735	0.7
71.01377	2.8
72.99292	0.3
73.02950	0.8
83.01393	0.6
85.02959	1.2
87.00883	0.4
89.02445	2.7
93.03455	0.9
101.02471	1.5
102.70336	0.4
107.01430	0.8
113.02466	1.3
117.03479	2.0
118.03810	1.1
119.03517	1.0
119.04987	0.4
120.74384	0.3
121.02992	0.7
123.04475	0.4
125.02464	0.8
137.02460	0.4
149.02457	1.2
151.00366	1.5
152.00694	0.4
157.61081	0.4
159.04482	0.6
161.02524	0.4
161.04594	0.5
162.02908	0.3
167.03548	0.4
170.07011	0.5
179.05544	0.5
182.06985	0.4
183.04567	0.5
184.04892	0.9
197.05779	0.7
225.05450	1.1
226.05894	1.0
232.70332	0.4
269.01581	0.5
269.04538	10.5
270.04892	24.6
271.05753	1.9
288.09335	0.4
312.06015	0.6
432.10159	19.2
433.11136	2.3
433.24533	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
52.33475	0.4
55.01865	0.6
57.03456	1.3
59.01382	100.0
60.01724	0.7
61.98817	0.8
69.33630	1.1
69.34042	2.2
69.98448	0.4
71.01383	8.5
72.99314	0.5
73.02954	3.3
83.01390	1.1
85.02955	3.1
89.02447	3.1
93.03451	0.4
94.72265	0.4
95.01418	1.0
99.00854	0.8
101.02446	4.7
113.02463	3.6
115.03975	0.7
119.03484	0.8
119.05034	0.8
125.02452	2.5
137.02448	0.9
151.03967	0.8
159.03015	0.7
161.04553	5.7
163.03970	0.9
165.01875	0.5
167.03424	1.2
173.04543	0.5
181.12302	1.2
209.15370	1.3
228.25375	0.4
251.16431	0.9
269.17551	0.6
322.25980	0.3
322.31595	0.4
369.25287	0.4
371.20715	8.9
372.20981	0.7
373.47250	0.4
394.72818	0.4
431.17331	0.7
431.22574	13.3
432.22858	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2437
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
50.21927	0.4
59.01380	1.9
61.98831	1.1
70.43748	0.4
71.33272	0.4
71.42156	0.7
80.70877	0.4
88.98845	0.4
89.11820	0.4
90.51260	0.4
115.92064	0.9
117.03471	17.2
118.03793	0.7
119.05030	26.5
120.05396	0.8
121.02970	1.2
123.04578	0.5
124.44959	0.4
145.02956	100.0
146.03268	4.2
152.99596	1.0
163.04010	18.9
164.04356	1.2
214.53894	0.4
267.19580	1.6
268.19684	0.4
285.20728	7.9
311.05804	0.5
320.01166	0.4
413.23196	0.5
431.24353	35.7
432.24643	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	432.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
58.84507	0.1
59.01386	1.5
60.01725	0.1
61.98824	0.4
69.01109	0.1
69.37408	0.5
69.37823	0.3
69.67470	0.1
70.05339	0.1
71.01030	0.2
71.01368	0.9
73.02947	0.3
85.02937	0.6
87.00921	0.2
89.02450	1.0
91.54579	0.1
93.03481	0.2
99.00886	0.4
101.02442	0.5
102.01010	0.1
108.02175	8.2
111.00906	0.1
113.02489	0.4
119.03479	0.2
121.02924	0.2
123.04553	0.2
125.02458	0.7
137.42447	0.1
138.01970	100.0
139.02309	2.6
139.21228	0.1
149.04581	0.3
149.85640	0.1
151.02711	0.3
151.03989	0.2
161.04553	0.2
173.04623	0.1
180.02997	1.4
191.05547	0.2
227.07103	1.0
231.39529	0.2
271.06107	0.2
354.08334	0.2
432.11383	4.7
433.11667	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03451	0.7
58.03034	0.3
59.01381	100.0
60.01716	1.2
60.13532	0.3
61.98834	2.7
69.42149	1.7
71.01382	6.0
73.02943	1.6
81.03457	0.3
83.01407	1.0
83.30246	0.3
85.02944	2.8
87.00875	0.3
89.02466	0.9
95.01413	0.4
97.02943	0.5
99.00323	0.3
99.00902	1.3
101.02441	4.1
109.75919	0.3
113.02462	2.6
115.04032	0.4
125.02442	4.0
137.02412	1.4
138.03232	0.6
143.03528	0.4
151.04059	0.9
159.03056	0.6
161.04555	6.8
163.04039	0.4
165.01981	0.5
167.03572	1.1
183.04507	0.3
203.07303	0.4
211.04120	0.3
227.03679	0.4
255.02986	4.0
256.03586	0.4
268.03952	0.4
269.04434	1.5
279.08389	0.3
283.02484	3.0
284.03210	0.8
285.04187	0.5
297.04016	2.8
298.04782	4.4
298.07819	0.3
299.05536	0.9
301.03711	0.8
333.06375	0.3
371.20743	9.2
372.21234	1.0
399.11002	1.3
431.09625	7.7
431.22687	2.0
432.10257	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59211	0.4
55.34118	0.4
56.99932	0.4
57.03447	2.8
59.01379	100.0
60.01731	0.9
61.98819	2.4
69.03458	0.5
69.32518	3.2
71.01380	7.4
72.99311	0.7
73.02956	1.6
78.95939	0.4
81.03471	1.2
83.01411	1.5
83.05042	0.6
85.02959	3.7
87.00881	1.2
88.98859	0.6
89.02444	4.6
93.03457	3.0
95.01411	0.7
95.05046	1.0
97.02972	0.8
99.00878	0.8
99.04552	1.2
101.02447	5.6
109.02985	0.8
111.00921	0.6
111.04514	0.8
113.02447	4.3
113.53020	0.4
115.04018	4.9
119.03532	2.3
119.05018	5.8
125.02450	7.9
129.01999	0.6
131.03485	0.7
135.00914	0.7
137.02426	5.2
138.03247	0.8
139.04056	0.7
142.51782	0.4
142.79948	0.5
145.03004	1.3
147.03021	0.9
149.02379	0.6
151.04042	1.3
155.03539	0.8
159.04607	0.8
161.04602	1.4
163.00439	0.7
163.04001	6.9
165.01904	2.2
165.12898	2.0
166.02760	0.9
167.03488	4.1
168.04291	5.2
168.54510	1.2
173.04556	6.6
173.06023	0.6
174.03267	0.9
174.90594	0.5
177.02019	0.5
183.04535	0.5
183.13870	2.5
187.04282	0.5
187.07674	0.8
187.11353	1.8
189.39545	0.4
191.05634	4.3
191.14500	0.7
203.07399	0.5
205.05125	1.0
205.12320	0.6
209.11888	1.1
209.15511	1.2
213.09267	1.8
215.07198	1.4
217.08679	1.1
227.12859	3.0
231.10226	0.7
240.04327	0.5
243.06781	0.5
247.06116	0.7
247.09782	2.1
255.06482	2.8
257.08234	1.3
262.10364	0.7
263.09399	0.7
269.04767	0.6
284.09991	1.4
284.60059	0.7
295.05978	0.5
299.18719	0.6
301.03745	0.8
337.10110	2.1
355.12085	0.6
363.08420	0.5
365.12628	1.6
371.20724	30.2
372.21097	3.2
381.09729	0.7
385.13263	0.8
413.12613	1.4
431.13708	1.0
431.22668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96425	0.3
70.88416	0.2
71.16317	0.3
78.95904	53.5
82.17294	0.2
96.96964	5.7
112.21004	0.2
150.98007	1.7
152.99585	100.0
153.99916	1.6
154.02768	0.2
171.00647	4.4
219.23091	0.2
277.21677	0.4
287.46194	0.2
431.22015	7.5
432.22424	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.7
59.01377	5.5
61.98828	12.7
69.03466	0.7
71.01379	1.0
71.52699	0.4
71.53132	0.5
73.02915	0.4
73.18990	0.4
83.05003	0.4
89.02454	0.5
95.05028	0.9
95.68800	0.4
96.84045	0.4
97.06586	11.0
101.02471	0.7
113.02467	0.5
123.08153	5.8
125.09719	100.0
126.10064	4.0
127.97910	0.4
143.10788	1.2
144.66809	0.4
150.07555	0.4
151.03964	0.9
163.03955	0.6
169.08693	2.8
170.23769	0.3
187.09747	79.5
188.10091	3.8
208.40424	0.4
209.11780	0.6
236.25687	0.5
243.12308	0.7
261.13419	18.2
262.13806	1.2
263.11401	0.4
272.33633	0.4
431.22818	65.2
432.23135	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	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88573	0.5
57.03448	0.7
59.01380	100.0
60.01704	0.9
61.98831	1.8
69.48136	3.2
71.01407	1.3
73.02962	1.0
74.13577	0.4
81.16557	0.5
83.05035	0.9
88.98792	0.7
98.20558	1.0
101.02479	1.3
113.02504	0.6
124.77643	0.6
125.02430	0.5
143.03520	0.6
163.03979	0.9
163.11365	0.6
165.12860	4.9
183.13885	6.5
207.13924	0.6
209.11902	0.9
221.15536	0.7
227.12856	8.3
233.11864	0.9
248.18681	0.5
249.14949	0.7
251.12912	1.5
255.82249	0.5
263.13068	0.9
265.14493	1.0
269.14081	1.5
275.12930	1.1
281.14008	0.9
293.13910	7.7
293.16815	0.6
311.15152	0.5
313.12564	0.5
371.17334	1.7
431.13574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
62.96386	0.2
78.95901	72.5
84.43879	0.2
91.35070	0.2
96.96376	0.3
96.96959	5.8
98.20670	0.8
115.43066	0.3
144.79237	0.2
150.98004	2.1
152.99577	100.0
153.11038	0.2
153.34151	0.2
153.99942	1.3
171.00623	2.7
188.61098	0.2
214.44098	0.2
277.21762	1.0
354.25110	0.2
374.44614	0.2
431.21979	14.7
432.22223	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	431.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.4
57.03447	7.3
59.01380	100.0
61.98832	4.1
64.74468	1.4
65.00340	2.6
65.03950	1.7
67.01887	2.7
68.99814	7.1
69.03445	3.6
70.67680	3.5
71.01379	13.9
71.05012	2.0
72.11642	1.6
73.02953	5.1
75.00884	2.7
79.63763	1.3
81.03454	14.2
83.01379	12.4
85.02934	5.9
87.00871	2.9
89.02457	4.3
93.03429	7.0
95.01399	2.6
95.05010	6.4
97.02937	9.8
97.06584	5.8
99.00872	2.3
99.04535	10.9
101.02421	10.8
104.86067	1.4
107.01404	1.6
109.02972	9.9
111.00884	2.3
113.02452	6.3
113.06072	2.2
115.04016	5.7
117.03462	2.9
119.03497	2.2
119.05035	12.0
121.02964	7.5
121.06604	1.6
123.00916	1.6
123.04502	4.5
124.01675	2.8
125.02450	47.4
126.02753	1.8
131.05000	2.0
133.02914	2.2
133.06596	2.4
135.00914	4.6
137.01469	2.6
137.02451	38.0
138.03239	15.1
139.03941	5.0
141.05573	9.4
143.05028	3.4
145.02951	3.9
147.04558	2.9
148.01579	2.1
149.02431	6.3
149.06078	6.2
151.00320	2.3
151.04025	12.8
157.06543	3.5
158.03752	2.2
159.04498	5.0
159.08148	2.0
160.05257	1.7
161.02406	3.9
161.04543	7.7
161.05885	2.8
163.00334	8.9
163.04001	11.7
165.01935	20.9
165.03970	1.8
166.02687	8.1
167.03499	43.9
167.04955	2.8
168.04295	7.7
168.56932	1.4
169.06691	1.5
171.04471	2.4
173.04558	5.2
173.05991	2.6
175.03961	1.8
175.07649	2.2
177.01915	12.5
177.05557	3.3
179.03386	2.8
185.05925	3.6
187.04005	6.5
187.07587	3.0
188.04770	3.7
189.05559	4.4
189.09258	2.0
190.02681	1.7
191.05534	1.9
191.10730	1.7
195.02966	2.4
201.05556	4.6
203.03403	4.2
203.07114	6.8
205.05054	7.2
207.10278	4.5
211.04010	3.9
212.04588	1.8
213.05571	2.6
214.02660	1.9
215.03474	4.1
215.07156	4.6
217.08604	2.2
219.10269	2.5
227.03554	3.2
227.10754	2.2
228.04222	2.7
229.04941	7.5
231.02950	4.6
231.06613	4.4
233.08127	5.9
243.06599	2.8
245.04501	4.7
247.06093	10.1
247.09668	5.5
251.16490	2.2
257.04562	8.1
261.07596	4.8
263.05551	2.5
263.08990	3.2
269.17499	2.2
273.03967	3.3
279.08780	11.7
284.09854	4.3
286.04669	2.1
289.07123	3.7
293.11823	2.1
301.03607	12.7
309.11234	9.0
311.09241	2.2
316.05710	1.7
325.94266	1.7
327.12192	3.5
329.10202	3.1
333.06015	10.3
335.08975	2.4
337.10672	6.7
353.10254	7.3
355.11880	2.7
365.12411	2.2
367.11807	5.1
371.20593	6.0
381.09729	5.0
385.12949	7.1
395.11472	3.3
399.10849	7.4
403.13980	2.6
413.12387	7.8
431.13647	9.8
431.22311	12.9
432.85934	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36539	0.8
55.01834	1.0
57.03188	1.6
57.03450	14.6
58.87233	1.0
59.01380	28.2
61.98833	4.6
65.03963	1.3
65.29826	1.3
67.01907	2.8
68.90087	0.9
68.99806	1.7
69.03456	1.5
69.55897	5.5
71.01389	6.4
72.30655	1.0
73.02941	3.5
81.03443	5.7
83.01382	7.5
83.04998	1.4
85.02950	3.8
87.00897	1.5
89.02444	2.8
93.03435	5.0
94.95988	1.1
95.01374	1.6
95.05014	1.9
97.02979	2.7
97.06564	2.3
99.04510	4.7
99.08953	1.0
101.02462	4.1
107.05015	6.1
109.02969	7.5
111.08154	1.0
113.02438	3.1
115.04021	1.1
115.05501	1.0
117.03464	1.1
119.03471	1.4
119.05038	5.0
121.02976	3.4
123.00888	1.4
123.04539	2.8
123.08158	1.2
125.02451	100.0
126.02792	2.4
133.02962	1.1
137.02455	19.2
138.03285	8.7
139.04022	1.6
147.04504	1.0
147.08199	1.0
149.02469	3.0
149.06102	2.5
151.00340	1.3
151.04008	34.6
158.03729	1.8
159.04536	1.8
159.31772	1.2
161.02469	2.2
161.04581	1.3
163.00415	2.0
163.03947	6.4
165.01944	11.2
166.02740	4.9
167.03511	18.3
173.02455	1.2
173.04561	3.8
173.06030	1.8
175.07645	1.8
177.01941	7.3
177.05626	1.4
177.09116	1.5
183.04497	1.5
187.07623	3.0
187.11266	1.1
189.05614	1.5
189.09186	1.9
191.10687	1.4
201.05713	1.1
201.09178	2.3
203.03505	1.4
203.07050	2.0
204.04234	1.9
205.05009	5.7
209.11707	1.6
213.05641	1.3
215.03540	1.3
215.07098	4.6
227.03391	1.8
227.06728	1.2
229.05063	2.3
231.06647	1.7
233.08167	14.1
243.06573	2.9
247.06070	1.6
247.09761	7.3
253.04994	2.1
257.11560	1.2
261.44556	1.0
263.09091	2.2
268.03729	6.9
269.04572	2.9
269.08160	5.7
269.13882	4.5
279.08789	2.4
283.13385	2.2
284.09747	2.1
287.22269	1.5
295.09805	1.2
299.12909	1.7
301.03497	3.5
305.10260	13.8
306.10471	1.7
309.11572	1.8
321.55353	1.0
327.12158	1.8
329.10327	1.2
333.06259	2.1
337.10840	8.8
338.11301	1.8
341.13992	1.8
355.11584	2.7
359.15085	1.9
369.13531	2.9
381.09738	4.3
385.12662	1.2
387.14899	1.6
389.21573	1.2
395.13562	6.4
399.10898	2.7
403.13129	1.1
413.12421	17.2
414.12662	1.3
431.13968	21.2
431.22018	3.6
431.26447	4.1
432.13940	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	431.0981
Annotation	Vitexin
Peak:m/z	Relative Intensity
57.03442	1.1
59.01164	0.4
59.01377	5.2
69.47237	0.6
71.01363	2.5
73.02948	0.9
74.33821	0.5
77.03967	3.2
79.01886	1.7
79.42416	0.5
87.00862	0.8
88.98824	0.6
89.02433	2.0
91.01888	0.8
93.03478	2.8
101.02433	0.7
102.98576	1.8
105.03429	1.1
111.04507	0.6
117.03470	11.7
119.05030	1.5
121.02954	2.9
125.02408	0.7
133.02963	1.4
135.04556	2.9
149.02489	1.4
159.04497	2.5
161.02457	5.3
163.00414	1.1
163.04004	4.1
165.01889	1.9
175.00305	0.8
176.92929	0.7
182.03642	0.6
183.08122	0.5
191.03516	1.3
197.06041	1.5
203.03513	0.9
210.06825	0.8
211.07574	1.5
215.07018	0.7
224.04675	0.9
225.05606	0.8
237.05540	0.7
239.07178	2.4
240.04254	0.6
253.05116	1.6
268.03775	3.0
269.04544	11.1
270.04874	0.9
281.04526	8.9
282.05286	5.4
283.06119	64.1
284.06424	4.4
293.04593	2.9
295.06064	3.9
296.06470	0.7
308.03439	0.6
309.04034	1.3
311.05600	100.0
312.05920	8.1
314.04248	1.4
323.05588	7.9
325.07269	1.0
341.06641	22.6
342.07040	1.8
353.06686	1.7
403.50488	0.6
413.08710	2.3
415.32889	0.6
431.09811	67.8
432.10245	7.1
434.24423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.104
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85263	0.7
58.89598	0.5
59.01364	1.0
60.99010	0.9
60.99305	12.9
62.37434	0.6
66.33436	0.6
69.78786	0.5
70.16840	2.3
85.02948	0.6
87.00876	2.8
88.98804	100.0
89.02452	3.4
89.99148	1.3
93.03471	1.1
105.11810	0.6
114.54908	0.6
137.02451	1.4
146.10309	0.5
172.40047	0.5
191.05676	1.1
194.19061	0.6
199.04337	0.6
203.05444	0.6
215.83769	0.5
223.87189	0.6
311.91202	0.6
341.10962	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
65.03950	0.4
69.85159	0.8
69.85553	0.5
71.01386	1.2
73.02946	0.5
85.02952	0.6
87.00938	0.3
88.98787	0.8
89.02431	0.5
93.03457	69.9
94.03773	1.6
98.19919	0.3
99.00887	1.1
101.02434	1.0
113.02454	0.5
125.02382	0.4
137.02443	100.0
138.02788	3.1
143.03499	0.5
161.04623	0.3
163.31206	0.3
179.03470	0.8
188.23569	0.3
191.05617	0.9
281.06589	0.3
293.09033	0.3
299.07715	2.8
300.08255	0.4
431.11929	31.2
432.12396	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40165	0.3
57.03436	0.8
59.01381	10.0
60.01702	1.1
61.01802	0.6
61.98830	11.7
62.71883	0.3
63.02391	0.9
65.00319	0.4
71.01385	2.2
71.08117	0.4
73.02955	0.7
83.01395	1.1
83.79566	0.3
85.02934	0.6
87.00876	0.4
89.02445	1.9
91.02851	0.3
93.03465	0.6
96.96039	0.4
96.96967	0.3
101.02442	1.3
107.01392	1.4
109.02959	0.3
111.70774	0.3
113.02431	0.9
117.03461	1.7
119.03460	0.9
122.80482	0.3
125.02406	0.3
139.03917	0.3
148.01659	0.8
149.02391	1.6
149.99524	0.5
151.00346	3.4
159.04475	0.3
161.04536	0.6
171.04475	1.0
172.05238	0.8
173.04573	1.2
179.05666	0.3
183.04456	0.6
184.05170	0.5
196.05269	0.7
197.81860	0.3
200.04787	0.7
201.05521	0.4
211.03934	1.3
212.04736	0.9
227.03467	0.4
239.03479	3.2
240.04256	4.2
241.04549	0.3
251.12550	0.3
257.08115	0.9
263.14926	0.5
265.11224	0.3
267.02890	2.1
268.03748	100.0
269.04462	31.9
269.06851	0.3
269.07657	0.6
270.04938	1.9
283.05991	0.7
285.16891	0.3
311.05560	1.1
350.60538	0.3
387.15591	2.2
395.19238	2.9
431.09799	77.6
432.10132	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	431.0982
Annotation	Kaempferide 3-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
53.11760	0.7
57.03437	3.2
59.01379	52.5
61.98829	9.1
65.09725	0.8
68.99808	1.5
70.67756	1.3
70.68069	1.1
71.01385	6.5
72.77045	0.7
73.02937	2.7
74.85842	0.7
81.03454	2.6
83.01384	2.5
85.02956	3.5
87.00866	1.2
87.04509	3.2
88.98805	1.3
89.02456	3.6
93.03468	2.0
95.01366	1.1
95.05008	1.3
96.96025	0.8
97.06576	1.7
99.04491	2.3
101.02438	5.5
102.98575	1.4
109.02948	3.1
113.02435	2.5
115.04002	2.1
119.03500	1.2
119.05025	7.6
120.99616	3.1
121.02947	1.1
123.00874	0.7
123.04521	1.0
125.02449	20.7
135.00873	1.0
137.02437	9.4
138.03195	4.0
139.04001	1.4
145.02936	2.4
147.04398	0.8
149.02429	1.4
149.06013	1.8
151.03958	4.4
159.04485	2.0
161.02396	2.3
161.04529	3.3
161.05913	1.8
162.03133	0.9
163.00333	2.4
163.04013	5.9
165.01950	4.9
166.02637	2.1
167.03477	10.2
171.04488	0.8
173.04639	0.8
175.03979	1.4
175.92223	0.7
177.01926	1.2
177.05521	1.1
179.05508	0.9
185.06068	1.5
187.03932	1.3
187.07533	1.0
189.05441	0.8
190.02727	0.7
199.03972	0.9
201.05571	1.4
203.03514	1.3
203.07065	1.9
205.05019	2.5
209.11810	1.4
213.14873	1.3
215.07080	1.1
219.06656	1.1
221.08037	1.1
225.09135	0.9
227.03493	2.5
229.05022	1.8
231.02879	0.9
239.57732	0.9
247.05989	2.9
247.09766	1.7
255.02977	45.3
256.03461	3.8
261.07669	0.8
268.03802	4.0
269.04507	13.9
269.17545	5.0
270.04941	1.7
273.03989	1.0
273.17490	0.9
279.08746	3.2
281.04333	1.4
283.02481	36.2
284.03159	12.2
285.03857	3.4
289.07162	1.6
295.02423	0.8
297.04034	35.9
298.04782	59.6
299.05396	12.3
301.03448	5.0
307.08279	0.8
322.83627	0.8
333.06015	2.5
337.10800	1.9
353.10327	0.9
363.08395	1.2
371.20746	4.4
381.09860	1.6
399.10910	4.3
413.12314	2.3
431.09698	100.0
431.22534	6.7
432.09991	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41674	0.3
51.40619	0.3
55.56585	0.3
59.01380	100.0
60.01721	0.7
69.57411	1.5
71.01382	6.7
72.99316	0.6
73.02979	0.3
75.51167	0.3
83.01408	0.4
85.02959	0.9
87.00889	0.6
89.02444	12.1
95.01429	0.3
101.02446	3.1
113.02447	4.0
119.03492	4.8
120.39751	0.3
125.02491	0.4
131.03540	0.4
143.03549	1.0
149.04620	0.5
161.04588	1.1
161.13356	1.0
179.05588	2.5
205.12335	2.0
249.11320	4.1
267.12250	0.7
276.02481	0.4
333.41351	0.3
429.17123	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	430.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74972	0.8
55.01891	0.8
57.03445	2.6
59.01378	21.9
61.98830	20.9
67.01882	3.6
69.03436	1.1
69.37386	3.2
69.37814	3.0
70.84860	0.7
71.01375	10.5
73.02944	3.1
79.59402	0.8
83.01403	2.1
85.02924	4.2
87.00877	2.4
88.98795	1.3
89.02459	7.5
93.02875	1.4
93.03458	22.0
95.01355	1.3
97.02948	1.5
99.00885	1.8
101.02435	8.1
101.94424	0.9
107.30498	0.9
108.02177	5.0
109.02948	4.0
110.03293	1.2
111.00879	1.2
111.04531	4.6
113.02456	5.2
117.03451	1.4
117.05619	1.2
117.55021	1.0
118.98096	0.8
119.03524	2.4
120.75918	0.8
123.00880	1.7
124.01666	4.8
125.02448	15.5
134.03741	16.2
135.00883	1.2
137.02431	5.5
143.22025	0.9
149.06033	2.3
149.99588	5.9
152.01167	3.5
153.01797	2.6
154.02315	1.9
155.03511	4.9
161.04572	3.0
168.00635	13.9
169.01433	1.6
173.04543	100.0
174.01678	1.0
174.04884	3.9
179.05646	1.7
191.05647	3.6
193.05045	14.2
203.10742	1.1
257.10196	1.0
268.03751	3.5
269.04483	10.8
269.10336	1.2
311.11209	2.2
315.07272	2.4
316.07547	6.4
367.05707	1.2
367.10327	24.7
368.10617	2.0
430.10773	3.0
431.11584	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.5
57.03453	0.4
58.00584	0.3
59.01381	100.0
59.40969	0.3
60.01711	1.0
61.78737	0.3
61.98825	0.5
67.81345	0.3
69.45031	2.1
71.01382	5.6
72.99323	0.5
73.02975	0.4
85.02969	1.0
87.00892	0.6
89.02450	7.6
95.01421	0.4
98.19812	0.4
101.02441	2.8
113.02455	2.3
119.03504	3.1
125.02457	0.3
131.03482	0.4
143.03539	1.0
147.03000	0.6
147.27711	0.3
157.15843	0.3
161.04578	0.7
161.09712	0.5
165.04019	0.5
171.67033	0.3
179.05627	2.4
187.11331	1.2
205.12262	0.4
219.13902	0.5
233.45477	0.3
281.13931	2.4
293.51547	0.3
298.70016	0.3
369.19205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.3
57.03452	0.9
58.00592	0.7
59.01379	100.0
59.81130	0.3
60.01717	1.0
69.54746	1.8
71.01382	13.5
72.01711	0.4
72.99322	0.9
73.02952	0.8
80.06479	0.3
83.01417	0.6
85.02940	1.5
87.00885	1.1
89.02445	17.7
89.08229	0.3
95.01405	0.9
99.04520	0.4
101.02444	6.3
101.03106	0.4
102.02731	0.4
108.02184	1.1
113.02461	5.2
119.03503	6.4
131.03557	0.6
143.03569	1.2
149.04582	0.7
152.01175	1.5
161.04564	1.5
161.13391	1.4
170.79100	0.3
179.05605	3.5
204.58250	0.3
204.82018	0.4
205.12346	2.8
223.09834	1.4
223.13475	0.4
249.11307	3.0
255.16168	0.7
285.48703	0.4
356.10825	0.3
385.15018	0.6
429.17657	1.3
447.11395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Dendroside F
Peak:m/z	Relative Intensity
51.32718	0.6
52.56978	0.5
57.03446	1.0
59.01381	100.0
59.34553	0.5
60.01705	0.8
60.99314	1.9
61.98840	0.9
67.01900	4.1
69.03455	1.4
69.24986	0.5
69.27847	0.8
69.28257	3.6
71.01382	9.2
72.99328	0.6
73.02948	3.9
81.03471	1.0
83.01392	0.9
83.05032	0.8
85.02955	2.4
87.00871	5.7
89.02442	8.4
93.03462	27.7
94.03811	1.2
95.01441	1.0
99.00889	1.2
99.04522	0.6
101.02446	3.0
101.18349	0.5
111.00886	1.3
111.04524	3.2
113.02467	4.0
119.03504	3.2
129.02003	0.6
135.08194	0.6
143.03529	0.8
145.06223	0.5
148.63507	0.5
154.01460	10.0
155.03496	1.4
161.04597	2.1
163.04095	0.6
173.04550	11.5
174.05003	0.5
178.70717	0.6
179.05646	2.3
181.06642	0.8
191.05672	1.9
207.06697	0.7
223.13431	1.8
225.05556	7.8
226.05978	0.8
242.44449	0.5
255.16072	1.0
264.68683	0.5
267.12344	1.4
285.04120	1.2
316.06775	2.7
341.16162	0.9
429.08478	1.0
429.21335	31.7
430.21689	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01381	100.0
59.06855	0.2
60.01713	0.9
61.98830	0.3
65.03953	0.3
69.03435	0.3
71.01386	5.0
73.02935	0.4
83.01417	0.3
85.02952	1.1
87.00907	0.6
89.02443	5.8
95.01438	0.4
97.06586	0.2
98.20744	0.5
101.02433	2.4
103.81244	0.3
109.02952	1.1
113.02457	2.9
119.03523	2.8
131.03513	0.4
143.03554	0.8
153.01903	1.2
161.04530	1.0
161.09810	0.2
163.11440	0.2
166.77719	0.2
179.05611	3.5
179.07048	0.3
205.12430	0.3
220.08528	0.2
223.13464	0.7
229.31680	0.2
249.11298	0.4
267.12424	0.7
315.07370	0.7
429.21719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64929	0.1
57.97600	0.1
63.92659	0.1
68.16051	0.1
70.66418	0.3
71.01337	0.1
81.76299	0.1
82.33234	0.1
83.29243	0.1
85.26262	0.1
94.61320	0.1
95.22350	0.1
99.00909	0.1
99.92581	5.1
100.92679	0.4
100.93359	5.1
100.94050	0.2
101.93375	0.2
113.92645	0.2
115.92077	100.0
116.92084	4.5
116.92866	6.3
117.92558	0.2
132.92343	1.0
142.94434	0.3
155.95233	0.2
167.18596	0.1
172.95461	5.7
173.95627	0.2
185.99318	0.1
221.08153	0.6
222.08832	0.2
255.23286	0.7
315.30222	0.1
355.15826	0.8
371.15335	0.2
372.16119	0.1
381.17343	1.0
411.18457	0.4
429.19531	5.4
429.26340	0.9
430.19809	0.8
430.25894	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.5
58.00607	3.4
59.01380	100.0
69.82094	5.1
71.01384	44.7
72.99309	3.0
73.02974	1.6
81.07092	2.3
82.00918	1.2
83.01401	1.6
85.02947	9.1
87.00877	3.3
89.02448	55.7
95.01347	3.5
98.19765	1.2
99.04523	6.5
101.02436	24.7
113.02451	21.4
119.03497	25.6
126.41330	1.5
131.03499	1.3
137.62042	1.8
143.03516	4.4
145.49217	1.4
149.04576	2.7
153.36061	1.4
161.04578	4.7
161.13377	23.7
179.05669	11.5
179.52162	1.4
183.84515	1.5
205.12335	52.6
206.12704	1.7
223.13385	3.1
249.11327	79.2
250.11617	4.0
267.12268	4.4
319.66824	1.6
385.18414	1.6
429.17523	26.4
430.18173	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03456	1.6
58.00594	2.2
59.01379	100.0
59.55216	0.5
60.01712	1.2
61.98830	1.3
66.99693	0.5
69.47323	4.2
71.01380	28.1
72.01710	0.6
72.99311	2.1
73.02972	1.6
81.07118	1.0
81.77540	0.6
83.01396	2.0
85.02951	6.9
87.00884	2.4
87.72977	0.6
89.02445	35.2
91.52668	0.5
93.03471	0.7
95.01378	2.0
99.00880	0.7
99.04530	3.0
101.02442	15.2
111.04513	1.5
112.83637	0.5
113.02454	11.4
119.03493	14.0
119.04877	0.7
125.02412	1.5
131.03496	1.5
135.08189	2.3
143.03494	2.1
149.04549	0.9
161.04543	4.1
161.13354	11.8
162.13683	0.5
163.04034	0.7
165.06783	0.5
173.04483	0.9
179.05589	6.5
180.05809	4.8
181.06590	8.0
183.04501	5.6
187.11255	2.3
205.12326	30.3
206.12695	1.8
207.10243	0.8
223.13364	7.0
225.05559	74.5
226.05913	5.2
227.03671	0.6
227.22086	0.6
249.11308	30.9
250.11548	1.6
250.97987	0.6
267.12332	7.5
284.03223	1.1
285.04025	3.5
299.12726	0.6
369.19073	2.1
385.18433	0.9
428.70840	1.0
429.08246	1.3
429.17258	13.5
430.17526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78846	0.4
57.03452	0.8
59.01380	100.0
60.01713	0.9
69.34920	0.5
69.60529	1.0
69.60931	2.1
71.01382	16.5
72.99325	0.7
73.02949	0.6
75.36082	0.4
83.01402	1.1
85.02953	3.2
87.00895	1.5
87.75440	0.4
89.02448	20.3
93.03474	0.6
93.96613	0.5
95.01398	0.7
95.05032	0.4
99.04523	0.7
101.02448	6.9
108.02177	0.7
113.02458	7.3
119.03497	7.1
119.04975	0.4
125.02422	0.7
131.03526	0.7
137.02464	2.0
138.03249	1.4
139.04013	5.2
143.03517	1.6
149.04523	0.7
152.01170	2.1
161.04564	1.3
161.13335	2.7
166.02733	1.0
173.44441	0.5
177.09277	1.4
179.05623	4.2
193.08768	0.9
205.08777	2.0
205.12372	5.2
217.21280	0.5
217.41272	0.4
221.08125	3.7
222.08966	6.4
223.09743	11.7
223.13336	1.1
249.11317	7.2
250.11734	0.5
255.16188	0.5
267.12515	1.2
277.50302	0.5
352.20956	0.4
385.15030	23.3
386.15317	2.0
429.17877	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	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30241	0.8
55.01872	1.4
57.03442	4.1
58.00578	3.2
59.01381	100.0
60.01688	1.2
61.98819	2.5
69.64414	4.4
71.01382	36.4
72.01720	1.0
72.99310	2.4
73.02934	3.8
81.03490	1.0
83.01362	2.1
85.02950	7.7
87.00867	3.2
89.02444	39.6
90.02757	1.0
93.03455	1.5
95.01380	2.6
95.61587	0.9
96.92628	0.8
97.02927	1.4
98.19908	2.0
99.00896	1.2
99.04528	4.4
101.02448	19.2
109.02936	1.3
111.00878	1.1
111.04470	2.4
113.02435	13.0
113.30263	0.9
119.02682	1.0
119.03513	16.7
121.49699	0.9
125.02440	1.5
125.06044	1.1
130.16278	1.1
131.03464	1.7
139.04002	1.0
143.03545	2.2
145.05038	1.1
149.04472	1.8
158.11122	0.9
159.02980	1.4
161.04541	5.4
161.13374	12.7
163.03915	0.9
163.11212	0.9
169.04942	0.9
173.04543	1.8
179.05617	8.2
181.08408	0.8
187.11220	3.3
205.12323	40.1
206.12650	2.2
207.10211	4.0
207.13867	5.1
223.13263	1.3
228.49167	1.3
249.11311	47.0
250.11688	2.6
255.02927	2.6
267.12405	1.1
284.03287	2.5
285.04025	5.2
299.82114	0.9
341.15549	1.0
361.13757	1.0
385.18439	1.2
390.07138	0.9
429.08310	3.1
429.17236	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	428.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.01376	3.2
61.98831	100.0
69.03459	0.5
71.01401	1.5
71.09710	0.7
75.13525	0.3
84.36140	0.3
85.02980	0.9
87.00893	0.7
89.02460	0.7
93.03482	1.1
97.02943	0.5
99.00870	0.4
99.50539	0.3
101.02460	1.4
103.40940	0.3
106.05524	0.3
108.02177	3.1
109.02941	2.3
113.00561	0.3
113.02459	1.4
126.97144	0.3
129.05762	0.3
134.19954	0.3
135.08165	0.6
152.01137	2.9
153.01950	2.5
161.04645	0.6
163.04112	0.5
165.01932	0.4
194.26270	0.3
217.05202	0.4
218.05492	0.4
251.11403	3.2
280.19070	0.3
286.16608	0.3
310.78522	0.3
315.07187	5.2
365.14279	0.4
365.18295	1.2
385.15140	1.3
429.10388	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0827
Annotation	Chrysin 7-glucuronide
Peak:m/z	Relative Intensity
55.01868	0.6
57.03448	2.1
58.00600	0.5
59.01380	16.2
59.54422	0.3
60.26626	0.3
61.98827	2.0
62.54523	0.3
63.02399	3.2
63.68180	0.3
65.00330	1.4
67.01888	0.6
68.99801	0.6
69.03445	0.4
69.30445	0.3
71.01010	0.5
71.01382	8.0
72.99299	1.8
73.02942	0.9
75.00872	3.8
75.54079	0.3
83.01387	0.7
85.02951	18.4
86.33808	0.3
87.00857	2.6
89.02436	2.2
93.03439	0.3
95.01392	5.2
99.00880	6.6
101.02424	1.0
103.00376	2.9
107.01397	2.1
111.00864	0.4
113.02448	33.0
114.02818	0.6
115.00372	1.6
117.01902	2.6
119.05000	1.0
121.02934	1.3
125.02425	1.2
129.01947	1.6
143.05008	2.9
145.02937	1.1
149.99582	0.5
151.00345	0.9
155.99867	0.4
157.01398	0.6
163.03992	0.4
165.07095	0.3
167.04994	0.7
168.00552	0.6
169.01360	0.4
175.02467	7.7
180.05846	0.8
181.06584	0.9
185.06123	0.7
209.06087	2.9
211.03990	0.7
227.03615	0.3
253.05046	100.0
254.05389	7.2
255.03035	0.7
284.03250	1.1
285.03989	2.3
353.52951	0.3
429.08243	3.6
429.14218	1.2
429.21265	0.8
430.08643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33472	0.7
59.01382	100.0
59.49510	0.7
61.98841	1.8
69.83111	4.0
71.01361	0.8
91.04018	3.6
92.87212	0.7
97.09399	0.7
105.70342	0.9
115.81613	0.8
124.41297	0.7
179.84094	0.7
185.87560	0.8
191.55629	0.8
197.86957	0.9
275.19931	0.7
293.21240	16.6
294.21677	1.4
311.22351	0.9
407.09698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98829	3.6
69.52046	1.4
71.52525	2.5
74.41782	1.6
74.63782	1.4
76.40797	1.5
80.77840	1.7
87.21603	1.6
91.04033	4.1
120.49164	1.4
214.02498	1.7
273.93134	1.5
293.21176	18.4
333.13144	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	428.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91016	0.3
57.03435	0.6
59.01382	3.6
61.98829	100.0
63.45712	0.3
69.03486	0.4
71.01391	1.6
71.53154	0.4
72.24311	0.3
73.02942	0.6
83.01395	0.6
85.02960	1.5
85.33455	0.3
87.00887	0.9
88.98833	0.3
89.02458	1.1
93.03453	1.3
96.95994	0.3
97.03032	0.3
101.02432	2.0
103.09647	0.3
108.02168	3.5
109.02969	2.8
111.04549	0.4
113.02450	2.3
119.03447	0.4
125.02441	0.7
134.39839	0.3
135.08174	0.8
152.01138	4.0
153.01929	2.6
161.04619	0.7
165.01860	0.4
171.04372	0.3
173.04568	0.6
217.05080	0.4
218.05334	0.6
251.11288	3.3
283.11752	0.7
315.07202	6.5
315.10599	0.5
347.72580	0.3
365.18365	1.3
384.07736	0.4
385.14948	3.2
429.10266	1.4
429.14539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65239	0.3
57.03458	0.5
59.01377	100.0
60.01717	0.9
61.98837	0.5
70.72106	0.6
71.01409	0.3
81.67259	0.3
83.19663	0.3
93.03484	0.7
100.98141	0.3
115.14556	0.3
119.05023	0.5
121.02954	44.6
122.03286	1.2
125.02441	0.8
137.02359	0.3
149.99600	0.4
163.03979	0.7
168.00653	0.7
371.57785	0.3
427.12421	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03454	1.7
58.00599	1.5
59.01382	48.7
60.99310	2.6
61.98829	23.0
69.03441	1.2
70.69862	1.3
70.70200	2.0
71.01385	31.2
72.99316	3.3
73.02952	8.4
75.00857	1.3
83.01391	3.8
85.02953	11.0
87.00436	1.5
87.00880	8.0
88.98804	17.7
89.02448	24.3
93.03447	4.0
95.01418	2.0
96.96014	16.1
97.02960	1.4
98.95560	1.1
99.00869	2.1
101.02444	22.6
111.00886	1.8
111.04514	1.4
113.02447	13.1
119.03509	8.7
119.05049	4.5
125.02437	1.5
130.49780	1.1
131.03516	1.6
135.17772	1.2
137.02406	2.5
139.67088	1.3
143.03445	2.2
145.03059	1.2
149.04570	1.2
155.03482	1.2
161.04588	9.6
163.04045	6.8
173.04532	14.0
173.11713	1.2
177.05356	1.3
179.05591	3.3
191.05557	3.4
205.14403	9.8
235.06149	1.3
251.23787	1.4
265.07138	4.7
337.09338	5.5
367.19717	100.0
368.20166	8.0
409.08350	2.2
427.12524	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67405	1.2
59.01367	1.2
60.99307	13.2
67.01884	2.1
69.67158	5.9
71.01353	1.8
75.95673	1.0
88.98804	100.0
93.03463	12.8
100.18996	1.1
111.04507	2.5
119.05032	12.3
129.32950	1.2
137.02435	3.6
138.17140	1.0
155.03461	3.5
163.03998	10.2
173.04543	67.8
174.04852	2.2
191.03532	1.2
191.05571	7.2
205.51968	1.3
217.05090	2.7
281.56821	1.2
337.05301	2.2
337.09277	27.6
338.09549	2.5
404.66959	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.3
59.01362	5.4
61.98817	3.4
67.01897	1.0
69.03440	1.3
69.58349	1.0
69.87241	1.4
69.87634	2.7
71.01372	1.3
71.05003	1.3
73.02914	1.1
79.01910	1.0
81.03450	7.4
83.01382	3.1
88.98815	7.7
89.02405	1.2
93.03454	2.1
95.01373	1.0
95.05014	5.5
96.96011	5.6
97.02964	10.3
98.20630	2.1
99.04519	6.7
99.35939	0.9
109.02943	2.0
119.04945	1.1
121.02949	1.9
123.04491	3.1
124.05299	1.4
125.02450	24.6
133.06595	1.2
137.02434	18.1
139.04047	4.5
139.07626	7.8
143.04996	2.2
145.02985	1.3
146.03703	1.8
147.04488	1.4
159.04585	4.4
161.02365	1.1
161.06056	2.9
164.01100	1.1
165.01935	37.2
166.02361	1.4
167.03497	21.6
168.07861	1.7
171.04518	13.1
172.05205	1.2
173.02403	2.9
173.05931	1.2
174.03188	3.7
175.03973	3.1
177.01750	1.0
183.04564	1.0
183.30009	0.8
187.03993	26.0
187.11258	1.5
188.04749	5.2
189.05571	44.8
190.05818	2.0
191.03467	48.5
191.05553	9.7
192.03816	1.9
199.04033	7.3
200.04637	1.3
203.03394	3.5
205.12262	1.4
211.03978	4.1
215.03510	24.4
216.04028	1.8
217.05045	100.0
218.05385	5.7
225.05553	1.2
227.07066	2.4
228.04198	1.2
229.04997	4.3
235.33273	1.1
239.03456	3.0
243.02925	2.7
244.03850	1.1
245.04414	5.4
249.05606	1.2
251.07114	2.0
253.04971	2.3
254.05814	2.0
255.06523	2.8
257.04532	9.8
259.02429	2.2
269.08099	3.8
278.05746	3.7
279.06509	5.6
279.12296	2.2
280.95157	1.8
281.04373	1.2
293.08008	2.1
297.07681	8.3
303.06741	1.6
311.09369	2.2
321.07733	5.0
339.08740	3.1
347.05600	2.3
348.05737	1.1
365.06693	14.2
366.07037	2.3
383.03055	1.9
383.07669	26.7
384.07935	2.5
427.06754	1.2
427.16052	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54287	0.3
57.03446	0.9
58.49808	0.3
59.01381	2.5
59.66720	0.3
61.98548	0.4
61.98834	6.1
68.88566	0.3
69.03449	1.0
69.42172	2.3
71.01378	0.5
71.04998	0.6
73.02949	0.9
81.03481	0.6
83.05025	0.9
85.02943	0.6
87.00877	0.6
89.21901	0.3
93.03474	3.5
99.04517	53.4
100.04880	0.9
102.83652	0.3
105.58309	0.3
111.04508	4.5
115.62337	0.3
129.01959	0.5
137.02467	0.5
155.03526	4.1
173.04555	7.1
203.10727	0.4
216.49797	0.3
221.15494	1.0
233.15515	0.6
251.16513	100.0
252.16850	7.1
280.68326	0.3
425.21814	10.0
426.22086	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74250	0.8
54.48907	0.8
55.01870	1.8
57.03459	4.2
57.50976	0.8
59.01385	6.9
60.99290	2.3
61.98833	12.0
69.03459	1.6
69.63596	2.9
71.01377	3.1
71.05016	1.7
77.03961	0.9
79.95744	0.9
81.03461	6.2
83.01379	3.4
83.05028	1.4
85.02930	1.6
88.98816	8.7
89.02460	1.5
90.07351	0.8
93.03432	3.0
95.01346	0.8
95.05018	4.9
96.96011	32.3
97.02950	7.8
97.07718	0.9
98.19859	0.9
99.04533	7.1
100.53193	1.0
101.02433	2.3
106.30827	0.8
109.02964	2.3
109.26072	0.9
119.05111	0.8
121.02956	3.2
122.03706	1.0
123.04488	2.5
125.02454	25.1
126.02739	1.0
131.04985	1.3
133.06595	1.5
137.02432	18.0
137.06050	1.4
138.03220	1.5
139.04019	5.4
139.07664	6.9
143.03423	0.9
143.05069	3.2
145.02911	1.9
148.90933	1.0
151.03967	1.5
159.04512	4.2
161.02364	1.7
161.06065	3.8
163.03960	0.9
164.01138	1.2
165.01942	35.3
166.02356	1.7
167.03511	23.8
168.07916	1.4
171.04509	14.8
173.02385	4.6
173.04514	2.0
173.06033	2.3
174.03156	2.6
175.03949	4.0
187.03986	24.0
187.11252	1.7
188.04756	4.5
189.05573	44.4
190.05899	2.9
191.03479	47.6
191.05554	15.7
192.03830	1.9
199.03993	6.8
200.04659	0.9
201.01936	1.0
203.03467	3.8
205.12283	2.3
211.04004	3.7
215.03505	26.6
216.04178	1.7
217.05052	100.0
218.05440	5.3
220.03877	1.0
223.07408	1.0
225.05588	1.7
227.03467	1.7
227.07109	1.8
228.04292	1.4
229.05125	4.3
229.33667	0.8
231.02928	2.0
237.05716	1.0
239.03415	3.3
240.04268	1.6
241.05008	1.0
243.02898	3.7
244.03711	0.8
245.04520	5.6
251.07095	2.1
253.04982	1.5
254.05679	1.8
255.06578	3.0
257.04489	9.7
259.02420	3.7
269.08160	2.7
271.02466	1.8
271.06064	1.2
278.05786	2.3
279.06509	6.4
279.12384	4.3
280.95178	3.2
281.04626	1.2
287.09357	1.4
293.08157	2.1
297.07663	9.8
311.09238	3.5
311.98413	0.9
321.07559	4.6
337.09814	4.0
339.08533	2.5
347.05453	1.9
355.08109	1.3
365.06693	13.3
365.18204	1.6
366.07175	1.9
383.07724	29.2
384.08228	3.0
427.06485	2.2
427.15958	3.8
451.17810	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	15.6
59.25740	2.4
59.69950	2.7
65.15202	2.7
71.01000	2.3
71.01373	11.8
71.53645	5.3
75.00858	4.2
79.95720	4.8
85.02934	4.3
89.09096	2.5
92.07372	2.4
96.96017	14.2
97.02950	9.3
107.05033	5.0
108.05817	4.3
109.02917	5.5
111.04570	6.0
113.02431	7.6
113.06081	9.7
119.05000	5.7
122.03715	3.8
123.08121	8.8
125.06107	13.0
131.03424	2.9
135.02956	6.0
136.05247	7.4
138.06831	10.4
139.07637	28.2
149.05960	2.8
151.07645	54.9
152.04744	5.1
152.08447	25.1
153.09187	8.7
161.04526	9.2
163.03966	8.6
163.07664	6.1
167.07095	4.0
173.04510	3.9
175.02403	6.2
176.15059	2.8
177.12912	3.1
185.09727	2.6
187.33569	2.3
189.05534	3.7
189.09152	5.4
201.12840	23.3
203.10712	12.4
204.11533	25.8
205.11740	3.2
207.10233	4.2
215.35129	2.9
219.13884	52.3
220.14069	3.9
243.13882	6.2
245.11760	8.5
263.12854	100.0
264.13257	6.4
279.07184	7.8
287.12872	13.5
305.14020	5.2
425.09738	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	425.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
58.00585	4.4
59.01381	98.8
61.98837	13.5
69.63724	8.2
71.01382	53.2
72.99307	4.7
73.02945	1.5
83.01371	2.6
83.05015	3.0
85.02958	9.3
87.00849	2.9
89.02449	61.3
89.35875	1.3
95.01384	4.2
101.02443	26.8
113.02455	19.1
115.00372	1.4
117.07089	2.3
119.03493	24.6
119.08650	2.7
131.03461	3.5
143.03470	2.5
145.06664	6.1
149.04576	1.8
157.65643	1.3
159.11760	4.3
161.04530	2.3
163.03909	1.3
171.08170	11.4
175.02428	1.8
179.05591	4.1
183.11861	1.7
185.09656	5.6
186.08818	1.6
186.10484	30.8
187.10873	3.2
199.11354	5.9
201.12854	99.0
202.13197	6.7
227.07053	2.1
229.50764	1.2
245.11812	100.0
246.12193	6.7
284.98511	1.2
365.20898	1.7
425.18164	58.0
426.18539	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	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	0.4
65.76397	0.3
65.85414	0.3
68.36265	0.3
70.64214	0.6
78.95905	12.9
92.97827	0.3
93.06259	0.3
104.97449	0.6
110.98534	9.5
167.01143	10.7
168.74997	0.3
185.02159	2.6
192.36388	0.3
201.45782	0.3
255.23282	100.0
256.23642	8.1
257.58194	0.3
301.79099	0.3
309.42416	0.3
391.14713	0.3
423.25156	25.0
424.25464	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0911
Annotation	8-Deoxy-15-(3'-hydroxy-2'-methyl-propanoyl)-lactucin-3'-sulfate
Peak:m/z	Relative Intensity
57.03446	0.4
59.01374	2.4
61.98829	3.9
71.01380	1.1
71.53175	0.4
73.02973	0.3
79.95738	7.1
80.96533	0.3
85.02958	0.4
87.00849	1.2
89.02447	0.5
93.03460	2.2
95.01413	0.3
96.96012	100.0
97.95935	0.3
98.95565	0.6
101.02442	0.5
105.22601	0.3
108.02193	0.4
109.02936	0.4
110.97595	0.7
111.04536	0.3
112.43706	0.2
113.02471	0.3
115.00384	1.7
121.02961	0.7
123.00880	0.5
123.04519	0.5
124.01640	0.6
125.02460	0.7
135.04503	0.5
137.02428	2.2
150.03241	0.7
155.03458	0.3
163.03995	0.3
164.04799	0.4
165.05568	0.5
167.07210	0.3
168.00674	0.3
173.04555	5.1
174.04871	0.5
175.02446	2.6
175.56952	0.3
177.05577	0.7
180.04268	0.3
180.08003	0.3
191.05617	1.0
193.08653	0.3
195.65091	0.2
209.08086	0.3
221.08125	0.6
227.03430	0.3
244.00471	0.4
245.01263	0.7
255.06636	0.7
269.08289	1.2
283.09775	0.3
286.08441	0.5
299.09439	0.3
300.10022	3.5
301.10779	1.6
312.10123	0.4
315.12390	2.5
316.12634	0.3
345.13474	1.5
352.97467	0.3
365.21591	0.5
425.09131	43.1
426.09540	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	423.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.5
57.03453	4.6
58.00595	1.0
59.01380	28.2
60.01686	0.4
61.98820	3.2
64.12826	0.4
67.01890	0.5
68.99787	0.6
69.03427	0.7
69.49809	1.3
69.50224	1.3
71.01382	41.1
72.01719	0.5
72.99316	2.0
73.02946	23.8
75.00878	0.7
81.03438	0.6
82.60521	0.4
83.01391	10.0
85.02950	23.7
86.00085	1.3
86.03239	0.4
87.00867	2.3
89.02448	8.0
93.03455	1.7
95.01407	3.2
96.01787	0.4
97.02963	2.2
98.19925	0.8
99.00879	11.9
101.02444	41.8
102.02785	0.6
103.00378	3.0
106.68243	0.4
111.00872	3.5
113.02450	16.3
120.40994	0.5
125.02428	2.0
127.11247	0.6
129.01912	2.0
129.12869	0.7
131.03494	1.7
143.03487	1.7
149.04515	0.7
156.89131	0.4
159.02994	3.4
161.04556	16.2
161.05907	0.9
173.04500	3.3
183.67015	0.4
187.11240	0.6
191.05603	3.0
199.13403	0.6
205.12422	0.7
218.19264	0.4
249.11351	1.3
265.78534	0.4
269.83304	0.4
291.18130	54.1
292.18460	3.6
335.11395	0.8
423.22345	100.0
424.22729	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	25.0
60.97725	2.5
61.98830	19.1
71.01379	11.8
71.52904	2.3
71.53331	3.6
75.00869	2.7
80.49361	2.1
85.02951	5.7
87.00862	3.9
89.02423	6.6
93.03465	4.4
96.96032	11.1
101.02425	6.4
106.23251	2.1
113.02470	4.9
119.03481	2.8
119.04951	2.6
125.02429	4.1
128.99301	3.6
137.02440	3.8
142.01695	3.1
150.03267	3.0
151.00327	4.9
161.04570	2.3
163.03993	2.8
165.05563	10.1
173.04584	3.8
177.01872	2.5
178.99860	4.1
196.25494	2.1
201.01872	4.3
208.99126	2.6
229.01448	23.5
254.99298	3.7
257.00998	13.1
267.08694	4.3
285.00534	5.7
285.03973	7.7
297.00815	4.5
307.08398	2.1
309.04108	4.0
333.03925	4.0
337.03342	2.4
363.20374	5.7
423.03418	43.7
423.08383	4.0
423.17868	100.0
423.22119	3.8
424.03894	6.2
424.18314	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.9
58.00586	2.5
59.01379	86.1
61.98832	7.1
67.11230	1.3
69.31966	4.3
69.32388	6.0
71.01383	39.0
71.01780	2.1
72.99307	2.6
73.02946	8.6
75.00871	2.2
78.27069	1.3
83.01401	4.0
83.72347	1.4
85.02950	16.0
86.47540	1.2
87.00875	6.3
87.04552	1.5
89.02444	29.7
93.03461	1.8
95.01417	3.1
95.05038	1.8
96.96009	4.4
96.96960	2.5
97.06589	6.6
99.00913	2.7
101.02444	32.6
109.02905	2.2
111.00920	1.4
113.02441	16.9
116.92867	2.3
119.03483	11.2
125.02428	3.2
131.03551	1.6
141.09248	1.3
143.03534	3.1
149.02443	1.9
150.03242	2.7
159.03027	2.1
159.06618	10.0
161.04567	14.1
165.05634	2.2
165.09279	1.8
169.01465	1.8
179.05589	3.8
201.11375	8.9
212.06868	1.5
232.07140	1.2
248.24185	1.3
270.82263	1.2
287.10614	1.3
291.11133	2.9
309.11920	14.3
310.12305	1.6
349.51950	1.7
363.16577	100.0
364.16974	6.8
371.58566	1.4
387.16235	1.5
423.09863	7.5
423.14441	2.6
423.19144	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	423.166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38176	0.6
59.01371	1.9
59.53516	0.6
60.46757	0.6
61.98813	1.2
67.01917	0.8
70.18589	1.3
70.18952	1.1
70.28004	0.6
70.68095	0.5
71.01392	1.4
76.60817	0.5
78.40665	0.5
78.48376	0.5
81.03439	1.4
81.07116	3.4
83.05035	3.3
85.02950	3.2
87.00867	1.0
93.03460	6.7
93.40005	0.6
98.20607	0.8
99.04517	4.4
105.07132	0.9
109.02983	0.7
111.04520	7.0
127.04011	1.3
129.01898	1.0
137.02478	1.1
155.03490	8.3
161.13361	23.8
162.13715	0.6
169.36453	0.6
173.04550	15.3
187.11227	1.0
191.05598	21.1
192.06026	0.6
205.12326	100.0
206.12685	5.8
243.73808	0.5
249.11324	29.6
250.11603	2.1
289.07178	1.4
354.03577	0.7
387.14365	1.2
423.16595	19.9
423.22327	1.0
424.16959	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	423.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	57.2
61.09788	4.6
61.42176	3.9
61.98835	6.9
67.87209	4.5
69.51974	12.7
69.52396	15.2
71.01371	28.6
72.41682	4.1
73.02923	5.1
85.02938	8.5
89.02435	32.4
96.96011	6.4
101.02438	24.1
113.02460	10.8
119.03488	13.6
120.99664	7.3
125.02438	6.4
137.02441	8.7
144.04120	4.6
173.04521	5.2
176.82652	4.7
309.11929	100.0
309.15433	7.7
310.12357	4.9
335.05795	7.7
423.18085	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	423.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
58.00588	2.2
59.01380	60.8
61.98823	4.2
69.03461	0.7
71.01382	30.7
71.51949	0.5
71.52408	1.3
72.99316	4.0
73.02952	4.5
73.52114	0.6
73.56444	0.6
74.02470	1.1
83.01390	2.6
84.65173	0.6
85.02952	7.6
86.25094	0.7
87.00879	2.5
87.04519	2.5
89.02444	30.9
95.01389	2.8
96.96011	1.8
97.06577	0.7
98.95570	0.9
99.00883	0.9
101.02440	21.3
109.02935	1.2
111.00903	2.5
113.02445	16.9
119.03503	14.6
120.99660	2.4
128.03558	1.6
129.05569	1.7
131.03510	3.5
143.03557	1.3
143.04634	1.7
144.05008	1.0
149.04492	0.7
159.03047	0.7
159.06569	1.0
161.04587	6.0
163.11279	2.0
165.05531	1.0
179.05643	2.9
195.06662	1.4
201.11356	1.9
209.22983	0.8
229.01350	0.7
243.12402	1.5
261.13431	2.6
271.07932	0.7
306.07706	1.4
307.07916	2.8
308.07254	0.7
309.11905	100.0
310.12241	6.3
329.10394	0.7
363.16550	2.9
387.16611	9.9
423.03351	1.7
423.14816	10.0
424.15292	1.4
426.10880	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98074	1.0
54.82060	1.0
55.04477	1.0
57.03445	1.8
59.01373	4.3
60.87359	1.0
61.98829	1.3
69.03455	1.1
69.20750	6.9
69.21175	3.1
71.01389	1.5
78.91963	0.9
81.03439	1.6
81.07095	2.8
83.05026	2.4
85.02961	1.6
87.00873	2.3
93.03465	13.0
99.04507	5.4
107.13638	1.1
111.04527	8.5
127.03934	1.2
135.04524	2.0
137.02440	1.7
148.09698	1.0
150.72246	1.0
155.03540	8.3
161.13362	17.0
162.13611	1.3
163.77776	0.9
173.04544	48.8
174.04895	1.5
187.11253	2.4
191.05650	10.6
191.64717	1.0
205.12329	44.0
206.12616	2.0
228.07043	1.0
249.11311	100.0
249.15257	2.6
250.11598	6.7
288.93134	1.0
312.08920	1.0
332.89612	1.0
409.48276	1.0
423.16556	29.4
423.21747	1.9
424.16602	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	422.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62893	1.6
57.56048	1.4
57.83048	1.3
59.01381	100.0
60.01712	23.1
61.01804	27.6
61.98834	20.1
62.02131	2.5
72.95216	1.3
75.17550	1.4
82.83086	1.3
98.20688	2.8
104.13235	1.3
136.49013	1.4
168.62747	1.4
231.65842	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	422.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20959	0.3
59.01392	3.7
61.98831	100.0
63.24681	0.3
71.01389	1.1
73.02943	0.6
85.02969	0.5
93.03526	0.4
98.20668	0.9
101.02445	1.0
107.01350	0.3
109.02954	0.9
151.00381	0.5
157.84799	0.3
161.04611	0.4
161.61322	0.3
165.02129	0.3
191.05621	0.6
229.07751	0.4
233.00328	0.4
249.15150	0.6
291.18192	1.0
300.05893	0.5
314.06247	0.5
362.29901	0.9
423.22476	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	421.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01713	1.1
62.18887	0.6
67.30009	0.5
70.79506	1.0
70.79835	1.1
90.77892	0.7
91.51395	0.5
116.92918	0.6
117.47677	0.6
133.87909	0.6
141.97394	0.6
225.99493	0.7
319.23047	1.1
421.29727	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75782	1.5
58.02971	6.2
59.01381	26.3
63.78530	1.6
69.18130	6.7
69.18558	8.4
71.01382	4.9
72.00906	2.3
74.02473	17.1
82.95418	1.8
83.92326	1.7
84.95139	1.8
86.02483	5.8
87.05653	2.8
89.02451	4.6
90.00198	1.6
95.05009	1.7
97.06590	13.9
98.56511	1.5
99.05637	14.5
101.02439	3.6
113.02422	1.6
115.07673	3.4
119.03490	2.1
126.01936	1.6
127.05198	2.7
128.03531	41.3
129.81212	1.5
135.05624	3.2
140.92082	1.6
141.06679	4.0
143.04623	54.7
145.06186	3.6
146.04550	4.2
153.06697	3.8
159.06630	19.9
160.00723	15.0
166.09816	1.9
167.04684	2.4
177.03394	3.8
179.04602	10.2
185.05743	2.0
210.08818	7.0
215.71490	1.7
248.15865	2.1
254.07816	13.8
261.65085	1.6
272.08890	19.0
273.09012	2.5
288.06604	8.1
291.10852	4.5
306.07648	100.0
307.07819	6.1
309.11996	2.6
387.16754	2.9
404.14935	3.9
422.20996	2.7
423.15097	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	422.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43203	0.5
54.31842	0.5
57.03460	1.5
57.33046	0.5
58.05036	0.6
59.01381	12.0
60.01722	0.9
61.77410	0.5
61.98833	100.0
65.91595	0.5
69.81444	2.0
69.81859	1.2
71.01392	2.1
71.53848	0.5
73.02956	1.3
80.22778	0.5
85.02979	1.5
89.02448	0.7
93.03469	1.5
95.01357	0.7
98.19992	1.0
99.00928	0.9
100.27843	0.6
101.02470	1.8
111.00900	1.0
111.69795	0.5
113.02470	1.5
114.50378	0.6
119.05045	1.7
123.04563	1.0
125.02467	1.1
135.04472	0.9
137.02495	0.9
147.27335	0.5
155.03560	0.7
161.13371	0.8
163.04045	1.4
173.04550	2.5
191.05608	3.9
205.12358	1.1
223.09920	1.1
224.10121	0.9
228.07727	0.5
249.11377	2.5
263.81714	0.6
274.61624	1.4
289.07248	1.1
291.18295	1.4
292.89783	0.5
296.23102	0.5
314.51392	0.6
362.30060	0.9
423.16669	1.8
423.22549	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33295	0.7
55.01888	1.3
57.03454	1.3
58.00583	4.3
59.01377	100.0
61.65018	0.6
61.98823	3.0
69.74915	3.7
70.73740	0.7
71.01381	56.5
72.99303	3.7
73.02951	1.2
83.01397	1.5
85.02952	9.3
87.00857	4.1
87.04533	1.0
89.02443	87.6
93.03437	0.8
95.01397	4.0
101.02440	30.5
109.02940	0.8
113.02446	30.5
119.03497	39.8
125.02454	1.2
127.07653	46.0
128.08022	1.5
131.03511	5.9
143.03502	9.2
149.04567	2.5
161.04550	10.3
173.04619	0.8
179.05606	41.5
180.06021	1.0
217.08839	0.7
236.36739	0.8
261.75134	0.7
289.16647	0.9
300.77332	0.9
307.13971	53.2
308.14359	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76968	0.8
52.35890	0.8
59.01360	1.1
71.52251	0.8
71.52618	1.4
75.21501	0.9
78.95906	7.5
80.91663	2.6
80.96526	1.2
110.98535	12.8
130.09019	0.9
134.63530	0.8
163.11285	100.0
164.11618	4.1
167.01149	2.8
185.02199	23.1
189.79297	0.9
253.21719	7.2
266.01239	0.9
339.23270	76.7
340.23633	7.3
421.23553	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	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73927	0.5
59.01366	1.0
61.98821	0.7
64.83044	0.4
69.80218	2.3
75.79819	0.5
78.95900	29.9
80.96515	0.6
110.98530	49.0
152.99567	3.8
167.01169	1.1
172.85010	0.5
183.70441	0.5
185.02191	100.0
186.02527	2.0
201.19525	0.4
217.41884	0.5
253.21701	27.8
254.22054	2.3
293.17068	0.5
331.04190	0.5
421.23697	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	421.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01721	1.1
66.59364	0.2
70.02258	0.5
70.02603	0.8
76.09613	0.2
100.58823	0.2
164.43037	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94888	3.3
57.03441	3.7
57.31774	3.0
59.01386	41.6
59.08206	2.9
61.98834	16.7
71.01391	11.8
71.05019	4.6
71.52784	3.1
82.83021	3.2
85.02943	12.7
87.00908	7.3
89.02472	10.5
96.95979	6.4
99.92613	3.3
101.02444	7.3
104.02862	3.1
113.02464	6.6
115.40865	3.4
116.92907	15.6
125.02470	9.4
129.02014	4.4
143.07129	32.7
149.04521	4.0
149.56978	4.4
173.04559	5.5
208.99117	5.2
232.83044	3.4
244.52914	3.6
253.04680	4.7
259.06143	5.0
289.16541	8.1
305.99408	3.2
317.01193	6.8
361.18695	4.9
377.18243	20.1
404.04468	6.5
421.16318	100.0
421.20837	5.3
422.16547	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	421.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85998	0.4
57.03437	1.5
59.01376	9.9
61.98832	23.9
65.00298	0.4
71.01377	1.8
81.03464	3.0
81.03878	0.5
83.01392	0.8
85.02943	0.8
85.73589	0.4
87.10577	0.4
89.02448	0.9
93.03441	0.9
101.02412	1.0
108.25223	0.5
113.02467	0.6
115.07636	0.9
119.04951	0.6
122.03740	0.7
125.02435	6.7
126.02871	0.5
137.02464	0.9
137.09727	1.7
139.07640	2.8
142.86845	0.5
149.02443	0.8
151.00345	1.2
163.03970	0.6
179.10774	19.7
180.11072	1.1
194.60345	0.5
194.98401	0.5
205.08621	0.8
207.10249	0.6
219.10370	0.6
223.09746	100.0
224.10095	7.7
229.14569	0.6
244.27991	0.5
247.09666	0.4
265.10626	0.9
274.11502	1.3
361.22391	0.6
361.28635	0.8
385.15033	11.7
386.15356	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	420.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50942	0.3
57.03453	0.5
59.01382	4.6
60.47201	0.3
61.37443	0.4
61.98832	100.0
70.07803	1.3
71.01397	0.8
76.19454	0.3
77.74551	0.3
83.01353	0.3
87.00881	0.4
89.02431	0.4
93.03444	0.6
101.02483	0.6
104.81104	0.3
116.78748	0.4
119.05037	1.0
125.02455	1.2
133.20665	0.3
137.02455	1.4
149.02525	0.4
159.98366	0.4
163.04037	1.3
173.04536	0.4
269.16586	0.3
271.06281	0.8
278.84921	0.4
289.07263	1.1
310.03491	0.3
407.11020	0.4
416.84247	0.3
420.27167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85284	0.4
52.99636	0.4
57.03448	0.8
58.32628	0.3
59.01382	14.6
61.98535	0.6
61.98832	7.5
63.42086	0.4
69.03466	0.7
69.31329	0.8
69.31733	3.0
71.01389	1.5
76.00887	0.4
81.03457	2.2
83.01382	0.5
85.02957	1.1
92.12461	0.4
93.03465	1.7
95.01395	3.0
97.02951	1.0
98.20641	0.8
99.00835	0.5
101.02457	1.1
105.03496	0.4
107.01392	2.1
109.02952	1.1
111.00857	0.6
111.04505	0.7
119.05043	2.1
121.02965	1.5
123.00890	2.7
123.04548	0.6
124.01674	1.1
125.02457	7.7
133.03006	0.6
135.04472	0.4
136.01646	0.6
137.02451	3.3
141.01904	0.7
142.92221	0.4
145.03003	0.6
149.02428	1.3
149.99590	64.2
151.00378	11.3
151.03969	0.6
153.12778	0.4
163.02632	0.9
163.04007	2.0
165.01907	1.9
167.14389	0.7
169.01401	0.5
173.04541	0.7
174.69865	0.4
177.01920	1.0
179.03493	0.4
179.10844	0.6
182.59206	0.4
191.03485	0.4
191.05553	0.7
193.01338	1.8
202.06384	0.4
223.09802	2.9
229.14462	1.5
231.10287	2.6
247.09641	0.4
251.01266	0.4
260.94534	0.4
274.11389	1.7
274.61743	0.5
275.09055	0.6
313.05649	100.0
314.06039	6.5
331.06711	0.5
361.29697	3.5
421.11276	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	420.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.9
60.01704	0.6
60.07459	0.3
61.98831	100.0
66.87852	0.2
70.71536	0.8
73.68743	0.3
88.56190	0.3
93.03468	0.4
120.99716	0.3
125.02433	0.6
138.92456	0.3
151.07674	0.7
163.04050	0.4
175.26500	0.3
195.06596	5.1
195.08273	0.4
210.12224	0.3
214.06633	0.3
227.12991	1.2
228.13297	1.5
287.14969	1.7
288.15329	4.0
288.18292	0.4
298.55981	0.3
319.40857	0.3
357.12027	1.0
420.19638	2.2
421.20020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.4
59.01381	13.7
60.01689	2.2
61.98831	100.0
69.03466	4.3
70.11714	3.0
70.26420	0.8
71.01376	3.1
71.05007	1.2
73.02949	1.4
75.00330	0.7
78.20707	0.7
82.22031	0.8
83.01382	0.9
83.05012	0.8
85.02965	1.3
85.92969	0.7
87.00845	1.2
89.02425	1.5
93.03461	2.4
98.19910	0.9
101.02428	2.4
111.04498	1.4
111.08141	0.9
125.02441	1.1
137.02405	1.4
139.11253	5.8
153.01939	2.2
154.02266	1.1
155.03448	2.1
161.04535	1.1
163.04077	1.1
173.04552	4.0
174.04807	0.8
177.52481	0.9
183.10260	33.8
184.10648	1.9
186.63451	0.9
191.05530	1.2
214.96193	0.8
246.39728	0.8
357.15533	20.0
358.15952	1.9
421.16025	1.2
421.20755	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	419.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01721	0.9
61.98850	0.8
71.16292	0.5
74.71468	0.3
88.16282	0.3
93.46751	0.3
127.74034	0.3
146.08891	0.3
172.62305	0.3
213.56175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17289	1.1
56.01598	1.2
57.03450	3.5
59.01381	100.0
60.01704	1.2
61.98828	7.5
71.01385	6.2
71.05018	1.4
73.02930	2.8
83.01363	1.3
85.02945	2.9
87.04511	2.9
89.02445	2.4
93.03451	3.0
99.00896	1.5
101.02442	5.0
109.02965	1.9
119.04968	2.2
121.02972	1.9
121.10213	7.5
137.02440	2.6
142.41983	1.3
143.10753	2.2
157.12308	1.8
163.04008	5.2
167.10696	1.9
173.04524	2.0
183.13800	1.3
183.44199	1.2
201.15002	14.3
257.07147	2.3
285.03983	1.5
299.25946	2.2
359.28024	54.6
360.28323	6.2
419.20541	1.8
419.26434	5.3
419.70026	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	419.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01719	1.1
70.09845	0.8
70.16994	2.6
85.62748	0.8
99.68453	0.9
107.72034	0.8
153.03378	0.8
173.84370	1.1
215.65071	0.9
233.68205	0.9
253.47951	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
58.00602	0.5
59.01381	100.0
60.01700	1.0
61.98832	1.9
69.34752	2.1
69.35151	1.4
71.01382	6.3
73.02947	0.6
85.02951	1.2
87.00893	1.0
89.02440	8.6
89.02938	0.6
93.03481	1.1
97.06613	1.7
101.02447	3.9
113.02441	3.3
119.03531	4.1
119.05018	3.4
131.03564	1.0
134.13609	0.4
136.05424	0.5
143.03511	0.8
145.02966	0.6
151.03981	0.6
153.12849	17.6
154.13287	0.8
161.02464	0.5
161.04536	1.4
163.03975	3.3
163.89539	0.5
165.12859	1.0
168.04289	0.7
168.26468	0.5
173.04607	1.0
179.05580	2.5
179.10770	5.0
183.13940	1.6
197.11830	35.0
198.12213	2.2
209.08232	1.1
227.13022	1.4
261.20132	0.5
273.10559	2.5
284.45270	0.5
326.16931	0.6
359.17395	0.5
383.11877	0.8
383.17175	0.7
419.30652	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20246	0.3
57.03450	0.6
59.01382	100.0
60.01706	1.0
61.98839	2.2
69.03432	0.4
69.49954	2.1
71.01377	3.1
71.05016	0.3
73.02966	0.5
78.73486	0.3
83.01447	0.5
83.59711	0.3
85.02966	1.1
87.00883	0.6
89.02454	3.7
92.14553	0.4
93.03454	0.5
97.06622	1.2
98.20642	0.4
99.08173	0.5
101.02434	2.0
108.50146	0.3
113.02486	1.6
119.03519	1.4
125.02485	0.5
153.01894	1.9
153.12854	18.7
154.13258	1.0
163.04074	0.7
165.12854	0.5
170.86060	0.3
173.04567	0.4
179.05658	0.8
179.10793	6.1
180.11130	0.5
195.03065	0.4
197.11835	40.2
198.12155	3.2
221.08211	0.9
227.12920	0.5
243.92288	0.4
359.27841	0.4
419.26733	0.9
420.20862	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92866	0.7
55.01864	1.4
55.45685	0.9
57.03440	3.3
58.00586	1.4
59.01380	51.1
60.64458	0.9
61.98825	3.8
69.03436	1.4
69.39585	6.2
71.01385	25.9
72.99324	2.7
73.02945	4.3
75.00874	2.8
81.03456	3.6
83.01378	5.1
83.05041	1.7
85.02956	11.6
87.00890	3.8
87.04526	2.2
89.02448	19.2
93.03466	7.8
95.01378	1.9
95.05053	2.0
96.95990	1.7
97.02965	1.1
97.06605	1.6
99.00861	1.6
99.04548	1.7
101.02454	17.7
103.00349	1.4
109.02947	2.5
111.00887	1.4
111.04508	1.2
113.02451	10.3
119.03513	6.5
119.05017	3.0
120.99644	1.0
123.04519	2.1
125.02446	12.3
128.03517	1.1
129.01950	1.3
131.03488	3.1
133.06610	1.3
135.00920	1.1
137.02448	8.3
138.03212	2.4
139.03992	2.0
142.61314	0.9
143.04620	1.4
151.11253	1.3
153.01938	5.9
155.03529	3.0
161.04553	2.4
163.03943	2.0
163.07619	1.7
165.01918	4.1
166.02734	1.6
167.03503	8.6
173.04553	15.3
175.02357	1.8
177.12843	20.3
179.05714	1.2
189.09236	1.5
191.05656	4.6
205.05090	1.3
207.10330	1.7
217.68149	1.1
221.11839	2.8
233.08246	1.3
239.12892	2.1
245.06430	1.1
245.14000	1.4
257.04568	1.0
262.28964	0.9
281.09335	1.2
287.15067	5.9
306.07806	1.4
327.08865	1.4
331.14087	1.4
351.64450	1.0
357.13498	3.0
359.11584	1.5
359.17130	3.1
373.13245	1.8
375.14291	2.9
401.12347	3.1
401.18201	11.6
402.18481	1.5
404.14642	1.5
419.19238	100.0
420.19562	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	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26592	0.4
56.31260	0.4
56.36577	0.4
57.03443	1.6
59.01379	82.0
59.47617	0.4
60.01709	1.1
61.98829	37.7
62.88623	0.4
71.01373	0.7
73.02966	0.6
83.06148	0.5
85.02929	0.8
87.00884	1.0
93.03481	0.6
97.06588	0.9
99.04497	2.2
117.23213	0.4
125.02479	0.6
131.03481	0.5
137.02455	0.5
140.55557	0.4
149.04529	1.1
150.56502	0.4
165.12834	1.3
166.00987	0.5
167.10765	1.0
173.04611	0.4
181.20265	0.5
191.05603	0.8
195.06664	2.1
197.11554	0.4
207.13857	3.0
209.11842	8.6
215.33864	0.4
225.14934	4.7
226.61874	0.5
227.12889	41.6
228.11079	0.4
228.13190	2.3
251.12849	1.6
269.13934	8.9
270.14175	0.8
287.14996	100.0
288.15329	9.1
333.04398	1.1
339.37637	0.6
357.11661	0.8
419.19202	31.9
420.19507	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	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.3
59.01379	72.8
60.01718	0.8
61.98831	11.9
69.54549	3.1
71.01386	0.6
73.02967	0.5
87.00892	0.6
89.63898	0.4
98.20638	1.0
99.04525	2.0
122.72848	0.4
125.02457	0.6
133.79616	0.5
149.04549	1.6
165.12843	1.7
167.10925	0.5
195.06631	0.9
207.13940	2.7
209.11816	8.0
225.14944	4.1
227.12878	42.0
228.13229	2.4
251.12897	1.5
269.13937	9.5
270.14270	0.9
287.14996	100.0
288.15356	6.6
333.03775	0.5
337.87933	0.5
408.84933	0.5
419.19183	28.4
420.19595	3.1
421.94739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.9
59.01380	39.1
61.98823	1.8
69.03468	2.1
71.01389	4.6
73.02951	2.5
81.03470	1.4
83.01384	1.5
83.05024	2.9
85.02930	3.3
87.00891	9.1
89.02443	3.0
93.03443	8.3
95.05009	1.3
99.04544	1.0
101.02436	1.9
111.04504	6.4
113.02441	4.1
119.05018	1.6
125.02460	6.9
127.03958	1.4
129.01950	2.5
131.03497	1.3
137.02434	5.6
138.03258	1.4
139.04019	2.6
153.56467	1.2
155.03490	6.2
163.04054	1.5
163.05342	1.1
165.01898	1.5
165.12840	5.9
166.02744	1.9
167.03467	3.9
173.04549	19.8
173.06032	1.3
174.03114	1.2
177.05611	1.7
177.09193	2.2
179.03249	1.0
183.13899	36.2
183.78958	1.3
184.14159	2.1
185.11821	100.0
186.12151	3.7
189.09203	1.2
190.04558	1.2
191.05559	3.3
205.05028	2.4
207.10214	1.5
209.11821	1.8
227.12903	10.9
229.13153	1.2
243.15964	2.0
245.13924	87.0
246.14214	2.9
257.11719	1.5
281.04343	1.1
287.14996	8.4
287.18042	1.8
289.50446	1.2
303.05084	1.2
305.12354	1.5
309.38837	1.0
313.07086	3.7
327.08752	2.7
344.08972	3.7
357.13458	1.8
358.10577	8.0
359.11353	13.4
360.11926	1.3
373.12900	12.3
389.12347	3.1
404.14694	11.0
405.15079	2.2
419.19318	82.2
420.19629	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	419.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	5.2
58.02972	3.9
59.01384	100.0
61.98826	4.7
69.14668	21.1
69.46882	1.8
71.01384	68.9
72.99316	5.3
73.02953	2.3
74.02477	7.4
78.91887	8.3
85.02950	9.2
86.93576	2.1
87.00874	7.1
87.04539	2.2
89.02450	80.9
91.40273	2.6
95.01411	3.6
96.96033	10.2
99.05647	7.3
101.02455	40.6
108.02190	4.9
109.02987	2.8
113.02445	29.9
119.03512	37.1
120.99708	2.7
124.01703	2.9
125.02446	9.5
125.03391	1.8
128.03555	21.3
131.03506	7.3
135.04507	2.8
137.02435	4.6
137.07249	1.9
143.03506	8.7
143.04633	28.3
149.02391	4.5
149.04596	5.1
151.04042	2.6
152.01163	5.1
155.37650	2.2
160.00751	5.5
161.04617	9.6
164.04794	35.0
167.03345	3.3
177.03410	2.6
179.05608	22.9
179.07156	41.3
180.07399	2.7
182.05902	4.1
197.08167	4.0
210.08777	6.6
245.74905	2.1
254.07843	5.1
272.08862	10.6
277.95242	2.1
281.06549	2.4
301.36206	2.4
303.05096	2.3
306.07678	56.0
359.13528	11.7
379.42987	2.2
419.10822	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	419.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.5
59.01381	100.0
61.98827	4.7
67.01880	2.7
70.49536	2.0
71.01384	43.4
72.99289	4.6
73.02941	6.7
83.01377	7.0
85.02946	14.6
87.00885	3.9
88.21576	2.2
89.02451	25.4
93.03461	4.9
95.01382	2.6
96.95983	3.2
97.02986	3.4
99.04476	2.5
101.02451	26.2
106.69686	2.4
111.04466	2.2
113.02476	15.7
115.35297	2.1
119.03478	8.2
119.05032	5.4
122.03735	4.2
125.02423	7.0
137.02423	6.7
138.03230	2.4
148.10629	2.1
154.99918	2.2
155.03493	2.0
161.04570	3.5
163.04021	6.1
165.05594	3.6
167.03493	11.0
173.04526	9.7
176.16400	2.3
179.07083	5.0
182.05859	12.1
191.05571	7.1
197.08176	28.7
327.10855	44.8
357.13535	2.5
359.13452	74.0
360.13544	4.1
375.14420	6.1
405.17972	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	419.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.6
58.00603	4.4
59.01379	100.0
69.14346	15.2
71.01008	3.0
71.01384	42.4
72.99312	2.6
73.02949	2.5
85.02961	8.2
87.00865	3.6
89.02441	62.8
93.03426	3.1
101.02438	25.0
112.03353	1.9
113.02464	19.9
119.03501	29.0
120.99667	4.0
128.14438	2.1
131.03511	3.9
143.03497	4.6
146.03728	14.4
148.86411	1.6
161.04552	6.7
161.06076	5.0
164.04808	9.6
165.05299	1.6
173.04547	5.4
174.97850	2.1
175.27559	1.9
179.05602	15.4
179.07129	45.9
180.07550	2.3
182.05817	2.3
197.08176	5.1
267.11258	2.0
327.11017	2.5
334.82269	1.7
350.50937	1.7
359.13440	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	419.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	15.8
59.01115	3.1
59.01380	46.4
61.98829	18.6
69.03448	4.3
69.39990	16.2
69.55231	2.0
69.63334	1.8
71.01382	23.9
71.04997	2.4
72.99290	4.3
73.02943	10.4
76.60039	1.7
78.45218	2.0
81.03452	7.9
83.01363	12.3
83.05025	5.2
83.77378	2.2
85.02966	19.1
86.65565	2.0
87.00864	7.8
87.04507	3.0
89.02467	10.3
93.03484	11.8
95.05003	5.5
96.96009	22.8
96.96915	2.2
97.02962	6.6
99.00881	7.3
99.04507	4.0
101.02441	20.1
103.00349	2.9
107.05061	2.6
107.08687	2.2
109.02953	21.0
113.02431	10.4
114.87025	2.0
119.05002	4.7
121.02968	3.2
123.04491	5.8
125.02450	83.8
126.02724	3.6
129.01918	4.3
133.06612	4.9
137.02455	24.7
137.06032	2.6
138.03172	7.7
139.03998	5.7
143.04974	2.1
143.07143	11.4
147.02995	17.9
149.02357	2.4
151.03969	5.3
153.01907	3.4
155.03488	2.6
159.03009	3.5
161.02525	2.7
161.04503	8.7
161.05875	2.7
161.09708	7.9
163.03973	5.5
163.07660	11.5
165.01918	14.5
166.02666	8.7
167.02196	2.7
167.03508	35.5
168.03865	2.2
173.04547	19.7
175.04016	2.1
178.02333	2.0
179.03497	4.3
183.10248	11.3
187.04112	3.7
189.09210	11.4
191.05600	5.1
199.03957	2.0
203.07094	4.6
205.05016	7.8
207.10254	100.0
208.10547	3.4
213.05568	2.3
217.08490	2.3
219.10220	3.1
221.08124	2.3
231.10313	4.9
245.08235	5.6
249.13348	7.6
259.06085	4.7
269.04745	2.3
271.06540	2.3
281.09302	4.7
285.03928	3.6
285.07385	2.7
285.14761	2.7
287.05588	3.4
287.14911	5.4
289.07095	17.7
293.12421	4.2
299.10370	3.9
303.05063	11.2
304.05618	3.7
313.10999	2.5
319.17627	3.5
319.63177	2.1
339.12149	5.8
357.13358	22.8
358.13702	2.3
375.14279	6.6
377.18176	8.6
381.17673	45.9
382.18039	5.4
383.11044	4.5
383.18036	6.8
401.12204	9.1
401.16962	2.7
419.10437	9.4
419.15070	2.9
419.19199	27.0
420.19702	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	419.1348
Annotation	Davidioside
Peak:m/z	Relative Intensity
54.32348	0.4
55.65717	0.4
57.03445	0.8
59.01376	6.3
61.98833	0.8
62.78942	0.5
65.03969	4.1
67.01900	0.6
71.01382	5.9
71.53648	0.7
72.01733	1.3
73.01813	0.6
73.02945	1.8
83.01381	1.1
84.02155	0.4
85.02960	6.3
87.00891	0.8
89.02460	1.0
91.01897	0.8
93.03462	4.6
95.01397	0.5
101.02457	2.8
102.02796	0.7
107.05028	7.7
109.02958	6.9
113.02470	2.0
114.02814	0.5
119.05009	3.5
120.76446	0.4
120.99563	0.5
122.03770	1.0
123.51008	0.4
125.02444	1.2
128.09561	0.4
129.01900	0.5
135.00896	1.5
137.02391	0.9
145.02887	0.5
150.03209	0.9
151.04007	100.0
152.04343	4.1
153.01947	1.9
159.02902	0.9
159.04457	0.6
160.05290	1.5
161.04565	3.1
161.05795	0.7
162.04912	1.6
163.03981	4.7
163.05109	0.7
164.04384	0.7
168.04291	1.6
168.54515	0.8
173.04550	2.0
173.05894	0.5
175.07620	1.6
178.06352	0.7
182.72098	0.5
191.02007	2.3
191.05603	1.0
193.05148	0.5
224.92644	0.5
257.08191	62.7
258.08508	4.9
271.59216	0.6
272.09753	2.7
272.59973	0.7
287.04944	0.6
329.13953	5.2
330.14249	0.6
332.69897	0.5
338.88284	0.6
418.25287	0.7
419.09210	1.1
419.26718	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	419.1345
Annotation	Gnetifolin E
Peak:m/z	Relative Intensity
52.40396	0.4
57.03426	0.8
59.01378	8.8
61.98799	1.1
62.19599	0.3
62.21999	0.5
70.54334	1.1
71.01390	2.4
72.72538	0.4
72.99305	0.5
73.02914	1.0
74.59505	0.4
79.79895	0.3
83.01351	0.5
85.02933	1.5
87.00881	3.1
87.04485	0.5
87.62583	0.4
89.02415	1.3
90.90778	0.3
93.03410	1.2
98.20586	0.4
99.00838	1.0
101.02433	2.3
113.02412	1.4
119.04990	1.4
120.99612	0.7
122.03777	0.4
125.02407	0.8
131.64043	0.3
137.02426	1.4
151.04053	0.6
155.03491	0.4
161.04488	0.9
163.03923	1.2
165.01906	0.4
166.02673	0.4
167.03525	0.5
172.05246	1.2
173.04514	1.0
173.05873	0.4
180.05820	0.9
185.06097	1.7
191.05632	0.5
196.05260	0.6
197.06100	2.3
197.11836	0.7
198.06706	0.4
199.03992	2.3
213.05521	3.0
213.09164	1.1
214.06180	0.7
215.07143	0.6
224.04768	5.9
225.05537	1.9
241.05048	82.5
242.05753	23.2
243.06180	1.3
246.67946	0.4
257.08176	100.0
258.08496	7.1
281.22293	0.4
287.15024	0.7
293.69470	0.4
353.12384	1.3
353.62515	0.4
419.14044	2.4
419.18808	0.9
419.26871	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1349
Annotation	Gnetifolin E
Peak:m/z	Relative Intensity
51.65194	0.2
54.94693	0.3
57.03452	0.7
58.00615	0.3
59.01381	16.3
60.01750	0.3
61.98831	0.5
69.03490	0.3
71.01388	4.3
71.53680	0.4
71.54061	0.3
72.99332	0.5
73.02962	0.7
81.03452	0.5
83.01411	0.3
85.02946	1.7
87.00909	0.4
89.02454	3.7
93.03446	1.6
95.01411	0.4
95.05022	1.1
101.02453	2.5
108.02163	0.3
111.04535	0.6
113.02451	1.6
119.03538	1.2
119.05019	2.6
119.32133	0.2
120.05376	0.3
121.02960	2.3
122.03726	0.9
123.04525	79.2
124.04866	2.9
124.39718	0.3
125.02450	0.5
131.03525	0.4
137.02383	0.6
145.03004	0.5
149.04555	0.6
153.05576	100.0
154.05925	4.4
155.03485	0.4
157.50056	0.2
158.63120	0.2
161.04543	0.4
163.03995	2.7
164.04430	0.4
167.03500	0.3
168.04262	0.5
172.05318	0.5
173.04608	1.7
177.07567	0.3
183.13950	0.4
185.06056	0.7
191.05623	0.6
197.06013	0.7
199.04048	0.5
205.05055	0.4
213.05539	2.0
214.06332	0.5
224.04807	1.4
225.05437	0.7
225.11378	0.3
227.12857	0.4
240.04106	0.4
241.05063	16.9
242.05789	6.4
243.06161	0.3
257.08191	56.2
258.08459	4.7
271.58911	0.7
272.09610	0.4
366.02316	0.3
401.12091	0.3
401.21420	0.6
419.13818	4.8
419.22742	15.6
420.14087	0.4
420.23273	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	418.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79797	0.7
52.03789	0.8
59.01381	23.3
61.98830	100.0
62.86654	0.8
78.40620	1.0
80.61526	0.9
86.18996	0.8
153.95157	0.8
176.22589	0.7
211.22400	0.8
213.14952	0.9
267.17874	5.8
355.19446	4.7
442.30988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
58.14579	0.3
59.01382	2.9
60.99304	12.0
61.98830	3.7
66.77427	0.4
71.01361	1.0
71.22810	0.5
73.02959	0.6
81.03445	0.5
85.02945	0.9
87.00875	0.6
87.72318	0.4
88.98804	100.0
89.02438	0.9
89.99129	0.8
93.03448	1.4
99.04510	0.6
99.79638	0.4
101.02446	0.6
111.00865	0.4
111.04463	0.6
121.72255	0.4
122.91032	0.3
123.04499	1.0
125.02426	1.3
131.03534	0.7
137.02441	1.1
163.04015	0.5
165.01787	0.4
167.03477	4.1
168.03865	0.6
173.04572	3.3
191.05635	1.1
239.09296	0.3
245.13971	0.5
287.15140	0.8
357.13608	0.4
367.09216	0.5
375.14481	1.1
419.19830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93492	0.9
54.01760	1.1
59.01381	100.0
60.01724	1.4
60.99550	1.0
61.98825	1.2
65.69421	0.9
69.41658	6.7
78.03075	1.0
110.96587	1.0
163.43224	1.0
289.05341	1.7
390.90939	1.1
417.21051	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	418.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
57.03454	1.6
59.01380	39.4
60.01716	1.2
61.98830	100.0
69.51192	2.2
69.51600	1.4
71.01379	11.4
72.01718	0.9
72.99320	0.7
73.02950	3.5
75.00878	0.6
78.14938	0.6
81.03465	1.5
83.01390	1.7
85.02940	3.9
87.00877	1.2
89.02441	8.4
90.02816	1.1
90.19273	0.5
90.36324	0.6
93.03469	1.3
95.01372	0.8
97.02956	0.7
99.00906	1.2
99.04543	1.3
101.02434	7.6
102.02778	0.9
109.02936	0.7
109.54335	0.6
113.02448	5.4
114.02786	0.8
117.03455	0.9
119.03461	3.4
125.02443	5.1
129.01918	0.7
130.59840	0.7
137.02444	2.2
159.02940	1.0
161.04517	4.2
162.04990	0.8
163.07628	0.6
167.03497	8.6
173.04543	1.7
175.02527	1.9
180.05995	0.8
190.98190	0.5
197.04630	2.2
249.13481	0.8
269.10358	2.9
286.13770	1.0
287.15097	0.7
311.11536	1.1
329.06635	1.1
381.17764	1.3
382.18076	1.9
411.51099	0.7
417.25055	1.5
418.25668	0.9
419.11047	1.9
419.19495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01628	0.4
55.01882	6.3
57.03448	5.5
58.00585	1.3
59.01379	34.8
59.58994	0.2
67.01883	0.4
68.99818	0.5
69.03457	1.2
69.50224	0.9
69.50655	0.8
70.81644	0.2
71.01381	100.0
72.01720	1.5
72.99304	2.7
73.02945	33.6
74.03304	0.4
75.00887	1.6
78.17590	0.3
81.03466	0.7
83.01386	15.0
84.02174	0.9
85.02949	47.4
86.03284	1.0
87.00875	3.4
87.04494	0.3
89.02440	9.3
95.01387	7.2
97.02948	2.3
99.00879	14.7
99.04453	0.2
100.01224	0.3
101.02441	74.6
102.02788	1.3
111.00871	0.6
112.01664	0.2
113.02448	43.0
114.02792	1.0
115.04015	0.4
116.10241	0.2
119.03506	1.1
119.05043	0.9
125.02454	2.4
129.01927	1.8
131.03505	0.7
135.53139	0.3
143.03500	6.5
148.01607	0.3
149.06096	0.3
159.02988	12.3
160.03304	0.4
161.04550	93.0
162.04910	2.7
163.03981	0.6
164.30005	0.2
173.04602	0.4
177.12836	0.3
179.05612	0.5
180.00879	0.2
205.03493	2.0
207.62198	0.3
235.17090	0.3
237.14931	0.4
239.16524	0.6
240.04230	0.2
245.56061	0.3
249.09596	0.3
255.06731	0.6
255.19635	10.7
256.19971	0.7
269.14005	0.5
271.09122	0.5
273.20740	0.3
297.20364	0.2
299.18665	0.7
315.21664	0.9
381.80222	0.3
417.24985	44.9
418.20184	0.4
418.25330	4.8
436.29361	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99907	0.2
55.01878	5.4
57.03447	4.6
58.00584	1.4
59.01379	31.9
60.01714	0.3
63.92459	0.2
64.98267	0.2
67.01890	0.3
68.99818	0.4
69.03453	0.6
71.01379	61.0
71.30055	0.3
72.01721	0.9
72.99313	2.3
73.02944	22.2
74.03274	0.4
75.00874	1.8
81.03444	0.5
83.01382	10.7
84.02175	0.3
85.02948	32.5
86.00113	0.4
86.03296	0.8
87.00866	3.2
87.04526	0.3
89.02444	6.3
95.01386	4.9
97.02950	2.3
99.00877	9.9
99.04530	0.2
101.02438	60.0
102.02769	1.0
103.04005	0.4
111.00890	0.8
113.02445	25.9
114.02784	0.6
119.03522	1.0
119.05027	0.6
125.02449	2.6
129.01959	1.5
131.03484	0.7
137.02393	0.3
143.03481	2.6
159.02986	6.3
160.03320	0.2
161.04546	37.5
161.39287	0.2
162.04901	1.4
163.04027	0.6
166.33601	0.2
167.03476	0.6
173.04556	0.4
205.03540	0.9
221.15451	0.5
235.17149	0.3
237.18756	0.4
239.16614	0.3
240.04214	1.1
253.18028	0.3
255.06630	0.9
255.19649	1.3
269.13947	0.7
271.09042	0.4
284.03278	0.4
315.21710	1.5
316.21939	0.3
417.24942	100.0
418.25278	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	417.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07928	0.9
52.92505	1.0
55.01883	2.1
57.03447	8.7
58.00595	5.5
59.01379	100.0
61.98856	1.3
67.05551	2.0
69.03447	1.0
69.37517	3.2
69.37936	4.6
71.01382	64.3
71.05007	5.0
72.99310	6.4
73.02945	8.0
75.00909	1.8
75.41469	0.8
81.03470	1.1
83.01398	3.7
83.05049	3.0
85.02951	21.8
85.06628	3.2
87.00856	5.9
87.04549	3.7
88.98838	1.8
89.02445	71.6
90.02810	1.5
91.01925	3.0
93.02051	1.2
93.03457	6.1
95.01430	4.6
97.06635	1.9
99.00905	3.3
99.04534	1.8
101.02441	42.8
102.02874	1.1
107.04998	1.0
107.32499	1.1
109.03017	1.6
109.06650	1.4
109.64807	1.1
111.04571	1.4
113.02450	28.8
114.02834	1.5
115.07658	1.0
119.03513	27.8
119.05009	29.4
119.08697	4.7
121.03001	3.8
121.10232	27.1
121.11066	2.1
122.10624	1.6
123.04539	2.2
125.02428	7.2
131.03545	3.3
133.02983	1.9
133.10294	3.4
135.00894	11.2
135.04607	1.3
135.08192	2.2
135.11809	9.4
137.02521	2.7
143.03497	6.1
149.02496	2.3
149.04625	3.6
151.04080	3.1
152.01234	1.3
153.01990	3.4
153.12885	1.0
161.04579	11.8
163.04005	5.3
163.14999	2.9
165.09225	2.3
167.03566	4.2
168.04347	3.9
169.12344	1.2
171.26012	1.0
173.04654	2.7
175.04012	1.3
175.15048	1.0
179.05627	10.4
179.10855	1.2
180.06064	0.9
193.16057	3.6
205.08795	2.3
209.08295	1.5
210.08572	1.9
211.08894	3.5
213.09256	1.5
227.12909	1.3
237.14961	61.5
238.15398	3.9
245.54462	1.0
255.06602	31.4
255.19731	1.7
256.07071	1.7
260.86160	1.0
269.17688	1.2
271.09079	2.9
277.02756	1.0
285.04025	20.2
286.04483	1.6
297.07135	1.2
313.20395	2.4
337.09781	1.1
352.11713	1.8
399.23730	8.8
417.12457	10.3
417.25266	40.8
418.25549	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	417.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91599	2.0
56.56043	2.3
57.03437	5.4
59.01380	70.9
59.59740	1.8
61.98814	4.8
69.03457	3.5
70.00140	7.5
70.00526	4.4
71.01391	12.9
72.04797	2.4
83.05018	7.6
85.02951	5.2
86.67094	2.1
89.02449	14.5
96.95914	1.9
97.06565	5.3
98.20647	2.6
101.02423	7.7
110.27467	2.9
111.08149	37.4
113.02422	8.3
117.26546	2.3
119.03473	4.3
121.70789	2.3
123.08162	2.9
125.09716	38.7
161.04536	3.9
173.08176	28.2
187.09770	32.6
193.15973	28.9
194.16209	3.0
211.17024	78.0
212.17322	3.6
237.14928	6.2
247.11816	6.2
255.16025	100.0
256.16238	6.6
259.43198	2.5
261.13354	5.4
279.16034	2.5
325.80713	2.8
369.17197	2.2
417.08722	3.2
417.21103	47.9
417.25906	4.3
418.21481	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	417.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34890	1.7
55.01889	3.2
57.03447	51.3
59.01379	96.6
66.84644	1.8
67.01891	4.8
69.24683	16.0
69.25082	3.6
71.01391	6.0
71.05021	4.8
73.02947	98.6
74.03291	1.9
83.01389	15.2
83.05043	2.7
85.02955	6.5
87.00882	4.4
89.02460	3.9
93.03455	6.0
97.03019	2.8
99.00871	9.9
101.02464	3.1
103.00375	50.2
111.00881	62.3
112.26733	1.8
112.68720	1.7
113.02435	6.1
125.02459	4.0
125.09739	13.5
128.01176	4.5
129.01973	23.0
130.02255	2.0
130.62448	2.0
137.02478	3.3
142.18063	1.8
154.99849	6.5
161.04507	2.9
162.74692	1.8
166.02625	2.6
169.08687	7.7
173.00868	5.2
181.12354	28.8
183.10301	4.5
191.01964	1.9
191.05621	5.0
193.08676	2.9
199.13348	13.1
223.13411	7.9
225.11263	27.8
226.11841	2.5
240.23236	1.9
243.12370	100.0
244.12697	5.8
250.04718	1.7
267.12360	27.4
272.03055	2.0
284.03159	3.7
285.13431	27.9
329.12436	33.3
330.12442	3.2
399.16904	2.1
417.08292	5.5
417.18280	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22785	0.6
50.90425	0.7
57.03452	6.0
59.01380	16.7
60.99322	3.4
61.98824	1.7
67.01899	8.7
69.03432	2.9
69.47913	4.8
71.01385	8.0
71.05009	1.1
73.02947	4.5
80.49378	0.6
81.03435	3.5
82.59245	0.6
83.01391	2.0
83.05027	1.5
85.02944	7.9
87.00870	13.5
89.02444	2.7
93.03458	58.7
94.03785	0.9
97.02962	0.9
98.20631	1.3
99.00877	2.1
99.04525	1.6
101.02437	3.3
107.04282	0.7
108.48873	0.6
109.02928	2.5
111.00872	2.6
111.04530	10.0
113.02431	2.8
113.04339	0.7
119.03467	0.7
122.06078	0.7
125.02437	6.9
127.03999	2.0
129.01935	2.3
137.02463	4.8
139.11324	4.0
141.05531	1.5
141.47815	0.7
149.04539	1.9
151.04015	1.9
152.91655	0.8
153.01978	0.8
155.03500	1.7
161.04559	1.6
164.01280	0.8
165.01900	2.3
167.03459	4.9
173.04538	23.2
174.04874	1.0
179.03455	1.8
181.12349	2.0
183.10271	5.1
191.05605	56.4
192.05977	2.7
199.13345	1.7
205.08736	1.0
225.11292	1.7
241.14418	1.0
243.12366	9.7
271.15497	1.0
280.79001	0.7
285.13406	4.7
285.16577	1.2
297.12421	1.2
327.12231	1.0
329.12283	1.4
341.11319	1.4
355.11942	1.7
357.15366	1.5
367.12000	0.9
373.13464	1.6
399.14572	0.7
417.17627	100.0
417.24448	3.0
418.12900	1.0
418.17957	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	417.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18583	1.5
57.03452	52.4
59.01382	94.9
61.98828	15.2
67.01883	4.5
69.03460	16.9
71.01385	11.4
71.05016	1.8
71.53175	1.7
72.99297	7.4
73.02951	11.4
83.01386	7.3
83.05051	1.6
85.02964	8.8
87.00863	6.2
89.02441	11.6
93.03459	11.3
97.06588	2.4
99.00877	6.6
99.04496	3.1
101.02441	8.6
103.00352	3.2
111.00887	44.9
113.02455	44.4
119.03495	4.7
122.50079	1.4
123.04532	5.4
123.08160	3.3
123.35888	1.6
125.02445	12.2
126.02773	2.4
129.01921	18.7
131.03508	14.5
137.02443	12.4
139.11296	25.1
141.05708	2.0
143.03545	2.2
149.04533	4.2
151.04012	2.9
152.01180	2.4
154.99854	4.7
155.10809	2.2
161.04568	2.9
163.11285	2.6
164.01135	1.9
165.01929	3.6
165.09264	2.1
167.03470	2.7
169.01468	3.2
171.01907	3.8
173.04576	5.0
175.02486	8.9
179.03479	4.9
181.08714	2.3
181.12320	12.8
183.10257	28.4
191.05576	6.4
197.11804	5.3
199.13429	5.4
223.13445	2.3
225.11346	14.5
241.10718	8.0
241.14418	3.2
243.12375	100.0
244.12640	4.5
275.41583	1.6
285.13440	80.8
285.16620	3.0
286.13733	4.9
329.12375	33.3
330.12631	2.8
348.13406	1.8
351.53720	1.7
399.12976	9.2
400.14520	1.9
417.12756	11.4
417.18271	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	417.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77634	0.2
59.01363	0.7
60.72438	0.2
61.98822	1.4
70.36510	0.4
88.98827	0.2
99.92582	3.9
100.92685	0.3
100.93364	3.6
101.92416	0.2
110.21278	0.2
115.92075	100.0
116.92088	6.0
116.92864	2.4
117.91902	0.5
117.92616	0.2
119.05058	0.3
120.00788	0.2
121.02968	1.2
129.72488	0.2
132.92377	1.3
139.45573	0.2
247.46863	0.2
253.16330	0.5
278.21896	0.2
369.11676	0.6
373.30991	0.3
399.12744	1.8
417.13715	7.4
417.30066	2.7
418.13968	1.2
418.30310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.8
65.34123	0.6
66.97346	0.6
69.32684	4.9
71.01393	2.3
73.02959	1.4
74.44060	0.6
85.02974	1.4
95.01370	0.9
98.20720	1.0
108.02174	58.9
109.02962	24.3
110.03267	1.1
112.08746	0.6
121.71584	0.7
123.00876	0.7
123.04498	0.9
151.03992	2.4
152.01151	100.0
153.01700	5.0
163.04057	2.1
241.07132	3.8
285.06290	1.3
417.10373	95.7
418.10730	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	417.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69945	0.4
59.01376	1.9
59.51457	0.4
70.42027	1.2
70.42379	0.9
71.01379	2.7
73.02953	1.0
75.00862	1.7
75.83777	0.6
85.02927	1.0
87.00883	0.5
88.58894	0.6
89.02452	1.5
95.01381	1.2
98.20520	0.5
107.80533	0.6
108.02175	54.9
109.02969	23.0
113.02283	0.4
123.00864	1.6
123.04539	0.6
125.02417	0.6
126.94566	0.5
149.04541	0.9
151.03935	1.5
152.01151	100.0
153.01656	3.6
163.03999	2.0
169.01343	0.7
222.13675	0.5
241.07159	4.4
285.06110	0.7
298.42603	0.5
348.79678	0.6
368.99127	0.6
417.10379	93.4
418.10730	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	417.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46733	3.6
57.03441	10.3
58.44559	3.6
59.01372	39.0
61.98811	16.3
67.01917	4.3
69.03460	17.6
69.25916	16.5
69.26344	16.4
71.01371	20.6
72.58408	3.6
73.02953	18.4
75.00877	4.8
81.03461	8.9
83.01385	12.7
85.02953	22.2
87.00867	8.6
89.02454	9.2
93.03468	7.3
93.07095	3.2
95.05013	4.9
97.02965	5.9
98.20716	7.6
99.00845	7.1
99.04508	8.6
101.02458	18.3
103.00372	4.6
109.02930	12.2
109.03610	3.4
111.00880	6.6
113.02467	31.1
121.02946	7.5
125.02431	52.2
130.05026	4.2
137.02449	51.6
138.03247	30.9
141.05598	9.6
147.04501	4.5
149.04475	4.4
149.06056	4.6
151.03993	6.3
152.01141	6.2
161.04524	11.6
161.09734	8.2
165.01949	41.9
166.02664	21.8
167.03488	42.3
173.04538	7.0
174.04131	5.1
177.01848	4.9
177.09117	6.4
181.05052	6.1
183.10255	4.4
189.09196	35.8
203.07092	4.2
205.05057	14.3
205.08760	4.6
217.08611	7.5
223.13429	4.1
227.30125	3.8
228.46117	4.4
229.08623	4.6
231.06532	10.9
243.12433	18.6
249.13362	16.7
285.13391	14.5
309.11130	5.4
327.12213	9.2
337.10806	12.2
352.36462	3.8
355.11868	30.8
356.12277	5.4
373.12741	18.9
381.12701	5.1
381.17593	100.0
382.17883	9.7
400.16006	10.0
417.17078	15.4
418.16989	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	417.0828
Annotation	Juglanin
Peak:m/z	Relative Intensity
51.04747	0.2
51.61597	0.2
54.08699	0.2
55.01886	0.8
57.03456	0.7
59.01380	6.5
59.68394	0.2
61.98838	0.2
65.00336	0.7
69.03485	0.2
69.36292	1.6
71.01379	9.8
72.99336	0.3
73.02939	2.8
75.00872	0.3
83.01379	1.7
85.02947	4.8
87.00877	0.6
89.02438	2.0
93.03471	0.4
95.01404	0.8
97.02950	0.3
99.00861	1.1
99.54294	0.2
101.02442	6.9
105.03465	0.2
107.01387	1.4
109.02956	0.3
113.02430	3.6
113.03162	0.3
119.03483	0.6
119.05032	0.9
121.03007	0.2
125.02435	0.5
129.01952	0.2
132.02173	0.2
133.02946	7.4
134.03267	0.2
136.97755	0.2
137.02383	0.2
143.03505	0.4
145.02982	0.3
149.02441	1.4
151.00363	4.5
152.00935	0.2
159.03003	1.2
161.04538	7.3
162.04945	0.3
163.04027	0.9
163.07677	0.2
167.03487	0.3
168.04225	0.3
171.04457	0.3
173.04507	0.4
175.04001	2.9
197.06111	0.4
198.03134	0.2
199.03981	2.3
201.01962	0.9
205.03419	0.2
212.04831	0.3
213.05565	0.6
213.49298	0.2
215.03506	0.3
217.05060	1.5
223.03969	0.2
240.04274	2.1
240.75977	0.2
241.04973	1.0
243.02953	0.8
255.06612	3.4
255.19618	1.0
256.03760	1.3
256.06570	0.2
257.04379	0.4
267.02878	0.3
269.13916	0.8
270.08167	0.4
271.08984	0.4
284.03275	2.2
285.04016	100.0
286.04349	7.5
291.08746	0.3
368.13892	0.3
417.08167	14.0
417.25140	4.4
418.08514	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0828
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
57.03432	0.7
59.01382	6.0
61.98822	1.2
64.21200	0.5
69.03484	0.5
69.69697	2.2
69.70081	0.8
73.02940	1.3
76.67558	0.4
83.01394	0.9
85.02962	1.3
87.00871	0.5
89.02441	1.3
93.03461	1.6
101.02435	1.3
107.01394	1.1
112.38400	0.4
113.02473	1.1
116.35727	0.5
125.02454	1.9
128.30595	0.4
129.01927	1.2
135.00858	0.6
137.02467	1.2
145.03006	0.7
146.64798	0.4
147.03058	0.7
148.49333	0.4
149.04570	1.1
151.00362	2.2
157.06615	0.6
161.02458	0.5
163.00362	0.7
164.01186	0.5
165.01949	0.5
173.04558	0.7
179.00011	0.6
179.03482	0.6
183.04526	0.9
185.06041	0.7
191.05653	0.6
211.04039	2.0
213.05441	0.6
227.03496	65.1
227.12915	1.0
228.03864	4.1
229.04976	1.3
239.03571	0.8
240.04108	0.6
255.02983	87.3
256.03558	12.9
257.04361	1.3
269.13968	0.7
283.02399	0.6
284.03262	86.1
285.03922	21.7
285.17163	1.0
286.04388	1.3
287.14975	4.0
327.05286	0.8
381.89993	0.5
417.08252	100.0
418.08627	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	416.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01299	1.2
51.69337	1.3
58.01509	1.4
59.01386	2.5
61.98819	11.5
67.01900	3.4
71.01369	4.0
71.03048	1.5
85.02955	4.7
87.00895	2.1
91.84373	1.2
93.03458	21.5
98.19827	2.0
109.02947	1.7
111.04535	6.2
134.03748	2.4
135.04535	67.0
137.02467	4.8
150.73688	1.3
155.03523	5.4
161.02422	2.7
173.04550	100.0
174.04900	4.2
179.03505	68.2
180.03809	3.8
191.05606	44.1
192.05945	1.5
193.05289	1.4
199.57845	1.4
229.09880	1.8
295.38766	1.6
331.80835	1.4
341.91583	1.3
353.08749	80.3
354.09106	6.4
370.35040	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	416.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.1
57.07383	0.5
59.01381	13.4
60.01728	0.7
61.98829	100.0
66.97989	0.5
69.03457	3.0
71.01385	4.5
71.53255	0.5
72.00913	1.1
73.02972	1.5
75.00854	0.4
76.29932	0.4
83.01371	0.5
85.02967	2.6
87.00885	1.5
89.02461	3.5
93.03470	2.0
94.03835	0.6
95.01338	0.5
96.96027	1.1
101.02465	2.8
103.00385	2.0
108.02166	0.6
111.00906	1.4
111.04507	0.7
112.01225	0.6
113.02448	11.1
115.00408	0.7
119.03518	1.3
121.02941	0.5
123.00877	0.5
123.04491	0.4
125.02461	2.1
129.01993	0.7
130.05116	3.2
135.04558	0.7
137.02455	1.3
138.03217	0.9
139.03932	0.4
148.58951	0.5
155.03589	0.6
161.04568	2.1
163.04114	0.4
165.01994	0.6
166.02776	0.6
167.03496	0.5
173.04515	3.4
174.04054	2.5
175.02521	1.0
177.09111	0.6
179.03606	0.5
179.05637	0.7
181.08763	0.7
191.03723	1.1
191.05635	2.4
192.06018	0.9
197.11810	2.8
198.12180	1.7
210.49088	0.4
239.08920	0.5
241.10788	3.3
242.11240	1.7
243.12390	0.7
305.06696	0.7
328.11603	0.6
353.08899	1.4
357.15698	1.8
398.14658	1.9
416.16318	2.2
417.12216	0.6
417.17599	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	415.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06346	0.4
59.01379	100.0
60.01697	0.8
61.98824	1.7
63.28465	0.4
66.46436	0.4
69.63756	1.9
69.64167	0.9
71.01379	4.6
73.02953	0.6
80.02956	0.4
80.91080	0.4
83.01404	0.7
85.02962	1.1
89.02431	3.8
94.49725	0.4
101.02458	2.8
113.02443	1.9
116.97295	0.5
119.03529	1.8
125.02464	1.1
152.01138	1.3
161.04590	1.1
165.01953	0.6
173.04457	0.8
178.99899	1.4
179.05692	0.9
198.05539	0.4
250.04326	0.4
253.17998	0.9
267.65576	0.4
338.22385	0.5
401.82712	0.4
415.10431	0.7
415.23383	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	415.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
61.98827	1.0
70.17674	1.9
74.99096	7.3
77.00669	71.0
78.01013	0.9
98.20560	0.8
99.74558	0.5
110.98539	0.6
147.08173	1.6
147.87215	0.5
149.09700	1.7
161.09732	0.9
163.11273	2.3
187.11263	1.7
192.07884	0.6
200.04231	0.5
265.12057	0.7
279.13907	0.7
280.14703	0.9
309.22256	2.3
337.21732	100.0
338.22110	11.5
415.23138	19.0
416.23563	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	416.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	1.6
59.01374	5.4
61.98824	17.9
67.01895	4.9
68.61053	1.4
69.81345	4.5
69.81730	2.6
70.88818	1.2
71.01366	4.2
81.03438	2.3
85.02935	7.9
87.00879	2.4
93.03460	24.9
101.02464	1.6
111.04517	4.8
127.04046	2.0
133.02969	1.6
135.04521	62.3
136.04857	3.3
137.02437	5.8
141.14294	1.4
155.03499	4.5
161.02444	3.2
173.04536	100.0
174.04848	3.3
179.03488	68.1
180.03888	4.6
191.05603	52.8
192.05893	2.0
341.26831	1.5
353.08740	74.3
354.09116	5.5
417.09854	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	415.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.4
58.00550	0.7
59.01375	8.1
60.99305	5.9
61.98830	3.3
62.27599	0.6
65.03971	0.8
67.01887	14.9
69.03443	4.7
71.01379	8.5
71.05014	0.7
73.02934	1.3
77.95747	0.7
81.03468	3.1
83.05033	2.9
84.02168	0.9
85.02947	3.6
87.00334	1.1
87.00875	18.6
89.02435	2.4
93.03456	100.0
94.03778	1.8
99.00890	2.1
99.04503	1.6
101.02444	2.8
109.02953	2.1
111.00957	0.9
111.04524	14.9
111.08147	2.7
113.02442	4.2
115.03977	1.0
119.03436	1.2
121.02914	0.8
125.02423	1.6
127.04049	1.3
129.01892	1.8
137.02449	1.7
141.97995	0.6
143.03511	1.2
155.03499	4.6
165.12865	12.0
171.10243	1.0
173.04541	39.5
174.04848	1.6
180.01244	0.6
183.13878	7.6
191.05612	19.6
209.11876	1.7
227.12914	6.9
336.36200	0.7
339.18173	0.9
341.23239	1.2
383.17078	12.2
384.17419	1.6
415.19675	57.7
416.19952	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	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	8.4
56.07893	1.3
57.03447	6.1
59.01379	100.0
61.47176	1.3
61.98823	1.6
69.44260	8.5
71.01382	17.8
72.99295	1.2
73.02969	2.2
75.00874	9.5
83.01343	1.0
85.02951	14.0
85.55778	1.1
87.00888	3.2
89.02444	11.2
93.03484	2.1
98.20658	2.2
99.00897	1.8
99.04536	1.3
101.02457	9.5
102.98605	2.0
108.02166	1.2
111.04518	3.7
113.02465	5.8
119.03515	5.5
120.04153	1.1
125.02424	1.7
129.01949	3.6
147.03000	11.3
152.01076	1.8
155.03384	1.3
161.04532	2.7
161.13373	2.1
165.04044	13.2
173.04587	3.1
207.10233	4.1
223.13394	60.4
224.13783	3.3
236.56099	1.2
267.12378	42.5
267.15335	2.2
268.12646	3.8
303.08856	1.4
415.15778	25.4
416.16357	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16831	0.3
57.03453	0.6
59.01374	3.6
60.99292	0.7
61.98832	0.8
67.01891	2.2
69.03433	0.8
71.01381	3.9
73.02946	1.2
76.12218	0.2
81.03444	0.6
83.01379	0.5
83.05017	0.7
85.02946	10.7
87.00868	3.2
88.98803	0.3
89.02435	0.7
93.03457	12.7
94.03793	0.4
98.83079	0.3
99.00902	0.4
99.04525	0.4
101.02435	1.8
103.00423	0.3
108.09446	0.2
109.02944	1.0
111.00903	0.3
111.04536	2.1
113.02451	1.1
119.03497	0.3
125.02455	0.4
127.03992	2.1
127.62009	0.2
129.02000	0.3
140.43761	0.3
143.03487	0.3
155.03529	0.4
161.04562	0.7
165.12852	1.7
171.03056	0.3
171.10268	0.4
172.19638	0.2
173.04530	4.8
185.07205	1.1
191.05605	100.0
192.05956	3.7
218.02194	0.3
253.08658	0.3
253.18150	0.8
341.22888	0.3
360.37299	0.3
371.14920	0.4
415.14496	0.3
415.19547	4.6
416.20081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	12.7
59.01379	100.0
60.01709	1.3
61.98829	21.1
69.03455	4.3
69.38332	5.6
69.38735	1.7
71.01389	6.4
71.05014	1.1
73.02956	1.6
81.03467	1.2
83.01362	1.3
83.05025	3.2
85.02942	6.0
87.00877	3.6
89.02444	2.4
93.03464	8.0
95.01435	1.1
97.06606	1.2
97.82560	1.1
99.04509	2.6
101.02440	3.8
103.00383	9.8
109.02950	1.1
111.00883	8.2
111.04517	6.3
112.01195	1.2
113.02454	12.9
119.08654	4.0
123.00890	3.7
123.04495	1.7
124.01651	3.7
125.02424	1.2
129.01929	4.7
130.05083	1.6
135.08144	1.4
135.11761	1.2
137.09747	5.9
138.03226	2.8
139.03990	3.0
155.03494	7.7
161.04558	5.4
161.09741	1.2
163.52434	1.0
167.03415	2.5
173.04532	25.4
174.04013	2.2
179.10754	4.0
181.08701	16.9
182.09000	1.1
184.96819	0.9
191.05602	30.8
192.06073	1.5
194.09465	10.0
197.11826	67.4
198.12146	4.1
209.11792	9.9
223.09705	2.2
241.10809	75.1
242.11096	4.3
283.11923	9.6
301.09271	3.7
327.10867	5.4
329.98770	1.0
398.14624	1.7
415.16080	61.5
416.16281	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	415.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
57.03455	5.8
58.00584	1.9
59.01378	81.5
60.01701	0.9
71.01382	50.6
71.53590	1.3
72.99301	3.4
73.02946	26.2
83.01379	2.8
85.02949	18.2
87.00881	5.5
89.02443	64.6
90.02805	1.1
93.03461	4.4
95.01396	7.9
95.92899	0.8
99.00880	100.0
100.01210	1.5
101.02448	22.1
103.00365	5.0
111.00893	5.5
113.02451	41.6
115.91168	0.9
119.03513	12.1
123.04520	3.3
129.01918	2.8
131.03499	16.3
141.48279	1.0
143.03467	2.7
149.04553	53.6
150.04930	1.0
161.04550	28.9
161.05898	1.5
167.03430	4.9
173.04521	2.0
179.05591	5.3
191.05620	68.9
192.05905	2.6
197.11801	2.2
223.09814	1.1
233.06650	10.2
241.10759	3.1
244.75165	0.9
283.11926	3.4
293.08661	2.0
327.10886	2.4
415.16077	36.4
416.16525	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	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
57.03450	22.1
58.00583	0.9
59.01381	40.7
60.98243	0.7
61.98814	4.1
67.01885	2.2
67.62494	0.8
69.66918	1.3
69.67327	3.6
71.01383	11.2
72.99306	1.1
73.02952	11.6
75.00855	1.1
80.25872	0.8
83.01376	4.7
83.05027	1.4
85.02945	15.1
87.00876	9.8
89.02445	5.8
93.03454	7.7
95.93690	0.7
97.30850	0.7
99.00876	4.1
99.04506	1.4
101.02434	11.1
103.00374	29.0
111.00165	1.5
111.00883	19.2
111.04510	2.1
112.59505	0.8
113.02455	5.2
119.03500	1.4
119.08695	0.8
121.06595	0.8
123.03703	0.8
123.04536	3.1
125.02444	2.4
127.03970	2.3
129.01939	6.6
137.09709	1.9
149.04555	2.9
149.06125	0.8
161.04546	2.0
161.09767	1.4
163.07686	2.2
173.00873	1.8
173.04457	5.8
177.12865	1.1
179.10825	1.5
181.08714	3.7
191.05612	100.0
192.05980	4.0
194.09464	6.4
195.10184	0.8
197.11829	14.3
198.12207	1.3
203.10718	0.9
206.11436	0.8
209.11877	7.7
209.24745	0.7
210.12225	1.2
223.09758	2.5
235.09746	0.9
239.12859	1.4
241.10806	20.3
265.10840	1.1
283.11923	8.0
283.15323	1.6
284.12177	1.3
303.31616	0.9
327.10843	15.7
328.11185	1.9
371.17093	8.6
397.14957	6.5
415.16211	42.6
416.16541	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	415.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.4
57.03451	12.9
58.00586	1.3
58.99600	15.5
59.01380	66.4
60.01722	1.3
61.98824	1.3
63.00323	1.0
69.03427	1.3
69.59541	3.2
69.59951	3.8
71.01383	24.1
73.02946	4.1
74.99080	3.6
75.00867	3.5
75.05018	1.0
80.32230	1.4
81.03441	1.8
83.01376	5.4
85.02946	13.1
87.00858	2.7
89.02443	20.0
93.03428	1.4
95.01380	1.7
97.02956	2.6
97.06532	1.1
98.19967	1.5
99.00863	1.5
101.02441	15.1
102.98598	100.0
103.98939	1.3
108.02183	1.2
110.85066	1.1
111.00864	1.4
113.02453	10.0
119.03500	9.6
120.99644	3.6
123.00893	2.6
123.04529	2.0
124.01674	8.4
124.03580	1.0
125.02447	87.0
126.02779	1.8
131.03554	1.3
137.02409	3.0
143.03484	1.3
147.02989	3.0
147.11801	8.9
149.04587	1.5
149.99561	10.3
151.00317	1.7
159.03049	1.1
161.04623	5.3
163.00656	6.9
163.04030	1.3
165.04024	4.3
167.03517	9.2
168.00653	19.9
169.01419	9.8
173.13322	13.4
178.99713	1.2
179.05600	3.2
185.08589	1.4
187.04031	1.3
189.05698	1.2
191.03531	1.9
191.05443	1.0
191.14368	1.8
207.10196	1.3
217.12314	1.5
223.13408	13.9
224.13789	1.3
235.13397	9.9
253.10785	6.9
257.08215	1.4
267.12369	14.8
268.12799	1.6
285.03928	1.3
289.10809	3.4
383.11130	1.3
397.12592	1.1
415.12143	28.7
415.23648	2.4
416.12851	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	415.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33130	0.2
61.98819	0.7
62.04262	0.2
65.32169	0.2
67.34917	0.2
71.51804	0.2
76.38595	0.2
77.79144	0.2
78.24055	0.2
83.36308	0.2
87.00871	0.3
99.92584	25.8
100.92619	1.2
100.93376	5.9
101.93371	0.3
104.61499	0.2
113.92621	0.8
115.92077	100.0
116.92088	5.3
116.92874	4.6
117.92552	0.3
117.93626	0.3
119.76358	0.2
132.92337	1.0
171.08151	0.9
267.17532	1.8
273.02328	0.3
275.04163	0.2
289.01685	0.5
301.01663	1.2
315.19571	0.4
316.04034	0.3
318.99359	0.4
319.02798	4.2
320.02878	0.6
334.05045	1.0
366.04123	0.7
385.11005	0.3
397.11078	1.8
400.09891	0.4
415.12170	47.4
416.12378	7.5
429.09604	0.2
436.53116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	74.1
59.01378	71.7
61.83791	1.6
67.01894	3.9
69.57420	11.5
73.02958	1.7
83.01388	7.9
85.02938	2.7
87.00877	15.5
99.00887	3.3
101.02405	2.6
103.00374	100.0
103.32896	1.7
111.00883	72.7
119.08691	2.2
123.04530	1.7
129.01950	26.5
135.08192	2.4
137.09706	5.4
160.82050	2.0
161.09758	2.4
173.00792	2.6
177.12823	2.6
179.10786	4.0
181.08694	10.3
191.05554	3.5
193.58534	2.0
197.11826	36.9
198.12149	2.3
221.11832	2.6
223.09673	8.8
234.93680	1.8
241.10794	47.0
248.10576	2.0
265.10669	2.6
283.11874	27.8
284.12183	2.2
327.10831	59.9
328.11102	5.3
358.03854	2.1
366.63919	1.8
415.12259	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	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06032	0.6
55.01888	1.4
55.52817	0.5
57.03460	4.0
58.00598	0.7
59.01379	37.3
61.98824	1.2
63.98760	0.5
65.94533	0.5
69.03461	3.6
69.22346	5.5
71.01383	20.9
71.05013	0.7
72.99308	1.4
73.02939	3.8
75.00867	0.7
79.01892	0.9
81.03456	2.3
83.01391	4.7
83.05045	1.1
85.02957	10.2
87.00884	1.7
89.02446	19.9
93.03468	1.0
95.01388	3.3
95.05003	1.1
97.02931	3.1
97.06625	0.7
97.82758	0.5
98.20668	1.1
99.00880	2.1
99.04578	0.7
101.02441	14.6
101.06065	3.4
102.98618	1.2
107.01389	2.2
107.08668	1.7
108.02184	1.1
111.00860	0.8
113.02442	9.3
119.03521	7.2
121.02896	0.9
121.10226	1.3
123.00861	5.2
124.01665	18.3
125.02448	61.2
126.02790	1.4
129.01962	1.3
131.03500	0.7
135.04565	0.6
135.11783	0.6
137.02437	2.4
143.03488	2.1
145.01442	1.1
147.02986	0.7
149.02411	0.6
149.04538	1.9
149.99582	33.7
151.00412	3.5
152.01215	0.9
154.01457	1.1
161.04561	4.3
161.13368	11.2
162.04903	0.6
162.13655	1.0
163.03854	0.6
165.03999	1.2
167.03465	1.2
168.00641	59.9
169.01372	4.4
173.04576	0.8
173.13344	0.7
178.99913	1.3
179.05580	3.1
182.20148	0.7
191.14395	4.1
197.11752	0.7
223.13400	2.0
235.13380	14.4
236.13832	1.0
241.10820	1.5
253.18062	0.9
267.12323	1.7
269.13293	0.7
283.06253	0.7
309.41605	0.7
311.05594	1.4
313.05658	0.7
397.11389	4.8
408.91696	0.5
415.12445	100.0
415.19250	3.5
415.23755	3.9
416.12772	10.1
423.41415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46146	0.5
58.48299	0.5
59.01379	100.0
60.01714	1.1
61.98839	0.5
64.26189	0.5
65.50653	0.4
69.61013	2.1
69.61425	0.8
77.74837	0.5
82.32276	0.5
115.88248	0.5
138.44702	0.5
141.37880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67643	0.4
57.22641	0.4
59.01382	3.1
61.98830	100.0
71.01384	1.7
71.23373	0.7
73.02945	0.6
80.46633	0.3
82.33318	0.4
82.95415	0.6
84.95114	0.7
85.02973	1.0
87.00878	0.5
93.03472	1.5
101.02454	1.2
111.00910	0.8
113.02480	1.7
125.68189	0.4
135.04475	0.4
137.02483	0.8
149.09711	0.4
161.04552	0.6
173.04567	1.2
191.05643	0.8
237.09720	2.8
241.10902	0.7
283.08450	0.5
413.86221	0.4
414.14923	0.4
415.16150	1.7
416.15479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.3
57.03452	2.0
57.20789	0.3
59.01377	9.1
61.98832	100.0
64.53437	0.3
69.03475	0.4
69.97107	0.3
70.64643	0.7
70.64986	0.4
71.01382	4.2
73.02960	1.1
75.00909	0.3
83.01391	0.5
85.02979	1.3
87.00892	0.6
89.02441	3.3
93.03473	0.9
94.03839	0.3
95.01356	0.5
97.02972	0.5
99.00919	0.4
101.02446	2.8
103.00384	2.1
111.00883	2.1
113.02461	2.8
118.94146	0.3
119.03502	1.6
119.05081	0.3
123.00904	1.0
124.01672	1.2
125.02482	0.4
129.01952	0.6
137.02461	1.4
138.03120	0.7
139.04024	0.9
149.04596	0.4
153.09225	0.5
159.03020	0.4
161.04527	2.2
167.03522	1.0
171.10327	0.8
173.04556	0.7
179.05655	0.4
179.10844	0.4
181.08710	0.4
185.08226	0.3
191.05661	1.1
197.11795	1.4
197.97104	0.3
217.12456	0.5
241.10796	1.6
283.11777	1.6
301.09399	0.7
327.10941	1.1
351.16586	13.2
352.17035	1.3
415.16205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01724	0.9
65.76349	0.3
69.91129	0.3
70.62844	1.1
83.28236	0.3
83.67797	0.3
201.50661	0.3
224.46211	0.3
240.46582	0.3
285.99542	0.4
333.82898	0.4
377.32065	0.3
390.12122	0.3
413.30774	0.7
436.42453	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	12.5
58.03787	0.7
59.01386	11.7
61.98839	1.7
63.33432	0.5
65.00351	0.6
65.44599	0.5
69.03435	1.0
69.91998	1.8
69.92406	1.2
70.96574	0.5
71.01384	4.6
72.66826	0.5
73.02948	30.9
81.03460	5.0
83.01397	11.4
83.05036	1.0
85.02964	1.2
87.00874	2.6
89.02440	2.7
93.03476	1.1
95.01432	0.7
95.05035	1.7
96.95989	0.8
97.02959	1.8
98.20542	1.2
98.21143	0.5
99.04488	1.2
101.02435	3.7
102.98611	1.3
107.01436	1.4
107.05037	0.6
111.04506	0.7
113.02448	1.9
113.06109	1.2
119.03488	1.4
121.03015	1.4
123.04543	2.1
125.02451	100.0
125.06074	6.2
126.02792	3.8
126.06491	0.5
127.00365	1.2
131.03499	1.7
137.02438	2.9
139.04007	1.4
147.04460	0.6
149.02441	10.0
151.00349	2.6
153.05568	1.2
161.04469	0.7
161.09767	0.7
163.11292	1.6
165.01917	2.8
167.03502	8.7
169.01440	1.3
173.04587	1.3
179.03374	0.6
187.07686	2.2
187.11243	5.3
195.13890	5.1
203.03525	1.5
204.04265	1.8
205.12366	2.0
207.10260	6.9
215.07114	2.1
219.13852	1.3
231.10272	0.9
233.08206	20.5
234.08521	0.8
239.12936	3.7
239.16455	2.8
243.06577	1.2
247.09801	6.9
249.11322	1.1
251.09271	21.0
251.16562	1.2
252.09601	1.9
263.12943	2.1
267.12607	0.6
267.15894	1.0
275.09229	1.0
281.13959	56.8
282.14267	4.2
287.07736	2.5
313.05652	1.5
337.10843	1.8
381.09949	1.1
395.11212	1.0
413.12735	6.1
413.17990	2.0
413.22958	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
57.03442	0.6
59.01381	3.5
60.75629	0.1
61.98827	0.4
69.44921	0.9
69.45327	0.3
71.01376	5.2
72.99294	0.1
73.02943	2.2
77.11298	0.2
78.95891	0.4
80.04794	0.2
80.91698	0.2
83.01380	0.7
85.02941	1.9
87.00865	0.3
89.02438	2.3
93.03455	5.0
94.03793	0.2
95.01397	0.3
97.92488	0.1
99.00874	4.3
99.04518	0.2
101.02439	3.4
104.73939	0.2
113.02441	2.5
119.05023	100.0
120.05354	3.7
123.04530	0.3
125.02405	0.3
131.03497	0.5
131.70616	0.2
134.03754	0.2
137.02438	10.5
138.02760	0.3
143.03490	0.7
152.99580	0.4
159.02989	0.2
161.04547	2.3
163.03931	0.2
173.04543	0.3
191.05620	1.4
203.07257	0.2
233.81128	0.2
265.10745	0.4
281.10229	2.2
293.08752	0.4
299.07761	0.7
413.14505	16.9
414.14859	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	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10989	0.6
59.01394	1.4
62.95268	0.6
69.53412	4.3
70.66702	0.6
71.01388	0.8
78.95900	7.6
79.05515	3.3
81.03457	8.8
89.02458	0.9
93.88976	0.8
96.96958	1.1
101.06075	6.5
119.05014	0.8
123.04524	100.0
124.04844	4.0
137.06030	0.7
139.11288	6.9
147.04532	2.6
150.82646	0.6
152.99573	14.1
163.11301	6.9
165.05620	0.9
189.05627	1.4
207.10252	65.6
208.10585	2.9
231.10205	2.8
288.27759	0.7
325.07724	0.7
369.15591	1.5
381.13208	2.6
413.15500	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
59.01377	2.8
61.98824	0.8
69.80067	0.4
70.11395	0.5
71.01389	2.4
71.52953	0.8
71.53316	0.5
73.02967	0.5
78.95903	2.0
79.05522	2.1
81.03454	15.8
85.02944	1.0
89.02456	0.5
93.03447	0.9
101.02431	1.7
101.06075	0.6
101.15774	0.4
105.03452	0.6
109.02978	0.5
119.05004	1.0
122.03733	1.9
123.04525	93.5
124.04847	3.1
125.02458	0.9
135.08150	0.6
135.66058	0.5
137.02441	1.2
137.06093	1.1
139.11317	3.6
147.04535	0.5
149.02431	1.8
152.99588	3.5
161.04601	0.5
163.11345	3.3
164.11646	0.5
165.05513	0.5
165.09213	1.7
171.63638	0.5
172.76765	0.5
173.04625	0.4
204.04222	0.6
207.10252	100.0
208.10571	6.1
231.10245	0.9
233.08212	5.7
234.08472	0.6
234.21893	0.5
249.11299	1.1
251.09225	1.7
369.15448	0.8
381.13593	0.7
413.14499	77.8
414.14838	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	413.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20362	0.2
57.03446	5.7
59.01376	2.6
60.61497	0.2
63.02405	0.4
63.61667	0.2
64.08117	0.2
65.00322	0.6
65.76733	0.2
66.65756	0.2
69.22413	0.2
69.30010	0.5
69.30411	1.4
69.99835	0.2
71.01379	1.0
77.47489	0.2
81.03448	2.6
81.03882	0.3
83.01385	8.0
85.02937	0.2
89.02441	0.4
93.03481	0.3
95.05044	0.2
97.02950	0.8
101.02472	0.5
105.03480	0.4
107.01397	1.2
108.67751	0.2
111.04507	0.2
111.98796	0.2
113.02462	0.5
121.02930	0.9
123.04534	0.7
123.08176	0.2
124.01693	0.3
125.02447	100.0
125.06046	2.6
126.02774	2.7
131.01357	0.2
136.96901	0.2
137.02472	0.5
139.04019	2.1
139.93147	0.2
149.02437	12.5
150.02751	0.5
151.00357	1.7
161.04553	0.5
163.04062	0.2
164.59810	0.2
165.09213	0.7
167.03490	5.5
173.02449	0.7
179.03482	1.2
185.17148	0.2
186.79451	0.2
191.03485	0.5
203.03398	0.2
204.04356	0.3
205.39613	0.2
209.04565	0.3
209.08145	1.2
233.08170	2.5
251.09236	13.3
252.09612	1.2
275.09259	3.3
276.09491	0.3
287.07709	3.8
288.08307	0.2
293.10159	1.1
305.10355	0.2
329.08939	0.2
353.12344	0.4
395.13483	0.2
413.14511	13.6
414.14856	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	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09838	0.5
57.03450	15.7
59.01375	9.6
61.70942	0.5
65.00328	1.1
70.80069	1.6
71.01370	2.3
78.26331	0.6
81.03471	2.2
83.01385	13.3
85.02947	0.6
89.02441	1.5
93.03432	1.1
101.02442	3.5
107.01402	1.3
113.02415	0.9
119.03543	1.1
119.97914	0.6
121.02937	1.9
123.04539	1.3
125.02447	100.0
125.06070	7.2
125.19311	0.5
126.02799	4.3
127.00371	2.9
137.50099	0.5
139.04033	0.8
145.01378	2.0
149.02434	8.6
151.00395	2.3
167.03510	4.5
169.01472	1.8
179.00063	0.7
203.03482	1.6
204.04320	2.8
223.13399	7.2
233.08183	24.6
234.08496	2.1
251.09232	29.1
252.09616	2.0
267.12396	7.4
287.07770	1.8
313.05728	1.9
413.14478	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	413.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
59.01380	0.9
61.98832	0.2
63.02413	0.2
63.39116	0.1
65.00318	0.7
69.03447	0.1
69.71260	0.6
71.01347	0.2
71.05017	0.2
77.15828	0.1
79.49658	0.1
80.02662	0.1
81.03458	4.7
82.03810	0.1
83.01385	1.5
89.02462	0.1
93.03434	0.2
95.01395	0.2
95.05045	0.1
98.20664	0.1
99.08157	0.8
101.06077	0.9
102.98602	0.1
107.01377	0.7
121.02953	0.2
121.06572	0.3
123.08161	2.6
124.01635	0.2
125.02447	9.0
125.06078	5.2
126.02789	0.2
126.06426	0.2
136.05321	0.8
137.02499	0.1
137.06050	0.3
139.03984	0.1
141.09192	0.6
147.08159	1.2
149.02467	1.1
149.06052	0.2
151.00371	1.5
152.01094	0.2
165.09204	25.0
166.09535	1.1
167.03471	0.3
167.07169	0.4
179.03427	0.1
191.07144	1.9
203.94572	0.1
204.04207	0.1
205.08739	0.4
209.08188	100.0
210.08519	6.3
233.08127	1.3
234.08571	0.2
251.09227	2.1
252.09618	0.1
413.14594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.0
57.12798	0.3
59.01376	3.7
63.25483	0.3
65.00320	0.7
65.48139	0.3
69.03448	0.4
70.65910	0.7
71.01370	1.7
81.03470	2.2
83.01385	12.3
85.02954	0.6
89.02462	1.1
96.16033	0.3
97.02995	0.4
100.74861	0.3
101.02445	1.3
103.92462	0.3
104.51536	0.3
105.03436	0.5
107.01401	1.2
113.02445	0.9
119.03506	0.8
121.02942	1.3
123.04527	0.7
125.02444	100.0
125.06064	5.8
126.02790	2.9
139.04031	0.4
148.97794	0.3
149.02435	8.3
151.00372	2.4
153.01991	0.3
155.70554	0.2
161.04562	0.3
167.03487	4.0
169.01436	0.7
179.03441	0.4
193.01399	0.4
203.03543	2.0
204.04283	2.0
223.13344	0.4
233.08180	24.2
234.08553	1.4
251.09245	25.1
252.09514	1.4
267.12515	0.3
275.09106	0.4
287.07736	1.8
313.05676	1.1
413.14517	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05626	0.5
57.03442	1.9
59.01376	2.3
60.99708	0.5
64.22592	0.6
68.55592	0.5
68.99829	0.6
69.03445	0.8
70.27137	2.0
71.01369	1.3
71.05000	1.5
79.05541	1.2
81.03453	14.2
83.01384	2.4
89.02385	0.6
93.03458	1.0
95.01371	0.9
95.05016	6.4
97.02957	3.9
99.04516	11.6
101.02448	0.6
105.03453	0.7
107.05054	1.4
111.04544	1.7
113.02472	0.8
119.05018	0.7
123.04538	10.8
124.04778	0.6
125.02451	32.4
126.02813	0.9
137.01456	0.7
137.02438	5.0
137.06116	0.7
138.98671	0.5
139.04018	4.6
149.02385	1.3
151.04015	1.1
163.11249	2.2
165.05556	0.5
167.03494	100.0
168.03842	3.2
179.03500	2.1
181.07115	0.5
197.04555	18.9
198.04860	0.8
207.10266	16.5
208.10690	0.7
218.94234	0.7
224.47760	0.5
231.10249	1.4
249.11217	1.4
251.05768	0.5
269.06616	1.8
279.12442	1.7
287.07721	11.5
288.07861	0.7
293.10358	17.2
294.10657	1.0
323.11371	5.0
369.15256	1.1
413.14511	13.5
414.15045	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.5
59.01380	6.8
60.01713	0.4
60.83125	0.2
61.98831	100.0
65.00339	0.4
69.76842	0.5
69.77251	1.0
70.01674	0.3
70.28966	0.2
71.01378	2.3
72.94783	0.3
73.02962	0.4
81.03469	1.6
83.01384	5.1
83.01833	0.5
84.62521	0.3
85.02962	0.8
85.95905	0.3
87.00883	0.3
89.02440	1.5
93.03482	0.8
97.02953	0.6
101.02457	1.5
102.98616	1.0
107.01389	0.6
113.02461	0.9
119.05018	1.1
121.02937	0.7
123.04498	0.6
125.02448	44.2
125.06087	3.2
137.02473	0.4
149.02448	3.6
151.00394	1.2
161.04622	0.5
162.08380	0.3
163.03989	0.6
165.09200	1.7
167.03481	1.8
169.01431	0.5
173.04597	0.5
203.03574	0.6
204.04288	1.1
209.08211	7.0
223.13417	0.5
233.08189	9.9
251.09242	11.5
251.16652	0.4
267.12341	0.8
287.07730	0.9
313.05823	0.5
413.14633	2.1
413.21695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69621	0.4
59.01381	100.0
60.01724	1.3
60.25409	0.3
61.98835	0.5
71.52859	0.5
71.53243	0.6
88.64286	0.3
180.72928	0.4
245.57426	0.4
354.44360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96616	0.3
59.01384	2.4
59.14452	0.3
60.99315	0.9
61.98830	100.0
70.04980	1.3
71.01384	0.8
73.02956	0.2
85.02991	0.5
87.00902	0.9
88.98804	6.9
89.02458	0.6
93.03484	0.5
98.20608	0.3
101.02447	0.8
113.02488	0.4
119.84049	0.3
129.54163	0.3
137.02414	0.5
165.69592	0.3
173.04594	0.6
191.05679	0.8
281.14136	1.1
352.20584	1.5
391.73557	0.3
413.14716	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.4
59.01381	5.7
61.98830	100.0
71.01387	2.6
71.53029	0.4
73.02976	0.5
74.20123	0.3
75.00882	0.6
83.01394	0.7
85.02953	1.6
87.00878	0.7
89.02452	1.9
93.03467	1.0
95.01426	0.6
96.96027	0.5
101.02454	1.7
106.65765	0.4
111.28629	0.3
113.02468	1.8
119.03542	0.9
119.05050	0.4
121.06866	0.4
125.02437	0.4
129.01974	0.4
137.02449	0.4
140.18217	0.4
143.74057	0.3
161.04533	0.7
163.04074	0.9
166.33142	0.3
167.03488	1.0
168.04318	0.5
173.04608	0.6
183.15465	0.3
196.06085	0.4
214.63702	0.3
223.13443	0.4
251.16537	0.5
265.08948	0.5
267.12494	1.2
274.21878	0.4
403.80060	0.3
413.09042	0.5
413.22067	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97169	0.9
55.01875	1.9
57.03441	2.2
59.01380	100.0
60.35138	0.9
61.98833	52.9
63.79713	1.1
69.47829	4.2
69.48252	2.1
70.58513	0.9
71.01382	19.2
72.99294	1.3
73.02932	6.6
80.79457	0.9
83.01382	3.9
84.49892	1.0
85.02961	10.0
87.00873	2.3
88.98802	1.1
89.02442	9.1
93.35772	1.2
95.01393	1.3
96.96025	1.4
97.71603	1.0
98.19839	0.9
99.00899	1.3
101.02448	18.3
111.00835	1.0
113.02457	8.7
119.03532	5.3
125.02448	1.9
128.66670	0.9
159.03018	2.2
161.04541	6.7
167.03444	1.2
172.48807	1.0
189.14975	3.0
191.05577	1.4
225.84334	1.1
227.68294	1.1
284.71652	1.0
324.62439	1.2
346.32758	1.0
351.20224	95.8
352.20773	6.8
352.24515	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01709	1.3
61.13898	0.4
71.22702	0.5
82.58566	0.4
88.80230	0.3
92.84682	0.3
97.45889	0.3
123.33913	0.4
261.47452	0.4
290.24869	0.4
346.93564	0.4
387.15012	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24323	20.2
56.14708	22.7
59.01376	38.8
59.50737	23.4
65.07969	20.9
70.06277	47.1
70.06673	46.6
71.58940	21.4
78.33172	22.2
78.69467	23.6
84.69331	23.6
85.85489	23.1
87.00867	51.4
98.20049	28.2
154.21506	24.8
294.78491	24.4
322.91901	21.6
393.22763	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	411.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85641	14.0
56.89177	14.0
57.03441	14.8
67.93214	12.7
69.41326	100.0
74.04794	17.9
78.40989	16.1
87.00874	21.2
103.71049	12.0
177.71004	12.8
237.42912	15.4
241.66551	12.2
393.22726	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	51.7
61.98839	26.9
69.41876	100.0
80.43105	16.2
113.02532	12.1
115.65278	12.7
197.97690	15.0
217.42870	12.9
321.51068	14.6
411.10709	32.6
428.06543	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	411.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92928	1.0
55.01855	1.5
57.03432	1.4
59.01380	100.0
60.01710	1.1
61.98830	45.1
70.13423	3.9
71.01388	19.9
71.67366	1.0
72.99298	1.2
73.02950	4.4
83.01393	3.1
85.02959	7.0
87.00874	2.8
87.55524	0.9
88.51083	1.0
88.98811	1.9
89.02443	7.8
95.01354	1.4
96.95985	1.0
99.00882	2.0
101.02441	19.0
111.00865	1.2
113.02439	7.3
119.03494	3.7
129.01912	1.1
159.03004	1.8
159.50600	1.0
161.04564	9.2
163.04085	1.0
167.03473	1.5
179.05545	1.5
189.14941	2.2
251.78317	1.0
301.58853	1.0
304.24164	0.9
351.20233	83.3
352.20566	8.3
374.12332	1.0
411.12714	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	44.3
61.98833	13.4
69.58025	20.0
71.01382	20.1
85.02951	7.2
87.00932	3.2
88.51741	3.1
89.02441	14.6
91.61892	2.8
93.03452	3.4
93.29387	3.0
98.20654	5.3
101.02431	10.1
113.02453	11.9
119.03481	5.3
134.03734	3.4
143.03560	4.6
154.55319	3.1
161.04604	4.1
161.13382	3.7
179.05669	4.8
183.13878	9.4
187.11230	5.4
195.13901	6.4
205.12328	30.7
208.23189	3.2
213.14949	100.0
214.15356	5.0
229.12289	4.3
249.11351	6.9
249.14946	6.6
411.18167	10.1
429.10751	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	411.1272
Annotation	t(6)a
Peak:m/z	Relative Intensity
59.01376	13.9
59.58425	0.8
61.98834	9.8
71.01371	4.2
71.52803	1.1
72.00909	30.3
73.02921	1.1
74.02474	15.7
85.02956	1.8
87.00862	1.4
89.02425	2.6
91.05530	3.0
91.19617	0.9
93.03468	1.8
96.96016	2.2
99.04565	1.0
99.54573	0.9
100.00406	37.2
100.04018	2.2
101.00710	1.0
101.02431	2.1
113.02446	1.5
117.07094	7.2
118.05107	100.0
119.03532	1.5
119.05463	2.0
120.99574	1.0
137.02397	1.0
137.06133	0.9
141.09181	1.6
144.03032	34.1
145.03311	1.6
145.06490	1.0
160.02568	4.2
161.04543	1.3
163.03975	1.1
173.04553	2.1
189.05542	16.2
191.05592	2.5
205.76427	1.1
225.11287	2.1
279.05676	1.0
406.09122	1.2
411.07605	1.0
411.13586	2.9
411.18658	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00803	1.5
54.76942	1.4
56.92388	1.4
57.03436	7.1
58.00580	1.7
59.01381	63.7
61.98832	10.4
71.01005	3.2
71.01380	39.6
71.53941	2.4
71.54292	1.7
72.99304	3.5
73.02951	3.9
80.32254	1.8
81.03426	1.8
83.01398	3.1
83.05032	5.9
85.02953	11.7
87.00888	2.9
88.38936	1.5
89.01933	2.8
89.02445	36.2
89.28840	1.4
93.03442	4.7
95.01389	2.8
98.23840	1.7
99.04502	5.1
101.02449	18.6
107.05003	3.0
111.04482	1.6
113.02446	21.3
119.03524	12.2
119.04958	2.3
120.05815	3.1
121.06561	1.6
123.04527	1.9
123.08145	2.0
125.02533	2.0
127.48201	1.5
134.03673	2.3
143.03482	5.2
155.03561	1.9
159.11780	1.9
161.04547	8.4
161.13382	14.4
173.04491	2.8
173.47139	1.7
179.05606	6.6
185.13225	3.5
187.11285	13.5
205.12329	100.0
206.12750	8.5
211.13469	2.6
213.14900	2.4
219.13866	3.6
223.13264	2.4
229.12308	15.4
231.10191	2.1
237.14929	6.0
247.13533	1.9
249.11273	36.1
249.14923	5.7
250.11594	3.4
259.13327	3.7
273.11365	2.1
291.12320	4.2
411.19968	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	411.0237
Annotation	Turgorin
Peak:m/z	Relative Intensity
54.93045	0.4
59.01386	2.8
61.98826	1.6
67.90076	0.5
70.08056	1.5
71.01392	3.3
74.23346	0.5
77.27586	0.6
79.95738	3.3
80.96507	2.7
83.08458	0.5
85.02962	1.5
87.00877	1.5
87.58047	0.6
89.02451	1.0
95.01391	0.6
96.96013	100.0
97.02943	0.7
101.02420	2.3
103.44665	0.4
105.04413	0.5
113.02428	1.0
123.00890	0.5
125.02448	13.4
138.96062	0.8
138.97081	10.4
150.03239	0.7
150.97041	1.1
161.04570	0.8
164.98636	0.8
165.05518	2.2
168.98131	0.9
169.01419	20.3
170.01755	0.8
173.00911	0.5
180.98154	1.3
195.06635	0.9
222.99164	2.5
241.00235	59.3
242.00502	2.2
248.97398	0.5
297.08432	0.6
307.06860	0.5
327.10892	1.0
331.06714	2.3
411.02365	51.6
412.02536	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	21.0
59.01370	15.0
60.32252	3.7
67.01889	8.1
68.99561	12.5
70.18458	14.9
71.01379	85.7
72.99286	4.7
73.02948	16.7
75.00873	5.4
76.97869	3.7
83.01384	27.3
85.02943	24.1
87.00883	11.3
99.00881	64.5
101.02444	6.7
107.53377	4.0
111.00879	44.7
112.98815	100.0
115.00352	18.0
129.01942	66.2
130.08717	21.6
142.96573	4.0
142.99843	18.5
145.01396	18.7
151.94408	4.6
173.00911	62.5
178.41521	4.3
205.03636	4.4
211.19571	4.1
215.81067	3.9
237.09790	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	411.0239
Annotation	Turgorin
Peak:m/z	Relative Intensity
59.01375	8.8
61.98822	4.4
62.56047	0.9
69.28068	6.9
71.01386	5.7
71.12930	0.8
71.93939	0.8
72.95805	0.7
73.02937	0.9
79.95738	3.1
80.96494	2.2
81.70646	0.8
83.01394	1.6
85.02946	3.3
87.00854	1.6
88.98831	1.1
89.02448	4.8
96.96013	100.0
101.02424	4.3
113.02461	2.7
118.05094	0.8
119.03495	1.4
125.02454	23.5
126.02777	1.3
135.06651	1.9
137.02463	1.2
141.09181	1.1
150.97018	1.0
162.78934	0.9
166.96512	1.2
168.00572	1.7
169.01422	40.8
170.01778	2.0
179.05566	1.5
191.01912	1.1
193.04951	1.9
222.99216	1.1
225.11316	2.1
241.00226	82.3
242.00546	2.5
297.11914	9.3
331.06775	8.1
332.07379	1.0
411.02380	83.1
412.02740	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	409.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47436	1.0
57.03445	2.8
58.71646	1.1
59.01383	23.4
59.01677	1.0
61.16794	0.9
61.98828	13.0
67.01874	1.3
69.03461	1.9
69.44259	1.8
69.44672	5.9
71.01375	7.2
73.02942	2.0
79.00723	1.0
81.03461	3.4
83.01394	3.8
85.02956	5.2
87.00871	3.2
89.02460	1.9
91.98832	1.0
93.03472	2.1
94.67444	1.0
95.01387	1.2
96.95995	4.3
97.06590	1.1
101.02431	5.5
113.02441	3.7
115.20620	1.0
123.04533	5.8
123.08184	2.4
125.02447	6.3
125.06087	3.7
135.04559	2.1
137.02463	1.2
145.02885	1.6
157.01364	2.2
161.04607	3.4
163.03954	2.1
163.11273	2.7
163.40730	1.1
165.05632	2.0
165.09213	22.3
173.04562	1.4
175.04033	2.9
191.05536	1.2
191.07191	1.3
203.10820	1.1
207.10307	7.4
208.10716	1.0
209.08186	100.0
210.08485	8.5
211.08751	4.3
211.13319	1.3
219.10355	2.5
219.13895	1.7
231.10246	3.0
233.11745	1.6
235.13353	1.3
244.07343	3.9
245.08038	1.2
247.09843	1.1
247.13358	2.0
249.11661	8.4
258.93454	1.0
259.09711	11.8
277.11063	1.7
277.14380	2.8
303.12366	2.7
321.13370	6.0
337.12943	1.8
347.11362	2.5
349.18610	3.7
371.13403	14.6
372.13937	1.9
373.13989	2.4
409.09860	1.4
409.23981	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	409.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12411	0.7
59.01382	3.4
60.82026	0.9
64.11211	0.8
66.42324	0.8
70.44723	1.0
70.45056	1.6
71.01384	1.6
73.02937	2.2
78.95910	1.3
115.92021	1.9
116.92885	2.4
131.03487	2.9
180.89020	1.2
207.18933	1.0
277.21707	100.0
278.22012	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	410.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01075	0.6
59.01377	14.5
61.98829	100.0
69.21410	2.8
69.21817	0.8
71.01389	2.6
73.02946	3.4
83.01402	1.0
85.02952	0.4
89.02457	1.6
89.11415	0.4
91.22423	0.4
93.03503	0.5
96.96026	0.6
101.02433	3.7
101.02908	0.3
113.02468	1.1
113.81667	0.4
119.03522	0.6
149.04555	0.9
155.03485	0.4
161.04573	1.2
173.04582	1.7
179.05612	0.5
203.05571	0.5
203.57581	0.4
218.61539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.6
57.03444	14.6
59.01381	85.0
61.98832	7.8
71.01382	62.3
71.53654	2.3
71.69989	1.6
71.99018	1.9
72.99307	1.9
73.02953	17.3
74.50645	1.7
83.01389	7.3
85.02948	25.0
87.00874	16.6
89.02447	29.8
93.03458	1.6
95.01381	5.7
96.96011	14.9
97.03008	2.3
99.00886	7.3
101.02456	45.9
105.32508	2.0
110.73043	1.6
111.00927	1.6
111.04575	2.3
113.02446	23.5
119.03488	10.2
119.05008	1.9
123.04545	2.8
125.02463	3.6
129.01939	2.8
131.03535	2.9
135.04485	2.3
141.09222	12.7
143.03523	2.5
143.10768	4.6
145.01465	3.8
154.65152	1.6
155.03680	2.3
159.02997	5.5
159.11818	3.1
161.04568	38.4
206.40314	1.8
247.09740	3.5
255.03876	2.1
259.09698	1.9
259.15509	4.1
263.12872	4.4
307.89804	1.9
349.18668	100.0
350.18991	6.6
409.10373	2.9
409.18539	2.3
419.54004	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.236
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
59.01365	0.5
61.98830	1.7
71.05013	2.1
78.95902	74.3
96.96956	5.8
98.20663	1.4
121.85378	0.5
150.97977	2.0
152.99585	100.0
153.99901	1.9
155.90663	0.4
156.44727	0.5
163.11301	5.0
171.00676	2.7
216.52254	0.6
233.15498	1.4
255.23305	1.8
305.48703	0.5
325.18771	0.6
337.21524	1.6
409.23578	15.3
409.27771	4.1
410.23969	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	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93321	1.1
55.01877	1.9
57.03438	1.5
58.00595	2.2
59.01379	100.0
60.01712	1.4
61.98832	57.7
69.88698	4.0
71.01382	39.0
72.99303	1.7
73.02942	9.3
75.00874	2.5
76.56602	1.1
80.05591	1.0
83.01386	4.5
85.02956	12.8
87.00854	3.2
88.55052	1.1
89.02444	33.9
95.01389	3.1
96.96004	2.9
99.00877	2.5
101.02447	35.7
113.02451	20.5
119.03502	13.2
125.02512	1.8
131.03490	1.4
143.03490	4.4
143.37233	1.2
159.03006	2.2
161.04558	24.3
161.05879	1.3
173.04561	1.1
179.05624	8.8
187.13403	16.0
203.45758	1.0
263.15036	2.7
275.70901	1.1
349.18649	50.5
350.19049	4.8
369.82468	1.3
409.09610	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
58.00581	1.8
59.01379	65.8
60.01726	1.5
61.98831	7.5
69.03436	1.0
69.66972	1.7
69.67385	2.7
70.07447	0.7
71.01382	28.5
72.99315	2.6
73.02934	2.4
75.00868	0.7
81.42213	1.0
83.01363	1.7
85.02958	7.0
87.00875	2.2
87.04500	1.3
89.02443	33.9
93.03488	0.8
95.01387	2.4
97.06587	2.5
99.00874	0.9
101.01802	1.5
101.02447	22.4
111.00878	1.1
113.02449	17.1
114.02749	1.0
119.03501	14.1
119.04866	0.8
120.99657	1.3
125.02408	3.2
131.03487	2.6
133.05019	1.4
135.04440	0.9
143.03461	2.0
149.04556	1.2
159.06679	3.7
159.07800	0.7
161.04561	3.7
173.04559	0.9
179.05554	1.7
201.11235	0.9
259.11581	0.6
277.09250	0.9
290.37247	0.8
295.10330	100.0
296.10641	8.0
296.79205	0.7
321.04294	1.0
334.24161	0.7
349.18619	10.7
350.19513	0.8
409.13333	9.7
409.21249	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	79.7
61.98828	30.6
63.79698	10.6
63.84663	11.8
70.22890	11.0
71.06516	15.5
71.06863	24.7
75.26183	11.3
77.13596	11.2
88.77924	10.5
92.77998	12.1
94.23076	11.3
99.92588	81.1
99.97076	11.2
109.92315	14.2
115.92064	47.9
116.92853	100.0
322.05151	34.5
355.57013	14.2
388.39783	14.4
409.13242	43.1
428.81546	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	409.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98816	38.0
71.01389	11.9
73.02931	7.1
77.01196	5.6
79.81921	4.8
81.57767	5.4
93.03466	7.1
96.95970	5.4
97.02962	5.4
101.02430	14.3
103.61739	5.5
113.02441	8.7
119.05093	6.4
135.04491	7.8
137.02356	6.4
159.02950	24.0
159.11742	12.1
161.02379	5.9
207.10266	6.6
214.38094	5.4
247.09734	13.6
249.11292	9.7
300.17056	4.9
347.11185	6.6
349.22388	10.9
409.19751	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.8
59.01377	22.4
61.98829	4.4
67.01905	2.7
69.03457	2.6
71.01381	3.1
79.05528	5.1
81.03455	6.4
83.01391	13.3
83.05022	2.5
85.02939	1.7
87.00871	4.7
89.59216	1.2
98.20779	2.4
99.08145	1.9
101.02430	1.7
101.06059	2.3
105.07068	3.5
107.05075	2.1
109.02974	2.0
111.00875	3.0
113.02454	1.6
123.04527	49.0
123.08170	4.4
124.04842	2.5
125.02367	1.8
125.06055	1.9
135.04512	18.5
137.06061	2.6
139.11292	5.6
143.95590	1.3
147.04539	2.0
149.02493	1.6
149.06114	9.3
149.09755	1.4
157.01358	1.6
161.02477	7.5
162.03230	3.2
163.11290	16.3
165.05548	8.6
165.09216	9.5
174.03201	2.5
175.04027	8.9
175.07643	6.5
176.04344	1.4
187.11279	2.2
189.12917	6.6
189.14398	1.4
191.07198	2.1
193.08673	2.8
201.05545	2.2
205.12346	6.3
207.10254	63.6
208.10556	5.2
209.08200	8.5
215.10684	3.5
215.14134	1.9
217.08737	16.2
219.06564	3.6
219.10249	42.5
220.10593	3.4
231.10245	15.3
233.08182	1.9
233.11818	16.5
234.05502	1.9
244.07404	20.3
245.08156	33.5
246.08960	36.1
247.09407	3.8
249.11319	46.5
250.11604	3.4
259.09741	100.0
259.13293	9.5
260.10117	8.8
275.12784	8.1
277.10846	7.3
277.14413	36.1
277.17374	2.1
278.14786	3.9
303.08862	3.1
303.12332	63.1
304.12637	4.3
319.12079	1.6
321.13394	53.3
322.13739	4.4
337.12909	15.1
338.13257	1.9
347.11270	20.2
348.11810	2.1
349.22174	2.1
365.12280	4.1
381.11835	1.7
409.11292	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	409.0927
Annotation	Orlandin
Peak:m/z	Relative Intensity
59.01373	5.3
61.98817	2.2
70.99726	3.5
141.62914	2.3
174.54445	2.3
191.74666	2.3
204.05832	2.0
223.03992	2.2
224.04707	3.5
225.05554	10.6
233.06044	4.6
233.09669	1.8
234.03217	2.2
237.09161	4.2
239.07251	2.5
240.04561	1.9
246.06870	3.2
247.04054	3.3
247.07466	3.1
248.04788	7.7
249.05531	2.9
250.02660	3.2
251.03462	9.8
252.04179	4.9
254.54240	1.8
260.92206	2.0
261.05637	3.5
261.09189	2.1
262.06345	4.2
263.07034	7.0
264.04214	3.8
265.08649	6.0
267.06647	8.9
268.03760	7.3
273.05704	2.9
275.03506	4.7
276.04276	4.5
277.08679	5.4
279.06125	2.0
289.05118	9.4
289.08679	8.0
290.05759	12.1
291.06534	20.9
292.03839	17.5
292.06882	3.1
293.04578	10.6
294.05167	6.8
303.06418	3.6
304.03757	10.0
304.06955	2.9
305.08145	30.7
306.08548	3.5
307.05927	3.3
309.07687	62.1
310.08047	7.3
317.04517	8.6
318.05200	11.1
319.09607	2.4
321.11279	4.1
331.06097	3.8
333.07678	100.0
334.07883	10.7
335.05542	10.5
349.07059	3.6
359.05881	2.3
365.05692	3.8
365.10272	70.1
366.10583	6.4
377.06650	67.9
378.06912	4.8
409.09235	72.3
410.09494	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	409.0928
Annotation	Orlandin
Peak:m/z	Relative Intensity
52.89121	0.5
59.01372	1.2
61.98831	1.0
66.20205	0.5
66.90309	0.6
71.15680	0.9
83.01408	1.3
95.01418	0.5
99.92590	0.7
110.86517	0.6
115.92107	1.0
129.42136	0.5
133.02948	0.7
148.24252	0.6
181.06500	0.8
193.06555	0.9
195.04485	0.6
209.06071	1.3
211.04015	2.8
221.06070	1.7
223.04012	1.7
225.05421	0.8
233.06049	4.1
235.03954	7.9
236.04567	1.2
236.51518	0.5
237.05603	3.7
241.05016	0.6
248.04662	1.5
249.05554	3.6
253.05067	3.5
259.03928	0.6
260.04718	0.6
263.07144	1.5
265.05038	9.8
265.08475	1.0
266.05499	1.0
267.06744	0.8
276.04181	0.6
277.05051	18.2
277.08295	1.0
278.05542	1.5
278.09421	2.3
280.03430	0.6
289.08780	1.7
291.03418	0.7
291.06476	2.6
292.03812	3.8
293.04413	2.4
293.07492	0.6
297.11499	0.7
303.03159	0.6
304.03745	1.4
305.04745	1.3
305.08136	2.6
306.08926	1.3
309.04013	4.0
317.04590	2.5
318.05200	1.3
321.04016	13.8
321.07639	1.1
322.04333	1.5
322.08231	0.9
323.08997	0.8
324.06412	7.5
333.07642	5.3
334.08173	1.1
335.09216	1.4
349.07224	1.2
350.07840	2.8
356.05316	1.2
365.10272	100.0
366.10580	10.9
409.09293	13.5
410.09579	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	407.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.8
58.18195	0.7
59.01381	100.0
59.60003	0.7
60.01709	1.1
61.98833	2.1
63.36489	0.8
70.71062	1.5
70.71436	1.7
71.01401	6.8
73.02968	1.1
75.00872	1.2
79.97596	0.8
85.02953	3.3
87.00884	2.1
89.02468	5.2
93.03496	2.1
101.02454	3.8
113.02449	5.1
119.03505	3.7
123.04501	1.1
141.12883	1.0
150.03162	1.6
161.04591	1.6
163.03984	1.1
165.01947	6.4
165.05595	1.7
165.12915	1.0
170.21989	0.9
171.10277	1.3
173.04562	3.8
180.04282	2.9
183.13937	2.2
185.11830	75.1
186.12206	3.8
191.05711	0.9
195.06598	5.9
209.11816	2.3
210.05333	0.9
225.07626	4.2
227.12953	4.9
245.06934	0.9
275.09689	1.0
311.31671	0.9
330.37137	0.9
347.17169	3.1
407.19073	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	407.2205
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01379	3.6
61.98803	0.5
70.07092	1.7
78.95903	100.0
82.49896	0.6
96.96956	9.6
145.65201	0.5
148.11510	0.5
150.98004	1.3
152.99583	88.3
153.99937	1.3
171.00638	71.3
172.01099	1.0
181.98566	0.5
242.94345	0.5
304.76001	0.5
325.18427	0.7
407.22046	5.0
408.22736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.8
58.18195	0.7
59.01381	100.0
59.60003	0.7
60.01709	1.1
61.98833	2.1
63.36489	0.8
70.71062	1.5
70.71436	1.7
71.01401	6.8
73.02968	1.1
75.00872	1.2
79.97596	0.8
85.02953	3.3
87.00884	2.1
89.02468	5.2
93.03496	2.1
101.02454	3.8
113.02449	5.1
119.03505	3.7
123.04501	1.1
141.12883	1.0
150.03162	1.6
161.04591	1.6
163.03984	1.1
165.01947	6.4
165.05595	1.7
165.12915	1.0
170.21989	0.9
171.10277	1.3
173.04562	3.8
180.04282	2.9
183.13937	2.2
185.11830	75.1
186.12206	3.8
191.05711	0.9
195.06598	5.9
209.11816	2.3
210.05333	0.9
225.07626	4.2
227.12953	4.9
245.06934	0.9
275.09689	1.0
311.31671	0.9
330.37137	0.9
347.17169	3.1
407.19073	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	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64745	1.2
57.03426	2.1
58.02959	6.2
58.99589	3.5
59.01377	100.0
59.03313	1.7
59.96208	1.2
60.01693	1.5
61.44600	1.1
61.98844	2.5
65.71716	1.3
71.01383	21.9
71.04993	1.4
71.52106	1.3
72.99326	1.6
73.02944	3.3
74.02465	10.2
82.02970	1.4
85.02952	7.9
86.02476	4.1
87.00859	3.1
87.05621	1.9
89.02441	28.0
93.03447	1.3
95.01352	2.4
99.05645	6.2
100.05996	1.4
101.02438	15.9
101.07222	2.3
102.05576	1.6
102.98584	1.9
109.04044	1.4
112.04068	1.4
113.02444	13.1
119.03477	13.5
128.03537	20.2
129.03885	7.3
131.03516	1.7
133.06897	4.2
135.05611	2.6
143.03564	2.3
143.04610	28.2
144.05016	9.3
146.04585	2.7
147.04739	1.1
151.04005	1.6
153.06682	1.9
154.07066	1.5
161.04535	10.3
161.31123	1.2
164.07086	2.6
167.08180	1.3
177.87268	1.2
179.05821	9.3
180.04852	2.7
185.11707	1.5
198.06061	1.3
210.08772	3.8
211.09073	3.7
247.11748	2.1
254.07796	10.1
255.08102	8.5
257.13010	3.0
272.08932	9.0
273.09174	12.2
274.09262	3.1
287.10544	2.2
287.13983	3.8
308.07422	3.8
309.07651	5.1
313.08350	2.3
313.11591	1.3
331.09314	2.3
331.13019	3.1
347.17044	17.2
348.17346	1.9
363.10260	1.6
389.15497	3.7
407.08725	3.5
407.16635	27.3
407.22217	1.1
408.08759	1.2
408.16129	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	407.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	4.9
59.01384	68.2
61.98815	9.6
66.16745	2.5
71.01376	5.5
71.17414	5.6
79.95726	5.8
89.02455	4.0
93.03466	3.4
96.95383	5.4
96.96012	100.0
101.02467	5.9
120.99700	3.3
141.22891	2.9
166.74710	3.2
175.04028	5.9
184.73985	2.9
199.50121	2.7
209.08110	8.9
218.93259	3.1
221.15500	3.2
221.64056	2.7
226.42619	2.9
237.77017	3.1
245.05663	3.9
245.08031	4.7
259.09708	41.1
260.10129	5.1
322.43094	3.4
407.08093	28.4
407.18198	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46684	1.3
57.03447	7.4
59.01379	100.0
60.01696	1.4
61.98822	5.8
63.40370	1.4
71.01382	38.6
71.53357	1.6
72.99310	2.3
73.02946	5.1
83.01381	2.5
85.02948	9.8
85.62910	1.2
87.00874	5.2
89.02442	49.3
90.02786	1.5
95.01379	2.3
99.00916	1.9
101.02446	26.0
102.02753	1.5
108.95407	1.4
113.02453	18.6
119.03498	18.1
125.02459	3.6
131.03490	6.7
137.02370	1.5
143.03503	4.3
149.04562	2.0
149.09717	4.5
161.04544	15.3
167.10709	1.6
173.04597	3.6
179.05612	35.8
179.07195	2.1
183.10297	1.8
220.35519	1.4
221.06656	4.6
227.13089	2.4
233.06566	2.3
255.02933	2.0
256.03867	2.0
261.13419	5.3
287.10312	3.3
291.10016	1.4
293.08762	2.5
313.08212	5.3
331.09229	4.2
347.17014	10.7
357.82150	1.7
407.07523	5.6
407.11566	2.7
407.19327	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	407.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.5
57.40144	1.2
59.01381	60.2
60.01716	1.5
61.98820	5.1
65.99846	2.5
71.01384	12.5
71.52460	1.1
71.52871	1.5
73.02967	2.8
78.40804	1.0
82.02985	8.7
83.01379	3.0
85.02949	4.2
89.02448	10.8
93.03463	1.9
95.01369	1.6
99.00904	1.1
101.02449	8.4
106.03002	2.0
113.02444	6.8
119.03468	4.5
120.99667	1.5
125.02454	8.8
136.04028	1.7
137.02477	1.3
152.01044	1.2
153.49049	1.1
160.07649	3.3
161.04558	5.0
162.04379	1.6
164.03526	6.0
166.02756	1.4
173.04616	1.9
174.05698	2.3
179.03473	1.9
179.05588	6.6
188.07159	4.9
200.07124	1.7
202.08839	2.9
204.05309	1.7
214.05107	1.6
215.04630	2.3
215.08302	1.6
216.05336	4.8
216.06998	2.0
216.10312	2.9
217.02556	6.0
217.06065	6.3
218.06786	2.8
227.04904	1.2
228.06697	3.8
229.06096	11.0
230.03331	2.3
230.06810	2.8
231.07690	12.2
232.08440	5.2
241.06093	3.4
242.03221	3.5
243.04086	23.0
243.07706	3.6
244.04843	14.4
244.09816	12.2
245.09290	3.9
246.06494	1.2
248.09285	3.5
249.05284	2.3
254.06989	1.5
256.04926	6.3
257.05673	18.9
258.06326	6.0
259.07205	43.8
259.10822	5.6
260.07278	2.3
261.13443	1.3
269.09406	3.0
270.06924	1.1
271.07233	25.8
272.07950	1.8
285.08853	4.7
287.10370	75.9
288.08688	6.0
288.11005	3.6
291.09879	12.2
297.05255	1.9
303.10013	1.7
313.08301	100.0
314.08813	7.3
317.07645	1.9
319.13000	1.9
331.09348	56.9
332.09738	6.7
335.08810	2.0
345.11008	9.5
347.17151	6.9
375.08340	24.2
376.08496	2.1
389.09811	4.6
407.10938	73.3
407.19476	3.6
408.11273	8.1
421.85788	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46501	1.3
57.03436	1.9
59.01379	35.8
61.98825	3.2
65.99852	1.8
69.37849	6.7
69.38258	2.9
71.01382	12.7
73.02959	2.3
74.87657	1.3
82.02982	10.8
83.01376	2.6
83.05021	1.3
85.02933	7.0
87.00869	1.9
88.15993	1.2
89.02449	10.8
101.02433	8.1
109.02959	1.3
113.02452	4.8
119.03503	7.2
125.02464	2.1
134.27963	1.4
136.04102	1.9
138.05583	1.4
160.07652	2.8
161.04550	3.1
162.04320	1.4
164.03531	5.9
172.07593	1.7
174.05580	3.1
179.05617	1.7
183.06445	3.3
186.05655	1.3
188.07161	4.4
200.07094	2.3
202.08728	4.2
212.39403	1.4
215.04521	2.2
216.05328	4.9
216.06898	2.3
216.10266	3.6
217.02557	5.2
217.06114	9.6
218.03328	1.3
218.06895	2.2
226.05055	2.6
227.05360	5.0
227.12856	1.6
228.06749	2.8
229.05989	8.0
230.03380	3.4
230.06992	5.4
231.07701	14.0
232.08409	3.7
239.22932	1.3
241.06163	3.3
242.03293	3.7
243.04085	21.9
243.07703	4.6
244.04805	14.1
244.09802	12.7
245.09363	8.5
248.09166	1.7
249.05078	2.3
256.04910	5.7
257.05722	15.5
257.08521	1.6
257.09387	1.6
258.06390	6.7
259.07217	41.3
259.10876	8.2
260.07379	2.2
269.09341	4.3
270.07455	1.4
271.07202	20.4
272.07526	2.6
285.08832	5.8
287.10361	76.6
288.08743	7.2
288.11349	1.9
291.09860	10.7
303.09845	2.4
313.08282	100.0
314.08496	10.0
319.12952	2.4
331.09314	58.0
332.09662	5.1
335.08948	1.7
345.10825	7.7
347.17145	5.7
357.07272	1.9
375.08356	23.1
376.08658	2.8
389.09866	3.9
407.10922	74.7
407.19345	5.8
408.11292	8.8
408.19351	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	405.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	50.8
61.98837	100.0
68.33855	22.8
71.51978	35.1
85.85385	24.6
85.85944	26.7
87.51038	27.8
108.71542	26.5
114.80268	21.6
120.38425	27.7
151.49484	30.7
165.24844	23.5
181.24884	22.4
208.04459	24.4
303.04901	26.8
419.30801	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
59.01378	7.6
61.98830	100.0
62.98532	0.3
69.64151	0.2
71.01385	1.0
71.22936	0.4
71.86153	0.3
73.02969	0.5
73.17535	0.2
76.31594	0.3
78.38118	0.2
85.02941	0.4
87.00893	0.5
89.02483	0.6
93.03454	0.5
95.05011	0.3
101.02474	0.9
109.02985	0.3
111.04578	0.3
113.02496	0.6
119.05125	0.3
125.02486	0.5
137.06139	0.9
147.86037	0.3
149.02405	0.4
161.04628	0.5
163.04024	0.3
173.04578	0.8
181.05070	5.0
182.05463	0.3
261.13486	0.3
312.10770	0.4
343.10489	0.8
347.17294	1.4
406.13330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0983
Annotation	Fortuneanoside L
Peak:m/z	Relative Intensity
54.49324	0.2
55.01837	0.4
57.03402	0.5
59.01317	12.4
59.01648	0.9
60.01674	0.3
61.98771	0.9
63.02340	0.9
63.02632	0.2
65.00262	7.2
65.00635	0.5
66.00574	0.2
69.03396	0.3
69.13531	0.6
69.13948	1.5
70.54314	0.2
71.01380	2.7
73.02927	1.0
81.03410	0.4
82.13995	0.2
83.01389	4.7
85.02961	1.6
87.00813	0.6
89.02438	2.0
93.03458	4.0
95.01360	0.2
96.95923	0.3
97.02949	0.2
99.00798	0.6
99.92527	0.4
101.02447	1.5
107.01393	10.2
108.01659	0.2
108.99271	0.2
109.02886	0.3
113.02434	1.7
116.92841	2.1
117.01847	0.7
117.03458	1.8
119.03519	1.3
120.99625	0.3
125.02457	5.5
126.02729	0.3
131.03464	0.4
135.04518	2.1
137.02382	0.9
141.03358	0.3
145.06540	0.5
149.02405	0.4
151.00372	24.1
152.00728	0.5
153.01871	0.3
157.06557	0.4
158.03651	0.5
159.04539	2.8
160.04782	0.3
161.02457	8.0
161.04472	1.2
162.02715	0.6
165.05553	0.3
169.01366	0.3
173.04550	0.3
173.06000	0.7
175.02448	0.3
177.05544	1.1
179.05632	1.0
193.01326	0.7
200.04628	0.2
201.05574	6.1
202.06000	0.3
209.04507	0.3
211.04117	0.2
241.04756	0.3
243.02820	0.3
245.04529	100.0
246.04868	7.0
255.03061	0.8
256.03589	0.3
261.13394	0.4
269.04581	0.5
281.06808	0.4
285.03912	0.3
347.17050	1.8
407.09906	6.9
407.18826	0.8
407.26825	0.2
408.10175	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	55.0
61.98818	44.5
66.39574	13.3
69.51190	100.0
71.43242	14.3
83.06705	15.5
141.06535	15.0
146.27376	13.6
197.86011	13.9
205.88179	14.1
266.09726	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	405.213
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01869	2.6
57.03439	4.1
58.00586	1.7
59.01379	100.0
60.01722	1.0
61.98836	6.7
67.01936	0.9
69.21025	9.4
71.01382	33.9
71.05017	1.1
72.99306	2.6
73.02950	8.5
83.01392	4.5
85.02943	13.9
85.06586	2.8
87.00874	3.3
89.02447	17.2
95.01359	1.9
97.06615	1.0
99.00859	5.6
101.02444	25.6
113.02452	11.5
119.03497	6.5
125.02445	2.1
129.01913	1.0
143.03516	1.5
151.00342	2.0
155.14452	5.1
157.12360	1.3
159.02986	1.9
161.04556	12.0
165.12825	2.9
173.04553	1.3
181.12410	0.9
181.15961	3.9
199.07610	1.5
199.13377	12.8
200.13715	1.2
225.14949	5.8
238.10300	1.1
243.06567	6.4
345.19183	34.5
346.19528	3.2
387.20242	1.4
387.27704	2.3
405.21259	79.9
405.28940	7.5
406.21661	9.3
406.26834	1.2
406.28699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2127
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
53.84489	0.4
55.01881	1.4
57.03449	4.8
57.64825	0.4
58.00595	4.2
59.01380	100.0
60.01711	1.3
61.98832	1.5
69.03445	0.6
71.01382	67.9
72.01723	0.9
72.99303	5.8
73.02950	4.8
74.02472	0.9
75.00858	0.5
83.01395	3.0
85.02950	16.3
87.00871	4.4
88.12432	0.4
89.02445	81.3
90.02756	1.1
90.34158	0.4
95.01388	4.9
96.95987	2.0
97.02966	0.6
99.00888	2.8
99.01431	0.5
99.05621	0.6
101.02441	43.4
102.02803	0.9
103.00350	0.6
106.48286	0.4
106.86135	0.4
106.96376	0.4
108.44608	0.4
109.02980	0.4
109.06595	0.6
111.00856	0.6
113.02451	28.7
114.02779	0.9
115.03990	0.5
116.92853	1.4
119.03501	35.4
120.03838	1.0
122.06114	1.6
125.02457	1.0
128.03514	1.6
129.03821	0.6
131.03485	3.3
143.02591	0.5
143.03461	5.8
143.04594	2.3
144.04956	0.7
149.04553	2.8
153.06628	0.5
159.02924	1.8
161.04556	16.6
162.04865	1.1
167.10695	1.8
175.02449	0.9
179.05621	15.3
183.10172	1.1
218.11288	0.4
225.11046	0.5
241.00204	0.6
243.15887	1.1
245.12817	0.9
245.96544	0.5
254.07681	0.4
255.08041	0.7
272.08997	0.7
273.08856	0.8
289.11710	0.8
306.07480	1.4
307.07932	2.4
308.07141	0.8
405.04630	0.9
405.17227	19.8
405.21143	15.5
406.17508	1.6
406.21533	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
59.01381	100.0
60.01719	1.9
61.98833	1.7
70.41270	1.7
71.01375	5.5
73.02930	4.9
85.02949	2.7
86.43266	0.8
89.02422	5.5
95.01398	1.2
99.04523	1.1
101.02464	3.6
113.02444	3.8
119.03497	3.8
124.01628	1.1
129.01895	1.3
139.11301	3.5
161.04485	1.3
166.02704	1.4
173.04512	1.7
179.05505	1.1
181.05049	2.6
181.12299	1.3
183.10258	85.9
184.10550	5.5
207.01280	1.2
207.10211	1.9
225.11383	4.0
225.14014	1.3
243.12390	8.1
297.47614	1.0
311.10446	2.1
327.08597	1.1
333.30545	0.9
342.11047	1.8
357.13397	6.4
375.14267	1.0
405.20648	14.2
405.25171	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.3
58.00597	1.5
59.01381	83.7
60.01722	0.8
61.98830	4.1
65.52748	0.6
69.45266	3.8
71.01382	28.7
72.99314	1.9
73.02945	2.7
75.00868	0.6
83.01398	2.0
83.05026	1.0
85.02950	10.0
87.00888	2.2
88.71344	0.8
88.98793	1.1
89.02445	28.9
95.01386	1.7
96.95999	3.1
97.02986	0.6
98.20691	1.0
99.00894	1.2
101.02445	20.2
109.06581	0.8
111.00883	0.6
113.02451	10.2
116.92869	1.3
119.03503	12.0
122.06144	1.7
125.02416	1.1
128.03569	0.6
129.02000	0.6
131.03477	1.3
131.63901	0.6
134.07388	0.8
135.00905	1.2
139.07663	0.7
139.99347	0.8
143.03473	1.6
143.04536	0.7
149.04541	1.0
149.09714	6.2
153.01892	0.8
155.01704	1.2
155.99554	0.7
159.02946	0.8
161.04543	6.0
167.10765	10.4
179.05627	4.4
183.10367	0.8
191.01906	0.9
207.13806	0.9
209.02945	1.0
225.11327	1.0
225.14986	1.9
243.15955	2.0
245.13043	1.1
257.60852	0.6
286.73953	0.6
289.11981	0.9
299.46594	0.6
345.15613	1.3
387.20657	0.6
405.17532	100.0
406.17874	9.9
406.22525	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
57.03448	1.6
58.00597	4.0
59.01380	100.0
60.01717	1.4
61.98835	2.1
66.26351	0.4
68.36062	0.4
69.39930	3.3
71.01383	58.7
72.01736	1.2
72.99311	4.2
73.02956	1.8
75.00897	0.6
83.01389	2.1
84.01162	0.4
85.02950	9.7
87.00874	3.2
89.02445	81.9
90.02811	1.3
90.45865	0.5
95.01380	4.3
95.05035	0.4
96.96024	1.3
96.96971	0.5
101.02446	33.1
102.02760	1.1
113.02449	25.5
114.02793	0.8
119.03500	34.6
120.03835	0.9
125.02483	1.2
131.03522	3.7
139.07635	2.5
139.52310	0.4
143.03508	6.5
143.04642	0.7
149.04558	3.0
151.07640	1.3
154.06674	1.3
155.01764	0.5
158.28889	0.4
159.04486	0.6
161.04565	6.0
163.11296	1.0
169.08682	1.1
173.04530	0.7
179.05614	18.3
179.07181	1.0
179.10886	0.5
180.05919	0.6
181.12462	0.4
182.06096	6.9
198.05550	0.4
201.05650	0.5
225.14937	1.0
226.05103	6.6
228.98164	0.4
231.12254	0.5
243.06606	3.6
243.16006	9.2
244.16431	1.0
297.56989	0.4
299.10464	0.6
311.10443	0.8
312.59479	0.5
317.06888	0.7
405.21332	48.2
406.21683	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	405.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17382	6.1
54.04100	6.1
59.01382	36.2
61.98832	29.0
62.01594	6.0
69.32024	49.9
71.01373	7.8
71.83670	7.0
85.02963	9.2
89.02452	10.2
93.03455	12.7
101.02397	6.8
119.05013	18.7
128.62495	6.4
159.04523	7.2
163.04039	7.9
175.07620	11.7
183.04369	6.4
199.07591	7.6
225.05626	8.2
234.11320	14.8
243.06598	100.0
244.06825	8.3
244.94173	7.0
279.94391	7.2
299.05441	12.3
362.15866	30.7
376.28079	6.5
405.16687	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	405.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35402	9.4
52.38520	9.7
57.03399	8.7
59.01377	100.0
61.71356	10.6
61.98835	64.6
62.79671	11.8
65.02750	10.4
69.03465	14.6
69.26189	19.6
69.26595	81.3
71.01385	21.3
72.37342	11.6
85.02956	24.1
87.04522	20.3
97.02948	11.8
101.02432	17.7
106.27924	10.8
107.01396	16.0
137.02473	20.6
137.51962	11.6
151.00366	13.0
151.03902	10.6
197.45720	10.1
199.88695	10.5
242.05750	18.3
405.19025	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	405.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	12.3
59.01382	100.0
61.98817	15.1
66.28711	7.8
69.14870	86.0
71.01376	21.0
73.02956	26.4
74.42477	6.4
77.03972	7.3
79.44253	8.0
85.02975	13.2
86.54176	7.5
89.02451	15.6
101.02469	18.6
113.02444	12.3
115.47857	7.8
125.02440	8.6
131.03479	11.0
150.05608	8.5
165.01846	9.7
169.44217	7.6
173.04570	13.7
181.12274	9.9
183.10255	22.3
202.63977	8.2
211.65141	8.2
225.61209	7.7
237.67621	8.0
243.12296	26.9
287.14865	22.1
291.07623	16.5
296.19455	8.7
300.04230	8.4
311.10361	12.5
329.11624	14.2
405.17395	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	405.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22140	4.5
54.91002	4.9
57.03460	9.1
59.01375	100.0
60.48552	4.8
61.98832	45.7
71.01389	16.0
71.53634	8.7
73.02953	16.1
75.17800	5.2
85.02944	7.4
85.07440	4.7
87.00887	10.9
89.02454	10.8
93.03568	7.6
101.02460	11.7
111.00839	7.6
113.02465	8.5
115.79111	4.9
116.12296	5.5
119.03543	6.8
126.63569	4.9
129.01895	5.1
163.03999	10.1
173.04498	6.7
243.06465	9.5
307.07443	8.1
357.40582	5.2
396.83249	5.9
405.24854	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	405.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94007	1.1
55.36731	1.0
57.03433	3.7
58.95298	1.1
59.01379	100.0
61.98824	6.6
71.01389	10.7
85.02950	21.1
87.00899	1.6
88.98808	7.8
89.02448	11.3
96.96019	2.9
101.02436	3.9
111.00836	1.8
113.02441	2.3
119.03487	3.4
123.04512	2.0
147.02957	1.3
151.03929	1.9
153.01909	2.2
154.55862	1.1
161.04607	2.0
163.07631	1.1
168.04214	2.1
179.05685	2.5
183.06621	14.1
191.00449	1.2
191.01906	5.5
209.03020	5.8
240.31470	1.3
244.76605	1.0
249.73112	1.1
259.65479	1.1
302.72571	1.1
405.17526	13.2
406.18036	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	405.1191
Annotation	Astringin
Peak:m/z	Relative Intensity
59.01385	2.6
61.98821	0.4
65.00312	0.4
69.61374	1.3
71.01376	0.2
75.00856	0.6
80.02676	0.7
81.03455	0.2
91.01896	14.3
92.02208	0.4
93.03460	3.1
95.01384	0.8
106.10297	0.2
107.01406	0.5
107.05025	0.9
108.02173	17.4
109.02991	4.0
119.04990	0.3
121.02970	0.5
123.00892	5.6
124.01665	0.4
125.02467	0.2
135.00888	14.2
136.01198	0.5
137.02444	11.3
138.02783	0.6
151.00375	0.3
152.01152	16.0
153.01596	0.6
163.04077	0.2
169.06709	0.3
197.06058	1.5
199.07661	0.5
213.05501	1.2
215.07130	0.9
225.05586	0.6
241.05261	0.3
242.33714	0.2
243.06604	100.0
244.06947	7.1
271.17160	0.5
289.18091	0.5
375.17438	0.3
384.18182	0.3
405.11893	8.0
405.19260	0.9
406.12100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1191
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01377	3.3
61.98824	1.3
65.00327	0.8
65.03966	2.5
67.01894	1.4
68.63850	0.3
68.99818	0.6
70.66752	0.3
70.67074	0.8
71.01380	1.4
76.09189	0.3
80.02677	0.5
85.02951	0.7
85.91752	0.3
89.02456	0.4
91.01896	39.5
92.02227	1.3
93.03476	0.8
95.01358	0.3
101.02473	0.4
102.87600	0.3
107.01401	0.4
107.05032	2.3
108.02171	3.4
109.02954	30.5
110.03273	0.8
112.15878	0.3
113.02422	0.6
119.05010	0.3
121.02931	2.0
123.00906	2.2
123.04502	0.6
133.02937	1.3
135.00887	100.0
136.01176	3.6
137.02443	4.1
137.10400	0.3
138.03226	1.0
147.04568	0.5
149.02432	1.3
151.03983	0.6
153.01935	84.6
154.02292	3.1
161.02489	0.5
163.04010	0.4
175.04013	3.7
176.04338	0.4
177.01915	2.9
181.06595	0.3
197.06084	1.2
207.10237	2.1
225.05608	1.0
243.06599	11.9
244.06946	0.6
267.06561	0.6
297.06143	16.4
298.06552	1.4
320.72305	0.3
405.11914	13.8
405.21103	1.4
406.12338	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
59.01378	3.5
61.98827	1.4
62.40530	0.3
65.00315	0.7
65.03970	2.9
67.01884	1.2
68.99819	0.5
70.90887	0.8
71.01393	1.3
72.99312	0.3
73.02957	0.6
80.02671	0.3
85.02949	1.0
87.00899	0.5
89.02442	0.7
91.01896	38.7
92.02242	1.6
93.03469	0.7
101.02444	0.6
107.01424	0.4
107.05062	2.0
108.02171	2.9
109.02953	28.9
110.03315	0.7
113.02370	0.4
119.03466	0.4
119.05039	0.4
121.02957	2.1
123.00880	2.5
123.04533	0.4
131.05051	0.3
133.02963	1.1
135.00885	100.0
136.01163	3.5
137.02446	3.8
138.03230	1.1
149.02396	1.5
151.04037	0.3
153.01936	80.4
154.02310	2.6
160.32141	0.3
161.02423	0.7
163.03960	0.5
171.11443	0.3
175.04008	3.4
177.01942	3.2
181.05075	0.3
189.01990	0.3
191.03555	0.3
193.05048	0.4
197.06061	1.0
199.07689	0.3
207.10291	1.8
207.74010	0.3
225.05653	1.0
225.29663	0.3
243.06615	11.9
244.07074	0.8
267.06598	0.6
297.06152	16.0
298.06528	1.0
323.61826	0.3
405.11960	12.5
405.20718	2.2
406.12134	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	404.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.3
61.98832	100.0
69.16300	1.3
69.16705	4.7
82.28731	0.6
85.02950	0.5
109.81222	0.6
145.82378	0.6
153.80524	0.5
346.19965	0.7
365.32593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1189
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
51.02385	0.8
55.01868	1.1
59.01384	2.6
61.98822	0.7
62.22354	0.4
62.60823	0.4
68.99802	0.4
69.03456	51.2
69.51762	2.6
70.03770	0.7
71.01385	1.6
71.39227	0.4
79.01892	40.7
80.02237	0.8
81.03471	2.6
83.01387	0.5
85.02957	1.8
89.02452	0.5
91.01905	0.7
95.01389	10.7
97.02951	30.0
98.03300	0.5
101.02436	1.0
102.02355	0.4
107.01391	78.1
108.02237	7.2
109.02959	5.7
113.02448	0.8
121.02943	4.2
122.03794	0.6
123.00888	15.5
123.04481	0.6
125.02448	52.2
125.17838	0.4
126.02792	1.9
133.02950	2.0
134.03790	0.9
135.00885	20.8
135.04504	1.2
136.01700	5.7
137.02472	3.2
138.81297	0.4
145.02885	0.5
149.02422	2.2
151.00371	80.1
152.01163	8.5
153.01938	26.6
154.02319	0.9
154.63530	0.4
161.02487	0.4
161.04474	0.5
163.04019	7.1
163.05280	0.7
165.01920	0.7
170.46744	0.4
175.04065	0.7
177.01932	9.2
177.03360	0.8
179.03445	0.6
189.01895	0.6
193.05023	0.7
195.03017	0.6
197.06090	1.7
198.06833	0.7
207.02939	1.2
214.84552	0.4
219.02969	0.8
225.05627	1.4
242.05849	100.0
243.06544	36.8
244.04623	0.5
244.06879	2.2
255.06583	0.5
285.07675	4.4
297.06021	8.1
298.06570	0.8
303.74789	0.4
308.13431	0.5
405.11899	59.2
406.12231	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64833	0.4
57.03445	1.2
59.01378	1.7
61.98835	2.3
62.12382	0.4
67.01910	0.5
71.01389	1.3
71.53999	0.8
73.02947	0.8
83.05034	0.7
85.02940	0.8
87.00879	1.0
89.02476	0.3
93.03466	3.9
107.10257	0.4
109.02938	0.8
111.04523	3.4
116.92867	3.4
118.49372	0.4
125.02443	1.8
127.04040	0.5
129.02017	0.5
137.02451	5.3
150.03207	1.4
151.04013	0.8
155.03519	3.4
165.01970	2.2
165.12828	0.9
167.14413	27.4
168.14740	1.4
173.04564	10.3
177.32651	0.4
183.02965	0.4
183.13896	1.2
185.15504	0.7
188.59398	0.4
188.97365	0.4
191.05550	2.0
201.05576	0.6
211.13391	42.3
212.13766	2.3
225.05554	1.9
227.12822	0.7
229.14438	100.0
230.14799	6.8
241.08727	2.8
241.14278	0.6
242.02780	0.8
259.06119	0.6
287.05588	2.6
288.06155	0.7
289.07349	0.5
305.06668	0.6
385.12964	1.1
403.19690	28.2
404.20056	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60945	0.3
59.01393	0.3
61.98830	100.0
69.90627	1.3
70.13068	0.3
83.81491	0.3
85.02956	0.4
135.04552	0.7
315.75476	0.3
317.37091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47045	0.3
53.64752	0.4
55.01875	0.7
57.03451	1.3
58.00587	0.6
59.01382	26.1
69.03468	0.7
70.82815	1.0
71.01380	13.6
71.05023	2.0
72.01723	0.4
72.99294	0.9
73.02935	1.5
80.43706	0.4
83.01392	1.7
85.02942	3.8
86.69151	0.4
89.02447	10.4
92.33299	0.4
95.01392	1.1
99.00883	0.9
101.02442	10.0
102.08320	0.4
111.00932	0.4
113.02466	4.1
119.03522	3.1
123.08162	1.5
127.14119	0.4
128.15988	0.4
163.11255	0.7
177.12799	0.4
179.14400	3.1
214.11574	0.4
223.13376	17.5
224.13748	1.3
241.14511	2.0
265.08798	0.4
271.15573	0.6
277.73627	0.4
385.18756	0.5
403.19702	100.0
404.20044	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	403.1971
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
55.01876	0.8
57.03449	4.0
58.00580	1.3
59.01380	37.6
60.01714	0.7
61.98833	7.4
67.01881	0.7
69.03436	1.8
71.01010	1.1
71.01379	16.9
71.53629	1.4
72.99311	1.5
73.02938	2.5
78.95912	0.7
81.03470	1.4
83.01385	3.2
85.02961	4.5
87.00871	2.0
87.04518	11.5
89.02442	13.7
93.03447	3.0
95.01384	1.8
95.04994	1.0
97.02940	2.9
99.04514	1.0
101.02447	14.2
105.11370	0.7
109.02962	9.0
109.06636	0.7
111.00874	1.5
113.02454	8.1
119.03506	4.9
119.05001	2.1
121.02930	2.0
123.04501	4.9
123.08150	2.1
125.01547	0.7
125.02441	13.5
129.01915	1.1
131.03505	20.1
132.04558	1.8
135.04495	2.1
137.02425	4.9
139.03998	1.4
145.02948	3.1
145.10255	0.7
147.04410	0.7
149.02403	2.4
151.00374	0.7
151.04002	3.5
159.04477	2.6
160.04031	0.9
161.04649	1.4
161.06078	3.0
161.13306	1.0
163.04031	0.9
164.01173	2.0
165.01886	2.6
167.07013	0.7
173.04541	2.7
173.05942	0.8
174.05397	0.7
175.03911	1.0
176.03574	0.9
179.03406	2.3
179.10703	1.7
181.08630	1.4
185.06058	2.4
187.03998	2.0
188.04782	1.5
190.05074	1.5
191.05537	1.8
193.01393	1.3
197.05936	1.0
197.11732	1.1
199.07733	0.9
201.05603	1.1
203.07175	4.7
204.07628	0.8
205.04993	2.9
213.05536	4.3
223.09703	2.7
223.13368	15.2
224.09497	0.7
224.13689	1.5
227.07216	1.0
229.08864	0.7
229.14442	4.5
239.11775	2.3
240.04193	1.1
241.05034	35.7
241.10622	2.6
241.14415	1.2
242.05276	1.9
245.08171	4.2
253.05186	2.2
268.08411	1.2
271.06104	8.0
281.09210	0.9
283.10870	5.8
284.11108	1.1
289.07175	32.3
290.07504	1.9
309.08673	2.1
313.07111	4.6
327.09839	4.2
341.11423	0.7
343.08005	2.3
371.08868	5.7
372.09097	0.8
403.11768	12.0
403.19611	100.0
404.11765	1.2
404.19931	10.8
404.24490	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1607
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
55.36418	0.7
57.03433	1.8
59.01381	58.1
60.01714	1.4
61.98826	11.6
65.59080	0.7
69.03446	1.5
69.72166	0.7
71.01382	16.4
72.99311	1.5
73.02939	4.4
75.00827	0.8
78.95897	2.2
80.44868	0.7
81.03484	0.7
83.01368	1.2
83.05022	1.0
85.02956	8.4
87.00869	3.3
88.98791	1.0
89.02444	9.5
93.03440	1.3
95.01380	2.4
96.96033	1.5
97.02962	0.8
99.00877	1.3
101.02451	11.5
109.06554	0.9
113.02437	6.3
119.03532	3.9
119.05003	1.0
121.06567	1.9
123.04465	1.9
125.02452	1.7
127.05129	0.8
128.03540	1.9
131.03485	2.1
136.05360	0.9
137.02402	1.3
143.03514	1.0
143.04611	1.9
145.06569	2.3
150.06830	2.5
150.71362	0.8
151.07628	0.8
160.00676	1.0
161.04552	3.4
161.09691	3.1
162.06833	3.0
163.07622	7.8
165.09084	0.9
167.03491	0.9
173.04630	1.6
179.05653	1.3
179.07175	0.9
179.10777	1.6
180.07910	6.6
181.08694	16.8
191.05608	0.9
223.09747	8.1
241.14342	1.0
251.09052	1.1
272.08759	1.7
306.07553	2.1
328.35721	0.8
343.13989	1.6
352.45514	0.9
385.15106	1.1
403.16077	100.0
404.16528	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	403.1971
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
51.10786	0.6
55.01878	0.6
56.67343	0.6
57.03448	1.1
57.62699	0.6
58.00584	1.4
58.02014	0.7
59.01378	26.0
60.71502	0.6
66.76308	0.6
66.78046	0.7
69.03459	0.9
69.23594	6.1
71.01017	0.9
71.01385	13.0
71.05009	1.6
72.99317	1.2
73.02937	1.0
83.01402	1.2
85.02955	2.9
89.02440	12.0
95.01379	1.8
95.03365	0.6
101.02444	8.6
113.02453	4.3
119.03477	3.5
123.08147	1.5
128.20708	0.7
167.88852	0.7
177.12878	0.9
179.14360	2.4
223.13367	19.9
224.13799	1.4
231.00847	0.7
241.14436	2.2
265.25864	0.7
278.23926	0.7
381.30820	0.6
385.18585	0.7
403.19708	100.0
404.20010	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	403.1609
Annotation	Glu-Ala-Trp
Peak:m/z	Relative Intensity
54.37025	0.5
54.65849	0.5
55.01875	1.0
56.41489	0.6
56.51281	0.6
57.03440	1.0
59.01380	59.2
60.00042	0.6
61.98830	3.7
62.38428	0.5
65.09558	0.5
69.03449	1.2
69.98272	2.9
71.01381	13.5
72.99308	0.6
73.02943	2.1
81.03484	0.6
83.01390	2.4
85.02952	15.5
87.00881	1.0
89.02438	5.8
92.46947	0.5
95.01389	1.9
95.05056	0.7
97.02951	1.2
99.00867	1.3
101.02451	8.1
101.79362	0.6
109.02967	0.8
111.00879	1.1
113.02463	6.4
119.03501	2.6
123.00894	2.2
125.02451	0.7
138.03185	1.3
139.00362	1.2
149.09697	2.3
150.59486	0.6
153.05583	0.8
161.04546	1.4
161.09709	2.0
163.07657	2.8
165.01920	2.2
173.04674	0.9
179.10834	3.2
180.04240	1.0
181.08669	1.7
181.24918	0.6
193.01341	3.4
208.03766	8.3
223.06105	19.5
223.09769	1.8
224.06367	0.8
325.44464	0.7
403.16089	100.0
404.16409	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1399
Annotation	3,5-Dihydroxy-4'-methoxystilbene 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01383	1.2
61.98833	1.6
63.05070	0.2
69.41099	0.6
69.41528	0.7
71.01372	0.7
73.02918	0.2
83.01371	0.3
85.02953	0.5
85.71000	0.2
87.00849	0.2
87.64712	0.2
88.58132	0.2
98.19932	0.3
101.02432	0.2
109.02905	0.2
113.02454	0.6
116.92844	0.2
122.03698	0.2
125.02417	0.7
131.03365	0.2
131.46605	0.2
137.02428	2.1
150.03201	0.6
151.04018	0.2
153.11807	0.2
156.24519	0.2
159.04529	0.2
161.04535	0.2
165.01888	1.1
165.12901	0.2
167.22591	0.2
169.06468	0.2
173.04593	0.2
180.05878	0.2
181.06610	1.6
183.04492	0.4
183.13872	2.0
183.98248	0.2
184.05087	0.2
197.06097	1.3
198.06819	1.0
199.07181	0.3
199.97852	0.2
201.05528	0.2
209.06110	0.3
225.05566	40.4
226.06224	8.1
227.06740	0.3
227.12830	0.9
239.07234	0.3
241.08696	100.0
242.09018	8.0
259.05930	0.3
287.05527	1.0
288.06339	0.5
385.13101	0.7
403.14014	1.1
403.19678	0.9
406.58878	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	19.6
59.01381	71.4
61.98832	45.6
69.03455	12.8
71.01377	27.2
72.99314	9.4
73.02952	7.7
82.22853	4.4
83.01383	9.1
85.02975	23.4
87.00874	7.4
89.02435	12.1
93.03483	5.6
99.00893	6.4
101.02427	14.9
109.02953	11.4
113.02452	44.3
119.05071	4.8
121.02952	9.7
125.02453	34.2
129.01959	17.3
131.03516	8.2
137.02454	60.4
150.03224	21.9
161.02463	5.2
161.04538	14.6
162.10335	4.2
163.04010	7.9
163.11339	7.9
165.01949	21.5
165.12845	42.1
167.03488	7.9
173.04614	4.2
173.06128	5.5
175.02492	100.0
175.03989	6.7
177.01889	6.2
179.03496	4.9
183.13896	54.8
200.35590	3.9
201.05573	6.9
221.04503	4.4
227.12923	37.3
235.08176	15.2
259.06088	8.3
287.05661	34.1
288.06201	10.5
305.06711	22.3
306.07370	10.6
313.12234	4.9
326.78195	5.4
359.03931	4.2
385.13068	9.8
403.14777	23.0
403.18878	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	403.1398
Annotation	Nitidanin
Peak:m/z	Relative Intensity
50.45519	0.9
57.03448	6.0
59.01377	30.2
61.98830	26.8
67.01882	1.7
68.93713	0.8
69.03439	1.7
69.34295	1.9
69.34715	5.9
71.01383	4.3
73.02932	3.1
73.89594	0.8
81.03455	3.5
83.01380	3.2
85.02946	3.1
87.00875	1.3
89.02454	3.8
93.03447	7.2
95.01372	2.2
95.05027	2.4
97.02935	4.3
101.02445	1.2
109.02934	14.4
111.04520	5.1
113.02452	1.6
119.03432	1.2
121.02950	3.4
122.06108	1.1
123.00905	6.0
123.04485	2.4
124.01645	3.6
125.02447	80.3
126.02754	2.0
129.01956	1.3
132.04532	1.9
135.04515	1.6
135.08174	1.5
137.02441	28.2
138.03088	2.9
139.04007	20.7
147.04533	1.2
147.08189	1.3
149.02380	1.2
149.04558	0.9
149.06096	1.6
151.03973	3.3
155.03493	1.2
158.02368	1.3
159.04489	2.1
160.04007	1.3
161.02425	4.0
161.04568	0.9
162.03264	1.5
163.04086	0.9
164.01109	6.9
165.01926	23.7
166.02460	1.3
167.03491	22.0
173.04532	5.5
173.05954	2.0
175.03943	3.7
175.07588	1.1
176.04709	1.2
177.01918	3.4
177.05577	5.7
178.02682	1.5
179.03497	17.5
179.07057	6.6
180.03889	1.1
181.04988	0.9
189.05519	1.2
190.04953	1.0
191.05611	1.6
191.07120	5.2
201.05603	1.7
203.03461	3.5
204.04193	3.2
219.06587	20.9
220.07002	1.2
221.04556	12.7
233.08145	2.0
237.07535	1.1
239.11873	2.5
243.06606	1.7
243.92245	1.0
247.02422	1.2
253.06270	1.4
261.07608	4.8
263.05832	1.2
263.08902	1.3
277.10797	1.2
283.10806	5.5
305.06650	100.0
306.07004	8.9
315.12326	1.3
327.09814	6.4
359.11383	16.6
360.11533	2.2
371.08917	4.8
385.12869	2.8
386.13303	1.0
403.14200	40.2
403.19586	5.2
404.14554	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	403.1032
Annotation	Chalconaringenin 2'-xyloside
Peak:m/z	Relative Intensity
57.03454	5.2
57.34280	1.1
59.01377	5.8
69.29246	7.7
71.01378	1.3
81.03458	3.4
83.01384	4.1
85.02943	1.1
87.04514	28.0
93.03461	2.8
95.05027	3.2
96.36707	1.0
97.02951	7.0
109.02958	23.4
113.02431	3.3
121.02945	3.2
122.03714	2.0
123.04525	16.1
124.04862	1.1
125.02454	34.6
126.02757	1.1
131.03500	59.5
132.04594	1.6
133.06557	0.9
135.04506	2.0
137.02440	15.0
139.04018	4.7
145.02924	8.2
146.03720	1.3
149.02425	4.4
150.03174	1.1
151.04013	10.9
159.04524	5.4
160.04050	1.1
160.05228	2.3
161.02481	2.0
161.06038	8.6
162.03223	1.6
164.01149	2.7
165.01974	4.8
167.03497	1.5
173.04562	0.9
175.03979	2.8
175.07718	1.5
178.16002	1.0
179.03534	5.9
185.06091	4.0
187.03992	6.6
188.04726	3.3
190.05089	2.1
197.11736	2.0
201.05566	2.0
202.06299	1.6
203.07144	14.3
205.05028	7.1
221.08214	3.5
224.09517	1.1
227.07156	4.2
239.11804	2.1
241.10851	5.4
245.08168	18.6
246.08672	1.3
247.05937	1.6
253.04874	6.0
255.11357	1.4
262.78543	1.0
271.06100	24.5
272.06158	1.0
283.10861	6.7
289.07175	100.0
290.07578	9.8
309.08908	1.9
327.09866	5.5
371.08774	6.9
403.11319	14.1
403.23819	1.2
404.11523	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	402.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03529	1.0
51.79786	1.1
54.18795	1.1
61.98830	100.0
63.17236	1.0
68.24212	1.1
71.06070	1.7
155.76976	1.1
162.25465	1.0
163.11287	4.4
181.41856	1.1
245.80399	1.1
279.60596	1.1
316.58258	1.2
339.23050	5.6
344.74597	1.1
402.31619	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	403.0331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
57.40540	0.3
59.01380	7.3
61.98832	9.1
70.01283	0.4
71.01386	2.2
71.51785	0.5
72.99310	0.9
73.02926	0.7
78.95906	9.1
79.95753	2.2
83.01370	0.8
85.02949	3.7
87.00891	0.6
89.02453	1.2
93.03468	0.9
95.01387	0.5
96.96014	100.0
96.96926	14.3
97.02953	0.5
98.77670	0.4
99.04519	8.3
101.02422	1.1
104.07621	0.3
108.94152	0.4
109.02943	1.1
111.04521	0.5
113.02452	0.7
118.52486	0.4
123.00906	0.8
123.04504	0.4
125.02454	5.6
129.01965	0.5
135.04527	0.4
137.02437	3.2
138.03123	0.4
139.04013	2.1
149.02480	0.7
149.09734	0.5
153.01988	0.4
153.49846	0.4
153.77419	0.4
161.04532	0.4
161.09772	0.6
163.03987	0.5
164.01205	0.5
165.01953	1.4
167.03485	1.8
173.04555	1.6
179.03520	1.5
179.10820	0.7
191.02025	1.6
191.05618	1.0
193.01491	0.5
209.02997	0.6
219.06631	1.2
221.04590	0.7
223.06119	0.8
229.10747	2.3
261.07599	0.5
299.99344	0.4
305.06665	10.7
306.07025	1.0
375.93591	0.4
403.16074	10.6
404.16626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93505	1.1
57.03446	28.8
58.00588	3.6
59.01378	90.2
60.94985	1.4
61.98829	14.7
68.43723	1.2
69.03455	3.5
69.72499	7.4
71.01384	55.8
72.99310	2.7
73.02948	13.5
81.03468	3.1
83.01385	12.5
83.05039	2.5
85.02953	19.6
87.00883	4.7
89.02442	33.3
93.03457	3.9
94.03805	2.1
95.01372	3.1
95.05035	1.7
97.02946	3.4
98.19980	1.8
99.00871	3.3
101.02441	27.2
103.00401	1.2
109.02947	1.9
111.04504	2.6
113.02449	22.2
114.02715	1.6
115.92108	1.3
119.03519	14.0
119.05031	3.7
120.05350	1.5
121.02962	1.5
121.06584	2.3
123.00884	1.9
123.04488	2.8
123.08201	8.4
124.01660	4.3
125.02453	100.0
126.02798	3.5
131.03461	1.7
135.04512	10.4
135.08142	2.9
137.02446	3.8
137.12724	1.2
139.04042	1.3
139.07680	2.1
143.03506	4.2
146.03780	2.5
147.08199	1.7
148.05241	1.7
149.02429	2.5
151.07654	31.6
152.07967	1.2
152.40535	1.2
159.08208	1.9
160.08873	2.8
161.04561	17.6
161.09712	11.7
163.03986	1.8
163.07655	19.8
164.04578	2.5
165.09206	10.5
168.07898	1.8
173.04558	16.1
173.05925	2.6
173.09705	2.1
174.04843	9.6
175.11301	1.5
177.09222	8.3
179.05568	6.1
179.07155	4.4
179.10767	19.4
183.10251	2.3
187.07683	1.8
188.08403	12.9
191.05550	3.5
197.08081	1.3
203.10773	82.9
204.11061	5.2
221.11821	96.5
222.12213	6.9
227.09091	1.8
247.58748	1.4
287.07648	13.0
338.09656	3.5
341.10953	5.0
357.98334	1.3
401.10635	2.1
401.18503	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	401.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
59.01368	3.3
60.99311	4.5
65.03980	0.3
67.01892	9.9
69.03465	3.0
69.28020	3.0
71.01380	4.5
73.02940	0.6
81.03448	1.7
83.05029	2.1
85.02952	8.3
87.00336	0.7
87.00877	15.1
93.03458	71.8
94.03806	2.5
97.02982	0.5
97.42547	0.4
99.00886	1.3
99.04554	1.9
99.05112	0.4
101.02412	0.6
109.02969	1.2
111.00914	0.4
111.04518	11.4
112.04836	0.4
113.02444	1.3
115.04023	0.4
115.22390	0.4
117.04168	0.3
127.04002	2.1
129.01952	1.6
130.31819	0.3
137.02414	1.7
141.75627	0.4
148.64093	0.4
153.01968	0.4
155.03488	2.7
165.12846	2.7
171.03021	0.4
173.04547	23.2
174.04889	0.9
183.13892	14.6
184.14322	1.2
191.05605	100.0
192.05986	3.6
227.12860	5.4
255.07710	0.4
331.27740	0.4
348.65363	0.4
357.18814	0.4
383.17056	3.0
400.25391	0.4
401.18134	86.4
402.18484	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	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69292	0.3
55.15426	0.3
57.03439	1.8
59.01389	2.9
61.98845	0.5
69.03471	0.5
71.01384	1.8
73.02944	0.6
81.03460	0.8
83.05022	1.9
85.02961	1.3
87.00887	0.4
89.02456	0.7
93.03455	6.0
101.02463	0.4
109.02934	0.6
111.04512	5.8
111.08174	1.8
113.02478	0.5
121.02967	0.5
125.02473	2.0
127.03982	0.8
128.10480	0.4
129.01965	0.7
137.02457	3.6
138.03241	3.0
151.04115	0.4
155.03508	5.7
156.03671	0.4
164.01160	0.5
164.37230	0.3
165.01927	4.4
165.12843	28.0
166.02719	4.2
166.13205	1.4
167.03201	0.3
170.02242	0.8
173.04546	18.4
174.04842	0.6
177.01923	1.1
179.03491	0.5
180.06754	0.4
181.12312	0.5
183.13893	100.0
184.14226	6.8
187.07689	0.4
191.05606	4.1
191.10690	0.5
209.11804	2.2
217.08817	0.5
218.96576	0.4
224.04776	0.3
227.12878	83.1
228.13181	5.8
269.13989	1.1
285.04007	0.4
303.05127	1.2
304.05746	0.9
319.58749	0.3
341.10715	0.5
383.11017	0.5
401.18127	37.6
402.18356	4.5
402.22357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86244	0.7
53.19109	0.7
55.01887	2.5
57.03450	2.0
58.00589	0.8
59.01377	100.0
60.01712	1.3
61.98824	1.7
67.88957	0.7
69.53959	4.0
71.01380	41.4
72.99300	1.3
73.02948	9.4
75.00894	0.7
83.01416	4.1
85.02950	17.2
87.00894	1.8
89.02448	8.7
95.01411	2.8
97.02940	1.3
97.77057	0.8
99.00892	4.6
101.02438	24.8
101.03107	1.2
101.65154	0.7
102.02765	0.7
111.00898	1.1
113.02448	18.3
119.03472	3.4
121.02979	3.0
125.02488	1.9
143.03529	2.2
154.97612	0.8
159.02982	4.9
161.04547	33.4
162.04901	1.8
179.10771	61.1
180.11105	4.7
183.13934	0.9
193.12280	1.0
205.03625	1.2
227.13060	1.2
280.09073	0.7
287.99371	0.7
341.11057	2.2
401.25443	15.6
401.30615	0.9
402.25803	1.4
421.69980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1818
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01888	3.0
56.71423	0.9
57.03455	12.8
58.00589	2.5
59.01381	63.5
61.98840	4.6
65.72252	0.9
69.03459	2.0
71.01382	51.4
71.53413	2.0
72.99326	3.0
73.02952	7.7
83.01387	6.6
84.02290	1.1
85.02946	21.4
87.00890	2.4
89.02443	31.1
93.03491	1.7
95.01402	3.5
97.02979	3.5
97.06645	1.5
99.00900	3.2
101.02444	29.7
101.03117	2.0
109.02984	1.8
111.00912	1.9
113.02453	22.1
118.91548	1.0
119.03491	15.0
120.93431	1.4
121.02927	2.3
123.08121	1.3
125.02447	14.9
125.29261	1.0
129.01930	1.2
129.07086	1.4
135.04523	1.2
135.11790	1.5
137.02443	7.6
138.03238	2.3
142.17300	1.3
143.03484	2.5
147.08202	1.9
151.04013	1.5
153.01933	1.5
159.03001	1.6
159.04454	1.3
159.11763	9.3
161.02466	1.2
161.04558	6.1
162.03227	2.4
163.04042	1.3
164.01199	1.9
165.01938	7.8
166.02745	4.4
173.04556	5.2
174.04915	2.3
175.11363	1.8
177.01855	1.6
177.12869	5.3
179.05630	4.3
191.05641	2.4
195.13980	1.5
217.08734	1.2
221.11855	2.9
251.11290	6.0
269.10315	2.8
273.17004	1.0
287.07898	1.7
303.05179	4.2
304.05844	1.2
338.09546	1.8
341.10938	5.7
341.14597	1.5
383.11356	1.6
401.14313	7.6
401.18317	100.0
402.13702	1.6
402.18604	14.4
403.23911	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	401.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35830	1.0
55.01862	2.6
57.03436	3.4
58.00588	1.8
59.01379	26.0
59.30573	0.9
70.06283	2.0
70.06680	1.9
71.01385	16.6
72.99312	1.3
73.02941	5.3
83.01381	3.8
85.02949	8.3
87.00859	1.9
89.02440	8.8
97.64901	0.9
99.00879	2.8
101.02442	14.8
107.05012	1.1
113.02452	7.3
119.03489	2.9
123.08204	2.6
134.59212	1.0
138.03236	1.0
161.04623	2.0
161.09795	1.0
166.02620	1.4
177.12863	6.6
195.13843	2.0
221.11829	3.5
226.98427	1.1
227.85916	1.0
297.72037	1.2
307.53354	0.9
313.12735	1.3
331.39487	1.1
401.18158	100.0
402.18484	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	401.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.7
57.03453	3.8
58.00599	0.9
59.01382	30.1
61.98811	0.6
65.03980	0.5
69.03442	0.7
69.24251	2.6
69.24680	2.7
71.01383	22.0
72.99311	1.2
73.02950	6.0
77.80312	0.6
83.01395	4.8
85.02953	10.4
87.00878	1.2
89.02445	10.0
93.03460	1.0
95.01379	2.1
99.00885	3.4
101.02442	16.1
107.05032	3.8
109.02944	0.7
113.02440	8.1
119.03513	3.1
121.02986	1.0
123.08157	3.5
125.02449	2.5
130.81798	0.6
131.03479	0.8
135.08157	0.6
137.02440	4.6
138.03200	2.5
161.04504	3.2
165.01901	3.6
166.02702	7.1
167.03421	1.1
177.01831	0.8
177.12849	5.9
179.03519	0.9
195.13881	2.3
221.11848	3.2
285.04074	0.8
303.05161	4.6
304.05826	1.6
338.82666	0.7
383.11401	0.8
401.18164	100.0
402.18594	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	401.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60432	1.3
53.31001	1.2
55.01886	2.0
55.28020	1.2
57.03439	5.5
59.01381	39.8
59.96510	1.2
69.24986	7.0
69.25399	3.3
71.01380	24.3
72.99301	1.3
73.02948	5.8
83.01382	4.9
85.02950	11.6
87.00872	2.7
87.08096	1.2
89.02452	12.9
93.03481	2.8
95.01431	2.1
95.72707	1.3
99.00867	1.8
101.02441	18.2
103.00368	5.7
109.02926	1.6
111.00876	4.0
111.08772	1.2
113.02443	8.5
119.03507	3.5
123.08144	1.4
125.02442	3.3
137.02409	6.0
138.03194	3.9
149.04512	1.5
161.04567	4.4
161.09763	1.8
164.01140	1.4
164.04765	2.2
165.01930	5.1
166.02737	8.7
169.76857	1.3
173.04582	4.9
177.12875	6.3
179.05661	1.3
179.07146	3.7
195.13841	2.0
205.04871	1.4
215.08932	1.5
217.33385	1.3
221.11826	3.6
227.12825	3.0
269.10315	1.8
303.05060	6.3
304.05777	1.6
313.12772	3.8
401.18185	100.0
402.18512	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	401.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80402	2.0
56.35350	1.9
57.03447	67.4
59.01381	14.6
67.01917	5.0
73.02939	3.4
79.01851	2.0
83.01395	6.8
84.90922	2.0
85.02972	2.3
87.00884	6.5
93.03455	2.4
99.00867	5.7
101.02396	3.1
103.00372	42.5
111.00880	90.9
111.08169	4.2
129.01947	24.9
154.99847	3.6
165.12849	53.4
167.14442	4.3
172.34479	2.2
173.00990	2.9
183.13895	100.0
184.14185	4.6
195.13892	17.9
196.05367	2.5
197.15436	28.5
207.13901	14.9
209.11835	26.5
225.14970	26.5
227.12872	82.1
228.13205	3.8
239.07141	12.9
239.10695	2.5
239.12703	10.2
241.14511	4.7
247.25082	2.6
251.12862	27.6
269.11185	4.5
269.13928	57.7
270.14261	5.0
313.12943	39.4
314.13196	6.1
401.07156	2.5
401.14261	6.9
401.18713	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	401.1452
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
52.65034	1.5
52.65298	1.5
55.01873	4.6
57.03443	3.4
58.72319	1.3
59.01378	33.9
69.29138	3.5
69.29543	7.9
71.01380	65.6
72.99280	1.9
73.02946	27.7
83.01388	10.0
85.02948	32.6
87.00857	2.6
89.02435	11.9
95.01389	5.3
97.02923	2.3
98.19923	2.5
99.00868	13.7
101.02441	49.3
102.02779	1.6
106.16016	1.6
106.81544	1.2
112.01673	3.8
113.02447	24.9
125.02390	2.9
126.14792	1.4
133.31747	1.6
137.02457	2.1
143.03438	1.8
159.03018	4.4
161.04558	36.1
269.10300	62.8
270.10574	4.8
401.14520	100.0
402.14911	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	401.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78434	1.6
58.00605	2.8
59.01376	58.8
68.10719	1.9
69.25713	16.7
69.26067	2.9
71.01382	34.1
76.55808	1.9
78.64240	1.8
85.02943	6.2
87.00874	4.2
89.02443	52.8
101.02444	16.6
109.58868	1.7
113.02466	12.5
119.03492	17.7
143.03477	4.4
161.04520	4.9
179.05606	26.1
179.07082	3.4
191.05579	4.8
192.66707	1.8
199.49867	1.6
237.18346	1.6
244.47141	1.9
265.07422	1.8
276.40216	1.8
292.21088	1.9
295.07928	2.7
341.10858	100.0
342.11169	7.2
401.10880	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	401.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	4.4
57.03445	13.2
59.01380	70.3
60.58184	3.0
61.98833	11.8
62.12717	2.7
63.16336	3.0
67.01888	2.7
69.03446	8.4
69.15562	33.0
71.01379	59.3
72.99288	3.0
73.02943	21.8
81.03445	9.0
83.01377	18.7
83.05013	3.5
85.02957	28.0
87.00877	3.5
89.02444	35.8
89.48853	3.1
93.03459	11.4
95.01406	6.7
95.05035	5.4
97.02940	9.4
97.06573	4.4
99.00870	10.6
99.04546	3.6
101.02452	41.2
103.00365	5.7
107.05054	4.7
109.02950	15.3
111.00869	4.5
113.02460	37.1
116.97707	3.2
119.03500	5.0
119.05059	5.0
121.02937	9.3
121.07944	2.6
123.00928	4.1
123.04528	8.5
124.01604	4.5
125.02455	57.5
126.26778	2.9
128.48183	2.9
131.03531	2.9
132.32509	3.0
135.04468	5.2
137.02441	90.4
138.03253	46.4
143.03485	3.3
145.02960	4.1
146.03749	7.7
149.02380	6.1
151.04013	7.5
159.02972	7.6
159.04404	4.2
160.17503	3.3
161.02460	7.3
161.04543	22.7
161.05980	5.5
162.03221	9.3
164.01152	10.6
165.01924	100.0
165.05608	3.4
166.02704	90.3
167.03485	28.3
170.02187	5.2
173.04552	11.9
173.05984	3.5
174.03226	4.3
174.04732	3.5
175.02501	4.3
175.03914	7.7
175.11171	5.5
177.01936	8.7
177.05569	9.1
177.12851	4.6
179.03474	7.1
179.05551	3.6
183.10352	4.3
185.00960	4.1
187.03984	5.0
189.05592	5.8
191.03528	3.3
191.05536	6.0
191.07123	4.0
199.04016	4.2
203.27303	2.9
205.04976	6.7
213.37476	2.9
217.05005	8.6
217.08676	14.1
221.08145	3.5
221.11841	4.0
227.12938	7.4
231.02888	4.7
233.04611	4.1
233.08081	9.2
235.06085	4.0
235.09663	14.2
239.05411	14.4
239.09293	6.5
241.04933	9.5
243.02937	3.1
245.08250	6.9
251.11327	41.5
257.04596	3.5
257.08502	3.9
259.06061	8.5
269.10266	26.1
275.05627	7.2
281.10349	24.1
285.04089	18.9
286.04559	5.2
303.05096	66.9
304.05768	22.6
307.18997	3.2
341.07278	3.0
341.10913	19.3
356.62854	3.8
365.14526	4.9
383.11340	21.1
401.14124	40.0
401.19324	19.5
402.18491	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	401.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
57.03433	1.8
59.01379	12.2
69.45990	0.5
69.69162	2.2
69.69581	0.8
71.01009	0.8
71.01381	10.7
72.99310	1.2
73.02948	1.5
75.00869	2.2
83.01385	1.4
85.02950	11.0
87.00867	2.3
89.02444	3.1
93.03462	2.0
95.01383	3.8
98.19898	0.8
99.00882	3.5
101.02438	3.6
103.00372	1.7
107.05034	0.6
109.02948	1.4
111.00874	0.7
113.02451	16.1
113.35491	0.5
115.00366	1.4
117.01946	1.2
121.02950	1.0
124.01648	0.8
125.02448	6.7
129.01929	0.8
137.02449	10.8
138.03235	9.6
149.02365	0.6
149.04564	0.7
157.06598	0.9
161.04541	1.8
164.01178	1.2
165.01930	15.0
166.02701	4.5
170.02208	1.6
173.04562	1.0
175.02473	5.4
177.01941	4.5
179.03484	0.8
180.05803	5.0
181.06583	10.3
182.06927	0.7
183.04483	6.8
217.05020	0.8
225.05557	100.0
226.05928	7.5
239.07236	0.8
259.06116	1.0
260.06714	0.7
265.83829	0.5
267.06528	0.7
268.03751	1.5
269.10349	2.7
269.13861	2.3
285.04245	0.9
289.07281	0.7
303.05139	2.5
304.05847	1.9
341.11035	2.5
401.08722	16.5
401.14026	3.4
402.09058	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	401.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40880	1.4
59.01375	16.1
60.31073	1.5
61.98836	18.8
68.99808	2.3
71.01371	11.9
72.99320	1.6
73.02935	3.0
75.00854	1.7
83.01389	1.4
85.02946	4.6
87.00871	46.7
87.01389	3.0
88.98736	1.2
89.02439	10.4
96.16547	1.3
101.02431	7.0
113.02453	5.9
119.03490	4.8
121.02958	2.5
123.00883	3.8
131.03496	3.3
135.04497	1.8
138.03217	1.7
149.02444	2.1
151.00346	2.2
151.04047	2.4
153.05550	1.5
161.02466	7.4
163.04007	17.2
164.04816	10.7
165.05525	3.7
166.02719	5.2
173.02454	2.0
175.03952	1.6
176.04781	9.0
177.01846	3.3
178.06401	13.8
179.03558	8.1
179.05608	3.2
179.07120	25.3
180.07544	1.8
181.05060	8.1
187.03984	1.6
188.04779	1.6
190.02721	1.6
191.03529	16.0
191.07173	4.8
192.04272	1.8
193.05031	6.3
193.08727	2.8
194.05875	6.3
203.03371	6.7
205.05077	5.8
206.05791	5.5
207.06691	2.8
208.07297	1.7
209.08162	7.4
218.05907	3.8
219.02959	4.6
219.06433	1.6
221.04628	4.0
221.08115	8.0
222.05220	1.9
234.05338	2.0
235.06108	3.0
236.06918	2.6
237.07668	3.1
238.04826	1.8
247.02443	5.9
247.06168	3.2
249.07587	5.5
250.04634	1.4
251.09190	3.0
262.04828	9.9
265.07169	49.1
266.07458	3.0
277.07117	22.6
278.07425	1.7
295.04953	2.8
295.08218	54.3
296.08563	6.2
310.82086	1.5
325.09146	2.2
337.09500	1.6
341.10861	13.9
346.25903	1.7
355.10397	20.9
356.10794	1.9
383.09814	8.2
401.10852	100.0
402.11353	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	399.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28805	1.4
57.03437	3.4
58.00587	4.3
59.01380	100.0
61.98823	2.5
70.38351	5.0
71.01381	70.8
72.99295	5.4
73.02948	2.2
83.01382	3.9
85.02950	16.8
87.00869	3.9
89.02445	92.5
90.02762	1.9
90.38989	1.1
95.01395	3.7
97.02980	2.0
101.02444	37.2
107.08681	2.1
108.33018	1.2
113.02451	24.7
119.03503	34.3
121.10237	6.2
122.14487	1.4
123.16396	1.4
125.02461	2.2
131.03571	2.9
143.03496	5.8
149.04533	3.8
151.03952	3.0
152.01109	1.6
161.04527	7.1
173.13310	1.4
175.14929	42.7
176.15216	3.1
178.99814	1.7
179.05603	8.3
219.13899	28.7
220.14240	2.2
233.04568	1.7
399.10788	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	400.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20607	0.9
56.14968	1.1
58.04132	1.0
59.01383	2.1
61.98824	10.1
67.01897	1.8
69.03488	1.0
71.01364	2.2
71.26405	1.2
74.62548	0.8
85.02941	1.5
85.57133	0.8
93.03453	19.0
94.03830	1.2
111.04522	2.7
119.05038	17.2
137.02463	3.0
155.03497	3.1
163.03993	12.2
169.20461	1.0
173.04539	100.0
174.04846	3.4
191.05605	12.7
241.95839	0.9
326.69537	1.1
326.95947	1.0
337.09299	29.2
338.09793	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	400.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.4
59.01382	24.7
61.98829	8.5
63.26590	0.7
67.01865	1.1
69.03445	1.7
69.17852	7.5
69.18256	1.6
71.01378	10.8
72.01696	1.2
72.99310	1.2
73.02946	2.9
80.69280	0.9
81.03487	0.9
83.01368	1.7
85.02956	11.0
87.00867	2.7
88.98782	1.3
89.02444	7.4
93.03442	5.6
95.01387	0.9
97.02924	1.3
98.19922	1.3
99.00872	1.7
101.02445	5.8
109.02966	4.3
111.00861	1.9
111.04550	1.5
113.02460	5.8
119.03507	2.9
119.05032	1.7
121.02989	1.2
123.04499	1.2
124.01704	1.0
125.02455	9.0
129.01888	1.2
137.02440	13.6
138.03252	8.2
143.03514	0.9
145.02992	1.5
151.03935	1.2
160.08882	0.8
161.02388	1.5
161.04579	4.7
161.09299	1.0
162.04813	0.9
163.04033	3.7
164.01222	1.1
165.01920	11.4
166.02715	17.4
167.03586	1.5
169.01370	2.3
170.02174	1.3
173.04556	6.6
175.11261	1.5
176.11617	1.8
177.01958	1.9
179.03500	5.7
179.05649	2.1
183.10332	1.3
191.05608	100.0
192.05966	3.7
199.04021	1.0
202.46490	0.8
205.04964	0.9
207.06555	1.2
209.08052	0.9
217.04968	1.1
217.08601	1.2
219.10193	2.2
220.10570	3.7
226.11713	1.7
235.09785	1.2
251.11057	1.0
259.06244	1.9
269.10318	6.3
275.05505	2.1
285.04086	3.9
286.04529	1.9
303.05078	14.3
304.05795	4.2
306.61877	0.9
312.11819	1.2
322.86292	0.9
337.09232	17.8
338.09528	1.5
341.10727	2.8
383.11328	4.0
400.16846	2.6
401.13425	5.2
401.18295	2.7
405.10376	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.02420	1.1
57.03434	3.3
58.67210	1.1
59.01379	100.0
60.25274	1.3
67.81075	1.1
69.45084	3.2
69.45496	4.8
71.01381	15.7
72.31338	1.2
73.02946	4.8
83.01385	1.6
83.68839	1.2
85.02952	6.3
87.00880	2.6
89.02436	13.4
95.01385	1.5
98.51669	1.1
99.00869	2.0
101.02439	11.4
113.02446	6.0
125.02410	2.4
131.03484	4.4
149.04552	62.4
150.10709	1.1
161.04561	8.9
161.13324	2.3
191.05655	1.5
223.13388	72.9
224.13776	4.3
267.12360	29.4
268.12802	2.1
378.67456	1.2
399.11456	1.1
399.16531	32.2
399.23996	3.5
400.16818	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	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33627	1.9
57.03442	12.4
57.23470	1.8
59.01379	83.2
60.01715	2.4
61.98831	5.5
67.01897	3.8
69.03443	2.2
71.01382	29.7
71.53290	2.6
72.99300	2.0
73.02946	5.6
81.03464	4.9
82.31404	2.2
83.01395	5.5
83.05019	5.8
85.02949	14.6
87.00870	6.6
89.02451	23.0
91.05499	2.2
93.03453	25.6
94.03831	2.1
94.60741	2.2
95.01407	2.6
96.96008	3.3
97.02943	2.4
99.00898	3.3
101.02457	14.7
103.00381	17.2
109.06570	2.7
111.00896	17.1
111.04512	3.7
113.02429	11.2
119.03481	7.2
119.05017	8.5
123.04520	12.6
125.00646	2.3
125.02451	7.3
129.01915	6.5
133.02937	2.1
133.10225	3.4
137.02446	4.0
138.56110	2.1
143.45799	1.8
145.06569	7.9
151.00377	6.4
155.03523	2.1
157.10141	2.3
159.08153	6.1
160.08931	47.4
161.04547	2.6
161.09273	3.1
163.04041	4.9
167.03467	9.7
173.01010	2.3
173.04553	33.6
173.09702	8.5
175.11276	80.3
176.11598	5.2
191.05600	28.7
193.08665	17.2
197.04497	2.1
219.10252	100.0
220.10619	8.2
222.91138	2.3
225.11346	24.3
251.11371	3.3
279.08643	2.6
283.11700	2.7
285.04056	15.3
311.11340	19.4
337.09219	3.0
355.12985	3.3
380.82849	2.2
399.11774	13.1
399.16919	47.3
400.16986	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	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.8
59.01381	100.0
60.01699	1.6
61.98829	1.7
69.03441	1.1
69.36224	3.8
69.36649	2.7
71.01379	3.1
71.05006	1.7
72.43079	0.7
73.02933	2.3
73.55598	1.0
77.52979	0.8
82.82239	0.8
83.05035	1.0
85.02940	2.5
87.00381	0.8
87.00853	3.8
89.01944	1.1
89.02451	12.6
93.03442	1.8
95.86553	0.8
99.00868	1.4
101.02428	0.9
103.04032	0.9
111.97141	1.0
113.02444	1.1
123.04524	5.8
123.08158	1.1
125.02436	2.1
131.03494	3.3
135.04472	1.8
137.02448	1.2
137.06046	1.4
149.04556	50.5
150.04895	2.0
161.09746	1.9
161.13271	2.2
163.04048	0.9
163.11272	3.4
165.09125	2.1
172.37454	0.7
173.04495	3.3
181.12323	1.2
187.04002	1.0
189.09142	1.3
191.05586	3.6
202.48090	0.7
205.12320	1.2
207.10248	8.0
219.10295	1.8
223.13391	78.3
224.13663	5.2
225.11320	2.7
231.06615	2.3
233.04558	2.4
235.09888	0.9
247.09695	3.3
265.10797	4.2
265.13168	0.9
267.12369	42.5
268.12589	4.4
355.14038	10.1
399.07239	0.9
399.12195	0.5
399.16562	11.8
400.16757	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.6
59.01379	100.0
69.33944	11.0
70.93056	1.4
71.01385	4.7
72.39180	1.3
85.02968	3.2
87.00835	2.1
89.02468	1.6
93.03410	2.0
94.69273	1.2
99.00883	2.0
101.02438	3.1
102.12148	1.3
123.04515	9.5
123.08169	2.6
125.02438	1.5
125.06001	1.3
137.06093	1.8
139.03969	1.4
139.11259	1.4
149.04614	6.0
161.04523	3.2
161.13330	2.5
163.04010	1.9
163.11292	4.1
165.09152	4.8
171.30914	1.4
179.72356	1.6
207.10248	16.7
219.06361	1.3
219.10216	4.6
223.13390	75.9
224.13695	3.2
247.09695	7.1
265.10825	9.3
267.12375	43.0
267.15472	2.2
267.20337	1.3
268.12643	2.3
291.12848	1.3
333.74307	1.5
355.13980	22.6
356.14319	1.7
399.12009	2.0
399.16711	10.8
416.74454	1.3
417.88483	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	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75317	0.6
57.03458	4.5
59.01379	100.0
60.01710	1.5
60.99324	0.7
61.98845	3.1
62.54100	0.6
69.39189	1.2
69.39599	3.1
71.01392	5.0
71.05019	1.4
72.99353	0.7
73.02961	1.5
79.66280	0.7
81.03455	1.0
83.01375	1.6
83.05041	1.4
85.02962	2.9
87.00900	2.7
89.02429	4.3
89.05682	0.6
93.03486	2.0
97.06623	0.8
98.20783	0.6
101.02464	3.0
109.02967	0.7
113.02474	2.0
115.04027	1.3
119.03530	0.7
119.05048	1.0
123.04527	18.1
123.05398	1.2
124.04895	0.9
125.02420	3.7
127.05189	0.6
130.86183	0.6
131.03549	1.8
137.02493	2.5
149.04559	15.4
153.05579	22.0
154.05942	0.9
161.04541	1.4
161.09805	0.7
161.13367	2.5
163.04047	0.8
163.11320	2.9
173.04521	1.6
175.11192	0.9
187.04031	1.4
187.11263	1.2
189.09105	0.7
191.05740	0.6
205.12218	1.5
207.10327	1.6
211.96063	0.7
219.10263	1.0
223.13388	63.7
224.13715	5.5
233.04584	1.9
249.11339	0.8
261.04080	1.2
267.12366	54.0
268.12711	4.8
302.48221	0.7
399.11002	4.5
399.16724	15.7
399.24435	1.1
400.17145	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	397.215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71938	33.8
61.98839	32.6
71.00178	77.1
76.08131	30.1
77.93108	27.0
80.61651	26.3
97.14029	27.9
145.96414	28.1
281.28583	31.1
289.25406	58.4
315.51556	31.6
335.25903	90.7
379.24695	100.0
382.32782	32.1
397.25677	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26557	0.5
57.03444	1.9
59.01380	17.8
60.01718	0.9
61.85677	0.4
61.98830	100.0
69.03443	0.8
71.01381	4.3
71.47913	0.9
73.02959	1.8
83.01420	1.0
85.02946	2.4
87.00905	1.7
89.02449	2.5
92.05090	0.9
93.03457	4.0
94.03790	0.6
96.54486	0.4
99.00914	0.8
101.02454	1.8
108.02171	4.6
109.02981	1.5
111.00851	0.6
111.04557	1.0
113.02470	2.2
114.02759	0.6
125.02454	1.4
129.01996	0.6
137.02496	0.8
149.04568	4.0
151.07701	0.6
152.01210	2.0
153.01918	0.8
161.02455	0.4
161.04576	1.5
173.04555	4.7
174.04880	0.6
181.12410	2.0
187.04018	0.8
191.05650	2.0
195.06664	2.4
207.10432	0.6
223.13377	6.6
225.11372	1.4
233.04561	1.0
267.12354	5.1
271.05948	0.5
355.14200	0.6
384.62952	0.5
398.15475	2.2
399.12872	1.9
399.17181	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0719
Annotation	Theaflagallin
Peak:m/z	Relative Intensity
56.97284	0.5
57.03432	1.8
59.01377	8.3
61.50944	0.6
67.01883	0.6
71.01377	1.1
71.53475	0.6
71.53890	0.6
71.54541	0.6
73.02929	0.8
83.01372	1.5
85.02943	1.4
89.02438	1.4
93.03441	1.9
95.04991	0.7
97.02930	1.6
101.02425	0.8
103.21658	0.5
109.02956	0.9
111.38744	0.6
113.02433	0.7
115.05470	0.6
117.03508	0.6
119.03490	0.6
119.04969	1.7
121.02954	2.0
121.06543	0.8
125.02438	10.4
126.02728	0.7
131.05025	2.6
133.06593	1.9
135.04536	1.2
137.02428	7.1
143.05028	0.9
149.02475	0.7
149.04573	1.6
149.06067	2.1
150.96878	0.6
159.04510	9.4
160.05104	0.6
161.02440	1.0
161.06096	2.6
163.04027	1.0
165.01924	11.0
166.02528	0.5
167.03494	1.4
171.04475	0.9
173.04549	2.4
175.03987	2.1
177.01859	0.6
177.05479	1.0
179.03339	0.8
187.03996	42.4
188.04663	4.0
189.05565	3.2
190.02647	1.6
191.03435	0.9
191.05591	1.1
193.01416	0.8
199.03947	1.1
203.03474	5.8
204.04201	3.4
205.05048	19.1
206.05353	0.9
207.02968	5.8
213.01845	0.8
215.03490	14.5
216.03990	1.4
217.04996	1.1
219.02925	2.2
223.13451	2.9
227.03494	2.3
231.02971	3.7
232.03680	3.1
233.04532	100.0
234.04906	4.9
237.07579	0.6
243.02853	1.4
245.04590	2.1
246.04936	0.7
255.03006	2.1
256.03687	1.3
259.02466	1.9
260.03189	2.4
261.03989	19.1
262.04370	1.2
267.06726	0.9
267.12415	1.0
271.06079	1.1
273.04083	6.4
277.32870	0.6
285.03952	0.9
294.05618	0.7
295.06161	1.0
297.03815	1.0
313.07239	2.2
315.05075	0.9
327.08661	0.7
337.07184	2.3
355.08401	3.1
363.05408	0.7
381.06131	4.3
399.07190	34.8
400.07568	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	397.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59141	0.7
54.61434	0.7
57.03432	2.7
59.01380	6.1
61.98836	6.0
67.01885	0.8
69.03461	0.9
69.36529	0.7
69.42017	2.1
69.42438	2.9
71.01384	3.3
71.26369	0.6
75.00872	1.1
78.95930	0.6
81.07154	0.8
83.05041	2.7
85.02956	2.4
87.00863	1.6
93.03455	11.1
97.06585	0.7
98.20650	1.4
101.02393	1.1
109.02921	0.9
111.00885	1.8
111.04522	5.6
113.02441	1.2
121.02950	1.4
123.04540	3.1
129.01927	1.2
135.11809	12.7
136.12135	1.5
137.02434	1.4
143.03557	0.9
149.02399	1.9
149.04558	0.6
155.03482	5.8
161.09723	1.2
163.04057	1.1
164.04794	2.2
173.04561	24.2
173.06070	1.4
179.10782	100.0
180.11122	6.9
191.05612	6.8
203.10564	0.9
207.10306	2.9
223.06195	2.2
223.09758	28.5
224.10081	2.2
264.31900	0.7
265.10895	4.3
330.66559	1.8
397.15057	17.5
398.15421	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	397.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66340	0.8
50.66579	0.9
57.03443	4.5
59.01380	7.5
61.98843	5.7
62.02671	0.9
66.54585	1.0
67.01886	2.1
69.30214	1.1
69.30621	6.3
71.01381	3.8
73.02924	2.0
74.23528	0.8
75.00871	1.0
81.03445	1.1
83.01348	0.8
83.05016	2.5
85.02934	3.4
87.00867	2.6
89.02442	1.7
92.05025	0.8
93.03444	10.3
97.44249	0.8
99.00888	1.2
101.02438	2.1
109.18836	0.9
111.00893	4.6
111.04514	5.2
113.02449	1.3
119.05040	1.1
121.08074	0.9
123.04552	1.8
125.02480	1.1
129.01942	1.8
135.11795	14.9
137.02419	1.7
149.02417	1.7
154.78195	0.9
155.00034	0.9
155.03516	6.1
161.09727	1.4
164.04776	1.8
173.03123	1.8
173.04547	23.8
177.12820	1.1
179.10774	100.0
180.11105	5.9
191.05605	8.5
207.10271	1.5
223.06078	2.3
223.09747	29.2
224.10118	2.3
265.10800	3.5
295.52597	0.9
309.09763	1.5
330.66647	1.3
348.54510	0.9
397.14999	20.2
398.15247	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	397.1139
Annotation	4-sinapoylquinic acid
Peak:m/z	Relative Intensity
51.90567	0.6
59.01356	1.0
61.98820	0.7
67.01877	0.9
69.56590	4.3
71.01368	1.2
83.05016	1.3
85.02956	3.5
93.03447	8.6
111.00898	0.8
111.04524	4.1
117.03447	0.9
121.02975	9.3
129.01738	0.9
132.02159	1.6
137.02403	1.3
140.36270	0.7
147.04544	5.3
149.02437	69.2
150.02757	2.7
155.03465	3.4
161.09038	0.7
164.04793	54.0
165.05113	2.6
171.23419	0.7
173.04547	25.2
174.04829	1.0
177.24297	0.8
179.07127	2.9
191.05643	5.0
209.36787	0.8
222.68756	0.7
223.06107	100.0
224.06427	7.1
282.91129	0.7
312.32983	0.7
344.43619	0.7
397.11334	6.1
398.12082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66690	0.3
57.03439	0.9
59.01375	2.2
60.19024	0.3
60.99292	0.5
65.03961	0.3
67.01891	4.8
69.03441	1.3
70.90224	0.6
71.01388	3.1
74.96945	0.3
81.03458	1.1
83.05016	1.0
85.02943	0.7
87.00875	0.4
93.03458	29.6
93.71036	0.3
94.03796	0.9
107.63855	0.3
109.02943	0.9
111.00903	1.0
111.04520	4.8
113.02432	0.4
117.03433	0.5
121.02976	2.1
127.04052	0.3
132.02153	0.6
133.59686	0.2
135.67540	0.3
137.02429	4.7
147.04503	1.0
149.02440	14.9
150.02808	0.4
155.03503	4.9
164.04791	10.4
165.05147	0.5
173.04543	100.0
174.04893	3.7
179.07072	0.7
191.05580	0.6
208.03708	0.5
223.06110	14.4
224.06445	0.8
224.85539	0.3
230.76611	0.3
272.01813	0.3
380.74911	0.3
397.11295	2.5
407.19943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15521	0.4
51.36726	0.3
57.10228	0.4
59.21183	0.4
61.98827	1.4
69.76788	0.4
70.94672	0.7
82.56263	0.3
99.92581	2.7
100.93361	4.2
101.93392	0.5
103.45538	0.5
115.92078	100.0
116.92090	5.7
116.92873	3.0
132.92352	0.8
210.22403	0.5
284.84348	0.4
395.22208	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32919	0.3
55.01872	0.7
57.03437	0.6
59.01379	100.0
60.01714	1.1
61.98827	6.2
69.27055	2.9
71.01387	3.9
73.02950	1.5
74.24289	0.3
80.04625	0.3
83.01389	1.0
85.02946	2.6
94.86778	0.3
95.01395	0.4
98.19876	0.7
99.00882	0.9
101.02436	5.6
102.00710	0.3
111.00885	0.4
112.00982	0.3
113.02432	2.6
132.56927	0.3
159.03035	0.8
161.04555	3.6
173.04562	0.4
204.11595	1.1
207.92030	0.3
219.13921	0.9
247.09915	0.3
263.12836	3.4
263.15372	0.4
264.13364	0.4
307.57434	0.3
335.20740	18.3
336.21039	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	395.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01927	0.5
59.01373	1.9
61.53786	0.5
70.58311	1.1
71.01389	1.1
73.40572	0.5
74.52532	0.4
88.39577	0.5
107.94644	0.5
117.01930	1.1
121.71507	0.5
277.21713	100.0
278.22064	10.7
308.18103	0.6
395.24365	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0927
Annotation	Lavendamycin
Peak:m/z	Relative Intensity
50.44890	0.8
57.03453	9.9
57.56670	0.8
59.01384	6.1
61.21424	0.8
61.98823	2.3
64.01828	0.9
68.99818	2.9
71.01369	2.8
71.53429	1.5
71.53813	1.0
74.80722	1.1
83.01367	2.1
85.02958	1.5
87.00848	0.9
89.02447	3.0
101.02449	2.1
113.02461	1.9
115.01508	0.9
124.01672	4.3
125.02451	100.0
126.02775	3.1
132.53584	1.0
133.02927	1.2
148.01613	1.2
149.02455	1.2
153.01880	1.1
161.02441	1.6
173.02429	3.3
177.01933	4.5
182.15250	1.0
185.02408	1.0
187.03909	0.9
189.01964	4.5
198.03175	1.0
199.03923	1.5
199.07578	1.4
200.01149	2.5
201.01938	5.4
202.02692	1.7
203.07175	1.6
209.06235	1.1
211.03966	2.1
212.04866	0.9
215.03490	3.3
215.07140	2.6
217.01404	21.2
218.01793	1.4
223.03810	1.0
225.05576	2.3
227.03534	1.6
227.07152	2.2
228.00645	10.4
228.04207	2.4
229.01433	7.5
229.04965	1.5
230.02217	9.5
231.02634	1.3
231.06615	1.9
239.03543	3.4
240.04218	1.8
241.08839	1.1
243.02988	4.1
243.06573	4.3
244.03735	2.6
253.04962	1.9
254.05659	1.2
256.03790	7.6
257.04532	1.0
259.06110	5.1
266.05545	1.0
267.02942	2.3
268.03738	14.4
269.04333	2.1
271.03140	1.2
271.06122	24.2
272.06583	1.9
281.04477	3.9
281.07715	1.3
282.05356	3.5
283.02386	1.1
283.09778	2.4
286.04532	1.2
287.09180	1.1
298.04883	1.4
309.03870	1.7
310.04843	9.5
311.05930	1.3
311.09192	5.9
325.10822	1.6
326.04523	1.5
351.08740	1.6
353.10208	4.8
354.03818	21.8
354.10501	1.1
355.04181	0.9
358.00095	1.0
379.08102	2.1
397.09256	52.8
398.09726	5.7
404.48392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
61.98819	0.7
63.02391	2.0
65.00325	1.8
69.49413	1.1
74.74227	0.2
79.27846	0.2
80.57396	0.2
84.72323	0.2
92.92191	0.2
107.01376	1.9
123.04510	0.2
123.08170	1.0
124.26035	0.2
125.06090	1.8
137.06047	0.6
145.02977	0.3
147.08203	1.5
148.01695	0.5
149.02443	2.6
151.00392	0.8
156.99234	0.2
159.04503	0.8
160.05307	1.2
161.02486	0.4
161.09682	0.4
165.09215	1.0
166.76393	0.2
167.07111	0.2
176.01212	0.3
189.09207	5.6
190.09575	0.2
191.07120	0.7
198.93253	0.2
203.03484	4.8
204.04260	10.3
204.07938	0.6
205.04834	0.8
205.08612	0.7
217.08655	0.2
218.05804	1.0
232.07430	0.7
233.08174	100.0
234.08516	7.9
245.08231	0.3
247.09688	0.8
275.09277	1.7
353.85727	0.2
395.13443	52.1
396.13797	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	395.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10105	14.7
59.01378	100.0
61.98824	30.8
69.42194	18.5
69.54328	62.2
69.54726	39.3
74.32692	18.1
80.13401	14.1
85.02942	19.6
96.96017	30.1
109.37637	16.3
114.95729	19.9
114.96504	14.1
123.59999	15.4
169.11595	16.3
253.08582	17.6
395.24344	70.7
396.24487	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	395.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	17.4
61.86843	12.8
61.98838	100.0
62.55133	13.4
69.42551	29.9
69.42963	70.3
73.24315	11.7
75.97415	12.1
78.95903	15.9
97.17740	14.1
108.75168	13.6
111.00898	15.1
129.17636	14.5
158.31914	13.6
162.27089	16.0
164.74049	15.2
187.78098	17.0
255.62781	12.8
395.02170	17.8
398.55676	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	395.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
60.99308	13.6
61.98814	0.7
71.01376	0.8
71.51845	0.8
78.39945	0.5
83.34276	0.5
85.02953	1.1
86.89712	0.5
87.00874	0.6
88.98806	100.0
89.99138	1.0
91.85110	0.6
105.72545	0.6
105.92760	0.6
115.05260	0.6
116.59418	0.5
118.73449	0.6
125.02473	0.8
125.12653	0.7
245.83345	0.6
246.15530	0.6
267.68475	0.6
281.08807	0.9
288.71646	0.6
394.96301	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22791	0.8
57.03451	1.2
59.01370	2.6
61.01002	2.9
68.99815	2.0
69.90620	3.4
69.90990	1.6
71.01388	2.8
72.99329	5.7
73.02938	1.6
75.00875	1.9
75.02583	2.1
83.01408	2.0
85.01023	4.2
85.02956	2.6
87.00885	5.8
87.04523	1.4
88.98811	1.4
89.02457	2.7
98.00094	1.2
98.20625	1.7
99.00829	1.9
99.02574	1.2
101.02457	4.1
103.00388	1.1
112.98832	5.1
113.02454	1.8
114.28278	0.8
114.98481	1.9
115.00382	0.9
115.02075	4.2
123.00922	1.1
124.98805	1.4
129.03651	1.1
131.03485	2.6
133.01401	2.7
142.99855	2.3
143.01514	1.2
145.01433	3.2
149.04587	2.2
157.01431	3.9
157.03134	16.5
171.01024	4.2
175.04143	7.8
185.00911	1.1
187.02487	1.7
189.04170	1.9
189.05757	3.4
201.63559	1.0
217.05205	4.3
231.03157	1.5
247.02655	3.8
247.06053	0.9
259.06226	1.2
263.05771	13.2
264.06195	1.0
303.05286	2.3
335.02853	1.2
356.28214	0.8
363.07468	2.4
387.48642	1.0
395.10007	100.0
396.10272	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	395.1343
Annotation	Spicatolide A
Peak:m/z	Relative Intensity
56.26469	0.5
58.97786	0.5
59.01378	2.2
61.01795	0.5
61.98809	1.5
69.61184	1.1
69.61594	2.8
77.03974	1.2
90.95879	0.5
93.03453	1.1
99.98991	0.5
104.30231	0.6
105.03474	0.7
121.02964	0.6
123.04520	0.7
123.08145	0.9
125.02407	0.7
125.06101	0.8
149.02415	3.0
151.07607	2.1
161.02423	0.8
163.04001	1.9
173.04584	0.8
175.03996	0.6
190.02762	0.8
191.05554	1.4
195.06613	8.5
196.06905	0.8
202.06337	0.8
203.03520	0.7
203.10756	0.7
207.10364	0.7
217.03186	0.6
217.05035	21.0
218.05812	27.9
219.06270	2.5
228.04337	0.6
232.07381	2.0
233.08246	1.4
247.09749	61.0
248.10071	4.9
257.08224	2.3
271.11935	0.6
273.07690	0.8
275.09250	100.0
276.09534	9.2
278.07889	0.5
284.72180	0.5
287.09317	2.9
305.10486	3.2
314.10458	0.5
357.11758	0.8
366.20224	0.6
395.13449	69.5
396.13800	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	394.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16286	0.4
59.01381	9.6
60.01697	0.8
61.98830	100.0
63.63427	0.5
71.01383	1.0
71.53288	0.8
72.07958	0.5
72.72477	0.6
75.57586	0.5
85.02950	1.0
87.36462	0.5
88.98830	1.1
93.03464	2.7
95.36019	0.6
101.02449	0.5
104.26402	0.5
106.06625	0.6
119.05052	0.8
163.04021	0.6
173.04558	4.3
191.05655	1.6
228.07086	0.5
236.97894	0.5
250.06754	1.2
291.24094	0.5
337.09534	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97395	3.1
59.01369	6.5
60.08209	3.3
61.98830	100.0
71.05839	3.2
71.06160	3.2
93.95387	3.4
116.46001	3.3
117.67860	2.7
127.58723	3.1
145.09668	2.6
228.56729	3.1
313.18082	7.0
331.19110	53.4
332.19312	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	394.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92578	2.0
57.03427	2.3
61.98830	79.7
67.39825	2.1
70.78431	6.0
71.54816	1.9
72.31538	1.9
83.04986	2.4
177.86340	2.3
210.23505	2.4
212.75830	2.3
241.19595	3.0
287.19922	2.3
313.18228	10.0
331.19116	100.0
332.19485	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	393.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19879	9.5
59.01381	100.0
61.98823	52.5
67.08641	11.1
70.02572	9.9
71.01389	16.6
71.53661	13.6
77.11540	9.2
87.00886	17.1
101.02448	13.6
106.34455	8.0
108.98553	8.7
125.02459	26.9
169.96368	9.6
273.08469	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	393.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53796	30.0
61.98819	27.8
70.01016	50.8
70.01420	100.0
75.51782	27.9
79.79710	26.3
128.38239	26.3
141.11626	27.6
176.43645	27.0
363.22208	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14581	0.7
59.01391	3.5
60.99294	0.9
61.94363	0.8
61.98830	100.0
71.01384	1.7
75.00841	0.7
77.87696	0.7
85.02952	0.9
87.00887	1.3
88.98814	8.3
89.02451	1.3
99.43730	0.7
125.02451	31.3
161.04559	0.8
169.01422	81.9
170.01816	2.2
251.67223	0.8
313.05798	1.5
331.06680	25.8
331.10406	1.3
332.07205	2.8
333.57486	0.7
361.48425	0.7
395.11505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.4
60.01709	1.2
61.98831	100.0
70.37411	0.8
70.37803	0.8
71.01376	1.0
72.01754	0.4
85.02977	0.8
87.00912	0.5
88.98811	0.6
93.03442	2.3
101.02464	0.4
106.06658	0.5
111.04520	0.5
113.02480	0.6
119.05058	1.2
120.99670	0.5
130.50676	0.4
137.53172	0.4
163.03995	0.7
163.14803	0.4
173.04576	4.6
191.05499	2.1
250.06715	1.0
257.66772	0.4
327.08749	0.8
328.09695	0.5
334.19254	0.7
351.14645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01381	100.0
60.01707	1.1
60.75039	0.3
61.98827	0.7
71.01385	5.0
71.53279	0.4
73.02966	1.9
75.34673	0.3
81.03471	0.9
83.01393	1.1
85.02949	3.5
87.00919	0.3
88.98806	0.7
89.02442	0.5
93.03413	0.3
93.25465	0.3
95.01395	0.6
99.00200	0.3
99.00877	1.1
101.02451	4.5
109.06606	0.8
111.04517	1.0
113.02456	3.0
119.03477	0.4
125.02422	1.5
130.08752	0.4
136.05315	0.4
151.07654	11.1
152.07983	0.3
159.03014	0.5
161.04530	3.7
177.05537	0.9
195.06624	58.0
196.06931	3.4
237.07561	0.4
244.89355	0.3
279.14542	0.3
308.62958	0.3
333.19171	15.9
334.19421	1.4
357.11911	8.8
358.12216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01695	0.8
61.98835	1.7
97.86976	0.6
116.64655	0.7
123.66298	0.7
144.60422	0.7
147.11876	1.2
153.09262	1.2
154.93825	0.6
160.82748	0.7
189.09158	0.8
233.68538	0.7
285.18750	1.2
303.19672	8.8
304.19867	1.3
311.62759	0.7
333.20996	0.9
363.96069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00822	0.7
57.43514	0.6
59.01378	100.0
60.01705	1.4
61.07736	0.6
61.98826	2.1
70.11404	0.5
71.53191	0.9
71.97373	0.5
73.21893	0.5
88.96701	0.6
92.68061	0.5
105.88540	0.6
178.70474	0.6
191.14450	0.6
207.47308	0.6
221.15509	2.4
232.30196	0.7
285.18567	6.3
286.19107	0.8
303.19601	6.8
304.19888	1.0
315.19720	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78748	0.5
57.03453	0.5
58.00592	0.6
59.01381	100.0
60.01711	1.0
61.98820	0.5
69.63950	3.2
71.01379	8.1
78.81202	0.4
85.02959	1.5
85.74738	0.4
87.00900	0.8
89.02443	12.5
89.75156	0.5
101.02439	3.8
113.02457	3.5
119.03512	4.2
125.02557	0.5
135.28600	0.5
143.03566	0.6
157.30185	0.5
161.04550	1.2
163.02510	0.6
179.05623	3.0
333.19565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51043	0.4
55.01886	0.5
57.03464	0.7
58.00602	0.4
59.01380	100.0
60.01718	1.3
61.98835	1.4
69.59042	2.1
71.01385	7.9
73.02939	2.8
73.23306	0.4
76.92709	0.4
81.18085	0.4
83.01366	1.2
85.02946	3.1
89.02453	3.1
95.01426	0.5
98.19885	0.6
99.00871	0.9
101.02439	6.4
113.02455	3.3
119.03523	1.3
125.02496	0.5
126.75221	0.5
135.03128	0.6
143.03516	0.8
156.36380	0.4
157.27158	0.5
159.03067	1.1
161.04572	9.1
173.04527	0.5
205.28979	0.4
209.11856	2.1
263.40625	0.5
333.19196	10.7
334.19589	1.0
374.09625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.8
57.03448	3.7
59.01380	88.1
60.01708	1.0
61.98821	5.4
67.01887	0.9
67.44629	0.7
69.33916	5.9
71.01378	34.0
72.99298	1.3
73.02944	22.4
83.01391	6.5
85.02951	16.0
86.03256	0.8
87.00863	2.3
87.04472	0.9
89.02444	6.6
93.03448	3.1
94.82870	0.8
95.01365	3.5
97.02935	0.8
98.19912	1.5
99.00885	7.3
99.08207	0.8
101.02442	33.1
109.99237	0.7
111.00870	1.3
113.02453	16.4
117.05570	1.1
119.03502	0.7
119.05026	1.5
120.99649	1.3
125.02441	1.4
129.01949	1.1
131.03491	2.1
137.02452	1.2
143.03455	1.4
157.08661	1.6
159.02994	2.5
161.04535	13.4
163.03955	1.2
171.10268	1.3
173.04559	4.9
182.93613	0.8
183.10237	1.5
187.09764	1.5
191.05591	2.0
195.10095	1.0
199.13474	0.9
201.11333	3.1
211.07541	1.3
250.06641	1.6
261.13416	49.3
262.13672	3.5
279.10849	2.2
283.90710	0.7
327.08673	1.1
333.19040	6.0
337.09268	0.8
347.17538	0.8
351.19888	0.9
393.17648	100.0
394.18027	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	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54308	1.4
55.01875	1.5
57.03439	2.5
58.00591	3.0
59.01380	100.0
61.98819	3.5
68.73507	1.2
69.61285	7.6
70.27813	1.2
71.01381	61.8
72.99294	4.5
73.02945	23.5
73.40331	1.3
83.01382	3.1
84.95675	1.1
85.02953	17.0
87.00872	2.8
89.02448	77.6
91.05402	1.3
93.03455	4.6
95.01375	5.3
98.20630	2.3
99.00879	74.5
101.02443	27.7
111.00949	1.3
113.02451	35.4
114.02740	1.3
119.03497	18.2
119.04899	2.0
120.99646	3.2
125.09727	2.1
131.03482	10.7
137.02415	2.2
143.03499	6.7
145.06517	1.5
149.04555	35.7
155.03548	1.4
161.04553	20.1
161.78905	1.3
173.04536	14.8
179.05615	9.8
187.09802	1.1
189.14938	1.5
191.05606	36.7
192.05971	1.4
198.75177	1.3
233.06656	6.8
261.13394	4.0
293.08817	1.2
333.19016	1.2
351.20200	2.2
393.17612	63.7
394.17914	7.3
400.27631	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65042	0.6
52.65397	0.6
59.01374	5.9
60.42033	0.6
60.80066	0.6
61.98832	100.0
71.53772	0.7
73.02924	0.7
92.24646	0.6
153.09222	1.2
247.58676	0.7
333.20654	5.0
377.86389	0.6
403.38364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56880	0.5
57.03435	1.8
59.01374	5.3
61.98835	6.8
65.03947	0.8
68.75028	0.5
69.44131	3.9
71.01384	1.0
79.05515	0.9
81.03458	2.0
85.02944	3.6
87.04514	2.5
95.05026	4.3
98.19904	1.2
99.08101	0.6
101.02421	0.8
101.06064	1.2
107.05063	0.7
119.04980	0.6
121.02995	0.7
121.22883	0.6
122.03745	2.7
123.04565	3.3
123.08132	1.3
133.06528	1.1
133.10239	3.1
135.04529	6.6
135.08168	0.9
136.05276	2.1
137.06071	1.5
149.06081	0.7
159.08139	1.9
160.55684	0.6
161.02486	0.7
162.03210	1.7
162.06958	0.6
163.03961	1.4
163.11275	1.9
165.09215	2.8
174.03195	0.7
175.03978	5.0
175.07610	0.6
177.09204	26.2
178.09538	1.6
179.03362	0.6
189.01994	0.6
190.02649	0.8
203.07072	2.6
207.10239	8.1
208.10663	0.6
217.12305	4.2
217.15970	2.4
219.10252	16.5
220.10724	1.3
221.08086	0.8
231.06590	2.6
231.10191	1.2
243.13934	5.7
245.11734	0.7
246.08957	14.5
247.09607	5.2
259.09735	21.1
259.12900	1.0
259.13568	0.9
260.10132	2.0
261.14920	31.7
262.15225	3.3
263.09286	0.8
263.13022	0.6
265.07260	1.0
272.10574	1.1
277.14471	4.9
287.12930	7.0
303.12195	2.8
305.13812	5.7
329.61841	0.6
331.11795	1.2
349.12900	100.0
350.13196	11.5
350.17316	0.8
363.86459	0.7
393.11957	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59354	0.6
57.03451	2.0
59.01377	5.3
61.79636	0.6
61.98831	9.5
71.01378	1.5
71.05005	0.8
71.54084	0.7
75.91393	0.5
78.95907	1.5
79.05541	0.7
81.03450	3.0
82.05781	0.6
85.02970	3.8
87.00891	1.4
87.04534	4.3
89.02489	0.9
95.05032	6.2
101.02447	1.5
101.06059	1.6
101.64888	0.7
103.04032	0.8
121.02959	0.9
122.03723	2.7
123.04530	2.7
123.08196	0.8
125.06091	0.7
133.06567	1.1
133.10181	3.7
135.04524	6.4
135.08128	1.1
135.49600	0.6
136.05270	2.0
137.06065	1.3
139.11276	0.9
159.08170	1.3
161.02397	1.4
161.06052	0.7
162.03185	2.0
163.04037	1.5
163.11279	1.0
165.09183	1.9
171.00693	0.8
175.03969	5.8
175.11313	0.9
177.09213	27.2
178.09544	1.1
191.06978	0.6
191.10779	0.8
202.13855	0.8
203.07104	2.9
203.10703	0.7
207.10268	7.8
217.08763	0.9
217.12383	3.5
217.15915	3.3
219.10260	16.9
220.10707	1.2
229.08507	0.7
231.06615	6.1
231.10204	1.3
243.13898	6.4
245.08124	0.8
246.08963	15.8
247.09660	5.4
259.06982	1.3
259.09732	20.6
259.12903	0.9
259.13531	0.8
260.10135	1.7
261.14951	31.9
262.15317	2.5
263.09076	0.8
265.07150	1.1
277.14404	3.7
287.12927	7.0
303.12436	2.5
305.14005	5.3
331.11877	1.3
349.12906	100.0
350.13342	10.9
393.12103	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	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.3
59.01379	100.0
60.01728	1.2
61.98832	6.8
64.02511	0.3
71.01392	1.5
71.53734	0.4
71.54131	0.4
73.02946	0.8
78.95903	2.3
79.95723	0.5
81.97757	0.4
82.94106	0.3
83.01410	0.4
85.02959	1.0
87.00913	0.5
88.98824	1.3
93.03487	0.7
100.16190	0.4
100.81904	0.4
101.02447	0.8
107.05064	0.5
113.02467	0.9
121.02952	0.8
121.75184	0.3
123.04542	0.7
125.02472	0.4
139.76349	0.4
161.04654	0.5
163.04024	0.5
171.00662	1.6
199.13312	0.4
200.91133	0.3
228.11557	0.7
229.08772	1.0
331.32220	0.4
359.09204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2127
Annotation	Rubescensin Q
Peak:m/z	Relative Intensity
58.90268	0.6
59.01380	100.0
59.78559	0.6
60.01710	1.4
61.98814	1.4
69.20399	3.0
69.20835	2.7
72.99326	0.6
83.05022	3.4
108.15627	0.6
135.08215	0.9
137.06123	0.7
137.67245	0.6
149.09732	1.5
163.07686	1.2
217.08763	1.0
285.18640	1.5
301.18149	0.9
303.19714	2.2
313.18182	2.3
315.16333	0.7
331.19144	15.9
332.19519	1.5
355.25052	0.9
391.29996	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.6
61.98830	100.0
69.41708	2.2
99.80417	0.3
109.12679	0.3
123.04527	1.0
125.02470	0.5
167.03485	4.9
167.04761	0.4
168.03885	0.4
171.23792	0.3
181.29015	0.3
329.08777	0.9
392.08481	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.8
60.01708	0.5
61.98831	100.0
69.61253	0.9
69.61652	1.8
71.01389	2.4
73.02950	0.5
73.94065	0.4
81.03464	0.8
83.01399	0.5
85.02969	1.0
87.00887	0.5
89.02467	1.6
93.03448	1.2
95.07929	0.3
101.02466	0.8
113.02494	0.9
119.03527	0.4
123.04523	7.6
123.05386	0.5
124.04882	0.4
125.02486	1.2
137.02467	0.9
149.02496	0.4
151.00415	0.4
153.05586	0.4
156.48534	0.4
167.03494	30.4
168.03877	1.6
173.04553	1.1
181.05074	0.8
191.03522	7.9
191.05360	0.7
191.60391	0.3
192.03917	0.5
200.09016	0.3
201.11346	0.4
209.04523	3.2
221.04610	1.1
236.55504	0.4
261.13428	1.2
279.10919	2.2
329.08774	15.4
330.09283	1.5
392.16556	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69159	0.5
53.80872	0.6
59.01373	4.2
61.98830	100.0
66.92407	0.5
71.53600	0.7
71.54001	0.7
72.41176	0.6
151.24731	0.6
184.68239	0.5
239.57747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
59.01381	100.0
60.01721	0.8
61.98831	5.8
68.99867	0.6
71.01384	2.0
71.53841	1.1
78.95895	3.4
80.96527	0.7
82.10577	0.5
83.01393	0.6
85.02975	1.2
87.00875	0.6
88.98817	1.7
89.02470	1.0
93.03454	0.9
101.02467	1.1
115.90118	0.5
121.02955	0.9
123.04503	0.7
125.02404	0.9
127.00420	0.8
137.02466	0.8
161.04630	0.7
163.03896	0.6
171.00685	1.9
173.04579	0.7
228.11591	1.1
229.08731	1.0
229.14346	0.7
238.20752	0.6
289.16785	0.5
305.13242	0.6
338.15097	0.6
376.89151	0.6
388.84714	0.6
391.19348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60769	0.4
55.80347	0.4
57.03435	0.4
58.00611	0.4
59.01380	100.0
60.01714	1.2
67.95368	0.4
71.01378	4.8
73.02952	1.0
83.01390	0.7
85.02939	2.4
87.00916	0.4
89.02438	6.3
93.03451	2.4
95.01408	0.8
98.19873	1.1
101.02439	3.6
102.49081	0.4
108.02177	1.7
109.02991	2.0
113.02457	4.7
119.03476	2.8
119.05012	0.7
131.03578	0.5
137.02417	2.8
143.03506	0.8
151.00421	0.8
155.03494	0.5
161.04584	1.7
163.04021	0.6
173.04536	2.8
179.05672	1.8
205.97354	0.5
226.20535	0.4
229.05162	0.7
236.55736	0.4
269.04663	1.8
281.06616	2.4
302.60580	0.4
322.17081	0.4
331.17795	1.4
350.49017	0.4
354.87680	0.4
391.10263	3.7
391.19983	0.7
395.94415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.6
57.03444	1.1
59.01380	100.0
60.01721	0.9
69.48928	3.4
71.01388	9.0
72.99300	0.5
73.02966	2.0
83.01407	1.3
83.02193	0.5
85.02962	4.3
89.02443	2.3
93.03512	0.6
95.01426	0.5
99.00871	1.2
101.02441	7.4
113.02471	3.3
119.03498	1.0
123.13558	0.5
140.78255	0.6
159.02994	0.5
161.04552	7.7
173.04556	1.8
303.88110	0.6
331.13687	0.8
331.17612	11.7
331.21292	0.9
332.17996	1.3
391.19891	3.2
391.27005	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16167	0.5
57.03465	0.9
58.17859	0.5
59.01378	100.0
60.01722	1.7
61.98825	6.0
67.01901	1.1
69.53865	3.2
71.01381	9.5
73.02956	2.5
73.45531	0.5
83.01368	0.8
83.08593	0.6
85.02955	3.8
87.00894	3.1
88.31123	0.5
89.02447	5.1
93.03461	10.7
93.04032	0.8
98.04365	0.5
99.00887	1.1
101.02431	4.8
111.00898	0.8
111.04541	1.6
113.02445	3.9
114.29269	0.6
119.03527	1.9
129.01949	0.6
150.03169	0.7
155.03561	0.8
155.10805	1.3
157.08749	1.7
161.04599	2.0
165.05592	0.7
167.03549	0.9
173.04520	5.4
179.05650	1.5
187.13475	0.7
191.05594	2.8
193.01392	0.6
215.12914	0.6
217.10847	1.4
217.14563	2.2
229.14494	1.1
329.08875	1.0
331.17618	2.7
349.18747	2.3
391.16174	10.1
391.19830	12.8
392.15854	1.0
392.20184	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
58.99127	0.7
59.01380	100.0
59.84116	0.6
60.01707	1.2
61.98832	0.8
67.01881	0.9
69.54572	4.3
71.01387	8.1
73.02950	3.2
83.01387	1.3
85.02934	5.0
89.02454	2.0
92.23618	0.6
93.03470	2.9
95.01362	0.7
97.03008	0.8
99.00910	1.7
101.02448	5.0
113.02444	5.2
119.03523	0.7
119.05063	1.6
123.48237	0.6
125.02460	1.1
137.02425	0.7
151.00365	1.7
161.04539	7.0
163.03990	0.8
173.04533	9.1
175.02478	0.7
201.42744	0.7
211.13364	0.9
219.65559	0.6
224.95737	0.7
237.09329	0.8
243.12411	1.0
269.04568	6.2
270.04868	1.0
331.17593	12.2
332.17923	1.2
360.46988	0.6
389.10098	0.6
391.14554	1.0
391.19864	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55740	0.5
57.03443	0.5
59.01379	100.0
60.01723	1.2
69.44880	1.1
69.45294	2.3
71.01377	2.8
73.02963	1.5
85.02970	1.6
89.02472	0.7
99.00948	0.7
101.02448	2.4
113.02480	1.4
134.34152	0.5
138.78503	0.4
161.04561	2.4
190.77235	0.5
204.18359	0.5
331.17505	2.6
366.92621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.7
55.95891	0.8
57.03426	1.3
57.79299	0.8
59.01380	77.0
60.01675	0.9
61.98808	3.2
65.00320	1.0
67.01861	1.2
71.01387	12.9
72.99307	1.6
73.02946	100.0
74.03281	2.7
75.00872	31.8
83.01375	1.9
83.17847	0.8
85.02945	10.1
87.00864	1.3
89.02438	10.6
93.03444	4.9
95.01377	1.1
96.78707	0.9
98.20598	2.2
99.00845	1.3
101.02455	9.2
107.01376	1.3
113.02447	9.3
117.01906	1.6
119.03493	3.3
119.05012	2.7
123.04525	1.4
123.58787	0.8
125.02454	1.5
125.09723	14.6
126.10001	1.4
129.01953	7.1
137.02393	1.4
143.03482	1.1
143.05002	3.0
147.03030	7.3
151.00340	3.0
155.03455	1.3
161.04506	4.4
163.04028	1.2
165.04047	51.6
166.04340	0.9
169.08673	7.3
173.03140	1.1
173.04555	14.1
174.04886	2.1
175.02449	1.4
179.05568	1.4
181.12306	3.5
183.10364	1.0
185.06021	1.5
188.62691	0.8
191.05527	1.4
199.13396	17.3
211.13469	2.0
221.09717	0.9
225.11275	3.4
229.04988	2.6
229.08693	2.4
237.09212	1.3
243.12369	73.9
244.12733	4.2
269.04532	8.6
270.04810	1.3
271.06061	2.0
274.78113	1.0
277.34952	0.9
331.17471	3.3
332.18158	0.9
375.68491	1.0
383.48343	0.9
391.15994	56.8
392.16321	7.1
397.44910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
61.98822	86.3
88.05463	32.7
112.68536	32.8
229.88809	32.0
243.26674	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.08147	0.5
60.00247	0.5
60.01722	1.2
61.98828	0.9
71.27422	0.9
80.96573	0.5
102.66692	0.5
106.92727	0.5
144.73764	0.5
235.10098	0.5
331.06458	0.5
339.08594	0.6
389.18845	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54511	1.2
55.22936	1.1
59.01378	100.0
69.14884	8.4
69.15300	2.6
70.39338	1.1
83.58584	1.0
113.77326	1.2
149.82797	1.0
154.86493	1.0
169.15126	1.1
292.87335	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.7
60.01709	0.6
61.98832	100.0
65.37676	0.4
97.14887	0.5
105.55541	0.5
115.44679	0.5
160.10988	0.4
167.10802	1.9
168.11125	2.7
259.71591	0.6
306.50705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1035
Annotation	Garcimangosone D
Peak:m/z	Relative Intensity
53.51855	0.3
54.55232	0.4
55.01886	0.4
57.03435	0.5
59.01380	49.1
60.01701	0.7
61.13522	0.4
63.02384	0.4
65.00325	5.8
69.04739	0.4
69.35476	3.4
71.01375	4.3
73.02933	2.2
75.00872	0.6
83.01383	3.4
85.02947	3.5
86.56308	0.4
87.00850	1.2
89.02446	2.1
89.49809	0.4
93.03459	0.9
95.01387	0.5
99.00914	0.6
101.02454	4.3
107.01384	7.5
108.67772	0.4
111.36770	0.4
113.02449	3.7
119.03527	0.5
119.05018	3.7
121.02936	2.5
124.20124	0.4
125.02434	1.4
135.98372	1.2
143.03603	0.6
143.05017	3.2
145.02956	9.6
147.39258	0.4
149.04510	0.6
151.00377	17.8
152.00713	1.1
157.06593	0.8
159.03098	0.5
161.04536	2.1
161.06085	3.5
163.04036	0.8
165.04092	0.5
173.04543	2.5
174.04790	0.5
185.06067	7.4
186.06590	0.4
187.04004	0.5
214.76897	0.4
217.14514	0.6
225.05583	1.3
229.05051	100.0
230.05408	8.3
237.09331	0.5
243.12259	1.2
253.05011	1.7
259.15509	0.5
269.04550	2.3
269.10272	0.4
271.06076	1.9
326.21176	0.4
331.17596	3.1
384.26297	0.4
389.10480	0.6
391.10413	6.5
391.15271	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76815	0.5
59.01382	100.0
59.52335	0.5
60.01725	1.6
61.98835	8.4
69.73618	1.2
69.74033	2.0
71.01376	1.4
73.96665	0.6
82.05458	0.5
85.02970	0.9
88.94619	0.6
88.98847	0.8
89.02467	1.2
91.05112	0.5
98.20629	1.0
101.02455	1.8
113.02478	1.9
119.03569	0.7
155.79146	0.5
161.04672	0.7
167.10780	44.6
168.11205	1.8
191.10794	0.6
209.11774	0.9
282.36188	0.5
297.86633	0.6
318.85797	0.6
329.16153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1819
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
50.32384	1.3
54.93626	1.4
55.01879	42.3
56.02229	1.6
57.03433	4.8
59.01383	12.3
60.58229	1.3
61.98832	70.3
64.95985	1.3
69.03482	1.6
71.01391	7.7
71.53633	1.7
72.99290	1.3
75.00881	7.8
85.02941	6.4
89.02435	3.9
95.22707	1.6
101.02418	4.1
111.08153	9.9
112.97820	1.4
115.11156	1.5
119.03548	1.5
129.01944	71.3
129.66592	1.5
137.08719	1.4
147.03001	43.9
150.24142	1.4
151.60930	1.3
153.97636	1.8
165.04007	2.8
165.12845	100.0
166.13167	7.8
181.12354	3.4
183.13832	1.4
191.10736	2.0
200.37994	1.6
209.11870	10.0
227.12889	11.2
241.14397	5.2
245.31190	1.4
319.72751	1.4
389.18341	18.9
390.18588	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	389.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03444	1.0
58.00594	0.8
59.01381	61.0
60.01689	0.6
61.98824	0.9
67.65848	0.4
69.51223	1.1
69.51640	2.4
71.01380	10.1
72.99305	0.5
73.02945	2.8
83.01376	1.4
85.02945	4.5
87.00858	0.5
89.02446	4.9
92.69217	0.5
95.01382	0.8
99.00900	1.6
101.02443	8.9
113.02452	4.9
119.03492	1.8
135.09816	0.7
154.19327	0.5
159.02963	0.5
161.04561	1.8
167.10797	0.6
168.03047	0.6
176.18353	0.5
179.05667	0.7
209.11935	0.8
227.13000	0.6
324.70978	0.6
329.15930	1.7
389.18173	100.0
390.18518	11.7
390.23566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.4
57.03444	2.2
59.01380	100.0
60.01711	1.8
69.03448	0.6
69.75684	0.6
71.01382	21.5
71.53790	0.6
72.01739	1.1
72.99323	1.3
73.01823	0.8
73.02949	21.1
75.00872	9.3
83.01414	1.2
83.05021	0.8
85.02954	5.8
87.00880	1.8
89.02444	21.8
93.03467	0.7
95.01395	1.3
97.02969	0.7
99.00916	0.9
101.02447	12.0
113.02457	7.8
119.03499	8.4
119.05014	1.0
122.25883	0.6
123.08166	0.8
125.02474	0.7
129.01952	3.7
131.03580	1.2
135.47282	0.7
138.06873	1.0
143.03561	2.0
147.03033	2.2
147.11903	1.2
149.04585	1.2
153.09239	2.3
154.09599	1.6
155.09781	0.7
161.04536	3.6
165.04045	25.3
166.04314	0.9
173.04587	1.3
179.05630	6.8
191.05673	0.7
193.05150	0.8
197.11827	9.8
197.13531	0.7
209.11850	1.9
225.14952	2.9
226.15421	2.5
227.13478	0.7
227.15633	2.8
241.10776	4.4
242.11218	0.7
257.10114	1.1
261.04025	1.4
280.08508	1.0
295.10910	1.6
313.11938	0.8
327.13965	0.8
329.16083	1.4
342.78647	0.7
350.44885	0.6
357.11148	0.8
389.14450	9.6
389.18423	8.3
390.14807	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1817
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
52.62575	0.2
57.03442	0.5
58.00602	0.4
59.01381	5.7
59.20232	0.2
64.30153	0.2
70.07630	1.0
71.01376	3.1
73.02959	0.7
83.57787	0.2
85.02961	1.4
89.02451	2.3
95.01404	0.3
98.19992	0.3
101.02419	1.5
111.08165	1.8
113.02457	3.2
119.03532	0.7
137.71481	0.2
161.04575	0.9
165.12848	23.0
166.13193	1.4
179.05650	0.4
179.14507	0.2
183.13896	82.0
184.14232	4.7
195.13927	0.3
197.15468	2.2
207.13844	1.3
209.11823	2.6
210.12219	0.3
225.14981	1.5
227.12880	100.0
228.13216	6.7
251.12868	2.3
252.13321	0.2
263.12875	0.3
269.13922	1.9
276.29401	0.2
293.13864	0.5
389.18173	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	389.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.9
59.01380	19.0
61.98814	1.4
69.03458	0.8
71.01388	8.8
71.53708	1.2
72.99317	0.8
73.02946	2.3
77.83705	0.6
83.01382	1.2
85.02962	4.6
87.00867	5.4
89.02433	5.7
93.03437	4.1
97.06574	1.0
99.00887	1.8
101.02434	5.6
111.04507	0.9
111.08147	2.0
113.02458	4.1
117.97305	0.8
119.03521	2.4
119.05013	1.6
121.02970	1.0
137.02451	0.9
143.03464	1.0
145.02959	1.4
145.38239	0.8
147.04501	0.8
161.04564	4.4
163.04021	2.5
165.12845	23.5
166.13214	1.4
170.78482	0.8
173.04573	3.6
174.03195	0.9
175.03984	5.2
176.04716	1.3
179.05603	6.4
180.04262	2.6
183.13895	100.0
184.14204	7.1
188.04874	1.2
190.06389	5.0
190.50760	0.7
191.07106	3.2
193.05080	3.0
194.05806	1.6
205.08644	4.2
207.06630	1.8
208.07390	1.6
209.11797	7.4
227.07091	2.7
227.12880	66.1
228.13176	5.4
242.05835	1.1
257.08176	1.6
271.19180	1.1
359.14999	18.3
360.15359	2.7
389.18149	47.8
389.25528	15.1
390.18365	5.2
390.25836	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	389.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
57.03449	82.9
58.03762	1.3
59.01382	13.8
65.74318	1.3
66.02329	1.1
69.24588	10.5
71.01379	1.6
73.02945	66.6
82.51633	1.0
83.01390	9.0
85.02909	3.4
87.00846	1.9
89.02433	1.9
101.02436	11.8
102.33733	1.1
103.00348	2.7
113.02447	1.7
115.00368	1.2
116.44760	1.3
119.03505	2.0
125.09696	8.7
127.00372	18.5
129.01822	1.3
138.03203	1.4
145.01439	11.2
163.02464	15.9
166.02707	1.6
169.08664	4.6
181.12305	2.6
199.13388	10.4
225.11234	2.4
241.10706	1.3
243.12358	100.0
244.12704	9.0
301.14334	1.7
389.14401	46.2
390.14771	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	389.1818
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
53.35764	0.4
53.86020	0.4
53.92020	0.4
54.94695	0.5
57.03440	1.4
58.00614	0.8
59.01380	15.4
69.24665	3.2
69.25076	1.2
71.01381	7.9
73.62142	0.4
83.01388	0.7
83.05025	0.7
85.02925	2.9
85.47573	0.5
87.00868	0.9
89.02438	5.9
91.51941	0.5
93.03484	0.7
95.01420	1.2
97.06613	0.7
101.02427	4.2
111.08153	1.7
113.02448	5.9
119.03506	2.0
139.58516	0.5
143.03578	0.5
159.03012	0.5
161.04549	1.5
165.12846	23.4
166.05118	0.6
166.13174	1.6
167.14430	0.4
173.04509	1.1
179.05653	0.7
183.13892	70.7
184.14264	4.1
197.11862	0.5
197.15422	2.0
207.13899	2.0
209.11769	2.9
225.15005	1.2
227.12875	100.0
228.13173	6.7
251.12871	5.6
252.13156	0.6
262.80133	0.5
269.13916	1.6
281.13889	0.8
299.14703	0.6
306.84268	0.5
329.15884	0.9
389.17728	3.4
389.25943	2.3
390.18152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.7
61.98830	100.0
64.33093	0.5
69.53535	2.2
69.53945	1.0
71.02371	0.5
79.96352	0.6
112.07289	0.5
113.53506	0.6
117.88081	0.5
125.02465	2.5
168.00603	0.7
169.01414	2.6
197.18883	0.6
292.60214	0.7
389.19690	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78799	2.1
57.03446	5.4
59.01382	95.4
69.66952	10.0
71.01382	19.7
73.02956	2.8
77.04015	2.3
81.99097	2.2
85.02958	7.4
89.02440	20.0
91.06316	1.9
93.03441	3.9
97.91146	1.9
99.00879	4.2
101.02428	10.8
104.98203	2.0
113.02454	7.9
119.03492	9.0
121.02977	3.7
122.06133	4.6
123.04540	2.6
123.08165	3.0
125.02399	2.9
143.05026	8.4
144.04550	12.5
147.03053	2.8
149.02461	6.1
160.04062	5.7
161.04556	6.4
162.05588	7.4
165.05614	3.2
167.07130	5.4
167.34877	2.4
172.04054	3.3
173.04570	3.7
176.07254	2.2
179.02222	5.5
183.08047	3.7
185.06116	14.2
185.07475	2.8
193.05107	2.9
193.24937	2.0
202.05110	7.3
203.05814	3.4
204.06688	2.1
206.04492	8.6
209.02034	67.2
209.11789	3.9
210.02322	2.4
210.07849	3.2
211.08778	2.6
220.06163	20.7
221.07019	2.6
224.09460	3.0
227.07132	100.0
227.11809	2.9
228.07460	6.2
236.09439	5.6
238.07483	4.3
239.08202	5.0
239.11946	3.6
241.10875	5.3
251.08171	3.3
251.11844	9.4
252.08772	5.0
253.05772	2.1
253.09875	6.5
265.06165	5.3
265.09793	2.9
266.06934	7.1
267.07648	3.9
267.11340	11.3
269.12897	3.5
279.07736	12.9
280.08557	36.7
281.09027	3.3
283.10779	3.7
295.10855	86.9
296.11227	10.6
301.14520	2.8
306.20642	2.4
313.11908	37.4
314.12305	3.6
327.13498	33.8
339.09915	17.0
345.14456	8.3
351.62314	2.4
357.10938	31.2
358.11179	3.4
371.12521	19.6
389.08313	32.6
389.13519	99.2
389.18173	23.3
390.08908	3.2
390.13745	16.5
390.18268	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92876	51.8
55.64970	48.2
59.01389	70.8
61.98805	100.0
71.53046	78.1
71.99623	51.2
94.37714	46.7
104.31508	44.3
124.54473	57.7
141.68546	55.2
241.89386	53.1
340.71652	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34964	44.7
59.01377	92.0
61.98828	100.0
71.53215	42.6
92.91385	43.5
107.07227	45.0
134.17137	45.9
172.97147	52.5
192.70490	48.0
349.27368	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96044	0.4
59.01380	1.6
61.98831	100.0
70.37783	1.5
71.01385	0.6
81.56955	0.4
85.02955	1.7
87.00887	0.5
88.98824	0.4
96.96014	0.6
107.05006	0.4
116.05388	0.4
119.04965	0.5
121.02967	0.6
126.19079	0.3
153.05675	0.5
163.04042	0.5
165.04472	0.4
165.31451	0.4
179.03561	0.4
191.01979	0.7
209.03093	0.5
303.67422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.1
59.01382	10.9
60.01715	1.6
61.98831	100.0
69.70981	2.1
71.01389	2.8
72.99348	0.4
73.02965	0.7
74.02502	0.4
78.29104	0.4
78.95889	0.4
79.13276	0.3
83.01420	0.5
85.02956	2.0
87.00883	0.7
89.02436	2.0
89.12052	0.4
90.18367	0.4
93.03471	0.6
96.96026	1.7
96.96955	0.7
99.04543	1.3
100.52987	0.4
101.02457	2.2
102.02777	0.4
113.02454	1.5
119.03479	0.9
120.32644	0.4
139.52608	0.4
142.61476	0.4
161.04562	0.7
163.11276	1.8
164.11623	2.6
165.03828	0.4
165.05499	0.4
166.05844	0.5
167.03502	0.4
169.09869	0.4
173.04552	0.9
191.05652	1.1
237.09808	1.4
238.10141	0.9
243.12384	1.0
275.85809	0.5
296.06967	0.4
358.52966	0.4
388.16962	15.0
389.13800	0.6
389.17725	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2026
Annotation	Ilicifolinoside B
Peak:m/z	Relative Intensity
57.03448	2.9
59.01382	9.8
60.99309	5.8
67.01891	12.8
68.99526	0.6
69.03455	4.0
71.01382	7.0
71.53674	1.1
73.02942	1.9
81.03461	2.5
82.03855	0.6
83.01385	1.6
83.05035	2.0
85.02970	3.9
85.49098	0.5
87.00874	20.7
87.70528	0.6
89.02456	1.5
89.52928	0.7
93.03460	95.5
94.03799	3.8
96.69457	0.6
97.02947	0.8
99.00896	2.3
99.04527	1.7
101.02434	3.3
103.39478	0.6
107.20033	0.6
109.02991	3.0
111.04528	12.7
112.04848	0.7
112.98568	1.6
113.02442	3.5
115.04002	0.8
119.03492	0.6
121.02967	0.9
123.04541	1.2
125.02438	1.7
129.01962	3.2
137.02441	3.2
138.02765	1.3
139.02864	0.8
143.03484	1.7
155.03535	3.0
165.01884	1.7
165.09204	1.3
166.02260	1.3
167.02365	0.9
173.04547	42.5
174.04880	1.8
183.04552	0.7
183.13908	2.5
187.04042	0.8
189.51430	0.7
191.05620	17.9
192.05959	0.8
194.58134	0.6
195.13878	2.5
203.07083	1.7
213.14941	9.3
213.64200	0.8
214.15269	0.9
225.05579	8.8
226.05846	0.9
245.08153	1.5
289.07162	7.7
343.11627	0.8
387.20221	100.0
388.20547	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	387.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19253	0.3
57.03434	1.2
57.59322	0.3
59.01375	2.8
63.83794	0.3
71.01384	1.7
71.54160	0.4
73.02944	0.5
81.03456	0.7
83.01362	0.5
83.05019	1.2
85.02943	0.5
89.02453	0.3
93.03452	2.1
95.05026	0.5
95.67383	0.3
97.02952	1.3
100.03913	0.3
101.02435	0.3
103.00382	2.7
109.02953	3.6
111.04514	2.5
123.04530	2.1
125.02452	2.6
137.02458	1.6
139.04051	0.4
149.02412	0.9
150.03122	0.4
151.00450	0.3
151.04007	1.3
155.03487	2.9
159.04355	0.3
160.05315	0.4
161.06133	0.8
164.01205	0.5
165.01851	0.6
167.03532	0.6
173.04523	5.2
179.00021	0.4
179.03473	1.2
183.13895	14.1
184.14293	0.7
187.04051	0.6
191.05606	0.9
195.13896	11.9
196.14232	0.6
202.06078	0.3
203.07175	2.1
205.05008	1.1
211.13391	0.4
213.14951	100.0
214.15279	6.4
221.08156	0.5
245.08138	2.1
289.07162	9.9
290.07474	0.9
343.11850	2.1
383.35010	0.3
387.14462	5.9
387.20212	11.5
388.15039	0.8
388.20605	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
56.46595	0.2
57.03449	5.7
58.00582	1.4
59.01379	30.7
60.01726	0.4
61.98831	1.2
64.07901	0.2
66.71452	0.2
68.99803	0.2
69.03469	0.4
69.25065	1.7
69.25470	0.5
71.01380	49.0
71.05018	3.1
72.01722	0.6
72.99304	2.4
73.02942	11.4
75.00874	0.5
81.03467	1.5
83.01385	4.3
84.02200	0.4
85.02950	16.8
86.03288	0.5
87.00880	2.0
89.02444	20.2
90.02815	0.3
93.03478	1.0
95.01390	3.6
95.05032	2.2
97.02943	3.9
98.20654	0.4
99.00879	5.2
99.04536	0.3
99.08166	0.8
101.02441	24.9
102.02798	0.7
102.98606	0.7
107.05042	0.3
109.06586	2.2
111.00882	0.5
111.04521	1.3
113.02448	21.4
113.06092	0.6
113.09714	0.3
114.02794	0.5
119.03502	7.5
122.03749	0.6
123.08174	1.3
125.02444	1.0
125.06100	0.7
129.01929	0.6
131.03497	0.9
133.30940	0.2
135.08189	0.8
136.05296	0.8
137.02457	0.2
137.06097	0.8
137.09721	2.1
138.03250	1.0
138.06868	26.7
139.07204	1.1
143.03499	2.5
149.04509	0.5
149.09727	0.5
150.06851	0.6
151.07635	0.8
152.08418	0.5
153.01956	1.2
153.05763	1.4
153.09210	66.5
154.09561	3.8
155.10724	0.4
159.02982	4.6
161.04552	22.9
162.04904	0.9
162.52324	0.2
163.11299	0.9
165.12830	1.2
167.07193	0.2
168.04265	0.7
171.71869	0.2
173.04474	0.7
176.04767	0.8
179.05589	3.2
183.06567	0.7
189.12828	0.2
190.54280	0.2
191.05598	0.4
191.07059	1.2
192.11566	0.6
194.00407	0.6
205.03572	0.5
207.13878	5.7
208.14246	0.6
209.02766	0.3
225.05968	2.1
225.14949	100.0
226.15289	8.8
241.10806	0.4
263.15564	0.2
380.44867	0.2
387.12415	0.5
387.20389	5.7
388.20490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45489	0.9
56.83280	0.9
57.03449	100.0
57.49328	0.9
57.57499	0.8
58.03783	1.5
59.01374	2.3
61.98827	4.8
71.01369	1.0
73.02954	6.6
83.01386	14.1
98.20743	1.9
101.02436	12.5
111.08156	1.5
127.00371	27.7
128.00688	1.0
145.01430	16.8
149.04585	1.2
165.12846	12.0
178.99799	1.0
193.15947	6.8
209.11864	0.9
211.17043	15.7
212.17320	1.2
227.12694	1.1
255.16016	13.6
256.16455	1.3
289.18155	1.7
367.84753	1.0
387.16354	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	387.2023
Annotation	Ascleposide E
Peak:m/z	Relative Intensity
55.01878	1.8
57.03450	4.6
58.00597	2.2
59.01381	53.4
59.82667	0.3
60.01728	0.6
61.98829	1.2
64.86719	0.3
65.26924	0.2
69.03463	0.5
71.01383	40.9
72.01724	0.6
72.99306	3.6
73.02946	5.4
75.00877	0.9
81.03473	0.4
83.01393	4.5
85.02951	14.7
86.03255	0.2
87.00877	2.4
89.02446	29.6
90.02794	0.4
93.03474	0.8
95.01410	2.8
96.96008	0.4
97.02956	0.8
98.20702	0.5
99.00882	3.1
99.04512	0.4
101.02444	30.8
102.02785	0.8
102.98602	0.4
103.00378	0.4
109.02994	0.4
109.06551	0.3
111.00919	0.6
113.02451	15.8
114.02811	0.4
117.05566	0.3
118.98106	0.3
119.03507	13.0
119.04961	0.8
120.03873	0.5
123.04554	0.7
125.02447	1.7
127.00412	0.3
131.03494	1.2
137.02455	0.8
137.09723	1.8
141.01955	0.3
143.03548	1.5
145.01436	0.4
145.02928	0.3
149.04529	0.8
151.11285	0.4
152.08441	0.8
153.09090	0.3
153.12834	0.4
159.03017	1.4
161.04549	6.1
163.03979	0.4
163.11264	0.8
165.04013	0.5
165.09230	0.9
167.03488	3.1
173.04491	1.4
179.05603	2.2
179.14377	0.4
180.07870	0.3
181.12427	0.6
189.12798	0.4
191.05630	0.4
195.13873	1.2
197.11636	0.3
197.15421	1.6
207.13901	1.9
225.07680	1.9
225.14955	14.9
226.15219	1.5
241.10812	0.6
251.26184	0.3
252.21025	0.3
351.07458	0.3
387.20245	100.0
388.20566	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03475	0.6
58.00586	1.3
59.01382	66.1
59.68458	0.6
60.01689	0.8
70.22329	0.5
70.83254	1.6
71.01385	13.5
72.99326	1.0
73.02972	1.0
83.01408	0.7
85.02960	2.5
85.56461	0.5
87.00892	1.1
89.02448	13.8
95.01382	0.8
101.02441	7.9
109.06550	0.6
110.45535	0.6
111.00869	1.3
112.73358	0.6
113.02453	5.6
119.03511	4.5
131.03487	0.7
135.45110	0.6
163.11282	40.3
164.11592	2.7
207.10307	0.7
387.16599	100.0
388.16980	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
51.51604	0.8
57.03430	2.2
58.00588	1.3
59.01380	98.4
60.01720	1.7
61.98819	1.5
63.50893	0.7
67.01917	0.9
69.24852	7.3
71.01380	18.3
72.99302	1.4
73.02934	2.1
83.01385	1.4
85.02944	7.1
87.00838	0.9
89.02447	21.5
89.74922	0.8
93.03459	2.0
94.70957	1.0
95.01389	1.4
95.04963	0.8
101.02450	13.3
113.02441	7.7
119.03513	7.7
119.05008	1.9
125.02449	2.7
145.96870	0.7
148.12042	0.7
153.01920	1.7
161.04536	1.4
163.04126	0.9
163.11278	16.1
164.11548	1.0
168.04276	2.1
173.04538	2.3
176.49895	0.7
179.05684	1.9
207.10262	3.8
208.38049	0.8
213.11356	1.1
225.07689	5.9
225.11426	1.3
351.16483	3.9
387.16595	100.0
388.17023	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	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
58.00584	0.8
59.01381	62.3
60.01712	0.6
69.57983	2.8
71.01382	13.3
72.99302	0.7
73.02931	0.7
83.01348	1.1
85.02957	2.5
85.73376	0.4
87.00875	0.7
89.02444	13.5
95.01392	0.8
98.19923	0.8
101.02444	8.6
108.78934	0.4
111.05266	0.4
113.02459	4.9
119.03506	5.1
125.37116	0.5
148.79228	0.5
151.46683	0.5
161.21173	0.5
163.11266	3.6
168.46960	0.5
173.04515	0.6
207.10272	12.0
225.11562	0.6
387.16608	100.0
388.16891	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56387	0.5
57.03461	3.1
59.01379	3.0
59.01602	0.6
61.98811	0.6
67.01878	0.6
67.92967	0.5
69.03441	1.1
69.45612	4.4
71.01344	1.0
73.02944	0.9
77.15002	0.5
81.03458	3.6
83.01376	5.2
85.02958	1.1
93.03474	2.6
95.01385	1.4
95.05027	5.4
97.02944	10.7
101.02417	1.0
103.00372	0.7
107.01398	0.7
107.05003	0.8
108.02164	0.8
109.02956	31.5
110.03260	1.8
111.66776	0.6
121.02950	4.6
122.03697	1.6
123.03629	1.1
123.04526	21.0
123.08075	1.2
124.04861	0.9
125.02444	21.2
133.06398	0.6
135.04544	2.7
135.08156	0.8
137.02437	11.5
138.03169	0.7
139.04002	5.7
141.09244	0.6
145.02939	2.2
146.03711	2.5
147.04471	0.8
149.02437	7.7
150.03152	1.5
151.00307	1.0
151.03998	12.5
155.42245	0.6
157.06570	0.8
159.04536	4.1
160.05251	2.5
161.02411	1.6
161.06084	8.9
162.03229	2.8
163.03970	2.1
163.11203	1.1
164.01141	4.1
165.01901	5.3
166.02332	0.8
167.03474	2.2
173.06050	1.5
175.03989	3.2
175.07608	2.3
177.05565	1.8
178.99886	1.2
179.03503	7.7
179.07100	2.0
185.05995	1.2
187.04005	6.9
188.04797	5.7
189.05345	0.6
191.07101	2.1
193.08615	1.0
199.07613	1.1
201.05597	1.1
202.06342	2.0
203.03413	1.7
203.07126	21.9
204.07401	1.2
205.05063	13.5
206.05426	1.0
212.04765	1.0
217.05034	0.6
217.08633	0.8
219.06656	1.3
221.08179	3.7
222.08536	0.6
225.11331	1.2
227.07091	4.0
229.05023	0.7
230.05710	1.1
231.02975	1.5
245.08156	23.8
246.08546	1.9
247.06067	2.3
257.11816	0.9
271.06088	1.3
275.12952	0.6
289.07178	100.0
290.07495	10.3
299.12915	3.7
343.11835	16.4
343.15826	1.4
344.12292	2.3
369.13507	1.6
387.14508	47.2
387.23581	8.3
388.14813	6.1
388.24246	0.9
390.97974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.6
61.98829	100.0
76.72754	2.5
104.09528	2.5
302.96140	2.6
320.59882	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	386.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31511	0.3
55.01884	0.3
58.00585	0.5
58.98816	0.3
59.01381	41.5
61.39859	0.3
61.98829	100.0
62.88873	0.3
68.16956	0.3
69.03468	0.3
69.53706	2.0
71.01380	9.0
72.99318	0.6
73.02972	0.8
77.28123	0.3
83.01390	0.6
85.02945	3.1
87.00904	0.6
89.02439	7.9
95.01388	0.5
99.00913	0.5
101.02443	5.7
108.02178	0.4
111.00880	5.8
113.02454	6.5
119.03495	2.9
143.03534	0.4
161.04532	2.6
163.11279	11.3
205.05037	0.6
206.05299	0.8
207.10240	5.0
224.06538	0.4
268.01730	0.3
272.08459	0.4
299.44284	0.4
342.22150	0.4
378.74478	0.3
386.11734	0.4
387.16589	69.5
407.35675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.2
57.61470	0.6
59.01105	0.7
59.01374	4.1
66.72987	0.6
69.03455	1.1
69.40714	2.7
69.41140	1.9
71.01376	1.7
73.02947	2.9
75.00836	0.7
76.15495	0.6
76.42767	0.7
79.78216	0.5
81.03014	0.6
81.03455	4.1
83.01399	3.9
83.04985	0.8
85.02921	0.9
87.91262	0.6
89.02385	0.8
93.03456	3.6
95.01366	0.8
95.05022	4.6
96.96010	1.1
97.02950	8.9
97.06590	0.8
101.02579	0.6
105.72117	0.6
107.05026	0.7
108.02204	1.3
109.02950	29.1
110.03291	1.2
111.04482	0.8
116.75421	0.5
121.02955	4.5
122.03728	1.5
123.04531	21.9
123.08112	0.6
124.04819	0.9
125.02451	19.8
125.09710	0.8
135.04518	2.7
137.02434	10.2
137.09732	1.4
138.03207	1.4
139.04034	5.8
145.02910	2.0
146.03722	2.2
147.04524	0.9
149.02451	6.6
149.09705	0.7
150.03233	1.1
151.04010	10.8
152.04347	0.7
153.69168	0.7
158.03784	0.7
159.04523	4.3
160.05220	2.4
161.02435	1.4
161.06044	7.6
162.03201	2.4
163.03989	2.5
163.11316	0.9
164.01137	2.3
165.01903	4.3
167.03458	1.5
171.10207	1.0
173.04553	1.6
173.05946	1.2
174.03165	1.0
175.03983	2.5
175.07703	3.3
177.05540	0.8
179.03484	8.4
179.07156	2.7
181.12320	3.4
186.06834	0.7
187.03969	6.3
188.04797	5.4
191.07124	1.4
193.08694	0.7
199.07625	0.9
201.05537	0.9
201.09238	0.6
202.06361	2.3
203.05241	0.8
203.07137	17.0
204.07442	1.1
205.05042	13.2
206.05423	1.3
212.04739	1.5
213.15001	1.5
217.08716	1.0
219.06705	1.1
221.08192	4.6
225.11374	3.6
227.07152	2.8
230.05882	0.9
231.02934	1.3
233.08075	1.4
245.08171	23.1
245.10699	1.1
246.08434	1.6
247.06073	2.0
255.16032	2.1
257.11783	0.8
271.06055	1.3
281.17636	1.1
289.07172	100.0
290.07498	9.1
299.12857	2.6
312.64395	0.6
343.11871	14.9
343.15582	1.0
344.12024	1.5
369.13129	1.1
387.14493	47.0
387.23849	22.2
388.14938	5.9
388.24197	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69487	0.3
61.98832	100.0
63.89753	0.3
71.52766	0.5
75.44529	0.3
77.66098	0.3
85.02981	0.3
117.03863	0.3
130.08748	3.5
131.26405	0.4
137.02481	0.3
145.18770	0.3
161.29388	0.3
162.90735	0.3
184.31485	0.3
322.20230	2.2
323.20380	0.4
348.11310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37812	1.1
52.49424	0.9
55.01865	4.1
56.51146	0.9
57.03445	5.7
59.01382	14.0
61.10857	0.9
61.61626	0.7
63.30652	0.9
65.03963	1.7
66.34962	1.0
67.01880	0.8
69.03432	3.8
71.01383	65.3
72.15418	0.9
72.99291	1.4
73.02944	20.9
75.00872	1.7
81.03453	4.3
83.01391	18.6
83.05030	1.1
85.02950	32.2
87.00878	2.2
89.02457	6.0
93.03457	4.8
95.01379	5.6
97.02959	4.0
98.20752	2.1
99.00890	7.5
101.02444	37.9
107.05030	4.1
108.02218	1.7
109.02942	9.8
111.00923	1.1
113.02454	26.8
114.02751	1.0
119.03500	2.6
121.02978	5.7
122.03752	9.8
123.04557	1.5
124.01647	2.7
125.01535	1.2
125.02451	21.6
129.01913	1.8
133.02892	1.1
133.97238	0.9
135.04555	1.4
137.02451	100.0
137.09700	1.3
138.03075	3.4
139.07640	2.3
143.03525	2.5
149.02452	7.1
150.03230	18.6
151.04031	6.3
154.02701	3.2
157.06535	1.2
159.02979	6.5
159.04495	3.6
161.02403	3.9
161.04553	32.4
161.05904	2.0
162.04768	1.2
164.01173	7.6
165.01932	58.4
166.02542	2.7
167.03488	2.8
172.05283	1.3
173.05978	1.8
175.04022	3.1
177.01936	1.2
177.05531	1.4
179.03500	5.6
179.10782	16.7
179.14345	7.4
183.04427	1.2
197.06038	1.5
197.19589	1.0
199.04015	1.2
201.05563	6.4
201.09189	2.8
203.03450	1.0
215.07033	1.2
217.04793	1.1
219.06590	1.3
223.09766	53.0
223.13354	2.9
224.10056	4.2
225.05569	2.6
226.06429	1.7
229.08684	1.1
235.17334	0.9
241.05125	2.2
243.06406	1.4
255.88821	1.0
259.06177	4.5
269.04492	4.7
270.05255	2.0
286.19788	0.9
287.05548	12.1
288.06360	16.1
300.86319	1.1
367.11731	3.5
385.12869	24.2
385.18585	15.1
386.13159	4.0
386.18817	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	385.1863
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.41677	0.6
55.01867	2.4
57.03445	8.4
58.00602	3.1
59.01379	63.2
60.01704	1.1
61.98819	3.0
68.99837	0.7
69.03455	10.3
71.01383	77.6
71.05007	0.6
72.01716	1.3
72.99303	4.8
73.02947	13.0
74.42756	0.5
75.00874	1.9
81.03478	0.8
81.10054	0.5
83.01385	7.9
83.05025	1.4
84.02161	1.6
85.02950	50.1
86.03284	1.1
87.00882	4.6
89.02446	39.0
90.02764	0.8
93.03459	2.1
95.01389	6.3
95.05053	2.7
97.02955	9.4
97.06562	0.8
99.00882	8.3
99.04542	1.3
100.01149	0.5
101.02443	36.6
102.02747	0.9
105.07080	1.4
107.05003	0.9
108.05815	2.6
109.03001	1.3
109.06603	1.5
111.00890	1.5
111.04512	1.6
111.08152	0.9
113.02449	30.2
113.06076	3.6
114.02792	1.2
115.00395	0.9
119.03500	15.4
119.05029	1.4
121.06596	1.1
122.03732	2.1
123.08182	5.2
125.02465	5.5
125.06071	2.4
125.09740	5.1
129.01947	2.4
131.03494	1.6
135.04503	1.8
135.08134	0.6
136.05299	3.4
137.02492	1.0
137.06052	2.2
138.06871	21.1
139.07663	10.3
141.01930	1.0
143.03535	4.3
147.02975	3.0
147.08148	1.2
149.04512	0.9
149.06053	1.0
150.06949	0.7
151.03970	1.0
151.07651	24.2
152.04805	2.3
152.08430	47.7
153.09216	100.0
154.09581	5.8
159.03004	5.0
159.74518	0.6
161.02446	1.2
161.04558	22.9
161.05898	1.4
161.09766	1.1
162.04822	0.7
163.03986	1.3
163.11270	3.7
163.95493	0.5
165.09161	1.6
167.03452	1.4
167.07100	2.2
173.00960	0.9
173.04561	4.0
174.01717	1.9
179.03503	1.1
179.05603	5.1
179.10789	1.0
185.00926	6.9
187.11285	1.1
189.09210	1.3
190.09938	1.7
191.01990	15.2
191.05644	1.6
205.12332	32.8
206.12680	2.8
209.03064	1.5
211.09668	1.0
223.04544	14.1
223.13397	19.0
224.13792	1.2
239.07224	0.7
239.09317	2.3
272.02563	0.7
350.39938	0.7
385.11093	5.5
385.18817	13.1
386.19287	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
59.01379	100.0
60.01720	1.2
69.03460	0.5
69.62180	2.0
69.62605	1.4
71.01385	0.9
73.02958	0.6
79.63332	0.5
81.51132	0.4
83.01424	0.4
84.40338	0.4
101.02441	0.6
107.17762	0.5
133.77594	0.5
137.02458	0.9
149.81111	0.5
165.01971	0.7
201.09215	0.7
223.09923	0.5
223.13492	0.8
234.81213	0.6
236.49812	0.5
239.12968	1.0
339.08810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
59.01379	100.0
60.01720	1.2
69.03460	0.5
69.62180	2.0
69.62605	1.4
71.01385	0.9
73.02958	0.6
79.63332	0.5
81.51132	0.4
83.01424	0.4
84.40338	0.4
101.02441	0.6
107.17762	0.5
133.77594	0.5
137.02458	0.9
149.81111	0.5
165.01971	0.7
201.09215	0.7
223.09923	0.5
223.13492	0.8
234.81213	0.6
236.49812	0.5
239.12968	1.0
339.08810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11231	0.3
57.03456	1.5
58.33356	0.3
59.01368	1.1
64.22582	0.3
65.00319	0.6
65.03944	0.4
67.01881	0.3
69.03431	0.6
71.01395	0.3
81.03454	6.1
83.01389	3.7
89.31604	0.3
93.03467	0.9
96.96016	0.3
97.02943	0.7
97.06591	0.3
101.02431	0.3
107.01398	1.0
107.05035	0.8
108.02213	0.7
109.02942	2.1
113.09678	0.5
115.07635	0.6
118.38352	0.3
121.02941	1.4
121.06525	0.3
122.03740	3.2
123.04545	0.3
124.01666	0.6
125.02451	12.6
126.02841	0.5
135.04544	0.3
137.02448	21.9
137.09752	2.9
138.03107	1.0
139.04044	0.4
139.07657	4.1
140.07928	0.3
146.98260	0.2
149.02475	1.7
149.03458	0.3
150.03220	4.1
151.00337	1.6
151.04030	1.6
154.02705	0.3
158.92747	0.3
159.04469	0.6
161.02443	1.2
164.01160	1.8
165.01930	12.7
166.02588	0.5
167.03456	1.3
167.06935	0.3
173.05992	0.4
173.13530	0.3
175.03999	0.7
177.01982	0.3
177.05553	0.4
179.03448	1.4
179.10774	27.0
180.11098	1.4
196.87433	0.3
197.82010	0.3
201.05562	1.2
201.09204	0.5
202.06017	0.3
203.03513	0.3
205.08727	1.0
217.05052	0.3
223.09750	100.0
224.10071	7.5
225.05515	0.5
235.12837	0.3
241.05180	0.5
243.06653	0.4
244.07561	0.4
247.09767	0.4
254.09966	0.3
259.06085	1.0
260.06485	0.3
265.10809	1.0
269.04599	0.7
270.05292	0.4
287.05545	3.1
287.37268	0.3
288.06354	3.8
367.11749	0.6
372.69846	0.3
385.12769	5.0
386.13177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	14.5
59.01378	39.6
69.03442	3.3
69.45217	18.7
69.45621	6.2
71.01372	4.9
73.02931	3.4
76.12504	2.4
81.03461	13.3
83.01398	10.8
85.02947	4.8
93.03442	5.9
95.05041	4.2
97.02946	7.6
97.08399	2.8
98.20618	6.2
99.04499	5.3
101.02428	4.2
107.05025	3.3
109.02951	9.9
113.02463	3.7
121.02940	5.2
122.03738	5.4
123.04527	6.7
124.01675	3.1
125.02447	79.4
126.02814	3.2
135.04535	3.5
137.02451	100.0
139.04024	3.4
146.02895	2.4
146.03780	23.6
147.04456	3.0
147.48256	2.8
149.06064	6.4
151.04027	4.4
152.37991	2.9
159.04488	6.3
161.04529	3.4
164.01163	33.7
165.01941	80.1
166.02327	4.7
167.03505	40.6
172.05258	4.2
173.06046	13.0
174.03189	8.3
174.06770	8.8
175.04008	4.2
175.07628	31.6
176.04773	10.1
177.01935	14.1
179.03484	27.0
187.03917	7.0
187.07603	8.5
188.04750	4.3
189.09212	4.7
190.02759	5.0
199.07513	3.9
200.04794	6.8
201.05597	7.0
201.09212	10.1
202.06273	4.4
203.07085	16.7
204.04318	3.8
205.08679	9.6
211.13425	4.2
217.08676	21.7
223.13399	9.1
225.05588	5.9
226.06436	4.2
227.07123	3.3
229.08659	38.8
239.07103	4.9
239.10768	6.3
241.08716	6.8
247.09714	10.5
251.06995	2.9
253.14384	3.7
255.10184	6.9
257.08334	2.7
257.11761	5.7
265.08670	3.4
267.12250	4.2
281.11761	10.1
283.09610	6.8
288.06583	3.9
294.09137	3.8
297.11295	8.4
299.12851	10.3
300.61502	2.9
323.12949	26.8
324.13193	6.5
325.10413	3.7
339.38641	3.1
341.13968	6.8
349.10748	5.3
367.11829	76.4
368.12344	10.8
385.12805	45.3
392.49109	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	385.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	13.4
59.01379	11.6
69.03442	5.8
69.61671	14.2
71.01363	4.5
81.03458	10.5
83.01366	12.9
89.02456	4.6
95.05048	7.7
97.02937	8.6
99.04536	4.7
107.05020	3.4
109.02956	7.8
121.02952	8.6
122.03728	6.5
123.04496	3.9
124.01581	3.2
125.02456	80.0
126.02846	2.8
135.04491	3.1
137.02452	100.0
138.03108	3.3
139.03960	4.8
146.03741	21.2
151.04010	6.4
159.04564	7.4
160.56104	2.9
164.01144	32.1
165.01920	84.7
166.02301	3.6
166.17705	2.8
167.03499	36.5
172.05272	5.8
173.06064	15.5
174.03250	9.6
174.06842	5.6
175.04012	3.2
175.07660	45.6
176.04759	12.7
176.08037	3.5
177.01880	12.8
179.03477	22.5
185.06081	3.0
187.04016	5.5
187.07677	9.5
188.04822	3.7
189.09241	4.2
190.02727	5.5
192.98721	2.9
196.97897	2.9
199.07632	3.2
200.04802	9.3
201.05580	3.5
201.09210	4.7
202.06438	3.3
203.07159	16.4
205.08661	9.0
211.04007	3.4
211.13448	4.4
216.07767	3.5
217.08725	22.1
219.92505	3.1
225.05560	3.2
225.62778	2.7
229.08708	41.5
237.05481	3.9
239.10733	5.6
241.08720	4.7
247.09802	12.3
255.10353	6.8
268.07416	4.7
281.11850	9.8
283.09778	9.2
288.06311	3.2
294.08972	3.6
297.11331	9.1
299.12891	9.2
301.10779	3.4
323.12881	32.7
324.13394	3.3
341.13812	4.4
349.10715	4.3
367.11884	78.5
368.12231	8.1
385.12915	40.8
386.13214	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	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86470	0.9
59.01376	6.0
59.54910	1.0
66.82611	0.9
68.91772	1.0
71.01379	3.0
72.99303	1.7
73.02937	4.1
75.00858	2.5
83.01382	3.3
85.02953	9.6
86.60208	1.0
87.00881	3.9
101.02460	2.0
115.00374	6.8
155.17841	0.9
163.03998	1.3
163.61024	1.1
174.01683	58.5
175.02458	6.6
191.02002	2.7
191.49583	1.0
194.05771	1.0
209.02888	1.2
209.08212	2.5
239.09239	2.3
267.08740	3.3
295.08182	8.4
322.12256	1.0
325.09271	11.0
385.11371	100.0
386.11713	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	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
57.03437	5.3
59.01384	20.9
61.98829	56.5
69.03452	3.8
70.01586	2.3
70.01935	6.7
71.01383	52.8
72.27213	1.5
72.99306	1.6
73.02943	14.5
83.01373	7.0
84.02168	1.6
85.02953	30.0
87.00889	4.6
89.02419	5.5
93.03451	2.5
95.01376	6.3
97.02975	1.6
99.00903	9.7
101.02447	24.1
108.02177	100.0
109.02984	42.9
113.02444	30.5
115.04015	1.6
119.03475	2.0
120.82893	1.6
121.02928	6.8
123.00901	2.0
125.02412	1.9
133.02899	1.6
135.04514	3.7
143.03474	3.9
149.02440	22.7
151.03981	8.0
152.01096	2.5
157.28748	1.8
159.02946	5.8
161.04549	71.5
162.04904	3.4
163.03978	6.5
163.07622	4.6
164.04781	19.4
167.03352	1.9
173.04506	2.1
175.00276	2.3
179.07114	5.6
180.07732	1.7
181.08876	1.7
190.02667	3.3
191.01904	4.7
193.01433	8.2
205.05087	8.4
208.03790	21.0
223.06139	56.0
224.06390	3.5
271.08221	32.1
272.08423	2.9
300.02701	6.2
307.07990	2.1
316.35098	1.6
385.09906	8.0
385.16104	4.2
385.59723	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	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02435	0.8
55.01871	2.7
57.03450	13.2
59.01376	8.2
62.51498	0.7
65.62530	0.7
70.32903	0.8
70.33265	2.9
71.01385	4.3
72.99310	2.0
75.00880	1.7
83.01408	2.6
84.02168	2.4
85.02950	100.0
86.03287	2.8
87.00882	2.1
88.98805	1.3
89.02442	1.0
93.03470	0.9
98.19936	0.7
98.56854	0.7
101.02429	1.6
103.00365	2.5
111.00871	4.5
115.00410	0.9
119.05005	2.4
129.01950	9.0
133.01443	0.7
134.03740	3.0
135.04553	1.0
147.02997	13.8
163.04024	2.8
173.00905	2.5
173.04457	1.0
174.01675	2.3
191.01976	32.8
192.02252	1.1
193.05031	2.0
209.03021	15.4
223.04510	3.7
385.11588	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	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.6
57.87984	0.7
58.28816	0.7
59.01381	5.4
59.52731	0.7
64.12092	0.6
66.99641	0.6
69.71589	1.3
69.71985	2.0
71.01362	1.5
72.99280	0.9
85.02950	21.5
87.00928	0.6
93.03443	0.7
98.19893	1.0
119.05025	88.5
120.05394	4.0
129.01953	1.7
147.02995	2.9
163.04007	100.0
164.04338	5.9
174.01703	1.3
191.01978	7.1
205.05132	0.8
209.03008	3.0
223.04434	1.1
235.13576	0.6
267.89594	0.7
311.44147	0.6
317.03574	0.7
325.09177	1.0
341.06467	1.1
385.11237	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	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.3
57.03447	10.7
58.00583	1.2
59.01100	1.4
59.01380	12.6
66.42052	1.0
68.99794	0.9
69.18044	9.0
71.01385	12.2
72.99308	3.5
73.02946	2.4
75.00862	5.7
83.01369	5.7
84.02177	3.0
85.02950	100.0
86.03292	2.7
87.00874	4.0
89.02451	5.9
96.95994	2.7
99.00874	1.0
101.02431	3.1
103.00384	1.4
108.02142	1.0
111.00877	6.5
113.02439	1.2
115.00394	3.0
129.01950	8.1
133.01457	3.8
134.03740	5.7
147.02985	12.1
149.02435	3.0
164.04816	3.5
165.03931	0.9
173.00903	2.5
174.01688	20.0
175.02483	3.4
191.01971	46.0
192.02316	2.0
193.04892	1.0
208.03732	1.0
209.03015	65.0
210.03305	2.2
223.04343	2.1
223.06354	4.7
243.47227	1.0
267.08884	1.0
271.66696	1.0
295.08252	3.5
325.09344	3.0
357.82156	1.1
385.11392	39.7
385.16266	2.0
386.11420	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	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
57.03450	12.2
59.01379	8.1
68.99807	1.3
69.85196	3.0
70.01292	0.6
70.89252	0.7
71.01383	5.6
72.99305	2.6
73.02960	1.1
75.00883	2.3
75.48231	0.9
83.01395	4.7
84.02179	3.1
85.02951	100.0
86.03294	2.0
86.46114	0.7
87.00891	1.5
88.98839	1.5
89.02440	1.7
96.95985	1.5
97.97040	0.7
101.02436	1.1
103.00387	1.9
111.00861	4.8
113.95770	0.8
115.00365	1.8
117.03487	0.7
129.01952	8.0
133.01437	2.4
134.03745	5.7
135.04367	0.6
144.53447	0.6
147.03003	11.7
149.02483	1.3
163.04033	1.0
173.00948	2.3
173.04623	1.4
174.01636	3.1
179.03514	0.8
191.01979	33.4
192.02338	1.5
193.05052	2.5
205.03603	0.7
209.03020	26.1
223.04550	1.9
223.06340	1.5
385.07211	0.8
385.11713	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68735	0.7
55.01876	1.9
56.54209	0.8
57.03204	0.8
57.03450	11.4
59.01374	6.4
61.46930	0.6
61.47303	0.7
65.03083	0.7
67.49590	0.6
70.13531	2.4
71.01377	2.5
72.99319	1.5
75.00864	2.0
76.62524	0.7
83.01400	2.5
84.02182	1.7
85.02955	100.0
86.03307	1.6
87.00876	2.3
101.02425	1.7
103.00356	1.8
111.00893	5.6
119.05030	6.0
129.01918	7.2
133.01439	0.9
134.03755	4.0
145.81465	0.8
147.03014	10.0
154.69957	0.7
162.90880	0.7
163.04015	10.4
173.00888	2.7
191.01968	31.9
191.05612	1.7
193.05060	2.2
205.03494	1.3
209.03032	15.8
210.03398	1.0
223.04572	6.9
385.07578	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.6
57.03454	10.3
59.01379	100.0
61.98819	4.5
63.79512	1.6
69.03453	8.7
69.56555	7.0
71.01380	41.3
71.05019	2.1
73.02946	8.4
83.01376	8.3
83.05022	2.2
84.02224	1.5
85.02953	13.3
87.00881	4.9
89.02453	3.7
93.03458	2.7
95.01437	1.7
95.05012	1.5
96.96011	7.6
97.02927	2.1
99.00855	3.7
101.02438	20.7
111.00886	3.2
111.04504	1.9
113.02453	62.2
114.02766	2.4
115.00372	14.1
119.05013	2.5
123.00860	3.9
123.04529	3.6
125.02416	4.3
129.01945	2.4
133.01411	6.5
135.04533	2.2
137.06079	3.9
143.03471	1.9
145.56140	1.6
154.30521	1.5
157.01370	3.0
157.77267	1.9
159.03049	3.5
160.19121	1.7
161.04559	20.1
163.11336	1.8
165.01927	2.8
165.05582	4.4
165.09189	1.9
167.03465	2.5
173.04515	3.3
179.03574	2.2
179.10764	2.0
207.10204	5.6
209.04637	1.8
209.11806	2.1
221.11867	2.5
223.13391	79.7
224.13773	5.0
225.07661	1.8
249.11320	10.2
251.09262	4.8
267.12381	50.4
268.12662	5.5
269.10312	27.1
270.10568	3.6
271.19116	1.8
272.69598	1.7
293.10342	9.1
311.37509	2.2
323.11432	16.5
323.15048	2.6
339.14438	3.1
356.19586	1.8
383.13126	3.5
383.17224	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	384.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85434	0.2
54.28859	0.2
57.03454	0.3
59.01377	1.8
61.98831	100.0
67.42333	0.2
70.49378	0.7
71.01396	0.9
83.01421	0.3
83.98986	0.3
85.02961	0.9
87.00882	0.4
89.02467	0.4
93.03470	0.6
101.02457	0.5
113.02461	0.5
121.02970	0.3
125.02441	0.4
137.02448	0.4
139.00334	0.3
155.14975	0.3
161.53601	0.2
167.03523	0.3
173.04517	1.2
174.01733	0.2
191.01917	0.3
209.02940	0.2
217.05006	0.4
227.14560	0.2
267.08694	0.3
269.68048	0.3
321.06198	0.4
385.11655	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.6
57.03454	10.3
59.01379	100.0
61.98819	4.5
63.79512	1.6
69.03453	8.7
69.56555	7.0
71.01380	41.3
71.05019	2.1
73.02946	8.4
83.01376	8.3
83.05022	2.2
84.02224	1.5
85.02953	13.3
87.00881	4.9
89.02453	3.7
93.03458	2.7
95.01437	1.7
95.05012	1.5
96.96011	7.6
97.02927	2.1
99.00855	3.7
101.02438	20.7
111.00886	3.2
111.04504	1.9
113.02453	62.2
114.02766	2.4
115.00372	14.1
119.05013	2.5
123.00860	3.9
123.04529	3.6
125.02416	4.3
129.01945	2.4
133.01411	6.5
135.04533	2.2
137.06079	3.9
143.03471	1.9
145.56140	1.6
154.30521	1.5
157.01370	3.0
157.77267	1.9
159.03049	3.5
160.19121	1.7
161.04559	20.1
163.11336	1.8
165.01927	2.8
165.05582	4.4
165.09189	1.9
167.03465	2.5
173.04515	3.3
179.03574	2.2
179.10764	2.0
207.10204	5.6
209.04637	1.8
209.11806	2.1
221.11867	2.5
223.13391	79.7
224.13773	5.0
225.07661	1.8
249.11320	10.2
251.09262	4.8
267.12381	50.4
268.12662	5.5
269.10312	27.1
270.10568	3.6
271.19116	1.8
272.69598	1.7
293.10342	9.1
311.37509	2.2
323.11432	16.5
323.15048	2.6
339.14438	3.1
356.19586	1.8
383.13126	3.5
383.17224	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	382.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01726	1.3
61.98836	1.3
73.57532	0.6
89.88577	0.6
96.14951	0.7
101.51040	0.7
107.80524	0.6
229.15543	0.8
322.27603	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
61.28465	0.4
65.24568	0.4
65.27625	0.4
70.99463	0.7
70.99825	0.8
71.01363	1.3
85.02950	8.5
87.00878	2.2
91.24641	0.4
93.03444	2.4
97.02947	0.4
99.69060	0.4
103.21633	0.4
104.64628	0.4
109.02942	1.0
111.04552	0.4
113.41326	0.4
113.42117	0.5
127.03992	2.4
142.69771	0.5
157.71684	0.4
159.03012	1.6
171.02951	0.5
173.04544	1.1
191.05611	100.0
192.05968	4.2
199.12404	0.5
225.15007	0.4
264.41003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1136
Annotation	Gancaonin D
Peak:m/z	Relative Intensity
50.48927	0.4
50.84647	0.3
51.79877	0.4
57.03450	15.1
59.01373	1.3
61.98833	0.8
69.16032	2.4
69.16445	1.2
71.01385	0.6
75.60136	0.3
81.03467	1.2
83.01393	1.6
85.02915	0.5
107.04986	0.4
109.02987	0.6
119.05006	0.5
125.02448	100.0
126.02805	3.4
127.00410	0.5
151.00403	0.4
151.04027	2.2
154.22295	0.5
154.28496	0.5
171.08148	0.5
185.90857	0.4
200.04782	0.9
211.04060	0.6
212.04868	0.5
216.04254	6.2
224.04584	0.8
235.03972	0.6
237.15138	0.4
241.08678	1.7
243.06648	3.5
253.16603	0.4
257.08176	19.5
258.08530	2.5
265.08743	1.8
266.05838	0.7
267.06622	1.2
271.09698	0.5
283.09741	0.9
297.11319	3.0
307.09741	10.0
308.10077	1.0
315.12366	6.8
316.12814	0.9
339.12305	3.6
351.08780	1.5
370.64230	0.5
383.11343	23.4
383.24469	1.8
384.11786	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	382.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04737	0.7
57.03463	4.0
59.01378	4.1
61.98830	100.0
63.99702	0.6
65.00325	1.3
69.45795	1.6
69.46198	3.6
71.01382	1.7
72.99363	0.8
77.93123	0.7
82.71039	0.8
83.01415	1.6
83.05021	0.9
85.03002	0.8
86.64149	0.7
87.00882	3.7
93.03469	2.6
101.02475	1.0
107.01369	1.0
109.02967	1.4
113.02541	0.8
119.05049	1.6
123.00874	3.7
124.01679	2.6
125.02446	14.3
133.06956	5.8
137.02487	2.2
139.04034	1.8
147.00877	1.3
150.03273	1.0
151.00365	6.1
152.01125	0.7
153.01930	4.7
155.03485	1.0
163.04059	0.9
165.01961	2.2
167.03497	1.4
168.40511	0.6
173.04555	5.0
175.00374	7.6
177.05595	2.1
178.99835	6.0
180.53421	0.7
181.01468	0.9
191.03539	3.3
191.05493	1.5
193.01419	43.5
194.01901	2.4
204.11778	0.7
209.04585	1.5
215.03564	2.5
220.09854	1.4
221.08179	1.4
233.04256	0.8
249.06244	2.1
255.40547	0.7
257.04712	2.4
301.03491	6.7
302.03757	0.9
319.04568	9.0
320.05270	1.0
381.19177	3.3
382.19565	4.1
383.14099	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	382.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08478	0.4
58.18615	0.4
61.98831	100.0
69.14043	0.8
69.14445	3.5
79.81258	0.4
96.96004	2.1
114.21233	0.4
223.68996	0.4
278.15707	0.5
382.23480	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	381.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
55.21838	0.4
55.70501	0.4
57.03446	0.7
59.01381	100.0
60.01715	1.1
61.98835	1.5
69.03500	0.4
69.40648	3.5
71.01376	4.4
73.02956	1.6
78.49393	0.4
83.01408	1.1
85.02978	1.9
87.00880	0.5
89.02461	1.0
89.77868	0.5
93.03474	1.7
99.17567	0.4
101.02438	3.8
111.04474	0.5
113.02485	1.6
119.03482	0.5
124.74368	0.4
141.13396	0.4
148.93698	0.4
161.04549	3.0
173.04608	1.6
204.99329	0.5
207.10211	0.7
284.03464	0.5
301.03656	0.7
321.19208	10.1
322.19693	0.9
381.10052	0.8
381.15665	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.7
55.01879	5.3
57.03440	2.7
58.00589	1.1
59.01378	32.7
59.18470	0.8
61.98820	2.5
69.03456	1.2
69.92931	3.8
69.93272	1.0
71.01382	41.5
72.99290	2.5
73.02944	26.0
81.03440	1.5
83.01380	8.7
84.78679	0.9
85.02948	24.8
86.00101	1.4
87.00877	2.9
87.08156	1.1
89.02451	7.7
95.01373	3.0
97.02946	2.5
99.00885	11.7
101.02443	48.3
111.00866	2.7
112.01606	0.9
113.02450	18.4
117.02425	0.8
119.05020	2.4
119.92683	0.8
125.02413	3.1
129.01921	1.1
130.04286	1.1
131.03593	1.1
137.06082	2.7
143.03427	1.1
149.29941	0.8
152.99612	1.7
157.08665	1.1
159.02985	3.5
161.04561	14.2
163.03986	1.6
181.05064	15.6
182.05408	1.1
183.05542	1.1
183.10182	1.3
184.89847	0.9
207.06564	3.4
249.13417	74.3
250.13777	6.6
301.07935	1.4
314.70822	0.9
335.61972	0.9
343.10446	2.2
381.17642	100.0
382.17957	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	381.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.9
58.85323	2.0
59.01381	12.7
61.98825	2.7
62.49282	1.7
69.03459	2.0
69.49893	13.4
71.01376	8.4
73.02942	5.1
81.07066	3.4
83.05029	3.0
87.00872	4.1
89.02444	20.3
93.03452	5.4
98.19903	3.9
99.04527	4.0
101.02425	3.9
103.03993	2.4
105.16807	1.8
113.02432	3.9
131.03474	7.8
137.02425	3.4
143.03429	2.7
149.04561	79.3
161.13362	52.2
173.04489	4.3
187.11192	3.3
191.05478	2.3
205.12338	100.0
206.12680	9.4
249.11330	69.0
250.11765	4.8
268.35495	1.9
284.61145	1.9
320.13831	2.7
337.22955	2.4
381.09912	5.2
381.15417	19.6
382.14255	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	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54570	0.6
55.01883	4.3
57.03454	3.3
58.00579	1.8
59.01380	28.2
61.98830	3.8
69.03468	0.6
69.68995	2.1
69.69398	1.1
71.01383	36.2
72.01712	1.1
72.99301	1.8
73.02950	24.9
75.00864	0.7
77.07641	0.5
83.01391	10.2
84.60880	0.4
85.02953	23.3
86.00098	1.1
87.00883	2.0
87.08137	0.6
89.02453	7.4
95.01396	2.9
97.02941	2.1
99.00882	9.4
101.02446	44.9
102.02780	1.4
106.62821	0.5
111.00882	1.5
113.02454	16.6
114.02785	1.0
115.04044	0.5
125.02425	1.3
129.01936	1.4
131.03468	1.6
143.03474	1.2
145.02818	0.5
149.35997	0.4
157.08633	0.7
159.03000	3.4
161.04572	13.0
161.05943	1.0
164.07205	0.5
173.04623	0.6
207.06599	1.2
221.04498	1.2
249.13437	64.1
250.13770	4.1
278.57690	1.6
381.17654	100.0
382.18042	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	381.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28263	1.3
57.03436	3.0
59.01385	8.0
68.62380	1.6
69.03488	1.3
70.24575	1.3
71.01382	5.0
71.53742	2.2
72.99242	1.6
73.02937	5.5
81.07098	4.0
83.05020	2.5
83.47837	1.4
85.02941	3.7
87.00864	4.3
89.02441	15.6
93.03459	2.8
99.04500	8.3
101.02423	2.3
103.03986	3.3
105.07073	1.7
111.00830	1.4
113.02440	1.8
118.05626	1.4
131.03490	6.3
137.02400	2.6
139.85928	1.4
149.04555	70.4
150.04916	1.6
161.13354	56.2
162.13701	4.5
162.27985	1.6
163.03995	1.9
173.04630	2.3
178.16751	1.6
187.11224	1.8
191.05641	2.7
205.12337	100.0
206.12648	6.9
249.11305	55.4
250.11644	5.8
261.55453	1.6
337.23096	2.2
343.89716	1.6
381.10397	2.7
381.15469	15.3
381.22659	2.9
382.14294	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49556	0.5
55.01860	0.6
57.03444	2.2
58.00618	1.0
59.01378	17.8
60.03336	0.6
61.98827	3.5
69.03459	1.3
71.01381	20.3
71.06011	1.2
71.06361	0.7
71.76209	0.6
72.99319	2.9
73.02941	1.2
74.02465	0.7
75.00870	9.8
83.01411	0.7
85.02946	19.7
87.00880	8.6
87.04513	9.1
89.02444	7.7
91.70103	0.6
95.01394	4.2
97.02969	0.5
99.00875	5.6
101.02426	2.7
103.00349	2.3
112.01682	0.8
113.02446	38.4
114.02773	1.0
115.00383	1.0
117.01940	1.9
119.03478	0.8
125.02422	0.8
128.34807	0.7
129.01923	2.3
131.01767	0.8
131.03494	14.7
152.05299	0.7
157.88387	0.6
161.04523	1.8
175.02527	1.9
181.07722	1.7
205.07059	0.8
207.04930	1.5
249.06169	4.9
261.08817	1.8
267.07193	100.0
267.10504	3.2
268.07504	5.4
316.10733	0.7
381.10248	8.6
382.10632	2.2
386.58679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07783	1.0
59.01382	3.5
61.98811	1.1
69.68021	0.7
69.95541	1.5
69.95917	1.3
71.01387	1.6
72.00502	0.9
72.00909	1.9
72.04523	1.1
81.86481	0.7
85.82061	0.9
86.02483	1.2
87.00915	0.9
92.05067	2.9
100.04036	1.7
116.05093	4.2
128.05054	1.8
130.06599	1.4
131.03773	2.2
132.04552	7.7
143.06099	1.0
143.70001	0.9
144.04543	7.6
154.06628	1.8
156.06932	5.6
157.07741	5.4
158.06117	2.3
159.05605	2.0
160.04050	7.6
167.06139	11.1
169.07738	3.7
170.06039	1.6
171.09285	8.2
172.04155	0.9
173.07211	9.9
175.02718	1.7
176.07275	1.0
179.06189	1.3
180.06717	1.1
181.07722	54.1
182.06160	2.0
182.08037	2.4
187.08818	1.6
188.05911	2.6
197.07178	4.0
199.08771	28.1
200.09108	2.3
201.06665	4.5
201.10938	0.9
211.08572	1.0
213.06795	1.1
217.09872	3.8
226.05110	3.3
243.07735	23.3
244.07973	1.2
256.03488	0.8
261.08789	100.0
262.09109	8.6
273.08786	2.4
291.09802	1.5
337.13928	1.0
338.08893	1.1
363.11975	3.6
381.08313	1.7
381.12985	22.5
382.13370	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	381.0979
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
57.03447	3.8
57.18698	0.5
59.01367	1.5
65.00292	0.5
69.17825	4.8
73.33064	0.5
79.05521	0.6
80.91699	0.7
83.01375	3.5
93.03478	0.9
97.02923	0.7
107.05045	0.7
109.02950	2.5
119.08637	1.3
121.02953	2.1
124.01648	0.8
125.01531	1.3
125.02450	24.9
126.02779	1.2
137.02457	7.2
145.06578	1.2
148.01550	0.6
149.02448	1.9
151.04053	0.7
156.05804	0.9
157.06650	0.7
158.03764	1.7
159.04390	0.6
161.02425	2.2
163.00320	0.7
165.01927	4.9
169.06528	1.0
170.03752	0.6
171.08122	1.8
172.05284	2.4
173.06007	1.1
174.03265	3.7
181.06543	1.6
183.04527	1.0
184.05246	1.2
185.02391	1.0
186.03241	5.1
187.03880	1.5
187.07642	9.4
188.08003	0.9
189.09154	2.2
194.07172	0.7
195.04494	0.7
196.05302	1.2
197.06079	2.0
198.06863	0.8
199.03955	2.3
199.07632	1.9
200.04784	1.0
200.08292	0.7
201.02007	0.7
206.02257	1.3
210.06798	1.3
211.03996	1.4
211.07661	1.6
212.04756	1.1
213.05507	0.8
215.07118	26.8
216.07491	2.5
225.05585	2.8
225.09233	1.9
226.06064	0.8
227.03487	1.1
227.07088	0.8
227.10794	2.7
228.04366	0.7
228.07735	0.7
235.07654	0.7
237.05516	1.2
239.10683	1.0
241.08650	0.7
243.06610	26.8
244.06955	2.0
249.09250	0.7
251.10799	1.5
253.08760	2.0
254.05830	1.6
254.08711	0.7
255.06581	1.1
256.07404	0.8
265.05008	0.6
267.10199	1.7
269.08203	1.7
269.11835	1.5
271.09842	1.7
277.08807	0.6
279.06693	1.0
280.07419	0.8
281.11896	1.1
282.05347	1.8
294.08875	1.1
295.09799	4.8
297.07648	2.8
309.11285	1.6
313.10840	3.7
319.09821	1.4
322.08551	1.0
337.10809	17.6
338.11084	2.0
363.08606	1.3
381.09781	100.0
382.05295	0.8
382.10144	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	380.1555
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
50.94633	0.8
57.03445	0.9
59.01381	24.2
59.55043	0.8
61.98817	3.3
69.35709	1.7
69.36115	5.8
71.01378	35.7
71.05013	6.2
72.01716	1.0
72.99306	1.3
73.02929	1.4
83.01373	1.6
85.02962	4.7
87.00852	1.1
88.04035	4.7
89.02435	9.2
91.89992	0.9
93.03432	0.9
99.04521	2.9
101.01864	1.3
101.02438	9.5
113.02436	5.2
116.03539	1.2
116.07169	1.1
119.03484	3.3
125.02438	3.0
128.07164	3.3
146.08229	56.5
147.08682	1.3
160.88837	0.9
161.04536	3.4
166.66960	1.0
177.01910	0.9
263.11493	1.2
266.09708	0.9
267.10904	4.0
308.13565	4.5
321.15564	1.0
362.14551	1.4
380.15598	100.0
381.15991	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	380.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.7
60.13407	0.8
61.98830	100.0
65.51156	0.7
71.41193	1.5
85.12948	0.7
134.67966	0.7
147.80397	0.8
317.17636	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	380.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38851	0.9
59.01377	6.6
61.98831	100.0
70.06253	3.8
71.01463	0.9
107.27651	0.9
108.82809	0.8
109.02952	0.9
112.45517	0.9
125.02473	4.5
126.02730	1.0
139.41856	0.9
215.07103	3.5
243.06566	3.9
244.88663	1.0
246.83739	1.0
280.10727	1.3
294.08594	1.4
297.07263	1.1
308.10193	1.6
336.09525	5.9
337.10724	2.9
380.08514	4.1
381.05179	0.8
381.09778	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	379.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.5
59.01382	100.0
60.01720	1.4
60.99303	1.5
61.98820	0.8
71.01386	5.5
72.99318	0.6
73.02943	3.0
83.01379	0.9
84.58744	0.4
85.02959	2.2
87.00889	0.7
88.98805	9.9
89.02437	5.4
93.32870	0.4
98.19926	1.1
99.80805	0.4
101.02455	5.7
103.04090	0.5
104.38416	0.5
113.02449	3.3
119.03496	2.6
120.52323	0.5
125.02441	0.6
128.28598	0.5
131.03503	0.9
137.33826	0.5
143.03586	0.7
144.01215	0.4
155.10672	0.5
161.04607	1.6
179.05649	1.0
199.09695	0.8
235.36353	0.5
265.09381	2.9
273.11362	0.8
289.07260	0.6
319.14124	1.0
379.16086	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	379.1608
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03443	1.6
58.00581	2.6
59.01378	100.0
61.98822	1.7
71.01382	52.6
71.52138	1.8
72.99313	4.0
73.02952	23.0
81.79742	1.5
83.01384	2.3
85.02958	14.3
87.00885	3.0
89.02441	71.4
95.01394	6.9
99.00880	63.6
99.43725	1.6
99.52215	1.7
100.01244	2.3
101.02444	27.6
103.03992	2.6
105.90128	1.7
113.02458	33.5
119.03514	18.7
131.03490	10.2
137.09734	2.9
143.03435	3.2
149.04552	30.4
151.47491	1.6
155.10759	9.6
157.08636	5.3
161.04562	19.0
173.04666	1.8
175.98648	1.6
179.05591	7.4
191.05612	32.7
199.09808	12.9
217.10770	9.8
233.06587	5.5
247.11882	3.0
265.09302	5.5
273.11389	3.6
277.60818	1.6
319.13910	3.3
379.16064	72.1
380.16281	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	379.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20110	0.4
50.32595	0.4
57.03438	0.8
57.85087	0.4
59.01378	100.0
60.01709	1.1
60.99308	2.7
61.98838	4.0
70.37149	1.5
71.01380	6.3
72.50927	0.4
72.99306	0.8
73.02955	2.4
75.00903	0.4
75.11933	0.4
75.69983	0.4
83.01414	1.3
85.02961	2.3
87.00887	1.1
88.98806	17.7
89.02452	7.4
93.03441	0.5
95.01390	0.6
101.02447	5.5
113.02452	3.1
119.03513	2.8
125.02447	1.4
129.02026	0.5
131.03468	0.9
138.07901	0.4
143.03503	1.2
149.02402	0.9
149.04564	1.1
157.08803	0.5
161.04616	1.8
166.49432	0.4
169.01421	0.7
179.05621	1.0
181.08742	1.9
199.09802	1.0
233.55679	0.5
265.09271	3.2
289.07230	0.7
319.13959	7.3
320.14664	0.5
343.14099	0.7
379.16068	4.1
380.16251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.2
61.98832	100.0
64.29174	0.5
65.49222	0.5
68.92458	0.5
70.42756	1.3
70.43095	0.6
70.67298	0.5
71.01404	1.7
73.59698	0.5
77.39919	0.6
85.02951	1.2
88.98811	1.3
89.02452	1.9
101.02433	0.9
113.02477	0.9
153.05577	0.9
157.05064	1.2
192.24963	0.5
265.09329	1.4
379.16296	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.0
59.01378	43.1
71.01390	55.8
71.52184	8.7
72.99320	15.9
73.44981	6.4
75.00851	13.1
83.01382	6.8
87.00896	10.8
87.19057	6.3
89.02425	18.7
99.00888	47.8
101.02468	9.7
111.00871	18.7
112.98813	100.0
115.00360	12.9
121.60493	8.0
124.98796	8.8
125.72759	6.9
129.01929	37.7
140.75793	6.2
142.99854	75.6
153.81825	7.1
173.00920	83.9
173.04660	7.0
175.02441	7.7
205.03510	14.2
217.00197	18.6
220.99577	15.8
317.33362	7.8
319.08826	28.5
341.10599	8.7
379.08414	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	379.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.5
59.01379	72.4
60.01717	1.4
60.99306	16.4
61.98823	2.3
71.01382	37.1
72.99303	2.9
83.01395	1.8
85.02956	20.0
87.00876	3.0
88.98803	100.0
89.02444	49.8
101.02440	19.3
109.02984	1.8
111.69858	1.5
113.02442	18.4
119.03502	20.3
125.02461	3.0
131.03462	2.8
135.04486	3.5
138.87029	1.3
143.03467	4.3
143.80223	1.9
149.04524	2.0
161.04541	5.9
169.29779	1.4
179.03511	2.1
179.04010	2.2
179.05605	17.1
199.09763	1.5
203.07291	1.5
255.65491	1.7
265.09265	42.6
266.09616	3.5
289.07092	5.2
290.07608	1.8
291.07596	1.6
296.85440	1.4
319.13965	1.5
379.08395	1.7
379.16153	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	377.2334
Annotation	16-Hydroxybacchasalicylic acid-15-O-acetate
Peak:m/z	Relative Intensity
59.01381	100.0
59.60751	0.9
61.98823	2.3
71.09256	1.7
71.09610	1.0
83.87705	1.0
87.12558	1.0
113.99557	3.0
115.91127	1.1
174.01709	3.6
233.46486	1.1
261.18777	1.2
273.18475	1.4
273.91052	1.1
287.20264	5.5
317.17453	3.4
317.75992	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01718	1.7
60.92311	0.6
61.98830	2.3
73.02932	0.7
78.95902	5.9
84.78552	0.5
99.94815	0.5
105.67477	0.5
165.01938	1.0
171.00710	3.1
200.19188	0.6
203.10884	0.6
208.12517	0.7
211.13409	0.7
223.23071	0.5
241.18239	0.7
257.05942	0.6
272.29346	0.7
308.22607	0.9
315.05087	0.8
341.11179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36258	0.7
59.01383	4.0
61.98831	100.0
70.84706	1.7
70.85065	0.9
71.01382	1.3
84.46790	0.7
95.38438	0.8
108.02176	1.1
119.46749	0.8
135.00981	0.8
138.68546	0.8
146.32765	0.8
148.01639	1.4
151.00351	1.3
162.50931	0.7
164.01117	1.1
173.04544	1.1
174.71352	0.9
175.07628	3.6
197.82228	0.9
227.03564	1.0
243.02924	5.5
244.03625	1.4
248.64606	0.8
254.02170	1.6
255.02983	16.2
256.03378	2.5
266.67905	0.8
271.02466	37.6
272.02930	3.8
300.02744	84.7
301.03146	7.8
315.05099	81.1
316.05365	8.2
316.08200	0.7
379.25024	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	377.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01720	1.2
61.98817	0.5
68.75408	0.4
69.84481	0.7
69.84892	1.6
71.01383	2.5
73.02950	0.8
75.85897	0.4
79.89353	0.5
83.01388	0.5
85.02961	1.4
87.04508	3.7
96.96124	0.5
99.00875	0.6
101.02430	3.0
113.02453	1.5
151.25266	0.5
159.02982	0.5
161.04594	1.5
166.25464	0.4
188.84927	0.4
259.43976	0.5
280.24228	0.5
317.19647	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	377.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85888	1.0
57.03468	1.1
59.01376	19.4
61.98832	7.3
66.20467	1.0
69.40794	8.6
89.42920	1.2
95.05015	6.7
95.05547	1.0
98.19936	2.0
99.92609	1.9
113.09724	3.2
122.04670	1.0
128.80913	1.0
170.80078	1.2
195.13902	19.2
213.19722	1.3
217.12064	1.1
249.22238	1.3
268.11334	1.1
277.21713	15.7
278.11353	5.7
278.21970	2.2
279.11734	1.3
295.22778	100.0
296.23065	10.0
312.43936	1.2
315.19424	1.8
317.20947	50.7
318.21341	4.6
338.12402	1.3
341.10977	1.5
361.20132	5.3
377.08755	1.3
377.22430	12.6
377.27060	6.9
378.22708	1.2
378.27386	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	376.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41331	1.0
57.03447	2.7
59.01379	36.8
60.01722	1.5
61.98831	94.6
69.03455	1.4
70.87957	1.0
70.96289	1.0
71.01370	5.7
73.02939	4.9
77.03967	3.2
78.75179	1.2
85.02952	2.2
87.00878	1.2
89.02468	3.4
93.03463	7.0
93.74303	1.1
101.02428	3.1
103.03950	1.1
107.05020	1.7
113.02482	2.1
121.02934	3.7
123.04520	7.5
124.01717	1.5
129.01903	1.4
131.03503	6.4
132.02174	1.4
133.02953	7.8
135.04482	3.1
137.02391	1.7
149.02428	4.7
163.04071	1.5
173.04532	4.2
176.01135	2.2
177.01933	42.7
178.02396	2.3
178.60748	1.4
183.13948	2.4
185.11826	6.0
186.81744	1.5
191.05542	1.7
197.63365	1.4
205.01428	1.7
207.10271	2.3
221.64430	2.6
222.14769	1.2
241.45923	1.2
243.64018	8.9
244.14175	2.1
245.13934	4.9
271.19131	8.9
272.19376	2.4
298.04736	3.6
309.66028	1.8
311.05719	1.8
313.07166	100.0
314.07434	10.1
341.10876	2.7
342.09436	1.2
375.20050	1.7
375.27539	5.7
376.16757	3.4
376.20538	4.1
376.27866	3.5
376.67923	1.3
377.08490	2.6
377.13324	1.4
377.18094	4.6
377.29123	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	375.2175
Annotation	CHEBI:67688
Peak:m/z	Relative Intensity
52.40242	1.1
59.01381	100.0
64.39547	1.1
95.05012	3.8
98.19771	2.4
134.02782	1.4
152.59309	1.2
172.06172	1.1
179.29094	1.2
246.12305	2.3
271.20477	1.6
278.11343	11.4
289.21768	7.7
293.21246	13.0
315.19424	5.8
333.20721	22.5
334.21021	2.0
350.06863	1.4
375.21698	46.4
376.22125	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2176
Annotation	Maoecrystal G
Peak:m/z	Relative Intensity
50.35912	0.6
59.01381	100.0
60.01720	1.1
61.98835	5.6
70.55143	0.6
71.28559	1.3
86.75838	0.7
127.87872	0.6
163.11501	0.7
186.30434	0.6
189.85091	0.6
191.51831	0.8
245.40675	0.6
257.15616	0.8
315.19370	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75870	0.9
57.03449	1.6
59.01380	8.4
61.98830	11.7
65.00307	1.3
69.27546	7.7
71.01373	2.5
83.01390	3.0
85.02954	1.6
86.22107	1.0
88.98803	3.4
89.02439	1.4
89.08968	1.0
92.29610	0.9
101.02457	1.1
107.01387	3.4
108.01637	1.1
125.02430	4.0
133.02948	1.2
133.06580	1.0
139.50092	0.9
145.02914	0.9
147.04532	1.1
151.00362	4.9
161.02458	4.2
173.04564	1.3
187.00356	3.3
199.04007	0.9
217.04965	1.3
262.75729	0.9
267.02856	2.4
283.02728	1.2
285.03949	1.2
295.02356	7.7
300.05377	1.0
313.03537	100.0
314.03873	9.1
328.58871	0.8
375.20120	2.0
375.27512	15.1
376.20651	1.2
376.27808	5.2
377.08261	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83084	0.4
57.03460	0.9
57.13422	0.4
57.86823	0.6
58.51734	0.5
59.01380	100.0
60.01706	1.1
61.98818	0.7
69.40583	0.4
69.47170	3.4
71.01392	2.0
85.02953	0.8
87.00925	0.5
89.02454	0.7
93.46565	0.5
101.02468	1.8
113.02457	1.2
117.02836	0.5
161.04536	3.1
173.85144	0.5
184.79201	0.5
245.02104	0.5
315.18167	1.4
375.27536	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.7
59.01380	100.0
60.01723	1.3
70.71372	1.4
71.01380	3.6
72.29922	0.6
73.02943	3.0
77.85803	0.5
83.01403	1.2
85.02942	2.7
87.00902	0.6
89.02446	1.0
93.03456	0.5
95.01461	0.6
99.00877	0.8
101.02470	2.7
111.00871	0.7
111.08115	0.8
113.02403	2.2
120.99704	0.5
129.02055	0.5
129.09262	0.6
131.03583	0.6
137.09734	1.0
142.86494	0.5
155.10838	1.2
161.04599	0.8
173.11819	0.9
199.13385	0.7
201.14983	2.1
214.36862	0.5
230.15195	0.6
243.12320	1.0
313.07227	0.6
315.17969	0.7
333.19208	4.5
375.27505	15.7
376.27771	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67307	0.4
52.46212	0.3
55.01879	0.6
57.03444	0.5
59.01381	100.0
60.01717	1.2
61.98842	0.5
70.54350	0.9
71.01383	3.0
73.02956	0.7
75.00884	0.8
79.51515	0.4
85.02963	1.4
88.98822	0.8
89.02472	0.8
93.03468	0.5
101.02470	1.9
103.49235	0.4
109.20468	0.3
113.02480	1.0
118.86187	0.4
129.01889	0.3
147.03038	0.5
149.02548	0.5
159.71658	0.4
161.04559	2.2
165.04106	1.1
165.12891	1.6
173.04565	0.4
183.13904	5.8
227.12881	5.6
286.10776	0.4
315.18130	3.0
375.16232	2.6
375.20920	0.6
375.27463	3.4
376.27896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81056	0.4
51.49690	0.4
60.61264	0.4
60.97516	0.5
61.98842	0.5
63.62150	0.3
69.26309	2.6
70.56315	0.3
74.99075	2.6
79.08937	0.3
80.61375	0.4
87.79911	0.3
93.00137	1.0
104.39802	0.3
143.05319	0.6
144.12564	0.3
149.01035	0.5
159.08473	10.1
160.08701	0.6
161.06407	2.4
167.47635	0.3
192.98073	0.8
209.01228	2.5
210.01306	0.6
217.07231	1.0
226.34256	0.3
261.04434	0.5
275.05991	0.7
277.07535	2.7
289.07599	1.8
291.09100	92.9
292.09201	13.0
309.10193	0.8
357.13843	1.6
359.15341	100.0
360.15491	17.4
375.18472	10.6
375.28799	0.4
376.18677	1.3
377.16309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
57.03443	0.6
58.00592	0.2
59.01381	100.0
60.01712	1.2
61.98843	0.5
63.37015	0.2
70.84605	0.6
71.01387	3.1
72.99316	0.3
73.02946	0.8
75.00885	0.8
83.01388	0.5
85.02950	2.0
87.00909	0.3
88.98801	1.3
89.02446	1.4
93.03477	0.4
99.00931	0.3
101.02458	2.1
113.02444	1.6
119.03529	0.4
119.05075	0.3
129.02010	0.6
135.89876	0.3
137.02481	0.3
147.03023	1.0
159.02989	0.3
161.04539	2.2
163.04082	0.3
165.04092	0.9
165.12857	1.9
168.04271	0.4
173.04651	0.4
183.13899	6.1
184.14175	0.4
191.05638	0.3
209.11868	0.3
227.12865	5.9
228.13313	0.4
284.35620	0.3
285.04193	1.0
287.16916	0.3
315.18179	2.5
339.63141	0.3
357.26563	0.3
375.16302	2.9
375.20953	0.5
375.27441	4.4
376.17279	0.4
376.27991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96985	0.6
57.03444	1.3
59.01377	28.8
69.77289	0.7
72.19220	0.6
73.02940	3.7
82.26199	0.6
92.20954	0.6
98.19835	1.1
119.80609	0.6
139.11293	28.0
140.11638	1.5
140.44502	0.6
163.11365	0.9
165.09125	1.2
167.61467	0.6
181.12326	13.1
182.12646	0.8
183.10254	29.6
184.10559	1.8
198.90129	0.6
199.13412	8.7
225.11270	6.3
226.11658	1.0
229.51178	0.8
243.12361	100.0
244.12686	7.0
375.16586	30.0
376.16904	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	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01633	0.5
55.01880	8.4
57.03438	1.3
59.01377	3.3
60.99304	0.8
69.45630	3.3
71.01387	4.4
72.99280	0.4
73.02927	1.4
75.00871	4.8
82.79451	0.5
85.02930	2.5
88.98804	5.5
89.02435	2.3
90.09290	0.4
93.03442	0.7
96.53355	0.4
97.06647	0.4
99.00876	1.1
101.02415	3.0
111.08166	2.0
113.02441	0.7
119.03501	0.6
119.05006	0.5
129.01947	3.4
135.98312	0.7
137.02414	0.6
137.82352	0.5
139.80064	0.5
147.03009	6.1
153.09169	0.8
165.04048	4.5
165.12846	28.2
166.13159	2.1
183.13901	100.0
184.14238	7.7
191.10872	0.7
195.13837	2.7
202.43239	0.5
209.11810	2.6
213.14958	25.2
214.15311	2.0
227.12891	84.3
228.13226	6.9
285.03998	3.6
313.03641	0.6
329.23254	0.5
349.00284	0.5
357.15558	0.9
357.26279	0.5
370.50586	0.5
373.26239	0.6
375.16614	37.7
375.27420	24.0
376.16953	4.9
376.27679	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91193	0.7
59.01371	0.8
61.98819	1.0
62.20193	0.7
70.61994	0.7
71.06959	1.4
74.99061	2.7
77.65579	0.6
107.08332	0.8
146.09277	0.7
159.08450	10.2
161.06380	2.5
194.39989	0.7
209.01207	1.9
217.07137	2.3
275.05972	1.4
277.07556	1.8
288.69873	0.7
289.07556	1.0
291.09097	99.0
292.09207	14.2
334.69363	0.7
357.13773	2.3
359.15344	100.0
360.15494	17.5
375.18484	9.7
375.28802	1.2
376.18503	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
57.03436	2.2
59.01379	9.3
69.03464	1.1
69.20697	4.3
69.21102	1.4
71.01376	1.8
73.02945	87.8
74.03269	1.4
87.00874	0.7
89.02443	4.9
92.45795	0.6
101.02395	0.8
106.55439	0.6
111.00869	1.7
112.44637	0.7
113.02455	1.2
117.01929	0.9
123.98630	0.7
125.02452	0.7
125.09716	11.8
126.10007	0.8
131.03539	1.6
137.02469	0.9
139.11288	9.5
149.04552	18.6
152.64143	0.6
167.03648	0.8
169.08669	6.2
181.12338	7.4
183.10280	5.8
184.10681	0.8
199.13399	16.2
200.13667	0.7
201.11333	3.5
215.12909	0.8
225.11304	5.3
234.53491	0.6
239.16597	0.6
243.12364	100.0
244.12689	8.2
287.11691	0.9
375.16629	29.4
376.16858	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78178	1.5
54.99094	1.4
57.03434	4.7
59.01379	19.8
65.01534	1.3
65.28313	1.4
69.62221	8.7
73.02946	45.7
73.03357	2.2
83.05024	1.6
89.02441	2.7
98.86985	1.3
111.00852	4.6
121.77261	1.3
125.02447	1.8
125.09705	5.1
139.11287	20.6
145.64973	1.3
149.04559	8.8
169.08762	3.7
181.12349	9.2
183.10294	12.1
197.12088	1.6
199.13428	12.6
201.11314	9.6
215.12871	2.8
225.11301	8.1
243.12367	100.0
244.12738	8.1
287.11438	3.6
311.23318	1.4
375.12335	1.7
375.16650	25.3
376.16876	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	374.9923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62907	0.3
59.01379	63.5
60.01709	0.8
61.98834	1.9
62.46244	0.3
69.31644	2.7
78.87507	0.3
90.97132	1.7
98.20667	0.7
114.98911	0.5
118.96580	0.4
132.98198	2.4
156.99895	1.6
171.97426	0.7
172.97462	0.4
173.97104	0.3
174.99245	23.5
175.99655	0.8
201.02539	1.1
217.00285	100.0
218.00630	3.8
231.99474	0.4
233.99088	0.3
297.36960	0.3
314.98712	1.1
374.99207	7.7
375.99353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18344	1.0
55.94378	1.0
59.01376	6.0
60.99308	14.4
64.21452	1.0
68.52651	0.9
69.52180	1.9
69.52581	5.7
71.01336	1.4
78.98326	1.0
88.98806	100.0
89.99123	1.4
93.03468	1.8
98.20628	2.0
107.01395	2.2
113.02469	1.1
119.04960	1.1
125.02441	1.1
133.02959	8.1
146.23170	1.0
151.00337	4.5
173.04529	2.1
175.03935	1.5
191.05533	1.2
201.01892	1.3
285.04044	64.5
286.04410	6.1
313.03485	2.6
374.26077	3.1
374.93402	1.2
375.20245	1.7
375.27448	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	375.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.2
57.03453	21.6
59.01388	66.7
61.98824	5.0
67.01892	3.1
69.03457	6.6
69.56222	3.6
69.81400	15.8
71.01393	33.1
72.99311	6.4
73.02943	6.1
81.03468	10.2
83.01395	16.9
83.05019	11.3
85.02950	100.0
87.00831	7.7
87.44969	3.3
89.02457	27.5
93.03453	16.4
95.05022	7.1
97.02943	10.1
97.06593	6.9
99.00800	4.0
99.04514	11.9
101.02435	24.3
109.02946	11.6
109.06580	4.2
111.04539	6.2
113.02477	15.7
113.06071	5.9
119.03503	10.8
121.02924	6.7
121.06615	4.3
123.02043	3.4
123.04540	8.2
125.02455	75.3
129.01950	9.7
133.06526	3.5
137.02452	68.8
137.06009	3.1
138.03255	35.2
139.03975	4.3
145.65024	3.3
147.03006	16.6
147.04143	3.4
149.02412	9.5
149.06108	9.6
151.04051	4.1
159.04555	3.2
161.04599	6.1
161.05986	5.9
161.09738	6.1
163.07607	4.4
165.01932	28.1
165.05522	5.9
166.02669	21.3
167.03499	79.2
172.36507	3.8
173.04517	13.0
173.05981	6.6
175.04010	5.1
177.05534	11.8
187.03918	4.4
189.05626	3.8
191.02002	36.1
191.05600	4.7
201.05518	3.4
201.11214	3.6
203.07111	5.5
205.05057	68.9
206.05374	3.7
207.10298	22.2
231.06567	8.0
233.04559	11.1
259.06012	3.5
277.07187	11.9
329.13849	7.3
331.11877	10.4
339.12222	9.4
357.13358	31.9
358.13885	5.8
375.15036	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	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71521	2.0
59.01383	15.2
61.98832	100.0
69.76954	6.9
69.77374	3.7
78.78860	2.3
80.09406	2.1
104.51972	2.2
136.34792	2.2
151.71817	2.5
217.48888	2.2
303.74744	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	374.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28568	3.0
59.01379	21.9
59.17489	3.2
61.98829	100.0
69.16410	2.7
92.99995	3.8
119.45975	2.7
139.47252	3.5
225.73184	4.4
246.79099	3.2
248.61815	3.6
347.14853	3.4
389.88132	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	374.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11687	1.7
56.97681	1.7
59.01384	14.6
61.98832	100.0
62.81396	2.3
63.64156	2.1
71.42297	3.7
148.76111	2.1
281.04358	2.2
385.00742	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	373.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.6
59.01111	0.3
59.01382	5.0
68.35045	0.2
69.03444	0.6
71.01375	1.6
71.53076	0.3
73.02943	1.2
83.01398	0.8
83.05062	0.2
85.02934	1.4
87.00897	0.3
87.04552	0.3
88.34917	0.2
89.02438	0.6
93.03462	0.8
95.05008	0.5
97.06586	0.2
101.02452	1.4
111.04476	0.2
111.08128	0.5
113.02447	0.6
119.05042	0.9
120.49272	0.2
123.04605	0.2
123.08160	0.9
125.02435	1.1
125.09715	2.3
127.11316	1.9
137.02429	1.6
137.09727	1.8
139.07698	0.2
141.09230	0.6
143.10750	0.5
145.02960	0.5
153.01825	0.3
153.09233	0.4
153.12857	0.6
155.10776	1.6
161.04626	0.3
163.04015	1.3
165.02028	0.4
167.03506	0.9
168.04317	0.5
171.10274	8.0
172.10565	0.5
173.04538	0.4
173.40955	0.3
185.11819	0.7
191.05637	0.4
199.13315	0.3
201.14983	0.6
207.10341	0.3
209.08113	0.2
210.08611	0.3
211.08794	0.5
229.14615	0.4
230.15215	0.6
241.14525	0.3
283.13474	0.4
285.15540	0.3
285.20786	1.7
293.10400	0.8
313.23810	0.6
325.23840	2.0
327.21671	0.7
337.23978	0.4
343.25104	0.4
355.24738	1.9
371.24561	0.9
373.18384	3.1
373.25931	100.0
374.18930	0.5
374.26273	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	373.2593
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03447	4.9
59.01381	1.8
61.98819	0.6
69.03450	0.3
69.48482	1.8
71.01382	1.0
73.02943	0.9
77.27558	0.3
78.84240	0.2
83.01372	0.5
85.02948	0.8
89.02419	0.6
97.06586	0.4
101.02442	1.0
105.90087	0.3
111.08176	0.7
113.02453	0.4
119.05007	0.3
121.02918	0.3
122.02655	0.3
123.08155	1.0
125.02473	0.7
125.09724	3.0
127.00347	0.7
127.11308	1.9
137.02400	0.5
137.09752	1.6
139.11282	0.3
141.09239	0.5
143.10805	0.5
153.09166	0.6
153.12840	0.7
155.10756	2.0
165.01831	0.4
167.03525	0.5
171.10265	8.3
172.10619	0.5
183.13879	1.1
185.11496	0.3
200.10472	0.4
201.14886	0.6
205.08784	0.3
223.63957	0.3
227.12828	2.0
229.14511	0.6
230.15169	0.5
327.21732	1.1
343.24918	0.3
354.09998	0.3
355.24951	2.0
371.24258	1.3
373.25922	100.0
374.26263	12.5
382.51636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.6
59.01111	0.3
59.01382	5.0
68.35045	0.2
69.03444	0.6
71.01375	1.6
71.53076	0.3
73.02943	1.2
83.01398	0.8
83.05062	0.2
85.02934	1.4
87.00897	0.3
87.04552	0.3
88.34917	0.2
89.02438	0.6
93.03462	0.8
95.05008	0.5
97.06586	0.2
101.02452	1.4
111.04476	0.2
111.08128	0.5
113.02447	0.6
119.05042	0.9
120.49272	0.2
123.04605	0.2
123.08160	0.9
125.02435	1.1
125.09715	2.3
127.11316	1.9
137.02429	1.6
137.09727	1.8
139.07698	0.2
141.09230	0.6
143.10750	0.5
145.02960	0.5
153.01825	0.3
153.09233	0.4
153.12857	0.6
155.10776	1.6
161.04626	0.3
163.04015	1.3
165.02028	0.4
167.03506	0.9
168.04317	0.5
171.10274	8.0
172.10565	0.5
173.04538	0.4
173.40955	0.3
185.11819	0.7
191.05637	0.4
199.13315	0.3
201.14983	0.6
207.10341	0.3
209.08113	0.2
210.08611	0.3
211.08794	0.5
229.14615	0.4
230.15215	0.6
241.14525	0.3
283.13474	0.4
285.15540	0.3
285.20786	1.7
293.10400	0.8
313.23810	0.6
325.23840	2.0
327.21671	0.7
337.23978	0.4
343.25104	0.4
355.24738	1.9
371.24561	0.9
373.18384	3.1
373.25931	100.0
374.18930	0.5
374.26273	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	373.2019
Annotation	Cembranolide A
Peak:m/z	Relative Intensity
50.39500	0.2
59.01379	100.0
60.01714	1.1
61.98833	0.7
67.20493	0.2
77.59422	0.2
78.46832	0.2
123.08160	0.4
126.73311	0.2
137.17761	0.2
173.09720	0.3
211.30904	0.2
269.19168	0.7
315.19742	1.0
331.19141	1.4
373.15695	1.1
373.20383	1.1
374.15952	0.2
394.34491	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29611	0.2
55.18624	0.3
57.03448	3.5
59.01383	8.1
60.01707	0.3
60.99304	0.3
62.29004	0.3
69.03487	0.3
71.01376	1.9
71.53893	0.3
73.02955	1.6
83.01402	0.9
83.05025	0.6
85.02958	1.4
87.00895	0.7
87.04511	0.6
89.02439	0.8
93.03457	1.2
95.01366	0.4
95.05055	0.6
97.06585	0.6
99.04510	0.5
101.02430	1.5
107.04990	0.3
109.02932	0.7
110.84431	0.3
111.08167	0.7
113.02423	1.1
119.03497	0.4
119.05051	1.4
123.08157	0.6
125.02452	2.2
125.09725	2.7
127.11293	1.8
131.03566	0.3
137.02437	1.7
137.09743	1.4
141.09274	0.5
143.10730	0.6
145.02934	0.6
150.03197	0.4
151.03909	0.4
151.11290	0.3
153.01958	0.3
153.09209	0.5
153.12848	0.7
155.10753	1.9
161.04536	0.4
161.09695	0.4
163.04028	1.2
165.01956	0.5
167.03445	1.6
168.04259	1.4
169.12292	0.4
171.10255	8.3
172.10611	0.6
173.04526	0.9
179.03587	0.3
181.12341	0.3
185.11749	1.0
191.05540	0.4
199.13451	0.4
205.08627	0.5
209.08182	0.5
227.07263	0.5
227.13052	0.3
228.78745	0.4
229.14438	0.6
230.15111	0.7
283.13412	1.1
285.20816	1.6
293.10327	1.4
301.14496	0.4
313.23810	0.5
325.23834	1.9
327.21716	0.7
331.17914	0.3
343.24774	0.5
355.11639	0.3
355.24820	1.6
371.24341	0.9
373.18411	3.7
373.25922	100.0
374.26266	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	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
57.03442	0.8
59.01379	100.0
60.01710	1.0
60.61873	0.4
69.93966	0.3
70.71767	0.9
71.01385	5.0
73.02947	2.2
80.63579	0.4
83.01367	0.8
85.02966	3.1
87.00869	0.5
89.02438	0.8
99.00903	0.9
101.02435	3.4
104.98195	1.2
113.02448	1.5
119.08676	0.5
125.02484	0.8
128.98422	0.3
136.42935	0.4
137.09798	0.4
149.04538	1.8
161.04553	2.8
167.60074	0.3
173.92381	0.4
179.10837	0.6
181.08730	1.2
188.18941	0.4
197.11836	5.6
203.43362	0.4
241.10831	6.5
255.16394	0.4
256.27649	0.4
306.08087	0.4
331.17624	4.0
332.18011	0.5
373.15155	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	373.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
57.03199	0.8
57.03445	5.1
57.32918	0.6
58.00610	1.9
59.01378	100.0
59.91858	0.8
60.01699	0.8
60.96474	0.8
61.98832	1.3
64.50005	0.9
69.03448	3.7
69.99001	3.5
71.01382	30.7
71.04999	0.9
72.01681	0.9
72.99297	2.4
73.02949	2.6
81.03459	3.9
83.01390	4.9
83.05030	1.0
85.02948	7.7
87.00866	2.6
89.02442	30.5
93.03451	3.0
95.01388	3.0
97.02944	1.4
99.00900	1.6
99.04514	1.9
101.02444	19.5
107.05016	1.8
109.02953	2.0
113.02434	10.7
119.03498	16.8
119.05014	3.1
120.99647	1.3
121.02934	0.8
122.89533	0.8
123.04566	1.1
123.08163	0.9
124.01619	1.4
125.02460	11.8
125.06099	1.3
131.03557	1.3
137.02441	11.4
137.09718	1.2
138.03239	1.5
141.05573	1.6
143.03496	2.6
145.02988	2.0
147.04501	1.6
149.02464	1.0
149.04581	1.3
151.04037	1.4
161.04607	3.7
161.09726	0.9
163.03993	5.0
165.01958	2.6
165.09167	6.2
166.02760	0.9
166.09535	2.2
167.03487	8.2
167.09769	2.5
168.04146	1.8
173.04527	3.3
177.09135	1.1
179.05650	1.7
185.00883	2.3
189.09248	2.5
191.05560	1.2
193.12291	3.9
197.11752	1.2
199.13486	1.1
208.24332	0.8
209.08180	16.1
210.08490	10.9
211.08730	17.3
212.08914	0.8
217.08627	1.4
227.12943	0.9
231.06599	1.0
293.10172	2.6
298.08563	1.5
313.10767	4.2
327.12399	1.2
331.17633	1.8
344.80722	0.9
355.11911	3.8
373.13007	10.0
373.18607	25.7
373.25595	4.3
374.13159	1.1
374.18329	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	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57594	0.8
57.03436	2.4
59.01371	2.9
61.98815	3.2
69.29766	6.0
69.30177	1.1
71.01388	2.6
71.05014	0.8
73.02938	2.4
75.27506	0.8
77.11744	0.9
81.03458	0.9
83.05019	4.5
87.00870	1.2
89.02446	6.5
92.49641	0.8
95.04994	1.5
97.06593	10.4
109.06583	1.9
111.08171	11.6
131.03488	3.4
149.04555	24.1
163.11267	3.5
165.12843	100.0
166.13187	7.1
197.15465	61.9
198.15775	4.6
209.11816	5.3
227.12819	1.5
241.14455	42.3
242.14873	3.9
373.12985	0.9
373.18970	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30990	0.2
51.35817	0.3
57.03447	3.7
59.01389	1.8
59.26728	0.3
61.98839	0.5
69.03452	2.2
71.01378	1.3
71.05025	0.8
71.08003	0.6
73.02946	2.5
81.03458	0.5
82.24346	0.3
82.34605	0.3
83.05038	0.7
95.04968	0.3
96.92043	0.3
97.06580	0.6
100.99181	0.3
101.02451	0.3
102.46789	0.3
103.04019	0.8
109.06608	0.6
111.08160	8.9
112.08495	0.5
131.03506	3.2
137.09731	0.4
147.11765	0.3
153.09232	0.6
154.21654	0.2
163.11227	0.7
165.12840	100.0
166.13191	6.8
181.12308	2.2
191.10739	1.7
197.15459	0.5
200.36711	0.3
209.11797	7.0
210.12106	0.7
227.12868	11.0
227.15146	0.5
228.13300	1.0
241.14447	5.5
252.41862	0.3
373.18729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	100.0
58.03795	1.7
59.01377	4.6
61.98838	0.3
67.17505	0.3
69.33286	2.4
71.01399	0.8
73.02943	1.6
83.01392	7.7
85.02969	0.3
89.02454	1.0
93.03472	0.3
94.94548	0.3
95.62650	0.3
99.00878	0.3
101.02444	11.1
102.02811	0.4
103.00314	0.4
110.68039	0.3
111.08166	0.5
111.54322	0.3
119.03528	0.4
123.08239	0.3
127.00373	16.1
128.00693	0.3
145.01433	7.7
146.98747	0.3
163.02496	3.9
165.09184	0.6
165.12845	9.1
166.09595	0.3
166.13191	0.6
167.03494	0.6
177.80461	0.3
183.13898	33.3
184.14240	1.6
187.13457	0.3
209.08224	0.8
209.11900	1.0
210.08475	0.6
211.08736	1.0
227.12881	65.7
228.13206	5.2
283.15479	0.3
285.15182	0.7
373.14999	25.1
373.25809	6.8
374.15329	3.9
374.26202	0.4
392.38208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20493	0.7
57.03449	7.4
59.01379	100.0
60.01713	1.3
67.05545	1.0
69.03455	1.1
69.65066	4.3
71.01379	2.2
71.05033	2.6
73.02952	2.5
77.82944	0.9
79.05517	0.9
83.01383	1.1
83.05043	2.0
85.02944	1.1
87.00835	1.1
89.02442	3.4
93.03475	1.4
93.07110	0.8
95.05020	0.7
97.06588	1.2
99.04513	5.6
101.02446	1.5
119.05056	1.0
119.08631	2.8
121.06551	0.9
123.04504	0.8
125.02512	1.0
131.03529	1.1
135.08167	1.1
135.11784	2.3
137.02444	1.8
137.09735	7.4
149.04559	10.6
150.03284	0.9
151.11237	1.0
153.01907	1.4
153.12822	2.2
161.09663	0.9
162.03296	1.1
163.07657	1.8
167.03587	0.8
173.04509	1.3
179.10783	4.5
180.11127	0.9
181.08708	14.1
182.09001	1.3
191.05612	0.9
197.11819	58.4
198.12195	4.8
199.13435	2.2
223.09825	1.6
228.49252	0.8
241.10809	81.4
242.11180	6.7
338.17505	0.8
373.14993	37.7
374.15448	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	373.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26892	1.5
57.03437	5.8
59.01379	100.0
59.92335	1.6
67.05534	2.0
69.46039	12.8
71.01365	2.1
73.02966	2.2
79.06217	1.8
83.01392	1.7
89.02444	6.2
95.05032	1.7
99.04483	2.4
111.00874	2.1
119.08648	4.4
125.02423	4.6
131.03503	2.5
137.02364	2.1
137.09724	7.8
149.04553	36.2
167.03487	4.7
179.10791	2.2
181.08655	15.6
197.11824	79.9
197.26164	2.0
198.12178	8.2
223.09702	2.2
241.10818	60.7
242.11075	5.4
248.82249	1.6
355.11771	2.0
360.17712	1.7
373.15100	33.7
374.15323	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21369	0.5
51.85159	0.5
52.65975	0.5
55.49932	0.5
57.03441	1.3
58.00596	0.9
59.01381	19.7
61.98824	1.3
71.01382	10.9
71.23540	1.2
72.99324	0.8
78.22431	0.6
83.01392	1.4
85.02528	0.5
85.02951	3.3
87.00864	0.6
89.02454	13.2
95.01392	2.0
101.02446	7.7
108.02175	9.7
109.02936	0.7
111.00878	1.2
113.02466	5.1
113.82977	0.6
119.03491	5.9
122.03745	1.4
123.00884	3.5
123.04543	3.7
124.01671	2.6
131.03444	0.7
133.06569	0.7
136.01685	1.3
137.06094	1.2
149.02411	2.0
150.03229	10.7
151.03949	0.9
153.01979	1.3
153.05513	0.6
165.01860	0.9
165.05576	2.2
177.01898	2.1
178.02715	42.8
179.03035	2.6
193.05055	100.0
194.05371	6.8
208.15054	0.6
209.03072	0.7
211.03458	1.5
221.04596	0.6
373.11365	6.5
373.15536	0.7
374.11575	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.3
61.98830	100.0
63.51910	0.6
66.60582	0.6
71.08424	0.8
71.08780	0.9
83.01395	1.8
83.05022	1.5
84.01711	0.9
108.02213	0.6
110.89700	0.6
111.08152	0.8
121.02969	1.2
121.06614	0.9
125.09703	0.7
127.95384	0.7
149.06071	9.2
151.07655	0.7
163.11287	2.4
200.27843	0.6
276.00497	0.7
301.18253	1.3
313.18063	9.4
315.16138	1.5
331.19122	4.7
372.15247	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87920	2.9
69.79101	10.8
69.79514	4.8
69.82175	2.9
71.01382	6.7
73.02954	6.9
85.02943	9.9
87.00893	6.8
87.34669	2.9
89.02441	37.6
98.19978	4.1
101.28816	2.9
123.04520	11.5
131.03542	5.1
131.37430	2.8
149.04546	100.0
167.41164	3.7
191.05530	3.3
329.09033	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.8
58.02971	5.1
58.99606	35.3
59.01381	13.2
67.01890	1.6
69.03422	1.3
69.61959	7.8
71.01376	5.7
74.99100	2.1
77.54588	1.2
82.06641	2.4
83.01370	1.3
83.05033	1.7
84.04550	1.8
84.08181	2.5
85.02958	4.2
86.02481	3.5
86.06081	1.6
86.99105	3.2
87.00886	3.9
88.04012	1.3
89.02443	1.9
93.03468	6.2
95.01350	2.7
96.04517	1.3
96.96011	1.3
97.02987	1.1
98.20588	2.2
99.00883	1.6
99.04491	2.7
101.02460	2.1
102.98592	21.1
107.01411	1.8
111.00874	2.6
111.04493	1.2
111.05643	3.3
112.04005	5.5
113.02419	2.1
114.05617	8.3
117.58614	1.3
122.06091	2.3
125.02438	3.7
130.08739	35.7
131.09113	1.4
137.02415	1.6
137.12044	1.2
138.09232	1.8
140.03532	7.3
140.07172	4.4
149.06085	3.4
151.00349	2.7
151.05193	1.5
152.07149	2.6
153.01881	1.5
153.10321	7.9
154.03371	1.7
155.03473	1.6
155.04613	12.2
155.11893	4.2
156.04918	1.2
156.05553	1.4
156.06654	11.8
156.10226	2.8
157.08766	1.3
161.02402	1.4
161.04562	2.1
165.10339	1.3
166.08722	7.9
167.03471	1.9
172.08041	6.7
173.04547	15.1
175.09641	1.5
177.01904	1.6
181.09964	7.6
181.13472	25.8
182.08263	2.7
183.11414	1.3
183.46722	1.2
191.05598	3.3
194.99373	3.1
199.09694	2.9
200.09273	1.7
207.11476	1.3
211.06186	1.5
219.02826	1.9
225.12474	27.0
226.09645	13.1
226.12833	1.7
227.10487	1.7
233.13019	2.7
237.03951	1.5
241.02881	12.4
241.10803	2.4
265.11960	1.2
269.11417	28.6
270.11670	2.9
277.11902	2.2
329.11777	17.5
330.12039	2.2
337.05853	2.3
355.02850	1.7
355.09634	9.7
373.03616	2.8
373.10742	100.0
373.14792	6.7
374.11026	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	372.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31052	1.0
59.01380	1.9
61.98832	100.0
69.53477	1.0
69.77365	3.4
69.77776	1.8
83.01380	4.0
85.02975	1.1
98.19899	1.6
100.31978	0.9
117.92359	1.0
136.05284	1.1
209.02994	1.6
230.10555	0.9
241.04407	0.9
248.49590	1.1
322.60507	1.0
372.15121	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	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79598	1.1
54.35553	1.1
59.01374	2.5
59.11439	1.1
61.98831	100.0
69.41338	1.1
69.77032	5.6
80.25681	1.3
81.80531	1.2
82.91306	1.2
83.01399	4.9
84.01675	1.4
112.69083	1.2
115.63560	1.1
121.02937	1.3
125.06256	1.1
128.52980	1.1
128.67294	1.4
133.44196	1.2
136.05299	1.5
169.04599	1.7
182.00854	1.2
196.59851	1.4
313.18140	2.3
331.18945	6.0
346.20786	2.8
372.15121	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	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50781	2.9
59.01377	5.4
61.98829	100.0
65.90377	2.8
68.96317	2.9
71.06821	6.7
83.01376	9.9
112.74274	3.2
120.90041	3.1
121.02932	3.3
123.40697	3.0
176.15648	3.2
371.88364	3.2
372.15140	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	371.2436
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
55.01873	0.4
57.03440	1.3
59.01379	2.5
60.99281	0.3
69.03449	0.4
69.26486	2.6
71.01368	0.7
73.02936	1.0
83.01382	4.3
83.05047	0.7
85.02956	2.4
87.04523	0.4
89.02439	0.3
93.03429	0.7
94.08398	0.2
95.05132	0.3
97.06592	0.8
98.46509	0.3
99.08130	0.3
101.02460	0.3
109.46605	0.3
111.08097	0.3
113.02501	0.3
113.06069	0.5
119.05070	0.3
121.02962	1.0
123.05779	0.3
123.08154	1.2
125.09717	4.3
127.11295	0.4
135.04520	0.4
136.05267	1.0
137.02367	0.3
137.09688	0.6
139.11298	1.1
141.09195	0.6
141.12831	1.0
143.10754	0.8
147.02989	0.3
149.07074	0.3
151.11305	0.6
153.09215	0.7
154.27451	0.3
155.10736	0.3
155.50833	0.3
163.11322	0.3
165.09167	0.3
168.04277	0.6
169.12318	0.7
171.10263	11.4
172.10612	0.7
173.04492	0.6
185.11862	0.3
191.01949	0.8
191.05571	0.6
200.10498	0.5
209.03015	3.2
209.06186	0.6
209.08174	2.1
215.12837	0.8
227.12863	0.5
228.13634	1.1
235.09743	0.3
288.39651	0.3
311.22275	0.7
323.22461	0.5
341.23318	7.0
342.23596	1.1
343.05157	0.3
353.23276	2.0
369.22885	1.0
371.15134	2.3
371.24353	100.0
372.24728	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	371.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94976	0.6
55.01878	0.7
58.99604	15.1
59.01378	7.0
70.82491	0.5
70.90974	0.8
70.91314	0.6
71.01390	1.2
71.12016	0.5
74.99100	2.6
83.01385	1.8
85.02944	2.5
87.00890	0.8
93.03464	1.4
96.90321	0.6
101.02458	0.9
102.41678	0.5
102.98598	100.0
103.98970	1.6
106.11200	0.5
108.10706	0.5
119.03525	0.6
120.99654	2.0
121.02962	1.6
125.02498	0.7
131.44002	0.5
136.05348	0.8
143.76932	0.5
155.18950	0.6
163.00723	6.5
173.04579	0.9
191.01982	0.5
191.05521	0.7
209.03027	2.5
281.37906	0.6
287.21262	0.6
371.14801	0.7
372.44391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1862
Annotation	(-)-7R-Cannabicoumarononic acid A
Peak:m/z	Relative Intensity
53.88885	3.9
57.03450	6.7
58.99343	3.5
59.01377	13.0
61.98830	52.1
67.01883	6.5
69.03465	13.2
71.01401	5.3
71.52008	5.5
73.02948	53.3
81.03459	8.9
83.00928	5.9
83.01394	73.5
83.25478	3.9
85.02954	36.2
89.02452	4.3
93.03448	6.0
95.01404	10.2
95.05022	7.7
97.02961	25.3
102.80877	4.7
105.71018	3.6
107.05021	14.8
109.02981	13.0
111.00854	6.1
121.02953	25.0
121.06593	5.8
123.00864	7.0
124.01669	52.5
125.02470	49.2
136.05318	22.5
136.49301	4.1
144.04541	4.8
144.76950	4.1
161.09714	20.3
165.09187	8.5
167.10808	9.2
168.04266	14.2
185.70274	3.6
191.01981	8.8
201.16527	54.2
202.16791	7.6
209.03055	33.6
209.08174	11.0
219.54745	4.1
227.17931	4.7
229.15820	7.8
233.66861	4.7
253.15900	4.7
265.71796	4.2
283.20221	6.4
309.18613	8.0
327.19592	96.8
328.20001	16.7
345.20688	100.0
346.20938	16.4
356.12622	7.4
371.14777	34.3
371.18738	77.0
371.24091	5.2
371.24982	3.8
372.15033	10.4
372.19104	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17232	0.3
56.43995	0.3
57.03439	1.1
58.99604	17.0
59.01380	5.6
61.98845	0.5
62.67751	0.3
69.03451	1.0
69.57806	1.4
69.58209	0.5
71.01376	0.9
73.02937	0.4
74.99089	2.3
83.01389	2.7
85.02948	2.1
87.00872	0.6
88.04037	1.7
93.03484	0.3
101.02499	0.3
102.98598	100.0
103.98952	1.6
113.02453	0.3
118.01448	0.3
119.04971	0.3
120.99628	2.0
121.02958	0.7
123.08179	0.4
125.02424	1.0
136.05319	0.8
137.02434	0.5
163.00706	7.4
165.09218	1.0
168.04292	0.4
171.10269	0.5
173.04587	0.3
179.03508	0.5
181.12334	0.5
185.00897	0.7
190.95941	0.3
191.01970	0.6
191.05571	0.3
195.26707	0.3
209.02992	3.7
209.08170	7.0
210.08636	0.5
217.57971	0.3
227.24541	0.3
341.23309	0.3
353.10101	0.3
371.15118	1.4
371.24429	6.5
372.15259	0.3
372.20218	0.5
372.24823	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Multifidol glucoside
Peak:m/z	Relative Intensity
57.03439	0.7
59.01380	100.0
60.01720	1.2
69.42124	3.8
69.42478	0.6
74.53310	0.5
83.01398	0.5
83.17774	0.5
88.42411	0.4
123.64672	0.5
147.46066	0.5
178.39268	0.5
245.18912	0.6
268.81854	0.5
305.41623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
55.01884	0.3
55.57849	0.2
57.03445	1.6
58.52863	0.2
59.01374	2.1
63.38795	0.2
64.47449	0.2
65.00356	0.7
67.01917	0.3
69.75201	0.2
71.01396	1.1
71.05036	0.4
75.00868	0.3
80.72719	0.2
81.03458	5.4
83.01391	2.9
83.01839	0.4
85.02950	8.7
87.00903	0.3
89.02497	0.3
91.39365	0.2
93.03465	0.5
95.05054	0.4
97.02978	0.5
98.19862	0.4
99.08146	1.4
101.02424	0.3
101.06102	1.0
102.98655	0.2
104.98185	0.4
109.02993	0.4
111.00854	0.5
113.02544	0.3
113.96494	0.2
121.02978	0.9
121.06596	0.3
123.04578	0.3
123.08154	2.8
124.01678	0.4
124.67872	0.2
125.02456	4.7
125.06083	5.6
125.09766	0.3
126.02828	0.3
127.07772	0.3
129.01939	0.8
135.37390	0.2
136.05295	1.7
137.02411	0.4
137.06111	0.4
139.04065	0.4
140.47643	0.2
141.09239	0.9
147.03027	1.0
147.08191	0.8
149.02467	1.3
149.06064	0.2
151.00406	0.9
152.01086	1.1
152.18567	0.2
165.09204	36.7
166.09538	2.1
167.07181	0.5
175.00423	0.7
175.07617	0.2
175.94630	0.2
177.09225	0.3
179.07137	0.5
179.10757	0.5
191.01949	2.3
191.07100	1.2
193.08667	1.0
205.08646	1.1
207.10121	0.6
209.03024	1.8
209.08183	100.0
210.08524	7.1
215.07086	0.9
221.08170	0.8
222.08961	0.5
223.09764	2.3
233.08179	26.7
234.08519	2.2
235.09778	0.5
243.14249	0.5
251.09221	11.1
252.09549	0.7
263.09225	3.2
275.09250	0.4
311.11328	1.0
327.16003	0.6
353.12305	0.6
356.12509	0.3
371.13446	11.1
371.24207	2.8
372.13989	1.3
372.17865	0.4
372.24802	0.4
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
57.03447	0.5
59.01377	0.5
63.02402	0.1
65.00320	0.7
67.01881	0.1
69.49295	0.5
69.49691	0.2
71.05033	0.1
81.03455	4.9
81.07118	0.1
82.03823	0.1
83.01379	0.9
93.03470	0.1
95.01394	0.1
96.82794	0.1
97.06590	0.1
99.08166	0.9
101.06091	1.0
105.03489	0.1
105.07085	0.1
107.01382	0.6
107.05058	0.2
108.02238	0.1
119.08710	0.1
121.06579	0.2
122.03726	0.1
123.08159	2.6
124.01646	0.1
124.08532	0.1
125.02446	5.2
125.06078	5.0
126.06436	0.2
135.04524	0.1
136.05289	0.7
137.06123	0.2
139.03986	0.1
141.09161	0.5
147.08147	1.1
148.08488	0.1
149.02440	0.5
149.06104	0.1
150.06813	0.2
151.00385	1.1
152.01103	0.3
165.09200	23.3
166.09541	1.5
167.03404	0.1
167.07123	0.3
191.07118	1.7
192.07487	0.1
205.08687	0.4
209.08179	100.0
210.08511	7.2
210.11487	0.1
233.08185	0.6
235.51616	0.1
251.09242	0.9
252.09535	0.1
269.06775	0.1
323.91815	0.1
357.64655	0.1
371.13446	1.0
372.14035	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	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
57.03444	5.2
59.01384	4.8
68.99812	0.7
69.03447	0.9
70.69833	1.6
71.01380	3.4
71.05013	0.8
72.99303	1.6
75.00861	1.7
81.03458	13.8
83.01389	5.8
84.02148	0.7
85.02951	22.6
87.00862	1.0
89.02441	1.9
93.03441	1.3
95.05038	4.6
97.02952	3.7
99.00892	0.7
99.04517	11.6
101.02465	1.2
107.05010	1.0
111.00912	1.6
111.04509	2.2
113.02456	0.8
121.02940	2.7
123.04543	6.3
125.02445	33.4
126.02791	1.6
129.01949	2.0
133.01453	2.1
135.04524	2.3
137.02460	5.8
139.04039	5.5
147.03026	1.9
149.06096	1.9
151.03993	0.8
165.01920	0.7
165.05611	0.9
167.03491	100.0
168.03868	4.7
173.04543	0.9
179.03458	3.8
191.01964	6.3
191.03479	1.1
193.05086	1.0
197.04538	21.5
198.04865	1.1
209.02995	26.5
209.04578	1.8
209.08235	1.5
233.30022	0.7
251.05580	24.1
252.05862	1.3
269.06723	1.8
281.06616	6.8
287.07718	9.2
353.08710	1.0
371.09796	26.0
371.14380	1.9
372.10025	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	371.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
57.03447	8.3
59.01379	7.3
67.78348	0.7
68.99809	0.9
69.78284	0.6
70.86181	1.4
71.01381	9.9
72.99300	2.7
73.02956	0.7
75.00881	2.7
83.01398	2.5
84.02158	1.5
85.02949	63.6
86.03281	1.6
87.00873	1.1
89.02459	4.0
99.00861	0.9
101.02474	1.0
103.00349	1.4
111.00883	3.2
115.00351	0.7
129.01950	4.6
133.01422	4.6
134.81367	0.6
135.04567	1.5
147.02979	4.5
164.31602	0.7
173.00922	1.9
179.03477	1.3
184.73141	0.8
191.01978	22.2
192.02258	0.9
209.03020	100.0
210.01479	0.7
210.03241	3.5
354.95523	0.7
371.06067	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	370.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.6
55.47016	0.6
56.74874	0.5
56.83473	0.6
59.01387	1.7
61.98831	100.0
69.16826	1.0
69.17229	5.1
80.58698	0.6
83.01392	6.6
85.02959	2.3
121.02959	17.7
131.34254	0.6
135.47496	0.6
136.05304	2.1
145.82680	0.6
168.04297	0.9
171.33371	0.7
179.03511	2.0
209.03049	2.0
209.08282	1.3
371.07678	1.6
371.14874	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	371.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
55.87009	0.5
56.70290	0.5
57.03447	7.2
59.01378	6.1
68.99820	0.7
70.67765	1.0
71.01379	9.3
72.99315	1.8
75.00867	2.1
83.01372	1.6
84.02166	1.5
85.02952	63.9
86.03320	1.2
87.00874	3.0
89.02450	4.3
93.55498	0.5
98.20567	0.6
101.02448	0.7
103.00381	2.1
111.00888	2.9
115.00312	1.0
129.01921	4.9
133.01425	4.0
135.04523	2.8
147.02992	4.9
173.00893	2.0
179.03474	1.6
191.01976	24.1
191.05617	0.9
192.02316	0.9
209.03018	100.0
210.03345	4.0
371.09677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.9
61.98829	100.0
63.62874	1.7
69.22958	16.4
82.20168	1.7
83.01385	15.3
85.02953	4.0
99.80315	1.9
121.02941	9.9
136.05327	5.8
168.04225	3.6
209.02942	5.0
209.08218	2.7
260.63681	1.9
281.34961	2.0
371.14862	8.2
371.18707	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	369.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.1
71.01381	2.1
71.52874	1.2
73.02934	1.1
74.39601	0.7
79.05541	3.6
81.03497	1.4
85.02959	1.2
99.04545	0.9
101.02464	0.9
105.03456	4.1
115.92818	0.7
121.02921	1.8
122.03710	2.1
123.04533	22.8
135.04553	0.9
147.08134	5.7
149.02451	7.8
149.09700	9.0
151.00420	0.8
163.07605	1.1
163.11288	5.2
173.04570	1.7
191.10927	0.7
193.01405	5.3
207.06648	4.0
207.10249	100.0
208.10603	7.3
219.10349	1.2
231.10287	2.3
237.11285	1.9
249.11311	1.7
279.12308	2.2
350.94009	0.7
369.15573	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	370.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
57.56335	0.3
59.01377	12.8
61.98829	100.0
71.01376	2.1
71.28951	0.7
72.99290	0.4
74.20582	0.4
83.01406	1.5
85.02946	2.6
89.02454	1.8
95.18115	0.4
101.02470	0.9
113.02462	0.6
119.03492	0.6
119.04954	0.4
120.05371	0.5
120.37939	0.4
127.07692	0.7
145.08742	0.9
146.08258	0.5
149.06113	0.4
153.09157	1.2
163.03970	0.5
164.04451	0.4
173.04535	1.1
191.02020	0.9
191.07138	0.5
191.87564	0.4
197.08266	1.6
209.02997	2.5
215.82764	0.5
223.04639	0.4
224.04802	0.5
242.50897	0.5
307.13965	3.6
309.99899	0.4
370.18930	0.9
371.13959	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.7
59.01385	2.4
60.99303	0.7
67.01570	0.4
67.01894	4.5
67.34349	0.3
69.03452	1.2
69.20279	0.4
69.20616	3.0
71.01388	3.6
73.02942	0.4
79.63435	0.3
81.03451	0.8
83.05014	1.3
83.24817	0.3
85.02951	1.2
87.00881	0.7
93.03456	28.4
94.03791	1.0
96.02157	0.3
99.00929	0.3
99.04521	22.8
100.04855	0.5
109.02967	1.1
111.00874	1.2
111.04520	4.4
113.02454	0.6
127.04015	0.6
137.02441	4.6
149.02452	0.3
155.03508	4.8
173.04541	100.0
174.04903	3.8
191.05594	0.8
193.01387	1.7
195.10181	2.1
241.12773	0.6
273.09933	0.6
369.11865	0.4
369.15656	4.6
370.16016	0.4
390.92554	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.4
60.15313	0.3
62.93363	0.3
69.03460	3.5
71.26442	0.3
71.51160	0.3
79.83782	0.3
82.03033	0.3
83.05016	1.3
85.02960	0.5
86.17208	0.3
87.00884	0.5
93.03465	1.9
97.02956	0.6
99.00878	0.9
99.04519	100.0
100.04852	3.2
106.35015	0.3
111.04517	2.3
129.01930	0.4
132.45381	0.3
137.02449	0.4
141.01898	0.5
146.47403	0.3
155.03543	2.3
170.05421	0.3
173.04547	5.2
185.00937	2.2
185.02388	0.4
191.05641	0.6
195.10262	15.2
196.10591	1.3
237.07860	0.4
273.09741	0.6
324.39636	0.4
369.11749	0.5
369.15646	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	369.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
59.15059	0.2
69.03465	0.6
69.22025	0.3
69.22373	2.1
71.01393	0.4
76.78918	0.2
79.05526	3.0
81.03454	0.7
82.02966	0.8
87.00894	0.3
98.20685	0.4
99.00844	0.3
101.06066	0.4
105.03463	4.2
106.03872	0.2
109.02952	0.4
121.02971	1.5
122.03745	2.6
123.04523	23.8
124.04041	0.4
124.04863	0.6
135.04488	0.3
137.02409	0.6
147.04547	1.0
149.02438	8.2
149.03639	0.4
150.03232	1.3
151.00410	0.3
161.06111	0.2
163.09885	0.3
163.11273	5.6
164.11667	0.2
165.01880	0.5
165.09236	0.4
167.03389	0.3
173.04599	0.3
174.80795	0.2
179.11107	0.2
185.00908	0.3
189.09145	0.2
193.01396	0.8
207.10246	100.0
208.10600	8.0
208.12607	0.3
221.11838	0.4
231.10255	2.1
237.12401	0.6
249.11334	1.2
261.11353	0.2
279.12354	0.2
281.11380	0.7
369.11539	0.4
369.16205	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	369.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28534	0.3
57.03450	1.7
59.01381	1.6
61.98833	0.7
65.65488	0.3
68.99834	0.4
69.03458	1.2
71.01379	1.5
79.05531	4.0
80.36011	0.3
81.03460	9.7
81.85858	0.3
82.13396	0.3
82.98529	0.3
83.01409	0.8
85.02962	2.4
89.02468	0.3
93.03470	0.6
93.34057	0.3
98.19867	0.9
101.06080	8.5
105.03450	0.4
111.00926	0.5
119.05036	1.2
122.03697	0.5
123.04527	100.0
124.04852	4.8
127.00427	0.7
129.01900	0.5
133.02930	1.5
135.04524	0.3
137.06100	0.9
139.11288	7.5
147.04549	3.2
149.02438	1.3
155.72916	0.3
163.04024	1.7
163.11293	6.6
164.11566	0.7
165.05573	1.8
173.00984	0.4
173.04573	0.5
185.00865	0.4
189.05534	0.9
191.01978	1.2
193.01413	1.3
207.10255	65.8
208.10587	5.6
223.04541	1.0
223.06364	0.5
231.10312	1.5
232.10583	0.6
272.52231	0.4
284.03247	0.7
285.04025	1.2
297.04062	3.8
298.04819	1.2
325.03720	0.5
341.06741	1.2
342.06888	0.4
369.06155	6.7
370.06494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28764	1.1
55.01880	7.8
57.03448	17.0
58.02987	1.7
59.01381	24.6
61.98833	32.6
64.61353	1.1
67.01882	1.3
68.99827	2.8
69.51474	3.6
69.51897	5.1
71.01384	43.7
72.99313	9.7
73.02937	2.2
74.78277	1.2
75.00880	3.2
83.01391	41.6
84.01727	1.5
84.02184	4.1
85.02954	100.0
86.03294	1.9
87.00873	5.7
89.02457	9.8
93.03464	3.4
97.02951	1.5
99.00889	4.9
101.02450	4.4
103.00396	2.2
111.00887	29.0
111.01659	1.6
112.01285	1.4
113.02444	3.5
115.00378	7.6
115.03996	2.1
117.03465	4.0
119.05032	72.4
120.05375	4.0
123.04541	1.8
125.02454	4.7
129.01947	42.6
133.01448	5.8
133.02858	1.5
137.02490	1.8
137.09764	1.5
143.03513	15.6
145.02950	26.9
146.03247	1.3
146.08243	2.6
147.02968	4.4
147.04491	2.9
153.78456	1.3
154.99869	7.0
163.04012	84.3
164.04359	5.9
173.00911	45.0
173.04535	2.6
174.01692	6.3
185.06038	2.8
187.02467	2.7
187.04056	1.7
187.07739	1.4
191.01976	51.4
192.02377	1.8
193.01358	1.5
203.07159	4.9
205.03510	3.9
207.10344	2.5
223.04572	39.1
224.04971	2.1
231.06624	12.2
247.54942	1.2
289.07068	1.3
307.13959	2.1
308.18680	1.6
309.09790	1.3
319.04483	3.0
337.05695	5.2
369.11859	9.0
369.19266	2.5
370.18903	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	369.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.5
67.01875	1.1
69.03456	100.0
70.03795	1.8
71.01391	1.7
72.99313	2.2
79.01894	7.4
79.02317	0.6
85.02948	1.4
88.86653	0.4
93.93648	0.5
95.01388	3.3
97.02955	16.3
98.03264	0.4
99.00880	24.1
99.04516	1.3
100.01231	0.9
110.18964	0.4
113.02478	0.4
123.00899	1.2
141.01936	13.9
142.02214	0.5
183.10260	0.9
185.00909	60.5
186.01253	2.1
369.11856	20.9
370.12183	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	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.6
57.03450	15.0
57.44882	0.7
58.00597	1.1
59.01381	12.9
61.98832	7.2
64.33482	0.7
68.99806	1.4
69.03468	0.9
71.01379	14.7
71.52745	1.0
72.99307	5.5
73.02944	1.3
75.00873	3.7
83.01388	16.6
84.02180	2.8
85.02952	100.0
86.03289	1.8
87.00887	2.4
89.01959	0.7
89.02427	4.8
93.03455	2.8
99.00885	2.2
101.02425	1.0
103.00373	2.6
111.00178	1.0
111.00887	13.6
113.02456	2.2
115.00372	2.9
117.03458	1.7
118.12414	0.7
119.05027	23.6
120.05367	1.8
123.04574	1.0
125.02409	1.5
129.01955	19.3
129.02843	0.7
131.03545	1.4
133.01428	2.7
134.03741	1.2
137.02446	2.0
143.03506	7.2
145.02948	8.9
146.03331	0.9
147.03004	7.4
154.99902	1.6
163.04013	25.5
164.04376	1.6
173.00911	18.5
173.04572	4.3
174.01569	1.2
175.05014	1.3
179.29565	0.8
191.01970	56.8
192.02324	2.2
193.05048	1.0
203.07043	0.9
205.03563	1.7
223.04587	43.1
224.04933	2.5
231.06619	3.4
319.04456	1.5
337.05664	5.3
355.72781	0.8
369.08136	2.2
369.12076	1.6
370.23254	1.1
372.00742	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01448	1.0
51.49280	0.9
55.01876	4.1
57.03448	18.9
58.68345	1.0
59.01371	4.1
61.98822	1.9
62.76623	1.0
67.95720	0.8
68.99815	1.1
71.01389	8.3
72.99304	2.8
73.02959	3.0
75.00863	1.9
79.75979	0.9
81.03443	1.2
83.01392	10.3
84.02155	2.4
85.02951	100.0
86.03284	3.0
87.00867	2.5
93.03448	3.4
101.02448	7.0
101.61152	1.0
105.03448	2.1
109.02937	1.3
111.00890	28.0
111.04581	1.3
115.61629	0.9
119.05030	11.9
123.04556	5.5
125.02466	2.4
129.01944	38.8
131.12212	1.0
133.02989	6.5
142.71638	0.9
145.02908	1.7
147.03006	1.7
147.19373	1.1
151.03979	4.5
161.04562	3.4
163.04016	10.7
173.04552	4.0
177.01936	2.7
187.02504	1.1
191.02020	3.1
191.05566	5.5
193.01314	2.5
195.02982	2.9
205.03534	27.1
205.05453	2.1
223.04587	57.1
224.04915	2.2
369.08234	1.6
386.86172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.5
57.03200	1.1
57.03449	14.0
59.01376	8.0
67.01871	1.0
69.53566	5.5
71.01382	7.6
72.99283	1.8
73.02934	1.8
75.00871	2.8
83.01384	9.5
84.02166	2.2
85.02950	70.4
87.00864	1.5
93.03445	1.9
101.01868	0.9
101.02461	5.9
103.00375	1.2
103.04005	0.9
111.00888	28.5
112.01225	1.3
119.05045	6.5
129.01941	26.5
133.02913	1.3
134.03728	3.2
136.04150	0.8
145.03041	1.1
147.02960	2.3
161.04553	1.4
163.04073	4.7
173.04578	6.2
187.02486	2.5
191.05589	1.8
193.04993	1.7
194.05331	1.4
195.05527	1.6
205.03531	29.4
206.03838	1.4
223.04579	100.0
224.04872	3.9
369.02765	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	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.5
57.03449	12.3
59.01377	6.5
69.71486	2.9
69.71912	2.8
71.01380	6.4
72.99297	1.9
73.02939	0.9
75.00874	3.2
75.48184	0.8
83.01394	7.4
84.02165	1.8
85.02953	71.9
86.03267	2.0
87.00883	1.8
93.03458	1.6
96.96034	1.5
98.20551	1.2
101.02430	5.1
103.04038	1.1
111.00887	28.9
113.39822	1.0
119.05032	7.8
129.01959	20.4
131.50304	1.1
141.01968	1.0
143.03496	1.8
145.06567	1.3
147.02969	3.5
161.04555	1.8
163.04012	6.4
173.00896	1.8
173.04543	3.8
174.04910	1.4
175.04997	1.3
187.02534	1.6
189.05603	1.4
191.02036	4.4
205.01649	1.7
205.03520	26.2
223.04582	100.0
224.04922	3.6
290.87488	1.0
300.82141	1.0
369.07623	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.5
61.98827	100.0
86.11137	2.4
151.92897	2.3
170.00838	2.6
173.04597	2.2
199.43697	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
55.71033	0.7
59.01380	100.0
60.01697	1.1
61.98831	4.2
69.20580	5.5
71.01380	13.2
72.99363	0.6
73.02946	3.8
75.00925	0.7
83.01392	1.3
85.02962	6.9
87.00912	1.1
89.02468	2.9
93.03464	2.5
95.01422	1.0
99.00904	1.8
101.02448	11.1
113.02457	4.7
117.03473	0.9
119.05029	1.0
125.02524	0.7
133.31903	0.6
134.03738	8.6
137.02480	0.8
143.03535	0.8
155.71220	0.7
159.03070	1.7
161.04556	18.5
173.04530	5.9
177.32425	0.7
191.05510	0.9
191.97701	0.6
193.05043	9.8
305.10321	0.7
307.17630	31.2
308.18042	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	367.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21267	0.7
59.01343	1.2
61.98832	1.8
70.58501	1.5
70.58871	1.7
70.62962	0.6
71.19726	0.8
95.12294	0.8
133.06590	2.4
133.09706	0.8
136.89426	0.7
149.09718	76.1
150.10037	3.8
205.13933	1.2
205.15968	78.2
206.16240	6.8
367.26401	100.0
368.26770	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	367.264
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
56.20369	0.5
57.42233	0.6
59.01358	0.5
61.98827	1.8
69.86039	1.4
69.86430	1.1
98.20604	0.6
127.15882	0.6
133.06593	9.1
149.09715	81.5
150.10054	4.8
205.15961	48.0
206.16339	3.7
295.17090	2.9
296.17557	1.1
322.05795	0.5
328.16779	1.4
367.26389	100.0
368.26758	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	368.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
57.98977	0.3
59.01370	0.6
60.36510	0.3
61.62967	0.3
61.98830	100.0
70.63690	0.8
70.64046	0.4
75.16944	0.3
77.96685	0.3
80.96068	0.3
85.02962	1.5
109.02960	0.4
118.94125	0.3
125.02489	2.8
129.02000	0.4
131.25768	0.3
134.03772	1.1
135.04105	1.0
137.02443	0.7
139.04010	0.7
165.01915	0.7
167.03493	0.8
173.04424	0.5
179.03500	1.0
193.05055	1.0
194.05396	1.5
205.03484	0.5
219.06696	0.4
223.04681	0.8
261.07681	0.4
286.46924	0.4
305.06647	5.5
306.06860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.3
57.03439	13.1
59.01381	24.2
60.73969	4.8
61.98822	22.6
69.23111	11.5
69.23517	33.4
71.01374	7.5
74.47491	5.8
75.15681	5.0
83.01374	10.9
93.03462	11.9
95.60074	5.2
97.02942	6.3
101.02457	5.3
109.02984	8.9
124.29877	5.0
125.02440	35.2
134.03711	8.1
137.02455	46.2
146.03780	6.3
151.03978	11.4
163.04063	5.6
164.01140	39.8
165.01898	34.5
172.05292	7.0
173.04552	25.3
175.07552	6.4
177.01892	18.7
179.03458	6.0
189.09016	6.1
190.02715	13.3
193.05043	13.9
200.04810	5.5
229.08539	24.8
281.11734	7.9
323.12869	30.3
325.10748	5.8
367.07571	8.3
367.11826	100.0
367.16043	10.2
368.12213	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	367.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	7.5
59.01375	11.7
61.98821	2.6
64.64113	1.6
67.01884	2.4
69.25386	11.6
71.01365	2.7
74.99048	1.4
79.95800	1.4
81.03452	1.5
83.01388	4.0
83.05063	1.4
85.02955	1.6
93.03455	11.4
96.71326	1.3
97.02952	3.3
107.04987	3.0
108.02166	1.5
109.02965	4.7
111.04585	1.6
113.02476	1.7
115.94044	1.3
119.05053	2.3
120.99664	2.4
121.02934	3.0
124.99805	1.3
125.02450	29.1
126.02799	1.5
131.66165	1.4
134.03697	4.8
135.04523	3.6
137.02441	46.5
146.03719	5.7
149.06049	3.3
151.04016	5.8
153.71056	1.4
163.00400	1.9
163.03943	2.2
164.01152	37.8
165.01921	39.9
172.05305	4.1
173.04549	22.2
173.06041	4.7
174.03299	1.5
174.04868	2.3
175.07620	3.6
177.01936	16.7
179.03474	5.9
185.06091	2.1
186.06763	1.7
187.07640	5.4
189.09239	6.9
190.02670	10.7
191.03476	3.2
191.05495	2.3
193.05078	3.7
199.03688	1.3
200.04782	4.3
201.09216	5.4
203.10822	1.5
212.04771	3.3
226.06256	2.3
229.08722	25.2
230.09081	1.8
239.10872	3.8
241.08592	3.7
251.07112	2.3
251.84866	1.4
252.07785	4.0
254.06015	1.6
257.11780	4.4
265.04880	1.6
265.08667	1.8
270.08981	3.6
281.11823	8.2
283.09717	3.8
294.08951	4.2
295.09531	1.9
297.11124	2.1
299.12894	8.2
323.12866	26.2
324.13364	2.6
349.10727	2.6
367.11813	100.0
368.12207	13.6
368.16449	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	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42224	0.4
57.03447	1.0
59.01369	3.1
60.99303	0.6
61.98795	0.4
67.01892	5.2
69.03464	0.8
69.29197	3.4
71.01374	3.5
74.17619	0.4
74.42218	0.4
81.03445	0.8
83.05017	0.9
85.02968	1.4
87.00892	0.8
89.03970	0.6
89.35475	0.4
93.03460	28.0
93.31745	0.4
94.03799	1.0
109.02974	0.9
111.00871	1.1
111.04523	5.8
111.72491	0.4
113.02416	0.6
117.03475	2.3
127.04040	0.8
134.03743	25.4
135.04062	0.8
137.02446	4.6
149.06085	1.4
155.03511	4.3
173.04544	100.0
174.04921	4.4
191.05611	4.9
193.05052	14.4
194.05403	1.0
249.11955	0.4
342.97540	0.4
367.10406	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	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19714	0.3
57.03431	1.3
57.73465	0.3
59.01112	0.4
59.01382	4.3
60.99306	0.6
61.98821	1.3
64.00211	0.4
67.01891	4.8
69.03451	1.2
71.01383	3.3
71.53757	0.5
73.02968	0.4
74.46069	0.3
74.48192	0.3
81.03442	1.0
83.01378	0.6
83.05014	1.1
85.02950	1.1
87.00903	0.6
89.03959	0.4
89.46445	0.3
93.03458	26.9
94.03796	0.7
94.87889	0.3
100.30157	0.3
101.02457	0.4
101.57344	0.4
108.02167	0.4
109.02956	1.4
111.00919	0.8
111.04519	5.0
113.02455	0.9
117.03484	2.0
117.98425	0.3
119.05045	0.5
121.03011	0.4
125.02435	1.3
127.03972	0.6
134.03741	21.6
135.04091	1.0
137.02449	6.0
145.02934	0.4
149.06075	1.3
149.09711	0.5
155.03500	4.2
163.03972	0.4
164.01141	1.2
165.01912	2.1
172.05307	0.9
173.04546	100.0
174.04890	4.3
177.01913	0.6
178.02654	0.4
179.03586	0.6
187.07626	0.4
191.05620	2.4
193.05054	15.5
194.05428	0.8
201.09209	2.1
221.25665	0.3
229.08682	0.9
258.64804	0.4
307.17709	0.4
367.11301	3.6
368.11716	0.8
383.88165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1184
Annotation	LMPK12110897
Peak:m/z	Relative Intensity
59.01382	5.7
61.98835	5.5
64.43513	1.3
65.03960	10.0
71.01377	1.4
71.01786	1.4
71.22282	2.6
80.96494	1.7
91.01891	22.5
93.03448	1.3
96.96058	2.3
102.15276	1.2
107.05025	9.1
109.02956	12.6
121.02898	1.6
131.31537	1.5
133.02934	1.4
134.03761	3.4
135.00893	28.3
151.03998	61.9
151.07590	2.0
152.04338	3.2
153.01932	17.2
154.02211	1.8
159.04515	5.9
172.05264	9.2
173.04572	2.4
173.06036	3.4
175.90714	1.7
179.03458	6.4
187.04091	8.6
187.07634	100.0
188.07964	8.5
193.04953	1.9
200.04796	1.8
201.05542	10.6
202.06332	21.2
204.04280	3.6
215.07147	20.5
216.07617	1.6
231.10274	17.0
232.10530	1.9
247.13223	1.5
323.09225	36.0
323.22327	3.4
324.09424	2.9
332.55963	1.6
349.10742	1.7
351.87039	1.5
362.96048	1.4
367.07581	2.8
367.11838	34.7
368.12149	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1032
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
52.88609	0.5
55.35363	0.4
58.08399	0.4
59.33307	0.4
69.03487	0.4
69.62392	2.8
71.01360	0.5
83.05052	0.8
89.03984	1.4
93.03471	2.5
111.04513	2.3
117.03460	7.4
134.03743	82.2
135.04074	3.4
137.02483	0.7
149.06079	5.8
153.31686	0.5
155.03488	3.0
173.04544	7.0
174.04579	0.4
178.02748	0.5
191.05652	4.1
193.05049	100.0
194.05356	5.9
209.88617	0.5
367.10291	8.3
368.10675	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18435	0.4
51.06487	0.4
57.03444	1.0
59.01386	2.4
60.99298	0.9
61.90150	0.4
67.01891	4.3
69.03434	0.7
70.27342	1.0
70.27728	0.9
71.01393	2.9
75.81505	0.4
81.03472	1.1
85.02953	1.1
90.01583	0.4
93.03458	26.6
94.03805	1.3
98.19999	0.5
99.00888	0.7
107.27528	0.5
109.02932	0.9
110.14909	0.4
111.00944	0.7
111.04521	5.3
113.02507	0.6
117.03478	1.2
127.03973	0.5
133.15685	0.4
134.03748	23.0
135.04099	1.0
137.02463	5.4
149.06070	2.0
155.03519	4.7
173.04555	100.0
174.04903	5.0
191.05627	4.2
193.05058	14.8
194.05362	1.3
367.10349	3.2
368.10718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
58.89550	0.6
59.01375	2.3
60.99293	0.8
67.01891	5.6
69.03447	1.5
70.39095	0.6
71.01382	3.4
71.26212	1.3
81.03451	1.2
83.05026	1.0
85.02972	1.0
87.71559	0.6
89.03996	0.8
93.03454	33.2
94.03788	1.3
109.02955	1.1
110.43253	0.6
111.00864	1.2
111.04506	4.6
117.03463	2.5
134.03745	24.8
135.04117	1.3
137.02458	4.7
149.06075	1.3
155.03520	4.8
155.04747	0.8
173.04539	100.0
174.04875	4.8
190.03024	0.7
193.05046	16.1
311.84460	0.6
333.65048	0.6
367.10303	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	365.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98836	72.1
65.55277	66.5
112.91921	58.1
169.41505	60.8
192.34406	65.4
198.71794	64.0
243.53851	71.1
365.78992	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
63.09611	84.9
63.65800	60.6
72.79499	79.1
84.33596	82.4
149.76727	65.1
177.17671	84.3
229.77824	84.4
265.36255	62.4
346.15872	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05588	0.6
57.03444	2.0
59.01386	3.9
61.98832	100.0
71.01404	0.8
75.15190	0.7
83.01392	1.0
85.02965	0.6
91.87375	0.9
93.03478	1.9
98.20693	2.4
119.05042	1.3
123.04524	0.7
125.02451	20.6
134.03755	2.7
149.02446	0.9
149.09776	1.1
151.00383	2.1
151.04105	1.4
152.01144	1.4
153.01962	2.9
155.03510	0.7
161.02489	0.9
173.04579	3.1
174.03302	0.9
175.04022	2.7
176.71490	0.7
177.01949	3.2
178.99916	1.8
181.01608	0.8
189.05655	1.1
191.05617	1.9
193.05034	3.3
199.04042	1.3
217.05107	1.6
229.93071	0.7
241.05209	1.0
275.05695	1.6
285.04074	13.7
286.04285	0.8
303.05103	15.9
304.05362	1.8
366.19949	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	366.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56438	0.4
57.03423	0.5
59.01380	3.4
59.70627	0.4
61.98829	100.0
69.13026	0.4
69.35043	3.5
70.90881	0.5
71.01402	0.6
72.99317	1.0
81.57261	0.5
83.01405	0.8
93.03455	1.6
98.20618	0.7
99.00857	0.5
112.98833	1.2
116.73420	0.4
125.02442	1.7
134.03754	1.0
137.02454	3.1
139.07671	0.5
142.99892	0.6
151.04016	0.9
153.05600	0.9
163.03928	0.5
164.01167	3.1
165.01944	3.0
173.00967	1.1
173.04584	2.0
173.05959	0.5
174.01691	1.7
175.07803	0.5
177.01950	0.9
179.03612	0.5
186.37219	0.4
187.07697	0.8
190.02728	0.8
193.05168	1.2
195.78052	0.4
223.84113	0.4
229.08719	1.9
288.12332	0.5
299.12842	0.5
306.13608	1.6
323.12869	1.0
366.15698	1.4
367.11813	7.5
367.15900	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02302	15.4
55.49642	14.2
55.50345	13.9
59.01372	50.7
61.52547	16.4
61.98819	51.9
66.04426	15.3
71.01360	18.3
71.54169	25.6
92.93562	15.2
127.00314	16.7
137.68463	15.2
167.10767	50.8
210.68661	17.9
215.87123	15.3
243.93663	17.5
281.04782	16.8
314.48788	15.1
327.21863	100.0
329.22369	17.1
335.54526	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
59.01381	100.0
60.01720	0.9
61.98833	22.5
69.24281	3.9
71.01403	1.4
73.02959	0.5
85.02949	0.7
87.00877	0.7
89.02497	0.7
93.03458	0.5
101.02457	0.8
111.19570	0.4
113.02431	0.5
119.05050	1.1
145.02917	0.5
163.04012	1.0
169.75729	0.4
173.04550	0.7
188.22658	0.4
302.04199	0.6
306.13611	1.5
365.19821	1.1
366.15533	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40484	0.5
59.01378	100.0
60.01715	1.3
61.98832	1.3
69.03468	1.2
69.43269	1.4
69.43688	2.1
71.01379	0.5
85.02977	1.1
93.03434	0.7
95.10657	0.5
96.96050	0.8
113.02461	1.5
119.05013	0.6
123.04535	2.6
124.50124	0.5
133.02914	0.5
135.04555	0.7
157.01474	4.2
163.11345	0.9
165.09132	0.6
191.05560	0.6
207.10220	3.6
219.10275	1.8
233.11861	0.7
246.09140	0.8
259.09738	3.6
277.10898	0.7
285.04080	2.8
303.12335	1.1
321.13266	2.8
364.99692	0.9
365.04367	0.6
365.12436	1.4
366.08362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.6
59.01366	5.7
71.01379	16.5
72.99293	5.6
83.01393	3.8
85.02954	15.7
87.00865	5.7
92.28410	2.4
93.03455	3.5
93.51460	2.2
96.96013	12.3
99.00874	13.7
101.02421	3.0
111.00881	8.1
111.04507	13.5
112.98807	38.2
115.00370	2.7
119.05011	9.6
120.99665	21.1
129.01938	5.7
129.05542	3.2
134.85504	2.2
142.99844	30.3
155.03462	17.9
159.02942	2.7
173.00925	40.9
173.04539	25.1
175.02458	2.6
191.05605	100.0
192.05945	5.3
261.80099	2.6
364.99985	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	365.0877
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
55.85298	1.3
57.03436	3.4
59.01383	10.4
61.07684	1.4
69.72548	5.3
69.72961	3.9
69.98678	1.4
80.27935	1.7
85.02920	1.9
93.03465	1.5
93.72604	1.3
96.96043	1.8
109.02942	1.5
119.05004	4.8
125.57228	1.4
129.01987	10.9
145.02934	2.3
158.03745	13.8
159.04485	4.4
163.04002	4.1
173.04544	2.5
173.59583	1.5
185.06136	1.4
201.05557	1.9
202.02719	100.0
203.03221	9.6
213.05685	1.8
305.11139	1.8
329.07147	1.7
365.08713	55.5
365.12778	2.1
366.09106	6.2
389.13049	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.8
59.78932	0.7
61.98830	100.0
64.54561	0.9
65.19025	0.7
69.33162	0.7
69.78455	3.2
71.45066	0.7
71.91496	0.7
88.89452	0.7
101.65731	0.7
102.99349	0.7
111.33724	0.7
127.95299	0.7
158.44615	0.7
160.91940	0.8
166.77803	0.7
187.35493	0.7
200.34004	0.7
215.16490	0.7
351.26443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61005	0.6
59.01373	2.2
61.98830	100.0
86.62672	0.6
116.24146	0.6
183.13951	1.1
200.84634	0.6
207.09998	0.6
233.90001	0.6
238.37907	0.6
278.52414	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	92.1
60.01708	13.4
60.76655	3.3
61.01802	7.3
61.98825	85.1
71.51697	4.9
95.79004	3.7
158.73560	3.5
219.06996	11.8
220.07140	13.9
288.13550	13.1
302.16571	7.6
303.16522	11.8
304.16571	100.0
305.16510	5.2
328.64438	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	364.9634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18373	0.4
54.99503	0.4
59.01377	2.5
61.98828	100.0
63.99247	0.4
65.05618	0.4
68.96484	0.4
70.09862	1.9
80.91705	0.5
111.22028	0.4
117.70805	0.4
135.95644	1.3
180.94151	9.2
189.99225	0.5
195.92940	0.4
199.51471	0.3
203.02274	0.5
206.97437	5.1
219.97719	1.6
220.97774	0.6
220.99767	2.0
222.95192	77.2
223.95268	1.0
223.97237	0.9
263.43011	0.4
322.95459	0.5
364.96503	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.254
Annotation	ent-15-Acetoxy-7,13-labdadiene-2alpha,3alpha-diol
Peak:m/z	Relative Intensity
59.01379	100.0
60.51926	1.2
61.98827	1.4
62.74349	1.4
70.58897	1.3
70.59246	3.3
96.26674	1.1
195.84833	1.3
259.51306	1.2
269.23239	1.2
334.17923	1.4
365.41919	1.3
371.28458	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98285	1.7
53.88066	1.6
59.01381	3.1
61.98830	92.1
63.02411	2.7
65.00321	4.8
68.04816	1.5
68.81468	1.5
69.02450	1.6
69.92166	7.5
76.50449	1.4
80.74167	1.5
83.01379	3.6
87.59650	1.4
107.01397	10.8
109.02986	2.1
121.02947	13.5
123.04539	4.7
135.04520	2.1
141.86774	1.8
151.00368	40.6
152.99597	2.4
161.06151	4.0
178.99875	15.5
201.99327	1.6
207.10199	8.1
219.10243	8.1
255.03139	1.9
277.14398	4.8
285.04086	2.2
301.03531	100.0
302.03802	10.0
317.11508	1.9
321.13388	11.8
365.12546	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	364.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.2
61.03862	0.6
61.98829	100.0
63.99253	0.6
71.01382	2.4
71.51987	0.7
71.83090	0.5
73.02979	0.8
78.76292	0.5
78.95933	0.6
87.00884	0.7
89.02452	1.8
90.02812	0.5
96.96010	0.8
101.02464	1.6
113.02457	0.7
119.05061	0.7
120.99638	0.9
125.02470	0.7
137.34529	0.5
191.05612	0.7
192.49149	0.6
245.04761	0.6
248.86475	0.6
249.86301	0.5
249.98555	0.9
335.90149	0.6
364.13199	3.1
365.13870	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.9892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34665	0.3
54.05043	0.3
59.01379	7.0
60.01718	0.3
61.98829	100.0
69.88142	0.7
69.88558	1.0
73.44088	0.4
79.30695	0.4
95.52842	0.3
106.26079	0.3
151.37520	0.3
174.99205	0.3
177.78714	0.3
177.96674	0.8
178.98572	0.7
201.02527	0.7
203.02359	0.5
203.99969	4.4
204.02762	0.6
217.00319	1.9
218.00674	2.5
219.00385	0.5
219.97749	54.7
220.97746	0.6
220.99886	2.1
356.10901	0.3
361.98865	1.7
371.27170	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22179	0.5
50.51590	0.5
59.50336	0.5
61.43792	0.6
61.98830	100.0
68.55925	0.5
70.64777	0.8
70.65123	1.2
73.46707	0.5
87.06175	0.5
115.99162	0.6
140.94641	0.5
227.00032	0.6
256.03912	0.6
278.74203	0.7
284.03320	2.2
299.05630	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	362.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
61.98832	100.0
63.30592	1.3
71.29979	2.3
71.30321	1.3
83.84295	1.2
101.47660	1.2
125.24976	1.2
152.99588	3.1
299.09210	2.5
347.75845	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.1
59.01379	100.0
60.01707	1.4
61.98834	2.0
64.04177	1.3
71.00761	3.0
71.01381	23.1
72.99308	14.3
73.02950	6.1
75.00879	2.1
83.01376	2.6
85.02948	9.8
87.00869	3.3
89.02445	14.7
93.03437	1.5
96.95998	2.9
98.95592	4.5
98.96400	1.5
99.00872	3.2
101.02448	16.9
108.74716	1.7
111.00882	1.6
111.04503	1.6
112.98777	4.7
113.02441	7.4
115.00391	3.2
117.01929	2.7
119.03519	4.5
119.05013	6.7
121.06556	1.8
123.08167	2.3
125.02458	1.9
131.13776	1.4
135.04549	2.0
137.06088	3.0
139.07707	3.1
142.99786	2.0
147.04514	25.5
149.06064	1.4
153.05545	5.8
161.04536	6.4
163.04022	7.0
165.05515	1.7
167.07147	7.1
173.00909	7.6
173.04590	2.2
174.01683	48.0
175.02350	5.9
183.10217	2.6
201.11197	2.0
211.06107	9.4
271.08191	10.2
281.81052	1.4
289.07202	2.0
327.10721	3.5
363.09351	4.2
363.12750	1.9
363.16559	28.7
364.16827	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	361.236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23138	0.7
59.01381	18.6
61.98826	1.3
69.51782	0.8
71.51539	1.3
95.08644	0.8
116.99422	1.0
200.85455	0.8
216.98253	0.9
218.23633	0.9
221.86955	0.9
279.23279	100.0
280.23618	13.3
361.23584	25.0
362.23904	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	361.2383
Annotation	Flaccidoxide
Peak:m/z	Relative Intensity
54.29177	0.6
59.01380	88.9
60.01702	1.1
61.98853	0.9
70.36758	1.7
71.01418	0.7
73.02958	1.4
83.05044	2.3
87.04503	1.1
98.20013	0.7
115.04945	0.6
121.06600	1.6
123.08167	4.2
123.98773	0.6
134.07359	0.9
139.07631	1.4
152.26155	0.6
157.40508	0.6
175.11433	0.7
175.14905	2.5
221.77849	0.7
250.46799	0.6
253.19681	1.2
269.19092	8.9
271.20743	3.4
281.19171	2.4
287.20178	2.3
289.21747	10.4
290.21960	1.3
299.20163	1.9
319.22766	100.0
320.23108	10.9
333.20654	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	361.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24702	2.2
59.01379	100.0
61.98824	2.1
70.42254	6.0
316.34003	1.8
322.94028	1.8
361.20203	10.5
384.13541	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67472	1.0
57.02173	0.8
57.03444	1.3
59.01376	22.2
60.99322	4.8
61.20562	1.1
61.98829	27.4
64.27218	0.9
67.01890	9.9
69.03441	5.7
71.01375	11.9
71.53546	1.5
73.02951	1.8
81.03447	2.5
83.01394	1.4
83.05004	2.2
85.02948	5.7
87.00876	22.1
88.98795	1.9
89.02441	4.8
93.03458	89.8
94.03779	2.4
99.00880	2.4
99.04546	2.4
101.02426	5.8
109.02957	1.5
111.04528	13.8
113.02442	13.7
119.03491	2.4
119.04960	2.3
121.65999	1.3
122.62698	1.1
125.02451	1.7
129.01920	3.5
130.54837	1.1
137.02409	1.4
143.03430	1.5
145.02931	2.8
152.92279	1.0
155.03496	3.0
163.04012	2.7
168.04291	3.0
173.04550	44.2
174.04837	2.5
185.11845	3.0
187.13380	22.9
188.13753	1.6
191.05626	6.9
199.13460	4.8
209.11858	1.4
223.18869	1.0
229.14453	1.8
263.26581	1.2
280.09396	2.4
280.59665	1.4
283.48502	1.1
284.03345	2.6
299.05640	2.0
361.18661	100.0
361.22040	3.8
362.19052	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	361.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	26.2
56.73400	0.9
57.03444	2.4
59.00668	0.7
59.01386	6.0
61.98827	1.5
62.97247	0.8
64.04659	0.7
64.05081	0.7
65.28873	0.7
69.81780	0.8
70.13538	0.8
71.01381	4.3
71.01874	1.4
75.00866	5.4
82.26398	0.8
85.02958	11.2
86.03320	2.2
87.04501	0.9
89.02467	2.8
89.63576	0.9
101.02452	3.3
101.84365	0.9
128.12483	0.8
129.01956	40.6
130.02309	2.2
147.02992	24.4
165.04082	2.8
165.12776	1.0
183.13910	17.8
191.02043	1.8
195.13931	14.4
203.24850	0.9
211.13443	1.7
213.14963	100.0
214.15327	8.1
227.12993	1.2
229.14462	3.7
361.18692	34.3
361.29413	6.1
362.19055	2.9
362.29837	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	361.1504
Annotation	Gibboside
Peak:m/z	Relative Intensity
57.03450	0.5
59.01385	7.1
61.71624	0.4
64.02714	0.4
69.03443	0.4
69.81785	2.0
71.01379	3.1
73.02956	1.9
78.37386	0.4
83.05029	0.8
83.62715	0.5
85.02967	1.8
87.00914	0.7
89.02465	1.5
93.03474	1.4
95.01395	0.7
96.46669	0.5
101.02438	1.2
113.02459	3.2
115.83199	0.5
119.05048	1.0
131.03604	0.5
137.02531	0.5
137.09731	9.1
151.11241	0.7
155.10779	85.4
156.11127	4.2
163.02533	1.0
163.03926	1.0
169.08600	0.5
169.12352	1.9
173.04616	1.4
179.10767	1.2
181.08650	2.0
185.11957	0.5
187.13348	1.1
191.05629	0.6
197.11841	1.7
199.09760	100.0
200.10107	7.3
223.09793	1.9
241.10754	2.0
243.12462	0.5
271.64008	0.4
285.07632	0.5
301.20346	0.9
319.21194	0.7
361.10941	0.6
361.14700	2.8
361.22418	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82238	1.5
55.01869	3.4
57.03432	5.7
59.01379	51.9
61.98822	3.7
69.03466	4.2
71.01380	26.2
71.30443	2.4
73.02944	10.5
83.01388	6.7
85.02956	16.4
86.00114	1.9
87.00852	3.8
89.02448	7.2
93.03452	8.9
95.01398	2.6
99.00881	4.3
101.02452	20.9
103.97990	1.5
109.02953	5.6
111.04552	1.8
111.08135	2.8
113.02460	12.9
119.03516	1.5
119.05011	3.4
121.02975	11.8
122.03739	3.8
123.04506	1.6
125.02438	1.8
137.02446	4.4
147.04547	4.2
159.02950	2.5
161.04579	4.0
163.03996	4.3
165.05565	15.5
173.04512	4.5
173.08173	2.7
179.07111	3.6
186.22623	2.0
191.05611	2.5
199.13391	12.2
209.11865	20.9
210.12169	2.6
247.11902	2.8
317.19513	1.9
343.17371	2.0
346.14148	4.4
361.19089	100.0
362.19504	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	0.5
57.03454	3.4
58.01777	0.5
59.01375	1.6
65.03960	0.9
67.37643	0.5
69.03484	0.5
71.25868	0.8
76.70717	0.5
79.95747	1.4
83.05031	3.6
87.00873	3.6
95.05016	1.5
96.96009	47.1
107.05058	0.6
111.04532	1.9
111.08145	1.2
113.06055	0.6
119.08656	1.0
121.06592	1.7
122.03790	0.6
123.08166	11.9
124.08428	0.6
137.09723	1.7
139.07625	1.6
145.10222	1.9
151.07658	1.5
153.09227	1.3
161.27449	0.5
162.41513	0.4
169.10173	0.9
171.11786	14.0
172.12122	0.9
186.00497	0.5
189.12822	4.5
197.99039	0.7
198.99934	1.0
201.12775	4.4
207.13843	2.6
219.13850	2.1
237.12534	0.8
237.14937	12.3
238.15340	1.2
281.13928	19.1
282.14267	2.7
315.95081	0.6
317.10434	0.6
361.09598	100.0
362.09940	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	361.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	36.6
61.98828	28.3
69.87045	7.7
71.01379	15.6
73.02959	3.4
78.51483	1.4
85.02960	5.6
87.00893	2.4
95.01388	5.8
96.96029	8.2
96.96964	2.0
101.02438	11.1
113.02454	10.0
119.05049	2.9
121.02943	3.3
123.00893	100.0
124.01727	11.2
125.02456	3.6
137.02455	6.3
138.03230	82.6
139.04037	26.7
142.96606	3.0
149.02399	4.5
151.03973	3.3
152.70197	1.8
159.02956	3.7
161.04576	24.9
163.03995	3.1
166.02745	2.6
181.05060	7.6
186.99310	2.3
193.04959	2.6
267.64789	1.6
272.99408	2.6
300.98886	3.1
301.09268	46.4
302.09662	3.1
361.09906	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	361.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.7
59.01378	11.2
61.98835	8.3
71.01379	3.4
79.95730	1.4
81.74282	1.3
83.05027	4.7
85.02950	2.4
87.00869	7.2
87.90466	1.6
89.02428	2.0
89.89874	1.4
95.05000	2.5
96.96012	62.0
111.04465	1.8
119.05035	38.9
120.05343	1.9
121.06612	3.2
123.08156	12.3
132.04573	2.2
133.28575	1.4
137.02444	3.1
137.06113	2.1
137.09734	1.8
139.03941	2.0
145.10225	2.2
149.02425	3.6
153.09233	1.8
158.06134	3.9
159.06456	2.2
160.06769	1.5
163.04008	50.5
164.04309	2.1
169.08609	1.6
171.11809	10.8
173.04469	1.9
189.12837	3.3
199.09746	1.6
201.12801	3.7
207.13988	2.9
219.13902	2.1
232.23485	1.4
237.14957	13.2
243.38538	1.5
281.13922	17.9
282.14355	2.1
325.09290	2.3
361.09613	100.0
361.14188	3.4
362.10022	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	359.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40213	0.5
59.01379	19.3
61.98837	0.9
69.32257	0.5
70.36285	1.2
70.36658	0.8
78.02034	0.5
151.79681	0.6
275.19940	0.6
277.21704	100.0
278.22040	11.3
359.22046	24.8
360.22415	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	360.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77458	2.5
59.01377	6.4
61.98832	100.0
63.17645	3.4
66.67981	2.9
70.24964	12.8
76.68626	3.3
85.02969	8.7
219.06480	3.3
295.42603	3.7
317.06732	2.8
336.49475	3.2
359.27933	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	360.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10729	1.7
59.01370	4.6
61.98830	100.0
63.87420	1.7
69.32511	12.5
81.44258	1.7
113.48660	1.6
211.19310	1.6
228.80670	1.8
359.27847	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	361.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.5
59.01377	3.6
60.99310	12.3
67.06337	1.4
71.01379	1.4
71.53626	1.6
76.68509	1.2
79.78412	1.1
85.02953	10.7
88.98804	100.0
89.99110	1.9
91.01898	3.8
94.79591	1.2
95.11944	1.7
95.57774	1.2
98.19868	1.2
106.77141	1.2
134.81932	1.1
135.00905	9.3
135.04529	22.6
136.04846	2.0
153.01913	2.7
165.12883	6.1
166.13161	4.5
167.13506	1.9
183.13896	21.5
184.14235	18.4
185.14445	12.5
191.01985	4.6
224.94115	7.3
227.12917	11.9
228.13197	14.2
229.13426	16.2
271.06134	19.7
272.06403	2.5
360.17606	1.4
360.28348	4.2
361.17761	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84202	0.5
64.12549	0.4
67.64818	0.5
68.55439	0.4
69.41921	3.2
71.05035	0.5
73.02955	1.0
89.02449	0.6
98.20675	0.5
111.08136	1.3
115.15344	0.4
131.03496	0.5
149.04578	2.9
165.12842	29.2
166.13193	2.1
181.12236	0.5
183.13896	100.0
184.14241	7.6
191.10858	0.5
209.11803	2.5
227.12878	95.8
228.13188	7.7
322.12943	0.5
359.17099	18.1
359.28082	1.4
360.17551	2.6
365.09949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
57.36467	0.7
59.01371	3.0
63.75451	0.7
69.03455	1.7
71.01379	0.7
71.53743	1.0
73.02930	1.3
85.02946	1.8
87.00850	0.8
88.27345	0.6
89.02442	1.2
93.03445	2.6
111.04467	0.6
111.08151	1.8
119.05000	3.0
128.10788	0.6
131.03488	1.9
137.02356	1.3
145.02896	1.6
149.04575	6.6
155.10728	0.8
163.04025	3.0
165.12836	28.6
166.13214	1.8
168.04272	2.6
173.04527	1.4
183.13892	100.0
184.14217	6.0
191.05627	2.0
209.11812	2.3
220.08400	0.7
227.12877	83.6
228.13191	7.2
293.10306	0.9
329.26288	0.7
345.51672	0.7
359.17136	24.7
359.27545	8.1
360.17499	2.9
360.28412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
63.02819	0.3
68.45998	0.3
69.03457	0.9
69.20396	0.5
69.20808	1.9
71.01379	0.5
81.03477	0.4
83.05033	0.8
87.00866	0.3
90.96355	0.2
93.03452	1.8
95.75745	0.3
98.19910	0.5
111.04522	2.3
137.02425	0.4
139.11304	1.9
139.82568	0.3
155.03487	2.8
166.78346	0.3
173.04546	4.4
185.11819	100.0
186.12140	5.5
274.92758	0.3
298.52921	0.3
359.17102	10.2
360.17471	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67337	1.1
55.01890	2.4
56.56604	1.2
57.03444	4.8
58.00589	5.3
59.01381	100.0
59.49670	1.1
61.98827	10.8
66.14392	1.2
69.03449	2.8
71.01382	95.4
72.01726	2.4
72.97529	7.7
72.99303	8.6
73.02953	13.3
75.00888	1.3
80.16118	1.2
81.03465	2.7
83.01379	6.8
84.20657	1.0
85.02951	26.7
86.03336	1.3
86.75598	1.4
87.00880	14.1
89.02448	57.1
90.02721	1.2
93.03454	2.9
95.01380	7.8
95.05000	1.7
97.02944	3.2
98.59764	1.2
99.00880	5.5
101.02442	54.5
103.60674	1.4
107.05032	2.6
108.02164	1.4
109.02926	2.6
109.06586	3.9
109.22793	1.3
111.00853	1.7
111.04476	1.9
113.02451	37.8
117.22926	1.4
119.03512	22.5
119.05000	6.7
121.02932	3.5
121.06595	4.1
122.03747	9.3
123.04534	4.9
123.08141	1.7
125.02444	2.8
129.01990	2.7
131.03500	3.0
134.03726	1.3
134.97581	1.9
135.04483	2.0
137.02444	1.7
137.06104	2.1
138.05609	1.1
139.07629	4.8
143.03497	2.2
145.02971	2.2
145.06575	4.7
147.02979	1.4
147.04465	2.3
149.04527	1.5
149.06085	2.0
153.05534	1.2
158.06078	2.3
159.02980	1.8
161.04546	8.4
163.04015	5.1
163.07635	4.0
164.04828	2.7
165.05579	7.6
165.09140	1.3
167.03479	2.1
169.01462	2.1
173.04543	3.6
175.02513	9.8
179.05667	2.4
179.07132	10.8
180.07513	1.5
182.05836	24.3
183.06517	1.6
185.02150	6.1
185.08191	4.9
186.77945	1.5
193.08742	2.4
197.08194	73.0
198.08502	3.6
207.04999	1.8
226.61139	1.1
237.07706	1.4
267.08792	1.1
271.08310	1.9
271.73346	1.2
327.10831	99.0
328.11176	10.2
359.01151	2.3
359.07819	9.7
359.13452	55.4
360.13766	6.8
361.28687	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	359.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84213	0.5
57.03446	2.0
59.01400	0.6
69.03455	0.8
69.33304	1.2
69.33727	2.2
71.01344	0.5
73.02982	0.4
80.59583	0.4
85.02950	5.9
87.00882	0.7
87.04529	0.7
89.02457	1.4
95.39934	0.4
97.06572	0.5
101.02463	0.5
106.44806	0.4
110.29053	0.4
111.08173	1.7
129.01909	0.5
131.03488	1.5
147.02982	0.5
149.04572	8.4
163.03967	0.9
165.12849	25.7
166.13200	1.9
170.89268	0.4
183.13896	100.0
184.14220	6.4
191.01964	2.1
196.06180	1.7
197.06488	1.9
209.11758	2.8
227.12881	98.7
228.13205	6.6
245.39888	0.4
289.91174	0.4
359.12442	0.9
359.17105	12.4
359.27927	0.7
360.11816	0.4
360.17435	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07505	1.0
55.01883	2.0
57.03442	1.5
58.00581	4.6
59.01381	100.0
59.73410	1.0
60.01709	1.6
61.98837	19.7
71.01382	67.3
72.01733	1.6
72.97536	1.7
72.99297	5.4
73.02964	3.9
83.01387	2.6
85.02945	16.5
86.03316	1.3
87.00879	4.2
88.96967	1.0
89.02446	71.4
90.02797	2.0
95.01405	5.0
98.19869	2.2
99.00900	2.0
101.02446	41.9
113.02450	24.7
114.02795	1.3
114.52342	1.0
115.05521	1.7
119.03503	31.6
119.05022	4.1
121.02988	1.9
122.03754	4.3
123.04472	1.7
125.02431	1.1
126.05647	1.2
131.03484	2.8
132.04588	2.1
135.04556	1.5
135.08246	1.0
143.03474	5.1
145.02892	1.5
146.03737	20.8
147.04324	1.0
149.04581	2.5
155.58058	1.2
158.06114	79.6
159.06483	4.8
161.04553	6.7
161.06070	5.9
163.04027	3.6
164.04813	14.7
165.05501	1.2
173.04573	1.9
179.05614	6.6
179.07114	48.3
180.07506	3.3
182.05823	11.0
185.02196	2.3
197.08199	23.2
198.08516	2.1
245.16495	1.1
315.09894	6.3
327.10785	4.1
359.08640	23.4
359.13483	11.7
360.09103	3.7
360.13626	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	359.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.9
59.01379	3.7
61.98832	3.0
65.00309	2.7
67.01891	2.2
68.99812	3.7
71.01024	0.5
71.01374	3.1
72.97524	0.5
73.02952	0.6
81.03454	2.0
83.01385	18.1
84.91290	0.6
85.02940	1.9
87.00873	1.1
89.02495	2.8
91.01917	0.9
93.03477	1.0
95.01385	1.2
101.02441	2.2
107.01379	3.2
109.02958	8.2
111.00876	1.8
113.02448	1.6
119.03474	0.9
121.02963	1.1
123.00894	1.7
125.02448	43.3
126.02779	1.5
134.60979	0.6
135.04515	1.7
137.02470	1.5
139.03986	1.9
149.02443	4.4
149.04527	0.5
150.99188	1.2
151.00371	17.4
151.01588	1.2
152.00784	0.8
153.01936	100.0
154.02266	4.7
156.28737	0.6
158.06111	2.9
165.01930	0.6
166.99902	1.1
167.03464	3.5
169.01410	1.1
177.01961	2.7
178.99875	3.5
182.32011	0.6
195.02992	2.2
197.04578	2.1
228.96400	0.7
315.07196	9.8
315.83823	0.6
316.07657	1.0
316.23404	0.6
341.05176	1.0
359.06024	11.4
359.09650	1.7
360.06537	1.6
362.68134	0.8
379.69714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27420	2.4
59.01368	9.3
61.98831	100.0
62.87073	2.6
63.38552	3.0
69.65688	9.9
69.66092	6.0
71.01338	2.3
76.11243	2.8
79.57862	2.5
82.02753	2.5
96.28472	2.6
111.62875	2.8
181.57883	3.0
263.29578	2.6
282.31906	2.8
358.21088	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	359.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02126	0.6
59.01377	76.8
60.01708	0.8
69.74807	2.6
69.75215	1.2
72.80878	0.6
90.97144	0.8
118.96664	0.9
132.98154	1.4
143.87479	0.7
157.03539	2.7
174.99226	21.5
190.02007	0.6
198.92271	0.6
201.02542	25.4
202.02730	2.3
217.00279	100.0
218.00626	2.6
225.24873	0.6
274.88739	1.2
277.07587	0.8
298.88882	0.8
316.89792	1.8
359.01376	5.9
360.01590	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2646
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
56.38874	0.4
59.01381	0.5
61.29509	0.3
61.98816	0.8
69.79311	2.0
71.01334	0.4
77.73872	0.4
83.01379	1.0
121.02963	2.0
137.06094	0.5
171.10240	0.9
183.13817	0.4
185.11864	1.8
209.81993	0.4
250.09869	0.4
258.76450	0.3
297.24179	1.8
309.24353	2.2
311.25891	0.5
321.24097	0.5
325.23846	1.1
327.25375	20.7
328.25812	2.2
339.25394	3.5
340.25919	0.5
355.24896	1.1
357.13519	1.7
357.26450	100.0
358.26822	14.6
358.30197	0.2
358.31485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.0
59.01379	100.0
60.01719	1.1
61.98831	0.9
66.16861	0.6
69.56770	2.9
70.99117	0.6
71.01382	6.7
73.02959	2.3
83.01395	1.6
85.02940	5.9
89.02448	1.5
99.00875	1.3
101.02442	6.0
113.02457	2.9
121.01367	0.6
129.01961	4.2
147.03008	2.4
151.48378	0.5
152.54298	0.5
161.04561	3.4
165.12865	1.7
183.13893	6.0
184.14272	0.7
227.12854	6.8
228.13184	0.8
297.24283	1.1
307.22678	0.6
309.24188	1.3
315.18091	1.2
325.23749	0.6
327.25348	7.9
328.25641	1.3
339.25409	1.7
357.26443	52.6
358.26727	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	357.2646
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
55.01869	0.2
57.03448	2.5
59.01382	5.3
61.98792	0.2
68.54372	0.2
71.01378	0.5
71.05004	0.7
73.02934	0.4
74.49649	0.2
75.03899	0.2
76.23354	0.2
82.98758	0.2
83.01379	0.9
83.05025	0.3
85.02945	0.8
87.04509	0.6
93.03452	0.3
93.07083	0.3
95.43365	0.2
97.06584	0.8
98.10734	0.2
98.58254	0.2
99.08140	0.6
109.06544	0.2
111.00881	0.5
113.09719	0.9
121.10250	0.5
123.08161	0.9
125.09740	0.4
129.01962	1.0
135.11790	0.2
137.02490	0.3
139.11275	1.7
141.09148	0.3
141.12900	0.6
147.02988	1.3
151.11281	0.5
153.12816	0.3
155.10786	0.3
155.14400	0.3
157.12343	2.5
161.82733	0.3
163.11249	0.4
165.12885	0.7
169.12344	0.7
171.10291	0.3
183.13934	1.5
185.11824	3.5
186.12529	0.7
187.13396	1.0
199.13391	1.8
201.14928	1.2
227.12897	1.1
227.16373	0.3
228.13492	0.6
267.23233	0.5
291.23270	0.4
297.24371	2.2
303.23273	0.4
309.24380	2.2
311.22308	2.3
311.25864	0.4
312.22522	0.2
315.18018	0.4
321.24234	1.4
325.23828	0.5
327.25372	11.0
328.25726	1.4
339.25388	3.2
340.25870	0.3
355.24927	0.6
357.26453	100.0
358.26794	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	357.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41743	1.4
57.03446	4.7
57.78592	1.5
59.01380	100.0
63.19426	1.7
66.28612	1.6
71.01375	8.4
71.01716	3.3
73.02946	22.5
83.01390	5.9
83.05038	3.2
85.02967	9.1
87.00884	4.3
93.03458	2.6
103.04030	6.0
109.06563	1.8
113.02431	2.1
131.03503	30.5
139.11288	23.1
140.11601	2.7
152.78159	1.8
163.11276	6.5
165.09239	3.1
165.12903	1.9
167.56459	1.6
179.10654	1.9
180.81718	1.6
181.12341	64.7
182.12619	3.4
183.10242	35.3
183.13866	6.4
184.10561	2.0
191.01891	1.8
199.13353	10.7
207.10306	2.1
225.11334	61.6
226.11632	6.2
227.12851	5.3
243.12383	92.6
244.12747	7.3
263.09378	1.7
304.79446	1.7
313.16638	3.4
351.38278	1.7
357.15628	52.7
357.22220	2.2
358.15793	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.7
59.01377	5.1
60.99264	0.7
67.01884	4.8
69.03443	3.0
70.83074	1.1
71.01377	2.5
77.91400	0.6
78.13583	0.7
83.05019	0.9
83.97658	0.7
85.02945	0.8
87.00872	0.7
89.01589	0.6
93.03458	26.9
94.03829	0.7
95.37098	0.5
109.02883	0.7
111.00877	2.6
111.04522	6.1
111.08165	0.8
113.06110	0.7
125.36567	0.6
133.02934	0.7
137.02441	5.0
139.11285	2.6
152.42511	0.6
155.03473	4.6
173.04543	100.0
174.04866	4.6
180.04218	1.7
183.10242	12.4
184.10635	1.0
195.06584	1.9
225.11333	4.5
269.10318	2.3
285.03995	0.8
297.04089	1.3
298.04749	1.3
327.08673	0.7
357.06128	3.5
357.15710	9.3
358.15991	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41455	0.8
57.03443	1.8
59.01376	1.7
60.99307	6.2
61.78990	0.8
67.01888	12.9
69.03448	5.5
70.82796	1.5
70.83136	1.1
71.01378	5.3
71.05016	1.0
72.84930	0.6
81.03464	2.8
83.05030	1.2
85.02957	1.4
87.00875	20.6
93.03458	100.0
94.03810	3.8
96.29663	0.7
97.02967	0.8
99.00873	1.8
99.04487	2.2
107.29239	0.7
109.02934	1.0
111.04517	14.1
113.02423	1.4
115.04082	0.8
129.01993	3.7
137.02484	1.3
139.11288	3.0
143.03514	0.9
155.03534	3.4
173.04544	50.0
183.10243	6.2
191.05614	15.4
192.05960	1.1
256.33350	0.8
269.10220	0.8
271.07385	0.8
277.74371	0.8
357.15527	79.5
358.15829	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	357.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94758	0.4
56.34054	0.3
57.03434	0.4
59.01372	0.7
61.41908	0.3
61.75361	0.3
62.18750	0.3
63.38958	0.3
67.30646	0.4
69.03453	0.3
69.17031	3.1
69.17433	0.6
71.01371	0.8
73.02966	0.4
83.01388	0.3
83.05032	1.3
85.02926	0.8
93.03465	2.3
98.19817	0.7
107.08695	0.3
111.04539	2.0
113.68661	0.4
121.10221	0.5
125.02456	0.7
127.04012	0.6
130.08728	0.4
137.02495	0.5
153.09204	1.8
155.03529	2.6
162.70769	0.4
165.09215	5.5
173.04565	4.7
174.35263	0.3
175.02466	0.4
180.87897	0.4
183.10257	100.0
184.10603	7.4
193.28065	0.3
200.28085	0.4
221.04578	1.4
225.11365	1.0
261.04013	0.7
312.25076	0.3
321.06238	0.8
357.06076	0.4
357.15649	6.0
358.15854	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.1
57.03439	1.9
59.01374	6.2
61.98827	1.0
67.53086	0.7
69.58536	4.3
71.01393	3.1
75.00865	1.0
83.01389	1.7
85.02954	10.1
86.03297	1.4
87.00849	0.8
87.03385	1.2
89.02453	3.2
93.03465	1.2
95.05051	1.0
98.19932	1.3
99.00860	1.0
101.02446	2.4
111.00941	0.8
113.02460	1.3
119.03461	1.0
122.03758	0.9
123.04527	74.2
124.04834	3.4
129.01913	0.9
134.04747	1.4
135.04491	1.7
137.02469	0.7
151.04024	2.5
153.05576	100.0
154.05920	5.5
162.03204	7.9
173.04561	2.0
175.02116	0.9
176.02155	0.7
177.05569	10.7
180.52847	0.7
191.01910	0.9
192.02263	0.7
193.02391	1.5
195.05038	1.6
195.06635	4.1
209.03006	0.9
210.03375	1.1
211.03496	3.2
321.02301	0.7
357.11050	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	357.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.3
63.22364	0.8
69.03453	9.6
69.14252	6.8
71.05006	2.8
77.64731	0.7
81.70496	0.8
83.05014	0.9
85.42728	0.7
93.03460	2.3
111.04517	3.1
111.08158	2.7
113.06082	1.1
131.58299	0.7
137.02388	0.8
139.11293	12.1
155.03496	3.4
155.64423	0.9
173.04538	6.8
183.10249	100.0
184.10555	7.2
193.06824	0.7
251.99138	0.9
357.15546	16.1
358.15921	1.5
371.86392	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
59.01379	2.1
65.00332	0.6
69.03439	0.2
71.01373	0.7
71.53682	0.3
72.67269	0.2
73.02967	0.2
81.03445	4.4
81.03893	0.2
83.01378	1.3
85.02950	0.5
85.06596	0.6
86.03203	0.3
87.00883	0.3
87.04510	0.3
87.29580	0.2
87.99994	0.3
89.54123	0.3
95.04988	0.3
101.38276	0.2
107.01397	0.5
109.02949	0.4
109.06593	2.4
111.04515	4.0
120.99680	0.3
121.02975	0.4
122.03777	1.5
123.04519	0.4
123.08175	0.4
125.02446	7.6
126.02762	0.3
139.04013	0.3
147.04556	0.3
149.02454	0.6
149.04536	0.2
149.59187	0.3
151.00340	1.3
151.07645	27.2
152.07933	1.4
153.05511	0.4
161.02312	0.3
163.11266	0.4
167.03508	0.3
177.01875	1.5
177.05579	0.8
183.10185	0.5
186.57269	0.2
189.01962	1.2
191.07082	0.4
195.06616	100.0
196.06952	6.3
217.01448	1.2
219.06624	0.4
237.07689	0.9
241.10875	0.3
318.86435	0.2
357.06183	2.5
357.12357	0.6
358.06598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03451	1.0
58.00584	1.1
59.01379	35.3
61.98837	2.6
63.40347	0.8
69.40788	6.6
71.01381	20.3
72.99302	2.1
73.02927	1.0
83.01409	2.1
85.02948	7.3
86.03304	1.9
86.20598	0.8
87.00862	0.8
89.02451	19.4
90.16382	0.9
95.01408	1.7
96.89084	1.0
96.99002	0.8
101.02442	13.9
113.02451	6.3
119.03516	7.1
121.02916	1.3
123.04543	1.1
127.58180	0.8
134.03731	1.4
135.04527	1.5
137.02443	0.9
139.07625	1.1
151.04033	2.3
152.07162	1.1
161.02451	2.8
161.04523	0.9
162.03224	67.6
163.03699	4.4
173.04570	1.0
177.05560	100.0
178.05919	7.2
179.05705	0.9
180.04272	3.7
193.02316	1.4
195.06625	16.9
197.88110	0.8
198.98972	0.9
209.02994	1.4
210.03294	1.1
211.03490	3.3
357.12265	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	357.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63010	0.2
57.03447	0.4
59.01386	0.4
65.00315	0.4
69.85300	1.0
74.11853	0.2
81.03454	4.0
83.01401	1.0
85.06590	0.6
87.04520	0.7
92.95928	0.2
107.01369	0.4
107.05009	0.3
109.06586	2.6
111.04518	4.0
125.02442	4.4
127.07659	0.5
128.16177	0.2
133.06612	0.9
136.05298	0.7
149.02501	0.3
151.00404	0.8
151.07643	23.8
152.07964	1.4
153.05676	0.4
165.09138	0.2
167.03516	0.2
169.07239	0.2
177.05568	1.6
191.07129	0.5
195.06615	100.0
196.06958	6.8
213.82780	0.2
219.06589	0.4
219.47417	0.2
237.07672	2.1
237.44429	0.2
267.08569	0.3
333.17764	0.2
357.11783	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	48.0
58.03805	1.3
58.98740	0.8
59.01380	8.7
67.01896	2.4
69.03453	13.7
69.16485	9.7
71.05019	2.4
73.02969	1.0
83.01393	6.4
83.05027	1.1
85.02950	4.7
87.00880	17.4
90.85523	0.9
95.05038	2.8
99.00858	2.6
99.04510	4.5
103.00377	8.0
109.02946	1.6
111.00885	69.7
111.08159	5.0
111.31302	0.9
112.01221	1.0
113.06065	1.6
125.02462	1.1
125.06094	1.6
129.01950	11.2
133.02956	10.5
137.06110	1.7
139.11285	22.5
140.11624	1.9
140.94337	0.9
147.06902	1.1
153.17567	1.0
154.01465	5.8
161.02444	3.1
163.00385	3.6
173.00877	2.2
175.04004	2.1
177.01952	1.2
183.10263	100.0
184.10600	6.0
199.03987	1.1
201.01917	1.2
225.11322	23.3
226.11736	1.5
238.86514	0.9
251.03833	1.0
266.05685	1.1
269.10284	90.5
270.10626	7.1
284.03339	3.6
285.03925	10.8
297.04013	24.9
298.04742	12.7
299.05478	5.8
311.05789	5.3
311.09009	1.1
324.02899	1.3
327.04996	1.7
339.05081	5.7
339.10764	2.2
357.06161	58.1
357.11847	4.7
358.06412	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	355.1948
Annotation	Lehualide I
Peak:m/z	Relative Intensity
52.21135	0.4
55.25339	0.4
55.91471	0.4
57.03426	1.7
59.01369	1.1
61.98809	1.5
70.74594	1.2
71.01366	1.2
81.63594	0.4
83.01305	0.5
85.02953	12.2
86.03283	0.7
103.00422	0.5
129.01903	1.1
129.75029	0.4
147.02983	1.4
151.00270	0.5
164.44833	0.4
178.99814	0.7
180.67441	0.4
183.01158	1.3
191.01990	5.0
209.03036	7.9
235.15254	11.7
236.15579	1.4
267.17865	100.0
268.18179	10.9
276.21094	0.5
301.46249	0.5
355.19492	42.8
356.19803	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2278
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
56.61794	0.9
57.03447	1.1
59.01377	2.4
61.98838	3.5
68.33128	1.0
70.52745	2.8
71.01386	1.0
81.20728	1.0
85.02946	14.0
91.95414	1.0
101.06067	1.8
107.05035	1.7
109.02928	1.8
111.00890	2.0
122.03713	7.2
127.07693	1.8
129.02002	1.5
135.04533	20.9
136.01709	2.0
147.03096	1.7
147.08148	1.6
149.06079	2.1
149.09727	6.8
149.94852	0.9
151.07652	2.2
154.02751	2.1
161.09721	7.2
163.07626	3.8
163.11284	43.4
164.08405	11.6
164.11642	2.6
165.09222	5.6
177.09212	59.8
178.09984	16.2
178.99889	1.3
179.10777	65.8
180.11075	5.7
187.11328	2.4
191.01881	4.5
191.10794	11.6
193.08701	7.3
197.09422	0.9
209.03052	7.9
280.14688	2.7
298.15726	43.6
299.16077	5.2
307.16907	1.4
309.22189	1.1
322.19174	1.5
337.17679	2.4
337.21738	47.5
338.22104	7.9
340.20419	80.4
341.20746	11.8
355.22794	100.0
356.23096	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	356.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
61.98832	100.0
69.84333	1.8
70.44607	0.4
72.06155	0.5
85.02964	0.6
88.60654	0.4
139.73709	0.4
221.15425	0.8
232.62245	0.4
236.10728	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05841	4.3
59.01374	5.0
61.98832	100.0
79.89870	4.2
80.52538	4.3
83.01389	12.7
85.02966	10.8
86.03279	11.0
96.65479	4.0
101.23591	4.3
104.56733	4.8
118.44151	4.6
121.03001	10.2
191.02177	5.4
195.75659	5.5
209.02901	7.2
210.03485	5.5
210.76662	5.5
217.04051	5.7
229.37798	6.2
356.19666	4.9
357.13660	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	357.0612
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
52.16507	0.3
53.22269	0.3
59.01381	2.6
61.98816	0.5
68.05186	0.3
68.61428	0.3
71.53248	0.4
77.04005	0.3
82.25344	0.3
83.01385	0.8
90.78210	0.3
93.03448	0.7
121.02956	100.0
122.02474	0.7
122.03255	3.8
134.41875	0.4
137.06056	0.4
165.01898	1.3
180.05782	1.9
181.06577	6.7
182.06937	0.7
225.05568	5.7
226.05969	0.6
228.05374	0.4
243.07637	0.5
254.78072	0.4
264.08685	0.3
269.08008	0.3
271.07141	1.5
313.07181	9.4
314.07312	1.5
339.06155	0.5
357.06171	38.0
357.13382	1.3
357.26425	3.2
358.06516	4.3
369.93011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
56.04789	0.8
57.03449	4.9
59.01381	7.6
69.51791	2.1
69.52185	4.8
70.22845	1.0
71.01377	3.4
71.44500	0.8
72.43563	0.8
73.02947	2.4
82.27389	0.9
85.02949	29.6
86.03284	1.1
87.00873	1.1
93.03465	1.6
95.05001	0.9
98.20621	1.9
101.02482	1.4
103.00363	1.6
105.01882	0.9
111.00905	1.4
111.04468	0.9
119.05043	1.1
121.06723	0.9
127.85589	1.1
129.01935	3.3
133.01416	1.3
133.10251	1.6
135.11797	17.6
136.12146	1.0
144.04689	1.0
147.03001	2.8
149.04544	2.1
161.09729	1.6
161.86609	0.9
163.03995	1.0
164.04727	1.3
179.10777	100.0
180.11118	8.1
191.01967	10.4
194.04581	5.4
197.58519	0.9
209.03024	16.0
223.09767	24.8
224.10071	2.2
265.11813	1.0
355.13953	9.7
356.14322	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
57.03456	5.4
59.01370	7.5
59.24260	1.0
62.85812	1.1
69.50146	7.5
71.01376	2.9
73.02953	2.4
76.40153	1.2
83.01378	1.5
84.89083	1.1
85.02950	35.5
89.02454	1.3
93.03497	1.5
98.19826	1.1
102.32863	1.1
109.20258	1.0
111.00825	1.5
111.04544	1.3
119.05003	1.1
129.01898	1.5
131.03487	2.0
133.10236	1.8
135.04457	1.1
135.11797	18.8
135.82971	1.1
147.02994	2.8
147.12296	1.0
149.04549	1.1
161.09721	1.2
163.03935	1.0
164.04903	1.4
173.00789	1.2
173.04558	1.0
179.10776	100.0
180.11101	7.0
191.01990	10.3
194.04568	5.7
209.03029	18.7
209.16388	1.0
223.09760	25.3
224.10095	2.2
245.57362	1.2
249.13130	1.4
285.16327	1.0
355.13885	9.4
356.09760	1.1
356.14453	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	355.067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60123	0.7
55.01886	1.8
57.03447	10.8
59.01380	6.8
70.03525	2.6
71.01383	9.5
71.54984	0.7
72.99306	2.0
75.00865	2.7
83.01386	2.8
84.02147	2.6
85.02950	100.0
86.03278	2.8
87.00844	1.1
89.02444	3.5
96.76617	0.7
98.04990	0.7
99.00887	1.0
101.02419	1.3
101.94728	0.8
103.00371	2.2
111.00880	4.6
119.05009	3.5
129.01950	7.3
133.01422	4.4
147.02997	10.0
163.03995	2.0
173.00819	1.3
191.01974	35.4
192.02388	1.0
201.81578	0.8
209.03015	87.4
210.03333	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	355.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16221	1.1
55.01867	1.5
57.03448	14.2
59.01384	10.5
61.98838	2.1
66.19914	1.1
67.01863	2.1
68.99808	1.9
69.03463	3.4
71.01376	4.5
71.05006	1.6
72.58582	1.2
73.02946	1.9
75.00888	2.2
77.03972	1.5
81.03447	8.9
83.01387	13.7
84.02174	2.2
85.02951	65.1
86.03298	1.8
87.00873	1.7
89.02470	1.2
93.03448	4.6
95.01379	2.5
95.05010	4.0
97.02962	10.1
99.04515	5.2
107.01326	1.4
109.02939	13.9
111.00870	3.2
119.05012	2.4
119.08677	1.3
121.02946	9.1
123.00871	2.5
123.04512	3.8
125.02452	33.9
125.09709	1.5
127.72528	1.5
129.01913	6.0
131.08615	1.5
132.05850	1.7
135.04543	2.5
137.02441	65.2
138.03242	41.2
139.03944	4.5
147.03032	7.9
147.04532	5.3
148.05292	2.6
149.02495	1.3
149.06088	2.7
151.03973	3.6
159.04453	1.7
159.08119	4.1
161.09747	15.8
163.04057	2.4
163.07671	2.4
165.01936	76.3
166.02716	27.6
167.03508	34.3
169.06622	2.0
172.05276	1.6
174.06857	4.4
175.04112	1.4
175.07631	2.6
178.99808	1.3
179.03392	1.5
181.12401	1.9
181.34615	1.3
185.06067	1.4
187.03979	1.6
187.07617	8.1
189.09218	100.0
190.09549	6.6
191.01978	18.7
199.07620	1.6
201.09187	2.6
203.10762	2.7
206.02162	3.0
209.03018	32.6
210.03406	1.5
211.07558	1.9
213.09128	1.3
217.08678	16.9
225.09113	2.5
227.10788	15.7
229.08688	20.7
230.09059	2.4
241.12321	1.6
251.10757	3.4
252.04144	1.7
253.08710	1.4
253.16263	3.0
254.16678	3.0
255.10222	2.0
265.12531	1.9
267.10187	2.2
269.11801	14.7
270.33426	1.4
271.09830	2.6
283.13342	1.6
293.08304	2.7
293.11877	4.7
299.13016	1.9
309.11362	1.9
311.09534	2.1
311.12930	7.3
319.09756	3.7
325.23914	9.7
337.10806	28.8
338.11035	3.5
355.11862	34.6
355.21359	3.0
355.24881	53.7
355.29312	2.6
356.12411	3.7
356.25372	3.6
379.18317	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
57.03447	8.8
58.87884	1.0
59.01367	5.0
68.99842	1.0
70.89423	1.9
71.01380	7.4
72.99281	1.8
75.00859	2.0
77.06722	1.0
83.01379	1.9
84.02134	1.8
85.02946	79.3
86.03281	2.0
89.02467	1.3
111.00874	3.3
119.05013	3.0
121.63486	1.0
129.01970	5.9
133.01418	2.9
147.02983	11.0
173.00862	2.4
190.95874	1.1
191.01964	40.8
192.02199	1.1
209.03017	100.0
210.03322	4.8
259.65109	1.0
355.06552	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	355.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.3
57.03450	14.7
59.01380	10.7
71.01385	8.7
71.14469	1.4
72.99303	2.4
75.00875	2.4
80.00546	0.7
83.01397	2.5
84.02169	2.6
85.02950	100.0
86.03288	2.1
87.00888	2.1
89.02411	1.8
103.00369	1.6
111.00891	4.7
115.00344	1.0
119.05017	3.1
129.01933	9.3
133.01410	2.4
142.97044	0.8
147.02994	11.6
163.04019	2.0
173.00900	2.2
191.01984	34.8
192.02400	1.0
209.03026	54.0
210.03445	0.9
257.94110	0.8
287.79819	0.7
355.06747	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	355.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08461	0.6
53.57875	0.5
55.01872	1.9
57.03448	12.1
59.01374	8.3
67.27383	0.6
68.99801	0.6
69.68242	3.3
71.01382	10.4
72.99307	3.7
75.00883	3.6
75.19725	0.6
83.01398	2.4
84.02164	2.4
85.02950	100.0
86.03282	2.4
87.00891	1.3
89.02419	3.6
94.84851	0.6
98.20583	1.3
101.02473	1.0
103.00388	1.9
111.00871	5.9
115.00373	1.5
119.05028	2.6
128.39209	0.6
129.01938	7.4
133.01440	4.3
138.05333	0.7
147.02994	8.4
163.03999	1.7
173.00917	2.2
173.70245	0.6
191.01968	40.8
192.02277	2.1
209.03018	90.4
210.03349	3.8
219.97227	0.7
272.74637	0.7
355.06763	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49570	0.7
55.01871	2.8
57.03450	13.1
59.01379	7.5
63.80293	0.7
68.99819	1.0
71.01374	5.0
71.51495	1.6
72.99321	2.0
73.02962	0.8
75.00883	1.3
79.86395	0.6
83.01393	2.8
84.02165	2.8
85.02952	100.0
86.03289	1.7
87.00874	1.7
89.02421	1.4
91.55888	0.8
101.02343	0.7
103.00380	1.9
109.45186	0.6
111.00869	5.6
117.25341	0.7
119.05022	2.8
129.01955	9.4
131.11867	0.7
133.01431	2.4
147.02997	12.0
163.03976	1.7
173.00906	2.5
174.81288	0.7
188.63266	0.8
191.01979	33.7
192.02251	0.7
209.03023	50.1
210.03436	1.2
323.83963	0.7
355.06821	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70094	1.5
58.69796	1.4
59.01387	2.3
61.98819	2.4
71.52850	1.7
85.02926	2.1
91.30868	1.4
93.03464	2.3
121.02982	2.1
133.02966	6.4
134.03703	7.6
135.04538	24.5
137.02458	6.7
139.03987	2.7
161.02441	19.9
173.04541	8.9
179.03485	13.2
191.05725	10.0
245.21001	1.4
251.43967	1.8
317.17572	100.0
318.18085	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	353.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18637	0.3
59.98532	1.2
69.80814	0.4
69.81213	0.7
71.01392	0.6
73.02921	0.3
81.07084	1.1
83.05022	0.8
85.02958	0.5
87.00857	0.5
93.03461	2.9
98.03745	0.6
98.20657	0.4
111.04516	2.4
129.01932	0.3
129.22058	0.3
135.04517	0.4
135.11803	0.4
137.02431	0.4
155.03499	3.4
161.09671	0.3
173.04533	4.7
179.10770	100.0
180.09561	0.5
180.11115	6.6
191.05620	0.6
221.01242	0.2
236.43449	0.3
353.16025	2.7
367.66434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2121
Annotation	Guayulin B
Peak:m/z	Relative Intensity
63.23404	0.3
71.16282	0.5
79.95732	0.3
95.91680	0.3
96.96004	1.6
112.08751	0.3
112.96197	0.3
142.20340	0.3
151.42531	0.3
163.11284	84.8
163.84543	0.3
164.11594	6.1
177.09206	65.2
178.09554	4.7
182.36267	0.3
191.05496	0.3
191.27080	0.3
222.08897	0.6
353.21191	100.0
354.21536	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	355.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79362	0.6
55.01865	2.3
57.03447	12.2
59.01377	6.4
68.99823	0.9
69.52195	2.7
69.52605	1.7
70.56214	0.6
71.01391	7.5
72.99300	2.2
75.00874	2.3
83.01392	2.1
84.02153	1.7
85.02953	100.0
86.03290	2.3
86.36272	0.7
87.00885	1.5
88.11667	0.7
89.02451	1.8
101.02446	1.2
101.62265	0.7
103.00359	1.5
111.00882	5.9
112.45073	0.6
115.00314	1.1
119.05021	2.3
129.01938	7.0
133.01421	3.4
139.34839	0.8
147.02989	10.6
163.04008	2.4
168.39346	0.7
173.00887	1.6
191.01988	30.8
192.02383	0.9
209.03023	63.8
210.03375	2.9
234.25247	0.6
277.21948	0.7
355.06564	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0878
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
57.03430	1.0
59.01374	3.5
62.30265	0.9
67.01885	3.1
69.15329	8.2
69.15738	1.6
71.01382	3.3
79.29771	0.9
81.03493	1.1
85.02946	6.0
87.00880	1.9
93.03455	24.0
107.04985	1.4
111.04546	5.3
113.02453	1.2
114.92712	1.1
127.03923	1.3
133.02898	1.6
134.03732	4.1
135.04520	62.2
136.04842	2.5
136.63330	0.9
137.02446	4.7
155.03552	4.8
161.02419	2.4
171.97765	1.1
173.04544	100.0
174.04810	4.5
179.03496	64.5
180.03780	2.7
191.05608	48.2
192.05951	2.4
251.93544	1.0
353.08749	14.5
354.08893	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	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40542	0.5
59.01378	0.9
59.39489	0.6
67.01890	2.5
69.03455	0.5
70.04160	2.4
71.01385	2.2
81.03478	0.6
83.05016	0.5
85.02938	4.0
87.00887	1.3
87.89276	0.5
93.03456	14.7
94.03801	0.7
98.20592	0.6
99.04552	0.5
109.02954	1.1
111.04550	3.1
127.04033	0.9
133.02977	1.0
134.03754	1.9
135.04524	43.9
136.04869	2.1
137.02423	4.6
144.31081	0.5
155.03503	5.5
161.02467	3.4
162.02731	0.7
168.23607	0.5
173.04547	100.0
174.04900	5.5
179.03496	67.9
180.03783	3.9
184.96870	0.5
191.05605	41.3
192.05952	2.1
219.94821	0.5
344.21771	0.5
353.08716	16.6
354.08972	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	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.9
61.98828	0.8
62.88590	0.7
65.60200	0.7
67.01879	2.2
69.84257	1.8
69.84671	3.5
71.01383	1.6
76.76153	0.7
85.02942	4.2
85.42193	0.8
87.00850	1.2
93.03452	15.6
98.20618	1.5
102.42070	0.7
109.02963	1.6
111.04556	4.1
127.03989	1.3
134.03783	2.2
135.04526	47.0
136.04828	2.2
137.02451	4.5
155.03473	4.4
161.02431	2.6
173.04543	100.0
174.04901	5.6
179.03490	66.6
180.03810	3.7
191.05598	45.6
192.05969	1.9
238.52251	0.8
277.57846	0.8
322.26993	0.8
326.00668	0.9
333.17258	0.8
353.08728	19.6
354.09158	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	351.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.1
57.03429	1.8
59.01379	22.9
61.98835	5.6
69.03470	5.7
71.01379	30.5
72.08596	0.9
72.99281	1.2
73.02943	12.2
83.01383	5.2
85.02949	18.1
86.03316	1.2
89.02431	6.2
91.94439	1.1
93.03427	2.3
95.01380	3.0
98.00125	1.0
99.00880	5.6
101.02440	35.5
107.10497	1.0
113.02440	36.6
119.03529	1.4
133.02942	3.4
138.83525	1.1
143.03523	1.8
159.02954	4.6
161.04559	24.6
173.04552	11.5
177.01917	1.2
179.05641	1.6
185.97279	1.1
237.09784	100.0
238.10132	6.0
351.07141	1.2
351.12283	2.3
351.16617	3.4
357.10117	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98249	1.2
59.01380	100.0
69.60643	1.2
69.60973	8.3
71.01383	25.9
72.99268	1.7
73.02963	1.1
74.51441	1.0
82.14986	1.3
83.01361	1.5
85.02944	5.2
86.15867	1.5
87.00855	2.2
89.01933	2.0
89.02448	25.6
93.03468	1.5
95.01385	2.1
98.20581	2.5
101.02442	15.9
113.02457	9.5
119.03497	14.5
131.03479	1.6
133.02936	1.5
138.05615	2.5
138.80502	1.2
143.03506	2.9
153.09224	11.8
161.04530	2.6
163.04175	1.4
166.05049	2.0
169.72589	1.5
171.10278	14.9
172.10478	1.2
173.04546	4.2
177.55064	1.2
179.05652	6.3
197.35397	1.2
198.04524	1.3
199.24316	1.5
210.03972	1.9
235.08591	1.6
263.39685	1.5
282.25003	1.3
289.11847	2.0
307.13016	5.1
351.12061	6.3
351.16547	79.4
352.16763	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	352.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07848	0.6
57.03444	2.4
59.01390	6.6
61.98830	100.0
65.00323	0.7
67.01884	2.5
68.99802	0.7
69.63782	0.6
69.64173	0.6
70.52504	1.4
70.52847	0.7
71.01373	6.0
72.01707	0.8
73.02953	1.4
77.96769	0.6
81.03442	0.8
83.01395	2.4
83.05011	0.6
85.02948	7.1
87.00890	1.4
89.02456	2.1
92.33813	0.6
92.61240	0.6
93.03461	16.7
94.03810	1.0
95.01394	1.1
99.00878	0.8
101.02438	4.1
107.01410	1.3
107.05082	0.8
109.02969	3.6
111.00868	1.4
111.04526	3.4
113.02486	2.1
117.03489	1.2
119.03536	0.8
119.05054	2.4
121.02930	0.7
123.04533	1.1
125.02464	2.9
126.79418	0.6
127.04002	1.3
129.01973	1.2
131.03430	0.7
133.02963	1.7
133.06682	0.8
134.03761	3.5
135.04526	24.6
137.02472	4.3
147.02975	1.6
149.06108	1.0
151.00339	3.7
153.01884	3.0
155.03545	4.0
161.02400	2.9
161.04590	0.8
163.04042	1.3
165.01950	2.1
167.03552	1.0
173.04544	47.4
174.04945	1.9
175.04054	1.0
177.05589	0.9
178.99913	2.4
179.03485	23.1
181.01408	3.0
191.05608	30.5
195.02930	1.3
207.05138	1.4
220.06163	1.5
243.07733	1.7
253.08737	0.9
265.07214	3.2
267.10352	0.8
273.04092	2.4
297.07761	2.0
313.11081	0.7
317.02960	8.1
325.07486	0.6
332.88788	0.6
333.76526	0.7
351.20325	2.0
352.20657	5.6
353.05695	1.6
353.08795	5.6
357.09949	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	349.2017
Annotation	Andrographolide
Peak:m/z	Relative Intensity
59.00288	1.6
59.01384	19.4
59.72451	1.9
59.77975	1.6
61.98823	2.7
69.19527	17.7
73.02932	2.2
73.25819	2.1
76.54707	1.8
98.19929	4.2
109.06577	12.2
121.06580	6.5
123.08179	15.6
135.11688	1.8
135.59923	1.9
163.92065	2.1
179.10780	8.4
189.12828	1.8
227.82906	2.1
255.17564	7.6
257.19131	42.5
258.19449	5.2
269.19174	6.4
271.17059	2.4
275.20129	11.7
287.20166	27.3
288.20584	3.6
319.19159	31.9
328.42969	2.1
349.20218	100.0
350.20441	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	350.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77477	0.3
56.10198	0.3
59.01366	0.6
60.43376	0.3
61.98830	100.0
69.62344	0.5
69.62752	1.0
135.04527	1.5
151.00377	1.2
249.84140	0.3
270.04932	0.4
287.05582	1.0
290.71487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1868
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.04574	0.3
54.00409	0.3
55.01856	0.9
57.03440	0.8
58.00586	0.5
59.01381	12.3
60.01709	0.4
61.98820	0.3
64.77065	0.3
70.64864	1.0
71.01383	10.6
72.99293	0.6
73.02941	2.4
75.00890	0.5
83.01397	1.9
84.49032	0.3
85.02949	4.1
87.00867	1.9
89.02447	2.6
95.01370	1.0
97.02911	0.4
99.00877	0.8
101.02441	6.1
106.12141	0.3
111.00906	1.1
112.01659	0.4
113.02457	2.6
119.03487	0.6
125.02441	0.8
141.12834	1.8
163.04010	0.8
169.12311	1.0
187.13391	38.2
188.13763	1.7
201.14839	0.4
207.10194	0.4
209.50853	0.4
216.94200	0.3
229.14452	0.4
262.07678	0.4
331.17682	2.5
341.26910	0.3
349.18661	100.0
350.18994	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	349.1869
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
55.01872	3.4
57.03448	4.0
58.00591	4.1
59.01379	85.0
59.34554	0.6
60.01716	1.1
60.98191	0.7
68.17227	0.7
69.16151	4.9
69.16558	2.3
71.01381	100.0
72.01725	1.9
72.99296	5.6
73.02943	21.7
75.00865	1.0
81.03484	0.9
83.01386	9.3
85.02949	34.3
87.00877	15.1
88.15594	0.7
89.02447	43.4
90.02770	0.8
95.01389	6.7
95.05034	1.4
97.02938	1.2
99.00869	8.7
101.02440	62.7
102.02753	0.9
106.31354	0.7
110.57547	0.8
111.00869	1.1
113.02453	38.8
113.09679	0.7
114.02769	0.9
115.03969	0.8
115.07655	2.1
119.03503	17.1
120.03804	0.8
123.94175	0.7
124.01635	0.8
125.02392	2.1
129.01929	2.6
131.03500	2.0
135.04451	1.3
141.09221	18.8
143.03474	4.3
143.10742	4.0
149.04547	1.2
151.07587	0.7
159.03009	7.0
161.04550	36.8
162.04770	1.0
163.11282	1.0
169.12317	5.1
175.03940	1.7
177.09242	4.0
179.05591	2.9
187.13382	3.4
205.03520	0.9
207.10191	1.3
219.10175	2.9
220.84686	0.9
246.08981	3.0
259.09717	4.1
259.15482	2.2
260.09958	1.0
261.14951	5.7
287.12781	1.5
305.13895	1.7
349.12894	13.7
349.18631	63.9
350.13043	0.9
350.19037	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	349.1867
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
52.07816	0.6
55.01876	3.3
57.03445	4.0
58.00597	4.5
59.01378	100.0
60.01705	1.9
61.98830	2.1
69.03464	1.1
71.01381	79.4
71.52843	0.6
72.01723	1.1
72.99306	6.0
73.02949	8.5
74.60847	0.5
75.00864	1.1
83.01385	5.4
85.02947	26.1
86.03304	0.9
87.00877	4.5
87.04502	1.0
89.02444	75.3
90.02800	1.6
95.01383	5.2
96.96020	0.8
97.02945	0.9
99.00875	3.1
101.02441	54.0
102.02787	1.1
111.00874	0.7
113.02449	32.4
114.02783	1.1
114.88862	0.5
119.03500	31.9
120.03819	1.0
125.02450	1.2
131.03496	3.6
138.05630	0.7
143.03494	6.2
147.02921	0.8
149.04570	2.3
155.10774	0.7
155.77965	0.5
157.08664	1.3
159.02983	2.4
159.04240	0.5
161.04553	20.2
161.05899	1.0
162.04889	0.7
165.01079	0.4
165.06767	0.9
166.05150	0.7
173.04572	0.5
179.05611	11.8
185.11841	0.8
187.13397	9.7
191.01923	3.6
217.10747	1.5
271.05661	1.9
288.15994	0.8
305.11349	0.6
331.17520	0.7
349.15271	1.0
349.18640	26.2
350.18979	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	349.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85752	0.5
59.01379	100.0
60.01711	1.2
61.98827	1.1
69.03448	0.8
70.02454	1.4
70.02847	1.1
71.01387	4.2
73.02943	2.9
83.01434	0.7
85.02963	1.4
89.02461	2.5
89.84055	0.6
98.47887	0.5
101.02432	3.6
110.19639	0.5
111.04446	0.5
113.02463	1.9
119.03559	0.9
120.99677	1.2
123.04485	0.6
125.06117	0.8
127.07706	0.6
129.01959	0.7
143.07117	2.8
144.04590	1.2
155.10800	1.7
155.33191	0.6
157.08688	3.9
161.04549	1.0
188.03539	0.6
217.10802	6.8
235.94463	0.6
349.14828	2.1
349.18909	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	349.1867
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
50.12745	0.7
55.01880	3.1
57.03437	4.6
58.00599	4.3
58.04216	0.7
59.01381	100.0
60.01718	1.1
61.98821	1.4
68.99813	1.2
69.03448	1.1
69.18122	2.7
69.18546	4.3
71.01382	79.9
72.01721	0.8
72.99302	4.0
73.02944	9.4
74.02457	0.7
75.00848	1.3
81.58332	0.7
83.01384	5.8
85.02953	25.9
87.00861	4.5
87.04515	1.5
89.02448	70.3
90.02795	1.1
95.01375	5.6
97.02953	1.1
99.00880	4.6
101.02444	49.4
113.02448	30.4
114.02761	1.0
116.92848	1.9
119.03502	31.0
125.02412	1.0
128.03531	1.1
131.03491	3.5
133.06915	0.9
143.03494	5.1
147.43214	0.8
149.04562	1.7
150.92448	0.8
159.03011	1.8
161.04559	18.8
169.30879	0.8
171.07782	0.8
171.40421	0.7
179.05600	10.7
180.73845	0.8
181.02737	0.8
185.11919	1.1
187.13387	11.2
191.02061	0.9
285.55719	0.8
349.15259	2.7
349.18658	65.7
350.19070	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	348.9859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.98829	100.0
62.03020	0.2
62.98537	0.3
63.99250	0.3
70.94525	0.5
74.83553	0.2
78.05983	0.2
80.73935	0.2
87.60107	0.2
99.48717	0.2
144.11708	0.2
162.98477	1.8
175.37744	0.2
203.99945	0.3
205.00145	0.5
205.99763	0.6
206.97447	78.1
207.97563	5.8
239.08977	0.2
348.98767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73468	1.4
55.73215	1.5
57.03445	6.1
59.01390	3.5
69.03457	35.4
69.03819	3.3
69.27879	1.4
71.01368	8.8
71.52200	2.4
83.01334	1.5
85.02951	26.8
87.00888	2.9
93.03461	1.6
99.00850	2.5
101.02459	1.9
111.00885	10.5
112.01675	34.6
112.98814	6.2
112.99615	1.5
113.02451	36.0
115.00347	1.9
144.06638	2.5
157.01427	100.0
158.04604	20.3
173.00850	2.6
175.04311	1.9
191.05646	7.3
217.05206	5.0
289.02493	6.3
349.09479	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	348.036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
61.98831	14.6
89.91714	0.9
98.19909	1.3
107.01402	2.3
121.93964	0.8
123.53312	0.8
133.02946	13.4
134.03183	1.1
149.02408	2.2
151.00359	6.4
175.03996	3.5
180.28813	0.8
199.04030	2.0
241.05249	1.1
285.04047	100.0
286.04367	10.3
357.97147	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73394	1.9
59.01363	3.7
61.98831	32.8
71.53374	2.5
121.65863	2.2
135.04523	100.0
136.04890	4.2
167.25249	1.9
207.10252	4.5
265.79459	2.2
285.04245	3.7
285.07635	50.6
286.08023	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	347.1712
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01875	2.0
57.03443	2.3
58.00592	2.1
59.01379	35.0
69.37132	2.4
69.37551	3.8
70.57713	0.9
71.01382	32.0
72.99303	3.9
73.02942	10.9
75.00852	1.1
83.01392	6.3
85.02954	13.4
86.00079	1.5
87.00881	2.4
88.57619	1.0
89.02446	13.1
93.03462	1.6
95.01369	2.4
99.00886	3.9
101.02441	25.8
111.00860	1.1
113.02457	10.4
119.03520	5.0
155.10811	1.0
155.29390	0.9
159.03018	1.4
161.04559	4.5
167.10812	8.3
173.04529	4.1
185.11807	3.0
199.09802	1.1
286.03473	1.2
302.33841	1.0
303.18124	3.2
328.63321	0.9
347.17096	100.0
348.17453	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	347.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
58.31688	1.0
59.01380	100.0
61.98824	1.1
71.01383	9.1
71.51820	1.1
73.02940	2.4
82.25278	0.9
85.02940	4.6
97.02943	1.6
99.00879	1.9
101.02444	3.5
111.00833	1.3
112.04040	4.5
113.02423	4.3
113.04382	2.3
124.03989	1.2
125.02444	6.7
126.05676	1.1
136.78842	1.0
159.02934	1.5
161.04561	10.9
166.05090	8.0
167.05440	10.4
180.53587	1.0
182.08206	2.1
183.08548	3.1
189.05685	1.6
227.07410	1.3
347.11621	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1708
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01868	1.9
56.41339	0.5
57.03434	1.0
58.00581	1.6
59.01381	36.0
67.13349	0.6
71.01382	25.1
71.52712	0.6
71.95982	0.5
72.99303	2.0
73.02940	3.2
75.00899	0.8
83.01388	2.8
85.02951	7.9
87.00852	1.4
89.02442	15.5
93.03438	1.7
95.01371	1.8
99.00883	1.6
101.02444	16.2
113.02456	7.9
119.03505	4.6
120.99673	0.9
125.89081	0.4
130.08754	0.9
131.03500	0.6
140.37405	0.5
143.03500	0.5
145.07648	0.5
149.04576	1.3
159.02927	0.6
161.04555	1.5
167.10774	10.6
168.11116	0.5
169.12363	0.9
173.04573	2.3
185.11827	6.0
191.05655	0.6
273.45013	0.4
303.18240	0.9
329.16171	0.9
347.17090	100.0
348.13376	0.9
348.17465	10.8
348.21344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88288	0.7
57.97571	0.7
59.01382	30.3
70.83398	0.8
70.83742	1.3
71.01389	7.9
74.02471	0.8
78.95914	3.2
85.02953	1.9
89.02454	0.9
91.04522	0.6
91.05150	0.7
95.05030	3.5
96.16835	0.8
96.71583	0.6
96.96964	0.8
99.00855	0.7
101.02431	2.2
111.04525	1.1
112.04048	30.4
113.02437	1.7
113.04388	1.5
115.33305	0.6
120.08122	0.8
122.06156	1.0
123.04497	0.8
124.04043	9.3
125.02433	2.0
126.05621	4.1
138.05571	1.0
140.07137	3.3
141.05617	0.9
154.05086	7.0
161.04544	2.8
166.05090	100.0
167.05443	3.8
173.04564	1.4
182.08215	27.5
182.09828	1.4
183.02997	0.7
183.08560	1.6
184.06157	9.4
206.08047	0.7
208.06067	0.9
226.07245	7.6
286.09198	0.8
328.10345	6.0
329.10931	0.7
346.05328	1.1
346.11432	24.5
347.07019	0.6
347.11789	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	346.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29224	0.2
58.19634	0.2
59.01382	3.1
60.01694	0.2
61.98831	100.0
64.73888	0.2
70.65937	0.4
82.20111	0.2
97.16412	0.2
118.22379	0.2
128.70076	0.2
159.38438	0.2
172.61284	0.2
172.68599	0.2
188.48840	0.2
201.02570	0.8
202.02721	1.3
203.02251	1.3
203.99991	45.9
205.00131	4.7
278.92535	0.2
346.01196	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1555
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
53.03436	1.0
55.01867	5.0
57.03440	5.0
58.00584	3.4
59.01378	88.1
60.01717	1.1
67.01877	3.8
71.01379	63.2
72.99308	2.4
73.02943	12.0
73.21348	1.1
79.49695	1.2
80.10385	1.2
83.01394	8.9
83.05006	1.4
83.68817	1.1
83.81079	1.3
85.02952	25.0
87.00893	5.7
87.59042	1.3
89.02442	36.7
93.03457	21.0
95.01382	5.2
99.00898	5.3
101.02440	38.6
101.03108	2.2
109.02946	1.9
111.00938	1.4
111.04517	4.0
111.12959	1.3
113.02452	24.4
119.03508	17.7
120.99660	5.3
121.10230	9.0
129.01881	2.3
131.03470	2.3
137.02435	4.2
143.03514	3.2
155.03487	4.5
159.02985	1.8
161.04587	8.0
163.99895	1.1
165.09224	2.4
173.04538	49.5
179.05550	1.5
183.10237	4.6
191.05614	41.6
197.09700	6.3
197.32837	1.2
227.35649	1.5
237.07735	3.7
241.08737	3.8
259.07153	16.5
301.10941	2.9
301.16498	2.0
345.15518	100.0
346.09775	1.4
346.15900	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	345.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04134	0.2
50.38490	0.2
51.52548	0.3
57.92416	0.3
59.01366	0.9
61.98800	0.4
64.44893	0.2
69.63142	1.6
71.01379	0.6
73.02945	1.9
74.50132	0.3
103.04040	0.4
131.03484	1.2
135.03069	0.3
149.04561	0.3
152.31238	0.3
165.12758	0.3
169.34795	0.3
177.12852	0.4
182.03360	0.3
183.13905	14.2
184.14230	0.8
195.13908	12.5
196.14220	0.9
213.14957	100.0
214.15289	7.5
227.12830	0.6
345.19272	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	345.1555
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01873	3.9
57.03451	5.8
58.00592	2.7
58.66013	0.9
59.01381	62.3
59.34260	0.9
59.62262	1.1
66.24295	1.0
67.01878	2.4
68.13549	0.9
68.30527	1.0
71.01383	58.3
71.53255	1.3
72.99307	2.5
73.02942	13.0
74.02480	1.2
75.00864	1.6
81.03454	1.7
83.01391	10.2
85.02953	25.5
87.00880	2.8
89.02449	27.6
92.54699	1.0
93.03459	13.2
95.01403	5.7
98.16106	1.0
99.00877	5.3
101.02441	42.8
111.04507	1.6
113.02450	25.2
119.03495	13.4
119.73624	1.0
120.99672	15.1
121.10213	8.3
125.02495	1.3
131.03464	1.7
135.04456	2.2
137.02444	2.4
140.24944	0.9
143.03508	1.8
155.03499	2.2
156.73317	1.0
159.03018	2.0
161.04578	7.0
165.09171	4.0
173.04549	24.4
183.10217	2.0
188.51414	1.1
191.05609	23.9
197.09772	3.2
241.08675	1.7
257.12021	1.2
259.07126	5.6
272.96503	1.0
301.07159	2.7
301.10660	1.2
301.16599	1.5
336.23709	1.4
345.15530	100.0
346.09598	1.2
346.15869	12.0
363.30948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51508	0.2
65.99880	0.2
71.01369	0.3
105.62336	0.2
107.93936	0.2
109.02940	0.4
123.04532	0.5
132.42828	0.2
137.02422	2.0
151.04024	1.7
152.04788	4.7
153.05080	0.2
167.02225	2.2
180.03009	0.6
181.03812	2.9
182.04575	100.0
183.04922	4.7
199.01208	0.9
344.09839	21.1
345.10172	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
59.01377	3.0
61.98789	0.5
63.12685	0.4
69.03452	0.7
69.16561	2.5
69.16991	2.1
71.01369	1.0
72.99295	0.5
75.00882	2.4
81.03450	0.5
83.05027	1.8
98.79743	0.4
109.49135	0.5
111.08154	2.0
117.01916	1.1
135.02994	7.9
145.05034	0.5
147.52893	0.5
151.00349	0.5
161.76793	0.5
165.12845	31.2
166.13170	2.2
183.13896	100.0
184.14244	7.0
191.10858	0.6
209.11823	2.1
227.12880	76.7
228.13234	6.0
345.15546	30.5
345.22479	1.2
346.15921	2.8
355.87891	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
58.91233	0.4
59.01365	1.4
62.38850	0.4
62.75040	0.4
69.72814	2.8
71.01371	1.0
75.00852	1.8
78.88353	0.5
83.31181	0.4
83.69096	0.5
89.02407	0.5
99.00867	0.5
101.82563	0.4
111.08166	1.8
114.55225	0.4
117.01927	1.2
125.02428	2.4
135.02986	6.2
137.02448	0.7
165.12842	27.9
166.13165	2.2
171.98805	0.5
174.35025	0.5
181.12332	0.8
183.13896	100.0
184.14238	6.6
185.47845	0.5
209.11812	2.0
227.12885	77.7
228.13216	6.2
298.89560	0.6
327.12421	0.5
345.09802	1.1
345.15573	24.1
346.16000	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2487
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.30907	0.5
56.03755	0.5
59.01380	2.1
61.98831	1.1
69.03461	1.5
71.52246	0.7
83.05038	1.9
90.26511	0.5
97.06519	0.7
99.08154	8.1
109.06515	0.6
121.10226	1.5
125.09739	1.7
137.09639	1.0
165.12874	1.3
171.10271	13.7
172.10605	0.7
175.11275	1.0
193.12328	14.7
194.12598	0.9
197.15469	0.8
211.13329	2.9
225.14949	16.6
226.15358	1.5
229.22107	0.6
243.16034	6.3
270.16742	0.7
293.21255	2.2
311.22388	0.9
325.23639	1.1
343.24869	100.0
344.25244	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	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01385	2.8
69.03445	1.8
83.05056	1.2
93.00190	0.8
97.06544	1.0
97.76184	0.5
98.19853	0.9
99.08156	8.4
104.86716	0.5
109.06632	0.7
111.08157	0.7
121.10255	1.0
125.09702	1.2
127.11320	0.7
137.09705	1.6
139.11230	0.6
149.13272	0.6
151.11348	0.7
171.10255	12.7
175.11272	0.9
193.12332	14.9
194.12585	0.7
197.15483	0.8
211.13326	2.8
225.14944	23.2
226.15334	1.7
229.00209	0.6
243.15945	8.0
268.71811	0.5
289.18054	7.4
290.18427	0.6
293.21304	1.8
297.89972	0.5
307.19199	1.1
325.23853	0.9
343.24872	100.0
343.28381	5.2
344.25195	12.7
344.28860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62976	0.8
59.01374	3.8
59.27766	0.8
61.98829	1.5
66.54321	1.0
66.81042	0.9
70.21447	0.7
83.05025	1.4
88.60891	0.8
95.08370	0.8
99.08156	8.2
103.03011	0.9
121.10205	1.8
125.09746	1.7
130.20586	0.9
137.09695	2.1
144.50009	0.8
147.98534	0.9
171.10271	16.2
175.33272	1.0
177.94687	0.9
193.12325	15.4
211.13423	3.1
225.14984	17.6
226.15152	1.2
243.16014	7.9
253.20009	1.2
293.21149	1.7
343.24869	100.0
344.25137	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.14
Annotation	Taxuside
Peak:m/z	Relative Intensity
55.01864	3.6
57.03447	2.4
59.01381	29.5
61.98812	0.9
62.93705	0.9
63.17259	1.1
66.05152	1.0
69.03443	1.6
71.01008	1.7
71.01382	24.9
71.52718	1.2
72.99308	1.5
73.02944	8.4
74.99082	1.8
75.00864	1.2
83.01391	6.9
85.02949	15.0
86.00105	1.9
87.00864	3.1
89.02458	6.1
93.03489	1.8
95.01398	1.3
97.02911	1.4
99.00883	2.9
101.02444	24.5
101.52784	1.2
108.02173	1.0
109.02936	6.6
111.00845	1.1
113.02449	9.3
115.68681	1.0
116.42973	0.9
118.98093	14.9
119.03479	2.2
121.02968	7.0
122.03753	6.0
125.02449	1.2
129.01938	1.3
135.04494	2.2
136.05312	6.2
137.02399	1.4
137.06058	2.6
143.05063	1.2
159.03052	1.1
159.04515	2.2
161.04572	3.6
166.06346	28.8
167.06976	3.9
169.08794	4.8
169.09958	1.1
173.04572	2.1
180.04298	8.8
181.05128	3.0
181.08708	100.0
182.09064	5.7
189.05634	1.3
191.07266	1.1
217.69911	0.9
225.11340	1.6
240.04224	2.4
241.05072	4.1
255.06660	1.1
299.10074	3.2
302.62564	0.9
313.10727	2.6
320.94012	1.0
343.10321	6.1
343.13977	78.5
344.14243	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
59.01381	1.8
60.80798	0.4
61.98824	0.4
63.26601	0.4
67.11001	0.4
69.59756	1.3
69.60174	1.4
71.01390	0.7
71.85205	0.4
74.67244	0.4
81.03456	0.8
83.05018	1.3
85.02937	0.4
87.00875	0.5
88.04040	0.4
91.05481	0.5
93.03464	2.6
93.07092	0.8
101.02428	0.5
109.06571	0.6
111.00941	0.4
111.04513	1.8
113.02413	0.5
118.98080	1.4
119.05040	0.6
121.02961	0.8
135.04527	0.4
137.06070	0.6
155.03505	2.8
169.08696	100.0
170.09029	5.1
173.04543	5.1
176.48131	0.4
179.00226	1.3
181.05099	3.0
227.28990	0.5
246.60306	0.4
342.37735	0.4
343.10233	0.9
343.13940	9.1
344.14377	1.5
347.13312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1033
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
57.03447	0.8
59.01381	4.5
65.00330	0.9
68.03786	0.3
69.33904	0.3
69.78452	0.3
71.01367	0.5
71.05011	0.4
71.53533	0.4
73.02947	0.9
74.99088	0.5
81.03457	3.6
83.01395	0.8
85.02975	0.4
89.02479	0.5
93.03431	0.5
95.05039	2.7
97.02953	3.0
101.02417	0.4
107.01402	0.6
113.02434	0.4
113.06161	0.3
118.98098	2.3
119.05007	1.3
121.02946	0.4
122.03740	1.0
125.02444	6.4
137.06085	30.3
138.06396	1.4
139.04033	1.0
142.73041	0.3
149.02498	1.0
151.00365	1.5
163.04002	0.9
170.77269	0.3
173.04565	0.4
177.05571	0.4
181.05067	100.0
182.05388	5.7
200.37239	0.3
205.05087	0.5
223.06088	0.7
225.11278	1.3
260.51981	0.3
269.06528	0.3
271.06174	0.5
299.09619	0.3
343.07748	2.4
343.14059	0.5
344.08780	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1032
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
51.14037	0.7
55.01856	0.8
57.80130	0.7
59.01378	14.1
59.07616	0.8
61.98813	1.8
70.37928	0.8
71.01387	7.1
71.41916	1.0
71.42277	0.9
72.02979	0.7
72.99300	0.9
73.02949	1.8
74.99100	1.1
83.01385	1.8
85.02949	3.0
87.00871	1.6
87.89804	0.8
89.02427	4.5
93.03477	1.3
95.01382	6.9
101.02442	4.9
108.02170	4.1
109.02962	5.7
111.00902	1.4
113.02435	2.8
118.98104	5.7
119.05029	2.5
121.02956	6.8
121.03714	1.0
121.48386	0.8
122.03681	1.8
123.00886	100.0
123.04486	5.4
124.01692	25.8
135.04506	1.5
137.02419	4.0
137.06102	0.9
138.03232	46.3
139.00426	1.5
139.04016	41.0
140.04376	1.7
148.01762	0.9
149.02463	2.3
150.03226	5.7
151.03983	1.7
153.01927	3.1
153.05597	0.9
159.45676	0.7
161.04477	1.2
163.03967	2.1
164.01167	2.0
165.01912	22.1
166.02710	8.8
167.03468	3.4
169.01398	1.4
169.08702	3.7
173.04573	0.9
177.01932	1.0
178.02675	1.9
179.03487	3.1
181.01396	1.4
181.05049	20.0
182.05379	1.1
193.05003	2.4
195.03009	1.5
197.04553	1.7
198.04791	0.8
328.07883	4.3
343.10345	56.5
344.10608	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	343.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.0
69.03468	1.2
71.01385	2.1
71.54041	1.5
74.12807	1.2
87.59353	1.0
99.94816	1.2
122.94505	1.1
139.05568	1.4
150.42857	1.1
151.00327	2.6
164.37822	1.2
167.05020	3.7
169.02963	1.5
171.04547	2.0
182.03664	1.3
183.04526	12.5
184.04796	1.2
185.02379	2.3
187.03996	2.4
195.04498	3.5
199.03876	2.1
201.01927	1.2
211.04018	17.9
212.04269	1.3
213.01901	2.0
215.03455	2.2
223.04008	3.5
227.03500	12.6
228.03850	1.4
229.04941	1.4
239.03482	17.1
240.03929	1.4
241.01300	1.7
243.02922	2.0
255.02994	18.2
256.03290	2.0
259.14954	1.3
267.02982	29.5
268.03271	2.0
282.01642	1.4
283.02484	96.7
284.02759	9.1
311.01965	100.0
312.02286	8.9
343.04562	72.0
343.21283	2.1
344.04825	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	343.046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70817	0.6
57.03414	0.5
59.01371	1.1
62.23001	0.4
65.00292	0.5
71.01385	0.6
71.28365	0.5
71.54109	0.7
79.23856	0.5
104.17207	0.5
107.01385	0.7
114.49833	0.7
119.01377	1.7
122.90783	0.5
147.00858	1.5
151.00319	0.9
155.04994	0.8
159.04564	0.6
160.92401	0.5
167.04947	0.8
169.01379	0.5
171.04489	0.6
171.10277	0.6
175.00363	1.4
176.01067	1.6
177.01904	1.5
182.04698	3.2
183.03000	0.6
183.04488	3.5
183.79526	0.5
185.02371	0.5
187.03937	0.8
189.49701	0.7
195.04527	1.2
199.00307	0.8
199.03981	2.3
200.01242	0.5
201.01886	1.9
202.99852	19.6
204.00159	1.4
210.03265	1.1
211.04004	9.6
212.04327	1.0
213.01913	3.8
215.03485	4.3
223.04002	0.9
223.13402	0.6
225.11063	0.5
226.02684	0.7
226.99908	0.8
227.03488	4.4
239.03490	13.2
240.03813	0.9
241.01352	1.7
242.02109	0.7
243.03067	5.3
244.03137	0.8
255.02986	8.6
256.03302	0.7
266.02060	0.6
267.02927	4.6
268.03168	0.6
269.00931	2.5
283.02463	9.8
284.02844	1.1
310.00986	0.7
311.01956	100.0
312.02313	10.3
343.04568	93.6
343.11560	1.8
343.21103	4.5
344.04919	9.4
344.09283	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.208
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04856	1.1
59.87571	1.0
60.44424	1.2
61.98830	100.0
64.75333	1.0
71.38342	1.5
75.11722	1.1
81.02365	1.0
81.25252	1.0
83.05026	1.3
104.50114	0.9
145.56741	1.1
151.00282	1.2
176.06882	1.1
184.99081	1.2
185.00768	4.2
189.13618	1.1
190.49008	1.0
216.98984	1.3
220.36043	1.2
278.92923	0.9
341.20123	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.4
69.03452	2.2
69.05014	0.7
71.01369	0.8
71.29264	1.1
80.02689	0.7
81.03423	0.8
83.05032	1.5
84.02179	6.9
86.45058	0.7
97.02953	1.7
97.06592	8.9
99.04504	1.2
125.09693	0.8
127.11288	0.7
135.08165	0.7
137.09708	0.8
145.16823	0.6
151.11385	0.7
156.45410	0.6
161.46764	0.6
163.11420	0.8
165.12895	0.7
171.10269	17.8
172.10625	1.0
175.11224	0.8
193.10542	0.8
193.12320	15.2
194.12634	1.1
197.15421	0.7
211.13409	3.1
221.11942	1.1
225.14948	17.7
226.15273	1.0
243.15985	7.7
244.16441	0.8
253.16322	18.2
254.16536	1.8
291.19617	1.0
298.31497	0.6
323.22296	0.7
341.18124	8.2
341.23291	100.0
342.18994	1.0
342.23660	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51912	0.5
59.01383	3.8
69.03452	2.3
71.01374	2.6
83.05015	2.3
84.02151	1.6
85.02940	0.6
87.79954	0.6
89.02435	2.4
97.02990	0.6
97.06594	13.0
99.04541	0.9
101.02426	0.8
113.02465	0.9
119.03526	0.7
125.09707	1.4
126.12782	0.6
133.35426	0.6
137.09726	1.1
145.57748	0.7
149.13330	0.7
151.00368	0.7
171.10249	6.1
175.11281	0.8
179.05545	0.7
179.53235	0.6
193.12328	17.1
194.12697	1.4
211.13380	3.4
221.11810	0.9
225.14954	22.0
226.15291	2.2
229.01805	0.7
243.16006	9.2
244.16216	0.7
253.16367	11.1
254.16672	1.0
291.19562	1.3
341.18301	4.6
341.23303	100.0
342.18958	1.0
342.23694	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	343.037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15176	0.2
59.01380	85.1
60.01717	1.1
61.98835	0.6
67.93930	0.3
70.53226	0.8
73.76423	0.3
111.20580	0.3
113.18370	0.2
146.17290	0.3
157.03575	7.2
158.03711	0.7
159.01500	2.1
201.02547	100.0
202.02705	9.8
281.10736	0.3
343.03683	2.6
344.03918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1087
Annotation	Trehalose
Peak:m/z	Relative Intensity
54.78165	0.6
55.01866	1.4
57.03437	1.6
58.00586	3.2
59.01379	99.5
59.65638	0.6
60.01721	1.5
70.68627	2.0
71.01382	72.8
72.01736	1.9
72.99300	3.3
73.02948	4.2
79.87769	0.7
83.01396	2.3
85.02942	8.8
87.00881	6.2
89.02444	100.0
90.02794	2.5
95.01387	3.3
101.02436	31.1
101.03111	1.6
102.02759	0.7
103.04046	0.9
113.02449	28.1
114.02802	1.1
118.60148	0.6
119.03506	32.2
120.03813	0.9
125.02440	1.0
131.03491	8.7
143.03499	10.3
144.35889	0.7
149.04556	72.0
150.04915	2.1
161.04568	10.6
162.04918	0.7
179.05609	38.6
180.05939	1.9
191.05598	2.5
227.08769	0.7
250.74561	0.8
308.14215	0.7
324.66278	0.8
341.10849	55.9
342.11307	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	1.1
57.76759	0.7
58.00583	3.1
59.01379	100.0
60.01707	1.3
61.98815	2.7
66.72288	0.9
67.92007	0.7
71.01381	61.3
71.32141	1.4
72.01709	0.8
72.99313	3.3
73.02937	2.4
81.93121	0.8
83.01382	3.3
85.02957	9.5
87.00877	2.5
89.02444	79.3
90.02789	0.9
95.01400	3.5
101.02441	32.1
113.01634	0.9
113.02448	26.4
119.03501	28.0
125.02415	2.4
131.03479	3.9
132.22125	0.9
139.04010	1.0
143.03477	8.3
149.04547	4.5
150.82440	0.8
161.04541	10.8
179.05605	40.5
180.05956	1.4
281.12268	1.9
305.06662	3.6
312.66989	0.8
324.21338	0.9
341.10889	53.4
342.11139	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	341.1239
Annotation	Bidenoside D
Peak:m/z	Relative Intensity
55.01859	1.1
59.01380	100.0
60.01718	1.1
69.03471	1.9
69.23661	0.9
69.51024	5.5
71.01381	53.7
72.99314	3.5
73.02946	71.7
74.03280	1.9
75.00823	1.4
77.21835	1.0
83.01386	19.2
83.05792	0.8
85.02978	5.1
87.00879	2.4
89.02446	16.7
93.03422	1.4
95.01411	1.4
99.00884	2.3
101.02442	56.3
107.05038	1.6
113.02452	14.7
118.98091	1.4
119.03560	7.6
119.05022	18.9
125.02439	1.7
131.03481	4.0
135.04579	1.2
137.06068	3.3
143.03499	4.9
149.02446	1.5
149.04553	3.1
155.03474	2.1
161.04549	9.8
164.04799	1.2
165.05470	1.1
179.03575	1.1
179.05609	4.4
181.10376	0.9
187.96245	0.9
193.05084	3.9
196.02010	1.2
211.04367	1.0
223.06056	1.3
238.94173	1.0
239.03798	1.1
260.04422	0.9
299.11301	2.0
303.62894	0.9
341.12244	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	341.1087
Annotation	Sucrose
Peak:m/z	Relative Intensity
54.23967	0.6
55.01867	0.9
57.03450	1.7
58.00592	3.8
59.01380	100.0
60.01707	1.1
69.56847	3.0
71.01381	72.2
72.01729	1.6
72.99310	3.1
73.02954	2.5
76.85849	0.5
83.01381	2.1
85.02956	10.0
87.00885	3.9
89.02444	90.2
90.02799	1.9
95.01393	4.4
97.02966	0.8
98.20626	1.2
99.00833	0.7
101.02441	35.8
102.02804	0.9
113.02448	27.3
114.02785	0.9
117.75990	0.5
119.03497	31.8
120.03871	1.1
125.02410	0.9
129.99844	0.5
131.03500	3.9
143.03503	8.6
149.04555	5.1
158.38997	0.7
161.04532	10.4
166.96521	0.7
179.05605	40.1
180.05923	1.2
191.05574	2.3
215.59468	0.6
221.49982	0.6
341.10861	56.5
342.11288	3.3
360.13657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	Trehalose
Peak:m/z	Relative Intensity
55.01878	1.1
56.94176	1.0
57.03442	1.8
58.00587	2.7
59.01379	98.2
60.01717	1.2
61.55866	1.1
70.40681	1.0
70.85625	1.6
70.85959	1.3
71.01382	65.5
72.01703	1.4
72.99306	2.5
73.02952	6.0
83.01423	1.5
85.02957	10.2
87.00865	7.6
89.02447	100.0
95.01395	4.4
101.01801	1.9
101.02445	34.5
102.74590	0.9
103.04005	1.6
113.02452	25.2
119.03497	31.5
131.03485	8.7
139.00400	0.9
143.03505	10.9
144.03708	1.0
148.20380	1.2
149.04555	88.7
150.04871	2.9
150.81033	0.9
153.60414	0.9
161.04544	9.9
161.58113	1.3
171.29143	0.9
179.05606	40.4
180.05949	1.8
191.05594	2.2
193.61147	0.9
227.53258	1.1
315.88394	1.1
341.10886	53.0
342.11276	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
57.03447	0.9
58.00606	0.6
59.01379	14.0
59.35526	0.5
61.98820	1.1
67.76849	0.5
71.01379	9.9
71.52966	0.6
72.99313	1.1
75.00876	2.5
85.02953	3.3
87.00859	1.3
89.02435	11.0
89.02940	0.8
93.03455	0.8
95.01388	0.9
99.00890	0.8
101.02437	5.7
107.01419	0.7
107.05051	1.3
111.86542	0.7
113.02457	4.1
119.03493	4.4
119.05024	1.9
119.70760	0.5
123.55062	0.5
129.01920	1.4
129.13576	0.5
131.03532	0.6
134.03789	3.2
135.04524	100.0
136.04836	3.8
151.00366	3.4
161.04547	1.4
163.04018	2.5
165.52864	0.6
167.07149	0.9
175.00421	1.0
177.04065	0.9
179.03491	97.0
180.03833	4.9
180.09337	0.5
191.03429	0.6
195.05081	4.9
341.08200	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	341.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.2
59.01381	100.0
61.98836	8.8
65.00350	1.1
69.46118	1.2
71.01383	71.4
71.51578	1.3
72.01714	1.2
72.99307	3.0
73.02910	3.1
74.68716	1.2
75.00873	1.9
77.62524	1.2
81.03479	1.4
83.01389	8.0
85.02950	9.5
87.00869	5.3
89.02448	83.2
93.03449	7.9
95.01360	4.8
99.00844	1.8
101.02448	31.7
109.02933	5.5
111.04523	1.7
113.02451	26.1
117.03426	1.5
119.03510	32.4
119.04992	11.4
121.02949	1.6
123.04508	1.8
125.02456	33.5
131.03482	3.6
133.02940	5.2
133.06590	44.7
134.03746	1.4
134.06943	2.5
135.04512	13.3
137.02461	9.8
139.04021	7.1
143.03505	9.0
145.06577	2.7
147.04526	15.8
147.08206	1.7
148.05165	1.2
149.04561	4.7
149.06059	9.4
151.00351	3.4
151.03984	1.9
153.02010	1.9
157.06590	8.4
159.04408	2.0
160.05301	14.4
161.02509	7.4
161.04529	11.4
161.05814	2.6
163.04027	1.6
163.07625	4.2
164.01105	2.6
165.01965	7.4
165.05536	2.7
165.09340	1.3
167.03447	8.1
173.06035	2.3
175.03947	3.2
175.07646	19.4
177.05569	18.6
179.03485	14.6
179.05576	38.8
179.07216	2.2
187.07582	4.1
189.05519	9.4
191.07156	1.8
193.04877	3.0
201.05533	3.8
203.03444	1.6
204.04178	1.9
205.04993	5.3
207.06610	5.1
217.60124	1.3
219.06689	7.9
221.04535	39.9
222.04858	3.9
234.32088	1.5
235.09798	1.4
261.00769	1.6
261.07553	2.4
263.05594	4.9
305.06668	46.3
306.06940	5.0
306.38983	1.6
323.07587	8.6
341.10736	41.0
342.08658	1.5
342.11490	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
56.32950	0.9
57.03452	1.4
57.87490	1.0
58.00597	2.2
59.01377	85.4
69.32027	5.3
69.32455	3.5
70.15588	1.1
70.17317	1.0
71.01381	61.1
71.13618	1.0
72.99303	2.5
73.02946	5.2
83.01394	1.6
85.02949	7.6
87.00871	4.6
89.02444	100.0
95.01389	3.9
101.02436	26.7
103.04020	1.3
103.53941	0.9
113.02445	20.8
119.03498	27.3
131.03526	9.4
138.92473	1.0
143.03482	7.0
149.04552	92.4
150.04910	3.2
161.04552	8.3
167.24667	0.9
179.05598	27.9
180.05968	1.7
191.05702	1.1
211.28651	1.0
341.10861	47.0
342.11276	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	341.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
58.00590	2.2
59.01378	95.5
60.01702	1.6
62.16198	1.0
66.58073	1.0
69.56606	5.9
71.01379	65.7
72.99297	3.4
73.02946	4.5
79.63157	1.1
82.65801	1.0
83.01401	1.8
85.02937	9.3
85.46370	1.3
86.98899	1.2
87.00889	7.2
89.02441	100.0
90.02770	2.3
95.01392	2.3
100.88996	1.3
101.02441	29.0
101.71193	1.2
103.04021	2.2
113.02447	25.9
114.02761	1.8
115.78419	1.0
119.03498	27.8
129.84978	1.1
131.03500	10.5
143.03496	7.8
149.04550	86.7
150.04898	3.2
161.04530	6.7
177.22606	1.1
179.05603	34.6
180.05888	2.1
191.05521	1.6
341.10867	52.0
342.11276	3.1
346.83856	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	339.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46533	0.4
57.03445	0.8
59.01385	2.4
67.01888	5.5
69.03454	1.3
71.01395	3.0
81.03461	1.4
81.07085	1.9
83.05056	0.9
85.02959	0.5
87.00871	0.8
90.57983	0.4
93.03461	29.2
94.03791	0.8
98.19849	0.9
107.55914	0.4
109.02962	0.9
109.26855	0.3
111.00869	0.8
111.04523	5.4
121.10194	0.6
127.04021	0.5
137.01495	0.4
137.02457	5.3
138.02806	0.5
142.53580	0.4
155.03519	6.1
163.04044	0.4
165.09216	16.7
166.09477	0.6
173.04553	100.0
174.04895	3.6
183.13934	1.3
248.98775	0.4
253.16304	1.5
260.27902	0.4
301.16479	0.9
339.08572	0.5
339.14526	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	339.2327
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
54.50177	0.5
54.79013	0.4
65.33032	0.4
70.07189	1.5
76.62145	0.6
105.14017	0.4
117.51041	0.5
119.13478	0.5
147.08199	0.5
163.11288	100.0
164.11601	5.5
185.56059	0.5
244.85648	0.5
276.15436	0.6
339.23264	98.1
340.23627	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	339.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
65.03955	0.6
66.22265	0.2
68.80335	0.2
69.03431	0.2
69.49751	1.4
69.69065	0.2
71.01377	0.4
72.00949	0.2
73.02969	0.3
81.03463	0.3
81.07097	8.0
83.05046	1.0
84.02178	0.6
85.02931	0.4
88.60019	0.2
93.03452	2.6
98.19874	0.3
111.04533	2.5
112.04881	0.2
112.53055	0.3
121.10249	2.9
127.04045	0.3
129.01921	0.5
137.02461	0.4
143.42393	0.2
155.03510	3.0
165.09207	100.0
166.09528	6.1
173.04546	4.7
174.04903	0.3
191.05690	0.5
207.07776	0.2
243.84689	0.2
320.82657	0.2
339.14493	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
58.00581	0.4
59.01377	1.1
67.01895	1.3
68.09872	0.4
68.41472	0.4
71.01392	0.6
83.05042	0.7
85.02950	8.0
85.03456	0.5
87.00874	1.8
93.03463	8.4
94.03776	0.7
100.59215	0.6
109.02911	0.6
111.04522	2.0
119.05025	6.7
127.03989	2.3
137.02460	0.6
145.02937	0.8
146.72705	0.5
155.03496	1.2
163.04004	6.4
164.04309	0.5
173.04547	10.0
174.04858	0.7
191.05609	100.0
192.05969	3.8
233.13664	0.5
244.65952	0.5
250.06566	2.1
250.08826	0.4
295.39929	0.5
327.08499	0.5
337.09311	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	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03439	0.6
59.01365	1.7
60.99298	0.5
67.01891	4.4
70.16857	1.3
71.01380	2.8
83.05008	0.5
85.02933	1.1
87.00875	0.7
93.03462	21.6
94.03792	0.6
102.98612	0.5
108.33479	0.4
109.02938	0.5
111.00883	0.6
111.04539	3.7
119.05025	15.7
120.05283	0.6
127.03996	1.2
137.02432	3.8
155.03505	3.7
163.04012	16.2
164.04347	1.1
173.04546	100.0
174.04887	4.6
188.09885	0.4
190.29778	0.4
191.05612	8.0
253.38060	0.5
337.09277	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	338.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18805	0.8
57.44578	0.7
66.13667	0.8
69.65315	3.2
71.01384	1.8
73.85881	0.7
79.90111	0.7
85.02914	0.8
89.02434	1.4
106.66460	0.8
126.05608	1.1
127.00266	0.9
144.06665	100.0
145.07007	3.9
149.04547	3.5
150.04849	1.5
158.04590	5.1
164.88022	0.8
338.08133	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	337.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31368	0.4
57.03447	0.5
59.01371	0.8
67.01885	2.0
69.03452	0.7
70.70560	0.5
70.70924	1.4
71.01372	1.6
71.29741	0.5
83.05028	0.7
93.03460	17.3
111.00867	0.8
111.04538	2.8
119.05022	8.8
121.74596	0.5
137.02449	2.8
139.88153	0.4
155.03510	3.9
163.04010	16.2
164.04369	0.6
173.04544	100.0
174.04909	4.1
191.05658	1.1
228.07245	0.6
315.43509	0.5
337.09381	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	337.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01372	2.0
60.99306	0.5
67.01890	4.6
69.03457	0.9
69.39862	2.4
71.01375	2.5
81.03453	0.4
83.05017	0.9
85.02939	2.8
87.00878	0.9
89.41451	0.4
93.03458	25.1
94.03803	1.0
96.85938	0.4
109.02951	1.4
111.00895	0.8
111.04528	4.7
113.02460	0.7
117.16579	0.3
119.05029	20.5
120.05359	1.0
137.02425	4.0
145.02956	0.5
155.03490	4.0
163.04013	15.5
164.04378	0.6
173.04544	100.0
174.04890	4.7
191.05606	14.5
192.05968	1.2
198.91553	0.4
327.08676	0.4
337.09259	5.2
338.09668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0928
Annotation	p-Coumaroyl quinic acid
Peak:m/z	Relative Intensity
59.01365	1.3
67.01894	3.1
69.03438	0.9
69.41885	2.6
69.42208	0.5
71.01376	2.4
81.03440	0.6
83.05005	1.0
85.02947	2.3
87.00887	0.5
87.69078	0.3
93.03460	18.1
94.03790	0.8
102.44244	0.4
109.02931	0.8
111.00878	0.7
111.04525	2.8
113.02490	0.3
119.05036	15.4
126.78342	0.3
127.04011	0.9
137.02438	2.6
145.02962	0.4
155.03473	3.2
163.04010	14.5
164.04343	1.0
173.04543	100.0
174.04880	3.8
191.05612	10.6
192.05933	0.5
337.09286	6.9
338.09488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.8
57.03444	17.1
58.97302	1.6
59.01374	6.4
67.01887	1.8
68.39606	1.3
69.31351	4.5
69.31776	6.2
71.01385	3.9
72.99291	3.3
75.00822	1.5
79.95726	2.2
80.96523	2.1
83.01381	7.8
84.02172	3.6
85.02950	100.0
86.03286	1.5
88.95640	1.3
93.03445	11.5
108.65426	1.3
111.00868	1.8
111.04494	2.7
117.03481	5.9
119.04140	2.5
119.05026	50.3
120.05428	1.8
129.01944	58.7
137.02425	3.8
145.02953	29.0
147.02977	35.6
154.99854	3.3
155.03519	2.7
160.05554	1.7
163.04016	54.4
164.04291	2.4
173.00914	57.4
173.04547	35.6
174.01320	2.3
174.04839	1.5
191.05675	8.9
191.38600	1.2
203.07141	3.4
231.06601	9.4
275.05573	2.1
286.41830	1.4
319.04596	3.1
327.08917	1.9
337.05606	8.0
337.08957	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	p-Coumaroyl quinic acid
Peak:m/z	Relative Intensity
56.38923	0.4
59.01387	0.7
67.01882	0.8
70.10454	0.4
70.26368	0.7
70.26710	1.3
71.01405	0.4
71.41685	0.4
83.05029	1.3
85.02950	4.1
87.00887	0.8
93.03465	7.2
94.03809	0.5
99.75789	0.4
111.04520	2.7
117.03441	0.5
119.05028	56.6
120.05356	2.6
127.04021	1.5
129.41844	0.5
135.04486	0.6
155.03487	3.1
163.04013	100.0
163.77029	0.5
164.04361	4.7
173.04538	14.2
174.04832	0.6
191.05615	39.4
192.05978	1.4
337.09290	8.7
338.09650	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01699	0.9
70.55828	0.7
71.01379	15.4
71.08181	1.5
71.75820	0.9
73.02937	1.0
83.01466	0.7
85.02955	3.8
87.00888	1.6
89.02448	24.5
93.03489	1.9
95.01414	1.4
99.00875	1.1
101.02451	8.1
113.02448	7.0
113.03082	0.7
115.04062	1.0
119.03504	9.2
119.05029	8.9
129.01991	0.8
130.08734	13.0
131.03540	1.6
134.90952	0.8
143.03535	1.7
161.04587	1.6
163.04002	10.7
173.04497	3.3
175.02518	1.7
179.05618	6.4
191.05649	1.6
250.06764	1.5
307.79626	0.9
327.08981	1.0
337.08020	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	336.94
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.9
62.73115	0.8
67.31046	0.6
69.87524	3.4
113.36324	0.8
134.96095	33.9
135.96162	2.9
136.94009	62.1
137.94081	4.5
151.92712	4.5
152.91768	31.4
167.90465	3.2
178.95059	100.0
179.95177	8.6
194.92801	53.9
210.90741	1.7
212.93855	1.7
247.87102	2.8
248.37263	0.9
248.87152	1.4
250.93941	1.8
252.91791	1.8
256.87704	2.7
274.88730	6.1
275.88812	1.1
287.85095	4.5
288.34872	2.0
288.84949	1.3
292.94977	12.0
294.85361	1.4
294.92932	13.9
295.93130	1.8
330.31708	0.8
336.93964	77.6
337.94131	9.6
354.84296	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	336.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
58.99604	43.2
59.01371	2.7
60.99313	0.5
67.01892	6.3
69.03449	1.1
69.38054	4.1
71.01374	3.5
74.99126	1.1
76.21928	0.7
81.03447	1.1
85.02949	1.3
91.05531	1.6
93.03462	28.1
96.00912	11.7
102.03834	1.6
102.98601	12.7
111.00882	1.4
111.04528	4.0
119.05039	15.4
127.04062	0.7
129.01961	0.8
137.02448	4.9
155.03526	4.5
156.01198	1.6
160.07681	4.0
161.06093	0.8
163.04024	21.2
173.04549	100.0
183.03070	1.0
188.07169	46.3
189.07530	4.0
191.00282	0.9
191.05624	4.0
227.96922	0.6
229.67644	0.6
248.07385	0.9
250.06606	1.3
271.56113	0.6
292.06497	7.4
336.05460	36.8
337.05740	2.7
337.09299	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	336.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
61.98830	100.0
62.91579	0.4
69.16857	0.8
69.17268	3.3
71.01374	0.8
79.91774	0.4
93.03468	1.5
103.65748	0.4
104.10703	0.4
109.02967	0.4
109.49413	0.4
119.05043	1.5
129.39497	0.4
137.02515	0.5
151.04015	1.7
163.04025	2.6
173.04543	4.7
191.05675	1.4
270.08139	0.4
335.64786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	8.1
57.03438	2.9
58.00581	1.5
59.01380	59.4
63.54782	1.5
66.29109	1.4
71.01382	39.5
72.99306	3.2
73.02958	1.4
83.88648	1.2
85.02955	7.0
86.91843	1.4
87.00867	4.3
89.02448	58.1
93.03462	3.5
95.01365	3.3
101.02442	23.2
109.02901	1.7
111.08163	100.0
112.08440	2.3
113.02441	17.5
117.03442	3.2
119.03502	20.5
119.04986	3.2
120.99635	2.3
121.02934	1.4
125.02412	5.9
128.57149	1.2
131.03465	2.5
135.04471	2.3
137.02422	9.2
143.03477	3.8
155.07137	90.8
156.07489	1.9
161.04536	3.2
163.03986	2.0
173.04492	2.2
177.01898	4.0
179.05571	11.1
203.03459	1.3
203.09200	1.4
277.29239	1.7
335.13486	7.4
335.20480	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	334.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16315	0.8
56.97107	0.8
59.01377	12.6
61.92414	0.9
61.98829	100.0
71.01387	4.0
71.51732	1.0
72.99290	1.0
80.42127	0.9
85.02951	1.7
87.00879	3.4
89.02438	4.5
93.03457	1.3
96.96004	1.0
101.02437	1.7
111.04487	1.9
111.08165	2.2
112.04057	2.2
113.02457	4.0
125.02440	1.6
132.98190	1.6
142.96652	1.4
146.99739	4.4
147.02916	1.3
148.00063	1.2
154.05009	1.2
155.03488	1.3
155.07135	2.0
160.97705	2.0
161.01384	1.6
174.99205	2.1
176.02707	1.0
189.00777	1.4
190.01137	1.4
192.95850	3.1
202.98737	1.4
244.99844	0.9
258.02759	0.9
275.00858	3.3
317.01913	1.4
334.07053	2.7
335.13516	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	35.0
70.84397	0.9
70.84760	1.0
73.02959	0.5
78.24701	0.6
91.01897	12.4
95.34441	0.5
112.79330	0.6
134.03748	1.3
135.00897	35.0
135.04526	100.0
136.01218	1.9
136.04852	4.6
153.01945	16.3
236.54993	0.5
253.04996	1.5
260.40991	0.6
271.06113	71.6
272.06488	7.7
351.94763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2071
Annotation	Sinulariolide
Peak:m/z	Relative Intensity
53.65733	0.7
59.01371	3.5
61.98834	1.8
71.01384	1.8
83.05066	0.9
98.19862	2.0
99.04515	11.6
109.06602	1.7
111.04558	0.9
119.84003	0.9
120.05802	3.7
121.06580	3.4
122.03719	1.5
123.08193	4.6
135.08195	5.6
137.06096	1.7
137.09764	2.0
139.07635	2.3
140.89125	0.8
147.08144	2.3
152.04808	1.1
153.09209	22.0
154.09549	1.3
165.09201	21.6
215.14423	0.9
219.10269	1.7
225.52516	1.0
259.20691	1.4
271.20654	2.0
273.18646	1.5
289.21735	49.3
290.21991	5.6
315.19644	1.9
333.20706	100.0
334.20993	11.6
339.29803	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2071
Annotation	6beta,7beta-Dihydroxykaurenoic acid
Peak:m/z	Relative Intensity
59.01373	1.8
61.98829	0.7
70.73404	1.7
120.05819	0.8
120.62564	0.5
122.03767	0.6
123.08169	42.7
124.08467	2.5
135.08170	37.0
135.09229	1.1
135.11787	2.1
136.08502	1.6
143.57545	0.5
152.91695	0.6
175.11263	0.8
175.48656	0.6
193.12321	12.9
194.12770	0.9
219.10283	1.3
271.20673	38.5
272.21082	3.8
289.21719	5.4
290.21964	0.7
315.19623	2.3
333.20715	100.0
334.21063	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	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81968	0.4
53.24629	0.4
59.01381	3.6
66.67356	0.4
69.45013	3.1
71.01387	3.4
73.02935	1.5
77.99223	0.4
78.03495	1.0
83.01379	0.6
85.02945	1.8
89.02434	0.7
92.05046	2.0
94.06623	4.0
101.02437	3.3
103.04244	0.6
104.05070	2.9
104.57922	0.4
105.03475	2.6
106.06627	12.5
106.07335	0.6
107.03751	0.7
108.04546	1.9
111.67814	0.5
113.02424	0.9
120.04545	5.1
121.05334	1.4
122.02509	0.5
122.06122	14.9
123.03294	2.1
123.06424	0.5
124.07685	0.9
126.98714	0.5
131.03777	1.0
132.04556	8.6
135.03191	0.6
138.05606	22.4
139.05959	1.3
139.11203	1.0
140.07208	0.7
148.03990	1.0
150.05589	2.4
159.21106	0.4
161.04538	1.6
174.12839	1.1
174.75116	0.4
180.04492	0.4
183.10240	0.6
188.07205	0.5
189.07903	1.4
201.11284	2.5
202.12228	1.0
203.09401	0.5
213.06693	0.9
215.11865	1.7
217.07448	1.7
229.09657	0.7
231.09010	1.0
231.11346	1.4
241.09779	2.4
243.11363	1.5
259.10989	0.5
271.10757	0.9
289.11926	100.0
290.12262	9.4
333.10913	9.6
333.15262	1.4
333.19119	0.8
334.11191	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2072
Annotation	5,20-diHEPE
Peak:m/z	Relative Intensity
59.01387	5.2
61.98822	2.8
71.01387	6.8
71.52663	2.4
73.02950	12.7
83.05021	6.2
85.02935	2.7
93.07086	6.9
95.05035	2.9
97.06544	3.0
99.04518	4.1
99.26750	2.2
102.72686	1.9
105.86578	2.5
109.06572	8.9
111.04540	2.8
111.08163	13.5
121.06591	34.9
123.08186	4.1
133.06552	4.1
137.06090	7.4
139.07651	95.9
140.07971	2.9
149.06076	16.2
151.07626	18.0
163.11191	5.4
167.07152	18.7
169.08749	2.7
175.11249	2.2
189.09171	3.3
191.50125	2.0
198.45531	1.9
223.14966	2.3
241.15919	4.1
253.15962	3.9
259.13339	3.1
263.14539	4.3
267.17456	12.3
269.15253	2.2
271.16962	2.8
279.17502	3.6
285.18613	31.8
286.18887	2.6
287.20078	2.6
297.18604	30.2
298.18735	6.3
303.19638	100.0
304.19897	11.8
315.19513	12.5
333.17230	2.5
333.20663	9.1
343.57016	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	333.0616
Annotation	Jaboticabin
Peak:m/z	Relative Intensity
51.03925	1.4
57.03439	1.5
59.01377	5.3
62.63603	1.5
65.00321	13.3
67.01891	2.9
69.03470	1.9
70.54261	5.3
71.01394	4.1
77.03941	1.9
81.03446	2.9
81.10667	1.7
83.01385	5.0
87.00862	1.5
87.69152	1.8
91.01888	6.9
92.67157	1.9
93.03459	4.4
95.01389	4.8
97.02936	18.0
99.04471	1.6
106.06630	2.2
107.01382	11.3
109.02958	16.8
111.00890	2.4
115.05532	2.2
117.03449	3.0
119.05004	2.2
121.02938	7.3
123.00823	2.2
125.02458	19.1
127.42608	1.6
130.08705	1.6
133.02986	2.0
133.06615	2.2
135.00891	16.3
135.04489	1.7
137.02452	40.6
138.03206	4.9
139.04042	11.2
143.05011	3.1
145.02986	3.3
147.00848	7.5
147.04504	2.9
149.02422	4.6
149.05969	1.8
151.00417	2.5
157.06595	4.8
159.04521	7.3
161.02467	3.5
161.06059	2.6
163.00378	55.2
163.03992	2.1
164.00909	4.2
165.01898	32.3
166.02501	1.7
167.03494	71.5
167.04942	3.5
168.03842	2.9
171.04539	3.0
173.02428	1.8
173.05981	2.6
175.00378	4.4
175.04065	2.0
177.01904	5.1
177.05548	2.8
183.04495	3.2
185.06068	4.9
187.03987	8.5
189.02014	2.4
189.05537	2.0
191.03496	5.1
192.00629	5.1
193.01488	2.7
195.02989	4.6
199.04079	2.1
201.05582	8.5
203.03511	2.9
205.05008	9.8
207.02917	2.5
211.03966	6.2
213.01999	2.4
213.05559	2.8
214.02646	3.3
215.03543	10.9
216.04120	1.7
217.01355	2.5
217.05107	3.1
227.03542	5.7
228.10329	2.0
229.05055	38.7
231.02960	2.1
233.04514	6.9
239.03601	2.9
245.04529	4.6
253.09987	1.9
255.02914	8.8
257.04538	21.3
258.01547	2.7
273.04047	14.5
283.02472	8.3
287.05685	4.9
301.03510	100.0
302.03833	8.7
315.05026	2.3
333.06122	14.6
333.10306	3.3
333.20511	2.4
334.06439	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	333.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	15.1
59.01379	19.3
60.22405	1.0
61.98819	1.8
67.01885	1.4
69.03452	11.1
71.01385	1.8
72.99310	3.9
81.03442	1.5
83.01388	2.0
83.05029	3.3
85.02940	7.6
87.00877	100.0
88.01217	1.7
93.03483	2.2
93.07098	2.7
94.06631	3.4
95.01373	1.3
95.05008	6.9
96.96012	3.5
97.02959	1.5
97.06573	4.8
101.02473	1.3
108.04556	2.0
109.06574	15.5
111.00876	4.0
111.04505	5.3
111.08155	3.2
113.02447	20.5
115.04017	1.2
115.07618	1.1
119.04985	3.7
121.05333	5.0
121.06599	4.0
122.05334	2.1
122.06130	25.3
123.04513	5.0
124.07722	1.5
125.02383	1.4
127.67357	1.1
128.13713	1.1
131.03487	7.0
137.06110	6.2
139.04013	13.7
139.07642	4.8
145.03018	1.6
145.06560	1.6
149.04526	1.4
153.04338	2.5
155.07114	5.2
157.08707	1.6
159.06635	5.2
163.07658	1.5
165.05585	9.4
166.05035	1.4
169.02599	1.9
173.06065	2.5
175.02448	4.4
175.03917	1.2
181.05055	2.6
183.03011	2.8
183.06654	14.7
191.07068	6.4
192.07280	1.6
199.06087	2.4
201.03925	1.2
201.07669	6.6
206.08057	1.1
209.04524	20.0
210.04979	2.1
222.96741	1.2
235.06096	3.3
245.06569	2.2
245.12914	20.7
246.13148	1.6
253.03514	6.5
268.03693	2.2
269.04440	2.7
271.04660	5.7
271.10867	1.9
289.11899	8.4
290.06729	1.5
333.04956	3.9
333.11548	2.6
333.18997	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	332.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73722	1.1
55.61935	1.2
59.01369	2.1
60.14685	1.2
60.65205	1.2
61.98832	100.0
63.22974	1.4
66.90385	1.1
71.30232	2.0
91.01915	2.7
92.77541	1.2
93.03460	1.2
109.02985	1.9
113.33248	1.3
133.02953	21.3
135.00917	5.7
167.03497	2.1
201.05556	1.6
269.04550	71.4
270.04822	6.2
301.03616	1.5
301.06958	1.2
333.70392	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	7.2
57.28849	0.7
59.01389	6.6
61.98828	7.4
63.02399	3.8
65.00320	7.2
67.01876	1.9
69.55421	4.1
71.01376	1.6
73.02951	0.9
74.75381	0.8
77.53570	0.8
81.03463	1.5
81.95850	0.7
83.01386	7.9
85.02969	0.8
87.00903	1.1
93.03443	5.0
95.01385	2.8
95.04959	0.8
98.20677	0.9
100.23861	0.7
107.01395	7.1
107.05022	2.1
109.02969	5.3
111.20684	0.8
113.02448	1.4
115.05466	0.9
117.03489	1.9
123.04537	1.1
124.01652	1.3
125.01537	1.4
125.02447	24.4
126.02795	1.2
130.04225	0.8
131.05008	3.3
133.02939	2.8
135.04529	8.2
137.02454	7.5
143.05038	2.0
145.02943	1.1
147.04471	1.3
149.02382	1.0
149.06081	2.1
151.00366	11.7
151.03970	1.5
157.08734	0.8
159.04501	6.2
161.02422	2.6
163.00377	2.8
165.01932	2.2
169.01404	0.9
171.04549	2.1
173.06090	2.2
174.03143	1.1
175.03975	7.3
177.01941	3.7
177.05556	3.4
178.99887	1.2
179.03474	2.0
183.04495	2.4
187.03995	2.0
189.05569	2.2
191.03531	1.3
193.01262	0.7
199.04010	4.2
201.01894	1.3
201.05666	1.5
201.07666	3.6
201.11369	2.5
203.03459	5.3
214.02753	1.4
215.03453	6.0
217.05046	4.9
219.02921	1.1
227.03442	6.6
229.01360	1.2
233.04738	1.1
243.03006	4.7
245.04527	3.0
261.03967	1.4
271.02551	4.4
289.03543	100.0
290.03909	10.1
333.02557	5.4
333.11707	1.1
333.15491	1.6
333.19229	3.0
335.63156	0.9
345.88260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.3
59.01365	0.9
60.99314	3.3
64.69696	0.5
70.99871	1.2
75.98782	0.5
83.04566	0.8
83.05026	8.6
89.35210	0.5
93.07115	0.5
97.06639	0.7
107.05016	1.2
107.27089	0.5
109.06580	3.1
111.08173	4.0
121.06575	1.8
122.26196	0.4
123.08163	3.2
133.10202	0.7
139.07590	0.8
147.08119	0.9
147.11809	1.3
152.16464	0.6
163.11180	0.6
173.83614	0.5
195.51552	0.5
225.16502	2.7
233.86140	0.5
239.18073	2.1
241.19653	6.4
242.19931	0.6
243.17471	0.7
255.17584	0.7
257.19119	4.3
259.20682	2.4
269.19058	5.6
270.19415	0.4
276.96161	0.5
285.18649	3.2
287.20221	5.5
303.19580	0.8
313.18088	33.1
314.18365	4.6
331.19135	100.0
332.19489	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	331.1914
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
57.03447	2.5
59.01373	1.0
61.98813	0.7
69.03456	1.0
71.42508	0.7
81.03468	0.7
83.05029	3.6
107.05035	4.1
108.30436	0.4
109.06593	6.1
121.06612	0.8
123.08164	8.1
124.08464	0.4
133.06602	9.0
134.06929	0.4
135.04544	1.4
136.05295	5.7
139.07666	0.8
149.06075	0.4
151.07645	81.9
152.07964	4.9
163.11185	0.4
175.14897	0.7
185.13358	1.0
191.10695	1.9
203.14418	1.5
217.16039	0.9
234.16025	0.4
235.09715	0.8
250.12141	0.4
253.15987	0.7
269.19122	1.3
271.16992	0.9
282.11005	0.7
331.19131	100.0
332.19479	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	331.1914
Annotation	Inflexarabdonin I
Peak:m/z	Relative Intensity
52.34898	1.0
54.06933	1.0
56.22413	0.9
57.03439	3.2
59.01373	2.2
61.98811	1.6
71.01380	3.6
71.04989	1.3
71.52518	1.5
72.99303	3.6
73.02950	1.8
83.05028	24.2
85.02969	2.5
87.00877	1.2
93.07075	2.2
95.01318	1.1
95.05019	4.7
98.03729	2.1
99.04543	2.5
107.05036	7.8
109.06580	5.0
111.04473	1.3
111.08125	1.5
121.06604	24.9
122.03748	2.7
123.04530	6.7
123.08151	1.7
124.05320	1.1
133.06624	1.8
134.03734	2.6
135.08116	1.1
136.05310	1.5
137.06073	4.7
139.07645	14.3
140.08026	1.2
145.10219	2.0
146.21698	1.0
147.08167	2.0
148.08899	2.2
149.06079	100.0
150.06421	4.6
151.03961	2.0
151.07661	7.5
159.62274	1.1
161.09714	6.3
163.11288	59.2
164.11594	3.9
167.07104	6.2
169.08658	2.6
171.08112	3.1
175.07405	1.2
177.05573	3.6
189.09198	2.2
199.07683	2.7
201.09114	1.4
201.12778	1.7
215.14348	1.7
217.08691	2.8
227.14479	1.3
229.15900	2.7
235.09682	2.8
241.16074	2.7
255.13884	1.3
255.17612	1.2
257.15411	2.4
259.17007	1.7
267.17480	8.7
268.17816	1.7
269.15659	1.6
271.17014	2.7
273.18567	3.3
283.17007	2.1
285.18558	9.5
287.16562	1.3
295.17029	7.1
296.83527	1.1
301.17822	6.7
303.19675	5.5
304.20010	1.0
313.18091	76.2
314.18396	8.3
315.16034	17.5
316.16443	1.2
331.19141	18.6
332.19357	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	331.1914
Annotation	PGA3
Peak:m/z	Relative Intensity
51.31848	0.9
54.50171	0.9
57.03437	3.9
60.99295	2.8
69.87704	1.6
69.88114	4.1
73.01118	1.0
83.05018	8.8
86.37788	1.1
98.19964	1.4
107.05074	1.1
109.06583	3.2
111.08138	4.0
121.06607	1.3
123.08159	2.3
147.11816	1.5
156.53880	1.4
225.16434	3.5
241.19592	6.6
242.19966	1.1
255.17577	1.2
257.19135	3.7
259.20612	2.8
269.19077	6.6
284.30371	1.1
285.18646	2.1
287.20172	6.0
287.86746	1.0
313.18082	34.8
314.18356	4.9
331.19128	100.0
332.19476	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	331.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81039	0.5
59.01377	1.1
59.27237	0.5
60.99007	0.9
60.99307	13.6
71.51774	1.1
73.06286	0.5
79.05075	0.5
83.05038	1.7
101.49589	0.5
107.05023	1.1
109.06567	0.8
121.06618	4.4
123.08141	0.8
133.06615	2.1
134.07370	3.7
135.08177	2.4
135.11778	1.0
136.05298	0.8
139.07675	3.8
149.06082	5.6
151.07661	3.6
153.09227	2.1
158.35172	0.6
163.03979	0.8
163.11295	2.9
166.06343	1.0
171.08162	0.7
173.09715	53.2
174.10042	3.4
188.12021	4.0
213.13080	0.9
220.11079	1.2
227.18051	1.1
230.16884	0.6
253.15944	1.1
254.16162	0.6
269.19101	88.4
270.19452	9.5
287.20135	10.5
288.20374	1.0
313.18137	4.8
315.15930	0.6
331.19141	100.0
332.19482	12.2
332.93555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	2.6
59.01379	30.1
60.17618	1.2
69.12634	1.4
71.28571	1.7
79.00187	1.4
83.05022	3.1
88.19273	1.4
91.07230	1.2
96.91096	1.4
144.41942	1.4
201.12851	2.3
240.08112	1.4
243.72125	1.5
257.19092	2.0
269.19092	15.8
287.20154	100.0
288.20514	13.8
313.18073	7.2
331.19073	22.1
332.19321	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	331.1035
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
57.03448	1.9
59.01373	2.1
69.03448	0.6
71.01385	2.1
71.52107	0.8
71.52470	0.5
73.02949	1.0
81.03450	1.2
83.01387	5.1
85.02943	3.3
87.00877	0.6
89.02414	0.4
93.03448	0.6
95.01397	0.5
97.02933	0.6
99.00841	0.5
101.02422	1.1
103.26908	0.5
107.01423	1.6
108.02164	0.8
109.02908	0.5
109.84931	0.5
110.00091	6.4
113.02475	2.5
121.02952	0.8
123.00889	1.0
123.04537	1.0
124.01654	2.1
125.02446	35.2
126.02821	1.3
134.11626	0.5
136.01648	0.6
137.99580	8.3
138.03241	0.6
139.00427	2.3
140.01146	0.7
149.99585	2.1
151.00368	6.8
151.04042	0.7
152.01147	2.4
153.01930	100.0
154.02551	5.5
154.86702	0.4
155.03471	1.8
157.08754	0.7
161.04523	1.6
166.02730	0.8
167.03491	12.2
168.00673	5.3
168.04272	50.0
169.01411	37.6
169.05049	11.4
170.01799	2.1
179.03485	0.8
191.03464	0.9
191.05545	0.6
194.81758	0.5
196.03822	0.8
209.04697	1.2
211.06046	0.8
212.07567	0.4
221.04410	0.6
270.05569	0.5
313.05679	1.9
331.06668	17.3
331.10352	6.3
332.07016	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54293	1.3
55.01879	43.8
57.03456	8.1
59.01373	4.4
69.03457	15.4
71.01376	8.2
71.05013	5.1
73.02930	1.6
75.00886	6.3
79.62988	1.5
85.02943	5.6
89.02455	4.7
98.19867	4.1
101.02425	5.6
111.08154	5.5
113.06123	3.5
123.08124	2.7
129.01945	80.7
130.02319	3.0
139.11296	25.2
147.02998	61.7
164.04741	1.4
182.42542	1.4
183.10262	100.0
184.10565	6.9
229.88403	2.1
314.43085	1.7
331.13989	67.6
332.14288	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	331.067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14939	0.6
57.03444	1.2
59.01378	24.7
67.01864	0.8
69.03455	0.9
71.01381	14.8
71.51269	0.9
72.99310	1.7
73.02927	1.6
79.01904	1.1
81.03443	1.0
83.01373	4.1
85.02959	3.6
87.00877	2.4
89.02435	8.6
95.01374	2.8
99.00866	0.9
101.02440	7.8
107.01399	4.5
108.01473	1.4
108.02171	20.0
109.02965	4.6
110.02489	1.1
113.02453	4.3
113.96992	0.7
118.96589	1.1
119.03503	2.0
122.06113	1.9
123.00890	14.7
123.06436	1.6
124.01663	1.4
125.02449	32.3
126.02789	1.5
132.98192	1.5
133.05038	2.6
136.07678	1.0
139.00349	5.0
140.01192	1.0
141.01944	1.6
147.90117	0.6
149.99562	1.6
150.05585	2.9
150.99182	1.5
151.00360	19.6
151.03975	2.0
151.05916	4.3
152.03555	1.0
153.01941	1.1
158.99794	1.7
159.03061	0.8
161.04556	5.7
165.03955	0.7
167.03467	1.2
168.00656	7.0
169.01419	53.8
170.01790	1.9
170.99741	0.9
172.97682	0.8
174.99161	1.7
186.99255	1.1
193.01376	1.6
206.55849	0.7
211.02480	11.5
212.97134	0.8
214.98691	4.1
241.00169	0.9
270.97852	3.5
271.04581	8.0
271.08200	3.3
282.89334	0.7
313.04459	0.8
313.11295	4.3
331.00027	2.7
331.06677	100.0
332.07004	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	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.67760	0.5
58.53761	0.6
69.03446	1.5
69.66895	3.6
74.96590	0.6
79.01891	1.3
81.03458	0.8
83.01405	1.0
97.02929	1.5
103.72887	0.6
107.01401	1.3
107.44398	0.5
118.71928	0.5
123.00884	2.2
123.04636	0.6
124.01672	13.1
125.02451	54.6
126.02782	1.7
137.02394	0.9
143.49681	0.7
149.99591	25.7
151.00291	1.9
153.01961	0.6
167.03534	1.0
168.00644	49.0
169.01408	11.0
177.69839	0.6
193.01390	0.7
313.05624	7.0
314.06079	0.8
331.06702	100.0
332.07117	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	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.38983	0.8
51.63039	0.8
59.01373	2.1
69.03448	1.8
70.68404	1.2
70.68739	1.1
71.01376	1.8
79.01891	1.5
81.03469	0.8
83.01380	2.3
89.02447	1.0
97.02924	2.2
103.00333	0.8
107.01376	2.2
108.22546	0.9
109.02963	0.8
115.00372	0.9
123.00882	5.2
124.01673	10.6
125.02452	66.3
126.02774	2.2
133.01422	2.1
149.04605	0.9
149.99596	19.4
151.00404	9.1
160.80363	0.7
168.00641	48.9
169.01425	43.2
170.01682	1.8
182.97835	1.0
193.01373	1.8
204.98819	0.8
211.02473	2.8
214.98788	1.2
242.99980	1.4
271.04794	0.8
273.38986	0.7
313.05679	6.0
331.06699	100.0
332.07043	6.3
347.56110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.2
59.01369	0.5
62.45763	0.2
65.99860	0.5
69.99284	0.5
69.99676	0.4
71.01386	0.3
72.44785	0.3
72.99320	0.2
76.57175	0.2
87.00878	0.2
93.03455	1.1
106.77560	0.2
109.02970	0.8
111.00783	0.2
118.98563	0.2
120.75396	0.2
121.17056	0.2
124.01673	0.3
137.02434	2.9
138.03236	6.7
139.03542	0.3
155.10867	0.3
167.02235	2.8
168.03020	100.0
169.03378	4.6
200.85153	0.2
219.01402	0.2
222.75975	0.2
225.09229	1.0
241.08812	0.6
269.08475	0.5
285.07581	0.3
287.09286	0.9
300.02350	0.3
330.08286	21.6
331.08475	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	331.059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96678	3.1
57.03446	9.4
59.01376	44.5
69.03458	10.8
71.01401	15.7
71.52189	3.3
72.99298	3.4
73.02950	2.9
83.05070	2.7
85.02964	7.5
87.00881	4.3
89.02470	3.4
92.50157	3.1
93.03473	18.7
97.02944	12.8
98.63070	3.0
101.02427	10.4
108.02180	4.5
111.04545	4.4
112.98846	3.1
113.02449	3.6
119.05023	28.2
121.02982	5.3
125.02446	35.9
133.06528	3.4
143.04961	8.5
145.02966	5.3
145.06583	18.2
147.04527	6.7
152.07147	3.9
157.08694	74.7
161.04756	3.1
161.06049	8.2
163.04021	4.6
163.07616	29.8
168.00645	13.2
169.01431	47.9
169.05081	14.7
171.04506	3.1
173.04572	12.1
173.06084	21.2
174.01715	20.3
185.09372	6.1
189.05624	4.0
191.05553	15.4
191.07120	100.0
192.07442	3.6
211.07655	4.4
212.09384	3.8
235.06094	69.1
236.06438	5.6
295.07986	5.0
313.05670	7.2
327.08636	6.4
331.06583	44.6
331.10309	5.5
331.14014	10.2
331.19595	3.1
332.07288	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	329.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.6
59.01377	3.7
60.07767	0.4
62.96634	0.4
69.31818	2.7
69.32240	0.9
70.08868	0.5
83.01391	0.7
92.16069	0.4
120.99657	100.0
121.99990	1.6
123.00868	1.0
127.55043	0.4
148.07658	1.3
174.05629	0.7
199.11661	2.2
206.08260	1.2
235.67041	0.4
287.13339	0.5
301.03714	0.6
320.40192	0.4
329.02628	1.1
329.06702	0.7
329.10541	0.6
329.14310	1.5
329.22833	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03445	1.4
59.01380	2.8
61.29772	0.4
63.56275	0.4
64.12563	0.4
69.03456	0.4
70.48792	1.0
83.05039	0.6
85.02977	0.5
97.06570	0.4
99.08157	5.6
125.09705	1.8
127.11287	3.5
127.93385	0.4
128.00374	0.4
129.09216	0.5
137.09669	0.4
139.11292	5.9
152.46584	0.5
155.10805	0.8
155.14380	0.8
157.12346	0.6
162.41307	0.4
165.12863	0.9
167.14407	1.4
171.10258	17.1
172.10587	1.1
183.13904	6.2
183.28140	0.4
184.14249	0.4
192.81151	0.5
193.12372	1.9
199.13402	0.6
209.11841	1.6
211.13387	28.3
212.13728	1.8
212.55859	0.4
229.14435	14.1
230.14766	1.2
259.78589	0.4
288.80554	0.4
293.21249	1.4
311.22363	0.8
329.23315	100.0
330.23663	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	329.1393
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
52.11646	0.6
52.53045	0.6
57.03442	0.9
59.01386	8.7
69.38949	3.8
69.39359	1.3
71.01385	1.9
73.02955	0.7
77.87289	0.6
80.95337	0.7
85.02954	0.7
87.00869	0.6
93.03466	1.8
101.02463	0.6
108.02159	0.7
109.02960	0.7
110.21064	0.5
112.41482	0.6
115.05534	1.0
117.41605	0.6
119.05017	1.0
120.99651	3.9
121.02957	11.4
121.46715	0.7
122.03744	2.3
123.00896	1.9
123.04555	1.5
124.01668	1.9
125.97364	0.6
131.05002	1.8
135.04558	0.7
136.01689	1.0
136.05316	1.8
137.02478	2.1
137.06108	1.2
143.05055	3.0
145.02988	1.6
146.03670	1.1
147.04526	9.5
149.02435	4.0
149.06071	0.9
150.03235	16.6
151.04008	1.3
153.05550	0.8
158.03725	11.5
159.04520	34.6
160.05305	82.4
161.06082	32.6
162.06456	1.8
163.04015	14.4
164.04807	11.5
165.05313	0.6
167.03561	1.0
173.06082	10.9
175.07646	56.2
176.04771	1.1
176.07977	3.5
177.05583	15.7
178.06357	12.8
179.03549	0.8
192.07816	1.0
193.08728	7.6
197.11761	0.9
257.08228	0.8
299.02048	1.4
299.12772	0.6
314.04370	1.5
314.11624	2.0
315.12177	0.6
329.13934	100.0
330.14246	13.4
331.75305	0.6
335.47842	0.6
351.46353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70091	0.3
59.01381	3.4
59.93313	0.4
65.03957	0.4
70.01488	1.5
71.01376	2.1
81.07095	6.2
83.05039	0.8
85.02951	1.0
87.00884	0.9
89.02422	1.1
93.03454	1.8
93.07146	0.4
95.05047	0.6
101.02431	0.9
104.28396	0.4
107.53426	0.4
109.02945	1.4
111.04518	2.4
113.02465	0.5
119.03512	0.6
121.02981	0.7
123.04556	0.6
125.02440	0.4
125.06097	2.3
127.04053	0.4
129.01944	0.8
137.02449	1.0
137.80095	0.4
138.05571	2.0
149.02435	1.0
153.01987	0.5
155.03683	2.4
155.07140	100.0
156.07483	4.4
167.03497	1.4
173.04549	4.8
183.18739	0.4
191.05798	0.4
209.04561	0.9
220.53745	0.4
293.12454	1.3
329.08792	2.5
329.12454	8.4
330.12778	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62523	1.8
53.02548	1.7
55.70914	1.6
58.99593	2.1
71.01388	4.5
71.51929	2.1
71.52299	2.2
87.00907	2.4
88.21034	2.3
89.02448	30.5
115.14407	1.6
117.99715	1.7
131.03529	5.6
141.19934	1.6
144.34743	1.8
149.04559	100.0
150.04924	2.4
210.05074	1.7
214.85812	1.7
305.51794	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	329.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	100.0
58.03789	1.6
59.01396	0.4
63.96164	0.4
69.03473	1.1
69.48795	1.1
69.49213	1.4
73.02945	3.6
83.01394	8.8
98.19944	0.8
101.02441	9.5
127.00381	20.4
128.00729	0.6
139.11322	0.9
145.01443	12.8
183.10258	4.4
288.61832	0.4
329.12393	18.0
330.12698	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05410	0.7
57.03449	1.3
59.01379	63.4
70.02512	2.5
70.02914	1.4
71.01392	4.3
73.02961	1.0
75.01559	0.6
81.03464	4.2
83.01395	3.1
85.02946	2.0
93.03452	2.2
99.04472	0.8
101.02426	3.2
113.02454	1.3
119.05043	0.9
123.04523	35.0
124.04829	1.4
125.02438	5.9
137.02440	1.6
147.04619	0.8
149.02411	1.2
151.00388	1.0
161.04532	2.7
161.09743	1.2
163.04024	2.0
167.03491	100.0
168.03819	4.6
173.04570	0.8
175.00507	0.7
180.26035	0.8
181.05037	2.8
191.03499	24.5
192.03789	1.2
209.04524	9.0
221.04541	2.5
256.09671	0.7
269.10416	3.4
273.08929	1.1
329.08627	3.2
329.11774	5.1
330.08810	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0879
Annotation	32142-31-7
Peak:m/z	Relative Intensity
57.03452	1.0
59.01381	29.3
65.91698	0.4
68.49170	0.5
70.27425	1.2
70.27773	0.5
71.01395	1.5
71.24257	0.4
81.03455	4.2
82.03728	0.5
83.01392	2.7
85.02939	0.8
93.03458	1.0
95.05019	1.4
97.02979	0.6
98.20589	0.6
101.02438	0.8
107.01382	0.8
119.05077	0.6
123.04530	34.7
124.04900	1.2
125.02470	5.0
131.01369	0.5
135.04553	0.5
137.02463	0.9
139.03973	0.5
149.02501	1.1
151.00368	1.4
151.03987	1.1
161.04604	0.8
163.04005	1.9
166.02689	1.0
167.03497	100.0
168.03845	5.2
173.04549	0.7
175.00316	1.1
179.03517	1.0
180.04247	0.5
181.05023	2.9
191.03506	25.8
192.03821	1.4
209.04562	10.0
210.04930	0.6
221.04582	3.1
266.63300	0.5
269.06570	0.7
269.10324	0.9
329.08496	6.0
329.11960	0.9
330.09000	0.7
342.64847	0.5
351.12195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03436	0.6
59.01365	1.7
61.82875	0.6
63.03794	0.5
69.67970	3.3
71.01407	1.0
72.36917	0.6
74.41851	0.5
77.55332	0.5
81.03008	0.7
81.03453	7.0
83.01369	4.5
85.02959	0.6
89.02451	0.9
93.03461	1.6
95.05026	11.2
96.05396	0.6
97.02950	2.4
98.19907	1.1
99.04541	3.7
100.89186	0.5
107.05057	0.8
109.02939	0.7
111.04596	1.0
121.03015	0.7
122.03738	2.4
123.04522	16.4
125.02441	14.0
126.02795	0.9
137.02438	2.1
137.05112	1.1
137.06090	13.1
139.04034	2.1
141.05608	1.3
149.06079	1.0
155.03529	0.7
163.00313	0.6
165.01898	0.7
165.05597	3.1
167.03493	44.0
168.03847	2.4
172.77345	0.6
177.05617	0.6
179.03484	7.4
181.05099	2.9
190.18373	0.5
193.05031	2.4
197.04558	2.1
206.02121	1.2
209.04544	100.0
210.04897	5.5
221.04558	2.5
239.05591	24.3
240.05952	1.5
251.05582	1.1
311.07602	1.0
329.08777	8.1
329.12396	1.2
330.09146	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	329.0879
Annotation	32142-31-7
Peak:m/z	Relative Intensity
52.00798	0.3
57.03453	0.7
59.01367	1.0
65.00311	0.6
67.01860	0.4
69.61072	1.9
74.27090	0.4
76.92652	0.3
78.37170	0.4
81.03454	4.8
81.21822	0.3
83.01380	2.6
95.05021	0.8
123.04524	29.5
124.04865	1.2
125.02437	5.7
149.02434	0.8
150.27560	0.4
151.00385	1.7
163.03989	0.6
167.03494	100.0
168.03825	4.9
191.03465	0.6
208.86104	0.3
209.04543	0.7
302.00339	0.3
309.01627	0.3
329.08990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03442	2.5
59.01395	1.3
64.13346	0.7
69.03484	1.3
70.66187	1.9
71.01391	1.0
80.34608	0.6
84.65247	0.7
85.02955	8.9
95.05001	0.8
97.02957	0.6
97.06593	4.1
109.01880	0.6
123.44101	0.6
125.09702	1.7
127.11280	2.1
137.09717	3.0
143.93498	0.6
148.77769	0.6
155.10773	1.0
155.14388	1.0
165.12839	1.0
167.14436	0.9
171.10266	20.2
172.10677	0.6
177.12883	1.2
181.12361	0.9
183.13902	4.6
185.11880	0.8
185.29541	0.6
193.12306	1.6
197.11862	0.8
201.11267	1.2
209.11839	1.3
211.13399	20.7
212.13690	1.5
221.11874	3.0
229.14423	12.6
239.12898	1.8
261.31421	0.6
291.19687	2.5
327.21759	100.0
328.22052	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	329.0667
Annotation	Malvidin
Peak:m/z	Relative Intensity
59.01380	5.5
60.15398	0.6
61.98799	0.8
65.00342	0.6
67.93848	0.6
69.24591	4.0
69.25015	1.5
98.20660	1.2
98.56700	0.6
144.28418	0.7
149.02484	0.8
151.00362	2.0
161.02437	14.2
162.02678	1.1
180.74294	0.6
183.04465	1.9
185.02477	3.5
199.04024	2.8
203.03520	8.0
211.13446	0.6
215.03465	2.5
222.38148	0.6
227.03493	14.6
228.03735	1.1
229.01405	1.6
243.02956	5.8
255.03088	0.7
271.02475	45.4
272.02689	3.8
285.04004	1.7
299.01956	81.6
300.02280	7.2
313.03513	5.3
314.04321	56.5
314.07217	0.7
315.04639	4.5
329.06647	100.0
329.23285	1.7
330.06989	10.9
347.23685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.4
61.78984	0.5
61.98816	1.4
68.99825	0.7
69.63677	1.1
69.64089	1.3
71.01381	10.3
72.99306	0.6
73.02949	3.3
74.39804	0.5
81.03477	0.5
83.01405	0.9
85.02948	4.2
86.00055	0.4
87.00873	1.9
89.02453	1.7
93.03438	0.7
94.74870	0.4
95.01405	0.9
97.02954	0.5
99.00900	1.1
99.04515	0.7
101.02442	6.6
108.02207	2.0
109.02962	2.5
113.02466	4.2
120.45001	0.4
121.02988	2.1
121.06635	0.5
122.03742	100.0
122.06093	2.9
123.04599	13.7
124.04871	0.5
125.02464	1.0
125.27541	0.4
134.03697	0.4
135.04532	1.6
136.07646	1.4
137.02455	1.3
137.06081	2.0
143.03476	0.8
147.04535	1.6
149.04544	1.1
150.05603	6.7
152.07135	0.6
153.01921	0.6
155.07141	1.8
157.40146	0.4
159.02985	1.5
161.04559	11.5
165.05577	5.2
167.03523	2.7
169.01274	0.6
175.06351	0.6
176.07109	0.6
177.05533	2.1
194.08292	0.5
213.34187	0.4
230.98483	0.5
252.19659	0.4
280.24500	0.5
285.09863	2.2
312.10864	3.6
318.29147	0.4
329.08786	7.6
329.12454	0.7
330.05444	0.5
330.08560	0.6
330.12225	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	327.2176
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03445	0.7
58.00597	1.3
59.01374	5.5
59.66115	0.5
61.98817	0.8
69.03441	0.7
70.37918	1.0
70.38309	1.2
71.01371	0.7
72.99281	0.8
97.06587	1.7
111.04517	0.6
111.08167	7.2
121.02976	1.4
127.07656	0.9
153.12849	1.4
169.12354	5.8
171.10278	1.7
181.12242	1.7
183.13864	1.1
185.11807	0.9
197.11827	42.7
198.12144	2.6
199.13399	7.7
209.11845	1.1
211.13374	5.9
221.11871	0.8
227.12909	1.4
229.14413	1.5
239.16411	0.9
263.20102	0.8
291.19617	2.2
305.59921	0.6
309.20651	2.7
327.21750	100.0
328.22116	13.1
332.02100	0.6
336.37891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.92763	0.5
56.70894	0.6
58.00586	1.6
59.01379	4.4
61.98825	0.7
68.01275	0.7
70.53453	1.3
78.97801	0.6
80.72639	0.6
81.98465	0.6
94.42955	0.6
97.06586	2.7
104.93832	0.6
109.06578	0.7
111.08157	9.6
124.19960	0.6
127.07692	1.1
127.08545	0.6
129.60173	0.5
138.28188	0.7
153.12817	1.5
154.20921	0.5
169.12318	6.4
171.10266	2.2
179.10689	0.7
181.12309	1.8
197.11829	45.7
198.12157	3.7
199.13397	8.9
211.13368	4.8
227.12996	1.3
244.24652	0.6
263.20306	0.9
291.19620	2.3
309.20776	3.1
327.08914	2.7
327.21750	100.0
328.22144	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	326.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92620	0.4
55.10061	0.5
59.01382	9.2
61.98832	13.7
69.69066	1.8
71.01374	1.3
73.02943	0.6
75.00877	1.9
85.02947	0.6
87.00897	0.7
89.02452	0.7
93.03456	0.9
99.71102	0.5
101.02438	1.1
102.02766	0.5
107.03642	1.9
113.02368	0.6
119.05028	5.7
120.05359	4.9
121.02945	1.4
125.02421	0.7
134.04727	100.0
135.05205	2.4
137.02444	0.6
146.02492	2.4
149.02443	4.2
150.03223	3.2
161.04597	0.5
163.04025	4.1
164.04405	3.8
165.01860	1.2
165.05559	5.8
175.02518	0.9
266.08920	3.2
266.98276	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	34.7
59.70139	3.5
69.03454	41.7
71.01386	23.1
71.51395	7.4
72.99306	5.7
73.02966	4.9
75.00878	15.1
84.47404	4.0
85.02942	24.6
87.00875	16.4
89.02454	13.6
90.28318	4.1
93.03495	6.3
93.58435	4.7
99.00819	6.0
101.02443	12.0
111.00882	17.1
112.01653	49.2
113.02452	45.5
117.01940	4.2
119.05006	6.5
121.02979	4.8
123.04539	6.1
125.02446	55.6
129.01927	5.1
133.05017	7.9
135.03009	38.7
147.02974	23.8
149.02444	5.4
149.04408	4.6
157.01416	76.3
161.04590	4.7
165.01938	11.7
165.05548	9.2
165.07698	5.9
169.01425	100.0
184.40027	4.1
267.10782	24.0
269.26089	4.1
327.08701	7.2
327.12851	7.4
336.17935	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	325.0927
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
69.39978	0.4
69.61456	2.1
93.03452	0.7
97.03014	0.5
98.19899	0.7
109.02941	1.3
117.03440	0.5
119.05028	100.0
120.05363	4.0
123.04533	1.0
125.02412	1.1
137.02406	0.5
145.02922	0.8
151.04033	0.6
163.04008	79.6
164.04321	4.6
194.73827	0.4
203.07103	0.7
205.04974	0.4
245.08102	1.0
289.07166	4.5
290.07553	0.6
325.09113	0.8
348.47617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97226	0.3
61.39220	0.3
65.91916	0.3
67.27717	0.3
69.80139	1.6
79.95750	1.3
85.80956	0.3
98.19968	0.6
103.23147	0.2
119.04992	0.9
128.85390	0.3
170.00430	1.0
183.01198	47.1
184.01875	3.8
189.36746	0.3
197.02756	2.6
198.03485	0.5
216.00993	0.8
225.05913	0.4
230.02626	0.5
239.07478	0.9
246.90164	0.3
260.76324	0.3
261.22458	0.3
325.18405	100.0
326.18713	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	325.2019
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03439	2.7
59.01373	8.5
69.03403	1.3
71.01368	6.7
71.05032	1.6
71.12142	1.1
73.02939	1.8
76.70477	1.2
81.03446	1.8
83.05013	6.3
84.02174	2.8
84.50636	1.2
85.02952	1.6
92.08615	1.2
95.01485	1.4
95.05044	2.4
97.06600	2.2
99.04513	1.9
99.08163	3.8
107.04993	1.4
109.06645	2.2
111.08181	1.4
115.07636	2.7
124.66222	1.4
125.06080	1.5
125.09745	6.8
127.07671	17.7
127.11261	1.7
135.08141	2.8
139.07652	3.5
141.09189	1.5
153.09186	11.1
155.10739	3.2
163.11230	3.1
165.12839	2.1
171.10289	18.3
178.10014	2.6
185.11830	21.8
191.10696	1.4
191.14468	2.5
197.11823	18.3
207.10321	2.3
209.11813	73.8
210.12122	4.9
211.13406	2.4
211.16982	1.3
237.14957	2.1
238.12090	6.0
245.19090	3.2
256.13110	2.6
279.19769	1.6
289.18146	11.0
307.19141	100.0
308.19553	11.6
325.20209	47.8
326.20541	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	325.2172
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
53.64210	0.5
59.01395	0.8
60.05156	0.5
65.09599	0.5
69.51295	0.5
70.16856	0.5
70.72969	0.5
78.39964	0.5
79.95763	1.6
99.65644	0.6
104.04865	0.5
119.05026	1.1
130.98134	0.5
133.06572	0.6
149.09718	84.4
150.10056	6.1
163.11288	100.0
164.11620	5.7
170.00394	0.7
183.01202	47.5
184.01984	6.0
197.02834	2.6
210.61148	0.5
216.00952	3.0
239.07448	1.2
241.06354	0.6
325.18387	98.1
325.21811	87.9
326.18683	10.1
326.22171	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
54.69318	1.1
55.69385	0.9
59.01385	5.2
61.98834	2.4
70.24567	2.4
70.24924	1.8
123.04531	1.3
134.22888	0.9
135.04478	1.1
137.06111	1.7
142.99110	1.1
150.06686	1.0
165.09180	2.0
165.12817	1.3
166.09872	1.1
189.12837	1.0
234.07561	1.0
235.15230	27.7
236.15648	1.8
261.22226	4.5
279.23322	1.2
305.21219	100.0
306.21506	10.7
307.50836	1.0
323.16852	7.9
323.22266	26.2
324.22507	2.2
334.76190	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01382	5.1
71.01382	9.8
71.51132	1.1
71.51502	1.3
72.99302	1.3
73.02957	1.9
85.02934	1.0
87.00885	8.5
87.04526	1.4
89.02446	3.0
93.03468	2.1
99.00906	0.9
101.02466	0.8
112.98815	1.3
117.01948	2.9
119.03584	1.2
119.05034	18.0
125.02437	5.6
133.01563	1.7
133.05070	100.0
134.05415	3.4
142.99884	1.1
163.04002	8.8
169.01422	10.8
203.32817	0.9
228.89899	0.8
325.05560	2.8
325.14063	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	325.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53097	0.3
59.01367	1.5
60.95752	0.3
66.41637	0.4
70.83168	0.8
72.99309	13.1
78.75661	0.3
79.05537	3.5
81.03444	1.9
83.01380	0.7
93.03458	0.3
99.08138	0.5
101.06082	0.5
107.05018	1.5
119.05023	0.7
123.04524	42.5
124.04861	1.5
133.35258	0.3
135.04527	39.5
136.04861	1.4
139.11290	4.3
139.14198	0.4
140.11702	0.4
149.02393	0.7
150.03223	0.5
152.40776	0.5
161.02478	0.3
161.09686	0.4
162.03285	0.6
163.04080	0.5
163.11278	12.1
164.11641	1.0
175.11272	4.5
177.09253	0.5
189.05650	0.4
191.10704	1.9
207.10251	100.0
208.10603	6.4
219.10252	43.6
220.10663	3.1
263.09229	26.4
264.09479	2.1
281.10333	5.5
307.08383	0.5
315.80057	0.4
325.09277	15.3
326.09760	1.8
327.73672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
55.43890	0.9
59.01379	9.2
69.03456	7.8
70.90154	1.5
70.90485	1.3
71.01385	3.9
71.05018	8.3
72.99308	10.6
87.00898	1.2
89.02418	1.6
97.02948	50.9
99.00888	11.3
113.02435	1.3
115.04015	100.0
116.04359	3.2
117.01944	3.0
119.05033	22.1
127.80738	0.9
138.89796	1.0
141.01947	31.1
142.02309	1.0
157.33342	0.8
159.02991	40.5
160.03320	1.3
163.04007	20.1
177.04037	67.0
178.04411	2.1
246.76488	0.9
279.06906	1.1
323.13654	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68204	0.8
57.03438	2.2
58.00586	2.5
59.01382	81.2
60.01705	0.9
60.65760	0.8
70.41867	2.9
71.01383	41.8
72.99313	2.4
73.02945	2.0
81.15727	0.8
83.01405	2.1
85.02956	8.8
87.00867	2.9
89.02448	47.8
95.01427	2.2
101.02446	28.1
101.03119	1.9
113.02454	19.0
117.01942	1.3
119.03505	19.7
120.03813	1.3
125.02378	0.9
131.03477	2.6
143.03491	3.2
149.04564	6.1
155.52684	0.8
161.04581	1.7
179.05673	2.2
207.20140	0.9
216.72746	0.8
242.31548	0.8
278.54919	0.9
314.34940	0.9
323.13458	100.0
324.13882	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	2.8
59.01381	86.1
61.89007	0.9
70.82597	2.8
71.01380	42.9
71.19778	0.9
72.99310	2.0
79.65367	1.1
83.01406	1.4
85.02955	8.5
85.49475	0.9
87.00898	2.3
89.02446	46.1
95.01369	3.6
101.02444	30.3
112.61831	0.9
113.02452	18.8
114.02828	1.2
118.96851	1.1
119.03503	24.1
131.03528	1.8
143.03539	1.5
159.03003	1.1
161.04523	2.4
179.05684	1.7
279.51367	1.0
312.69638	0.9
323.13470	100.0
324.13779	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	323.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56224	0.8
57.03434	0.9
57.79136	0.9
58.18074	0.8
59.01381	40.4
69.03448	1.7
69.33382	3.8
69.33805	3.9
71.01382	21.9
72.99308	1.4
73.02943	1.5
78.95904	2.4
83.87335	1.0
85.02943	6.3
87.00867	4.1
87.04514	47.0
89.02442	21.9
95.01365	2.7
96.96954	1.3
101.02444	13.7
113.01739	1.3
113.02457	14.2
119.03507	9.9
131.03500	100.0
131.85384	1.0
132.03847	3.1
143.03462	1.1
149.04539	16.3
179.05618	1.4
274.46725	1.1
323.09964	2.2
323.13443	46.3
324.13803	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	323.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19664	1.5
59.01382	8.8
69.03463	4.4
70.82333	3.7
71.01377	14.4
72.99327	1.7
83.01373	4.7
85.02984	2.1
91.05510	1.5
93.03456	30.4
97.02983	5.3
99.00880	35.6
108.02200	3.6
109.63239	1.9
111.00883	4.1
115.04019	7.5
117.03460	20.9
119.05034	23.5
121.02946	2.0
130.04256	5.7
131.05057	12.9
132.05814	9.8
133.02966	15.4
133.06595	16.0
134.45302	1.5
135.04518	1.7
137.02454	4.3
141.01935	3.6
143.05048	12.0
145.02977	11.9
145.06593	26.7
147.04521	100.0
148.04929	5.2
149.06114	13.7
156.05786	3.0
157.06558	10.4
158.03758	3.2
159.02966	6.8
159.04483	7.6
160.05299	12.8
161.06068	14.5
163.04007	4.8
163.07657	9.3
165.05609	3.2
169.06583	23.7
170.07147	2.3
171.04510	6.0
171.08195	1.8
172.05283	3.9
173.06064	29.0
173.09738	1.7
175.04008	26.8
175.07623	9.6
176.08005	1.6
177.04021	7.2
177.05574	17.0
187.04034	4.9
187.07648	70.4
188.07974	5.2
189.05563	56.3
190.05957	2.9
191.07124	21.5
192.07544	2.1
193.05046	3.4
201.05573	35.8
202.05966	2.4
203.03459	10.8
205.05072	33.6
206.05472	2.5
217.05185	4.4
217.08624	2.7
219.06595	39.3
220.06850	1.9
221.04556	44.5
222.04916	3.7
231.06645	3.8
235.06050	5.3
243.06630	3.7
245.04416	2.6
261.07654	11.7
263.05600	55.4
264.06003	5.3
279.08682	8.1
323.07666	29.6
324.07910	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	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01725	0.8
64.13262	0.3
69.20459	3.0
70.25353	0.3
71.01380	2.4
71.17654	0.3
72.05703	0.3
85.02976	0.4
85.64420	0.3
89.02449	3.9
95.01430	0.3
98.20667	0.7
101.02472	1.3
113.02472	1.2
119.03504	1.4
121.16803	0.3
122.85130	0.3
125.02544	0.3
142.54150	0.3
147.04523	0.7
175.02544	0.3
179.05652	0.8
209.43730	0.3
215.54303	0.3
247.17279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2023
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
50.10301	0.1
53.72411	0.1
58.02970	1.6
59.01385	0.4
62.46333	0.1
71.52681	0.2
73.37896	0.2
76.52775	0.2
78.00453	0.1
81.03452	0.5
94.99762	0.1
95.05034	0.7
97.06606	0.5
102.29795	0.1
109.06613	0.4
114.16857	0.1
128.10817	7.1
129.11121	0.3
130.08739	100.0
131.09088	2.9
165.12814	0.9
166.15344	0.2
172.09781	0.5
177.21953	0.2
235.15332	0.8
322.20218	37.3
323.20547	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	321.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46257	0.4
57.03437	1.4
58.99614	0.6
59.01379	6.2
61.02205	0.4
67.01892	4.1
69.03449	1.1
71.01370	3.7
71.53461	0.6
78.95901	1.6
81.03451	0.7
83.01384	0.5
83.05027	1.0
85.02931	1.6
87.00895	0.9
93.03459	24.0
101.02466	0.8
102.09799	0.4
103.05540	1.1
109.02954	1.3
111.00877	0.8
111.04527	5.2
119.05048	0.6
125.06085	0.6
127.03993	1.0
137.02437	4.9
147.04524	16.3
148.04860	0.9
155.03510	3.8
163.03976	0.6
173.04543	100.0
174.04869	4.4
228.64030	0.5
295.97913	0.5
321.09824	3.2
321.13562	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	321.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05111	0.3
57.52860	0.4
59.01385	2.2
59.89211	0.4
69.26949	2.9
76.28469	0.4
83.05044	1.3
83.66554	0.4
87.00892	0.6
93.03444	2.2
97.02963	0.5
103.05530	4.3
107.25959	0.4
111.04516	2.1
114.11778	0.4
119.05038	1.4
126.44273	0.4
127.03976	0.4
130.15929	0.4
136.04112	0.6
147.04520	100.0
148.04857	5.1
155.03491	2.5
173.04564	3.8
180.03021	0.7
321.09970	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	321.0979
Annotation	4-O-Cinnamoylquinic acid
Peak:m/z	Relative Intensity
57.03427	1.2
58.97671	0.5
59.01379	7.1
59.10429	0.5
60.51001	0.4
60.99299	1.3
63.42317	0.4
67.01879	5.1
69.03443	1.2
71.01369	3.7
71.08114	1.2
83.05025	0.6
85.02943	0.9
93.03458	27.1
94.03812	0.7
103.05541	1.4
109.02917	0.8
111.00864	0.9
111.04523	4.3
113.02426	0.8
113.81635	0.6
127.03956	0.5
136.80045	0.5
137.02441	4.9
147.04512	20.1
148.04892	1.2
149.86539	0.6
155.03482	4.4
173.04538	100.0
174.04889	4.4
242.51086	0.6
321.09714	4.9
342.78757	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2278
Annotation	(-)-16alpha,17-Dihydroxy-atisan-3-one
Peak:m/z	Relative Intensity
50.54367	0.2
57.03431	0.7
58.00595	1.7
59.01375	0.7
60.08997	0.2
61.98827	0.3
71.05022	0.7
73.02947	2.3
81.07084	0.8
83.05021	3.7
84.62216	0.2
85.02933	0.4
85.06579	0.5
87.04515	1.3
95.05024	0.4
97.06574	0.4
105.07102	0.5
106.04241	0.3
107.05038	0.3
109.06570	0.6
119.08667	1.1
121.06606	3.6
122.06893	0.2
123.08161	6.4
124.08494	0.3
133.06598	0.3
134.07381	0.8
135.08174	1.1
135.11803	0.2
136.05290	0.4
139.07635	2.0
146.00960	0.2
147.11862	0.3
151.07613	1.0
153.09212	0.4
164.08424	0.7
173.09668	1.4
173.13271	0.5
175.11266	0.9
175.14922	2.8
176.15234	0.2
189.12842	0.4
199.11269	0.4
207.96803	0.2
215.14374	0.6
220.40010	0.2
227.18051	0.5
237.16489	0.4
251.17867	0.4
253.15860	0.3
253.19563	1.6
255.17580	0.9
257.19022	0.3
263.18076	0.5
269.19070	11.0
270.19534	1.2
271.17569	0.3
271.20633	5.4
272.20999	0.6
281.19147	2.4
282.19379	0.5
285.18695	0.6
287.20154	2.5
288.20251	0.3
289.21719	13.0
290.22052	1.6
299.20160	2.7
300.20370	0.5
301.21844	0.4
319.22754	100.0
320.23083	12.5
333.20715	1.9
334.21188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0978
Annotation	4-O-Cinnamoyl quinic acid
Peak:m/z	Relative Intensity
58.19383	0.3
59.01380	5.0
68.94263	0.4
69.03470	0.4
71.01360	0.4
83.05016	0.7
89.31695	0.4
93.03473	2.0
103.05539	5.6
111.04521	2.0
119.05019	1.6
119.05881	0.4
129.01912	0.4
137.02513	0.3
147.04521	100.0
148.04857	4.5
151.34349	0.4
153.26192	0.4
155.03511	2.5
173.04570	4.1
182.61969	0.4
188.07947	0.4
200.41490	0.4
321.09674	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	319.1395
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
57.03433	3.6
58.00585	2.4
59.01382	100.0
69.03444	3.9
71.01385	68.6
71.05029	4.8
71.52345	2.0
72.99299	3.6
73.02950	2.2
85.02946	16.1
87.00884	3.6
89.02448	80.6
93.03452	3.9
95.01403	3.3
101.02452	28.9
101.06043	2.1
113.02460	24.6
114.02869	1.9
119.03512	28.6
119.05003	8.4
129.01938	3.4
131.03481	2.4
137.02464	2.3
139.07652	37.2
143.03470	2.6
155.03503	3.7
161.04575	5.1
163.04012	10.1
176.58904	2.3
178.86610	2.1
179.05588	11.0
203.08284	2.6
239.13362	1.9
275.00137	2.5
275.12833	7.2
314.84763	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	319.2276
Annotation	(-)-16alpha,17-Dihydroxy-atisan-3-one
Peak:m/z	Relative Intensity
54.01161	0.2
57.03451	0.5
58.00595	1.1
58.38631	0.2
59.01373	0.9
60.22312	0.2
61.98812	0.3
69.70615	0.9
71.01379	0.3
71.05013	0.4
71.69858	0.2
73.02944	2.3
81.07095	0.6
83.05033	4.0
85.02940	0.4
85.06603	0.5
87.04509	1.5
95.05034	0.8
105.07120	0.4
107.05039	0.5
109.06602	0.5
111.08157	0.3
119.08653	0.6
121.06593	3.4
123.08165	6.2
124.08538	0.3
133.06572	0.4
133.10207	0.3
134.07408	1.1
135.08171	1.9
135.11798	0.3
136.05249	0.2
139.07664	2.3
142.24364	0.2
145.02962	0.5
147.11797	0.4
149.06093	0.3
151.07669	1.0
153.09216	0.4
164.08406	0.7
166.06360	0.3
173.09720	1.3
173.13441	0.3
175.11272	0.6
175.14906	3.6
176.15494	0.3
178.27991	0.2
189.12827	0.7
215.14365	0.6
227.18050	0.7
237.16501	0.6
253.15964	0.5
253.19528	1.8
255.17569	0.8
263.17871	0.3
269.19107	11.2
270.19455	1.0
271.20670	5.1
272.20926	0.5
281.19119	2.7
285.18500	0.6
287.20139	2.3
288.20380	0.4
289.21719	12.3
290.22073	1.5
290.27283	0.2
299.20132	2.3
301.21753	0.4
303.19824	0.3
303.44189	0.2
315.19769	0.3
317.21045	0.3
319.22766	100.0
320.23108	11.8
333.20694	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	319.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	3.4
67.69818	1.7
68.99570	9.3
69.03489	1.4
69.94996	2.8
69.95380	3.9
71.01376	5.0
71.92480	1.6
73.02944	4.0
87.00883	5.6
89.02444	24.6
112.98575	12.5
125.02451	38.3
131.03508	5.2
133.01466	1.8
142.96667	2.5
147.03018	2.4
149.04558	100.0
150.04913	2.8
169.00012	3.1
169.01431	60.6
198.95605	3.0
216.96552	4.2
258.97690	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	319.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45927	1.4
54.37005	1.5
59.01393	7.5
69.03436	2.9
69.71744	5.4
71.01382	7.4
73.02940	3.8
87.00853	4.2
89.02446	28.6
98.20630	3.1
107.40482	1.5
125.02450	45.6
131.03513	6.0
137.03564	1.5
142.96654	1.7
149.04552	100.0
150.04886	3.6
169.01418	68.4
186.99176	4.2
216.96657	2.0
243.01874	2.5
258.97827	1.7
301.02786	2.6
319.03436	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	319.0459
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
57.03432	5.5
59.01370	14.5
59.71885	1.8
60.32348	1.8
64.91365	1.8
68.99837	2.4
69.18013	6.1
69.18434	15.3
71.01376	2.2
75.21922	2.1
81.03464	2.6
83.01385	5.6
89.02412	2.5
93.03484	3.2
95.01434	3.1
99.00887	6.6
100.70178	2.0
109.02959	8.9
111.00895	6.6
115.05545	5.2
119.05114	3.3
121.02975	4.6
123.00897	13.2
125.02443	31.3
127.00422	2.9
133.02933	3.5
133.06616	2.6
137.02454	21.3
138.03233	6.7
139.00354	5.8
139.03827	2.2
141.01932	17.8
143.05031	10.2
145.02950	6.4
145.06570	4.0
147.04547	4.8
149.02444	7.1
151.00343	4.3
153.01944	19.1
155.05028	3.2
157.01315	2.6
157.06598	4.6
159.04536	14.0
161.02493	4.0
161.06055	7.5
165.01904	8.9
166.02740	4.5
167.03471	6.1
167.04970	5.9
169.02913	2.6
169.06644	3.4
169.76927	2.1
171.04489	7.4
173.02444	6.7
173.06062	3.7
175.04015	4.6
177.01935	23.0
177.05399	3.1
178.02567	2.1
179.03447	3.1
181.01384	3.3
183.04535	17.8
185.02452	2.5
185.06065	4.1
187.04019	18.2
189.01917	3.8
189.05559	5.9
190.02785	3.3
191.03474	24.3
193.01381	13.3
197.02434	5.3
199.03983	5.2
201.01976	3.2
201.05595	6.0
203.03525	4.8
203.07088	3.0
205.05013	5.9
211.03963	22.8
213.01830	4.1
213.05595	5.8
214.02739	9.7
215.03494	54.0
216.03853	5.1
217.01430	14.7
219.03047	4.7
219.06654	4.9
227.03517	5.5
229.01497	4.9
229.05023	17.1
231.03038	5.9
231.06685	3.3
233.04535	36.1
234.04878	3.8
239.03470	7.6
247.06084	7.4
251.05554	4.1
255.02991	3.8
257.04507	29.0
273.04144	3.2
275.05563	9.6
283.02454	2.9
301.03522	100.0
302.03836	7.8
319.04556	38.0
320.04984	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	319.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	11.9
58.97571	0.4
59.01379	1.3
63.02389	1.8
65.00320	2.7
71.01393	0.8
79.34322	0.5
79.39763	0.4
79.88232	0.5
81.03456	1.2
83.01384	5.8
85.02947	0.9
87.73753	0.5
89.02437	1.1
93.03433	0.9
101.02444	0.5
107.01371	2.7
109.02947	5.1
116.76997	0.5
119.01437	0.6
121.02937	3.0
123.00883	2.1
123.04523	0.5
124.01660	2.3
125.02447	54.4
125.93159	0.5
126.02772	1.6
135.04536	0.6
137.02438	7.4
139.04048	3.8
145.02953	0.8
147.00880	5.2
149.02452	0.7
151.00372	12.3
151.04045	0.6
152.01111	1.8
153.01935	7.8
153.63348	0.5
155.03519	1.2
159.04483	1.7
161.02394	1.1
163.00269	0.6
163.04024	0.9
164.01108	0.8
165.01932	10.1
166.02716	1.3
167.03519	7.1
175.00368	23.7
176.00955	2.0
178.99852	11.6
180.00099	0.6
181.01437	1.2
185.02451	1.3
185.06053	0.6
187.04007	1.4
190.02750	0.8
191.03522	14.3
192.03864	0.8
193.01422	100.0
194.01779	5.0
197.02428	0.6
201.05688	1.1
205.05025	1.5
209.04611	0.5
213.05505	0.9
215.03516	8.2
216.03818	1.1
227.03412	0.6
229.01447	0.5
229.05118	1.1
233.04562	2.5
239.03444	1.3
257.04556	7.8
275.05603	0.5
283.02441	1.0
291.05206	0.8
301.03558	9.6
302.03793	1.0
319.04623	1.1
319.13892	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.212
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
59.01358	1.5
61.98824	0.6
70.52023	1.4
75.61828	0.5
93.47418	0.5
108.17705	0.5
113.99594	0.6
116.92828	0.9
117.44519	0.4
118.25185	0.4
157.65813	0.5
221.11792	2.4
236.14027	0.6
250.73875	0.5
255.07126	0.5
268.13113	1.0
317.21191	100.0
318.21527	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	317.2121
Annotation	Agallochin F
Peak:m/z	Relative Intensity
51.49465	1.2
57.03450	10.1
59.01365	4.0
61.29087	1.4
61.98828	1.6
65.33621	1.3
69.03452	3.1
71.01374	1.8
71.52197	1.8
75.09836	1.5
81.03461	1.5
81.07085	6.3
83.05023	20.5
95.05027	26.5
97.02983	2.7
97.06573	2.9
107.05036	6.6
109.06580	5.3
111.04536	2.1
113.06074	6.0
116.92923	2.0
119.08680	1.3
121.06612	7.3
123.08156	6.1
133.06601	8.5
135.04530	3.4
135.08150	23.9
142.28397	1.5
147.08165	2.8
148.05293	3.2
149.09723	3.1
151.07645	34.6
153.09215	59.2
154.09544	2.3
163.07648	30.3
163.11293	33.9
165.09171	1.6
169.10208	2.4
171.08142	2.9
171.11682	1.5
178.61705	1.3
181.08707	22.6
183.11758	2.2
185.09642	3.3
185.13351	2.7
186.13754	2.1
187.11310	3.3
200.11995	1.7
201.12863	4.1
203.14565	1.6
219.11711	3.1
225.12886	2.3
237.12924	1.7
237.16470	5.8
239.17955	8.5
249.16687	1.5
251.14409	3.8
251.17989	2.4
253.15953	27.8
254.16273	3.5
255.17484	4.2
263.17941	3.1
265.15912	3.8
267.17520	24.1
268.17831	2.1
269.19101	26.9
271.17007	1.6
274.18256	1.6
281.19092	30.9
282.19366	2.5
283.17032	12.4
287.20245	1.6
299.20142	50.2
300.20560	5.7
317.21179	100.0
318.21347	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	318.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15436	2.2
59.01374	11.5
61.95486	2.4
61.98830	100.0
71.01376	2.4
72.28332	2.4
101.02420	4.4
113.02428	2.7
119.05045	3.7
133.62958	2.9
155.66327	2.6
190.19814	2.6
203.37007	2.6
246.97838	2.1
319.12274	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	317.1757
Annotation	6beta-Isobutyryloxysenberginone
Peak:m/z	Relative Intensity
61.86250	0.4
70.81883	0.8
93.11266	0.4
106.04245	0.6
121.02973	1.3
132.02150	0.5
133.02965	17.5
134.03757	12.3
135.04536	25.4
136.04874	1.0
137.02451	7.7
139.03978	2.0
150.03241	1.4
161.02449	31.6
162.02707	1.0
178.02750	1.8
179.03505	10.9
216.52444	0.4
233.08168	0.5
293.54535	0.4
317.17569	100.0
318.17908	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2121
Annotation	12S-HEPE
Peak:m/z	Relative Intensity
59.01373	2.7
67.07848	0.7
68.46630	0.6
69.30527	2.6
69.30951	3.5
71.01366	1.1
73.02951	3.6
83.05008	0.8
107.05006	2.1
109.06606	4.6
111.08158	1.9
113.99596	4.2
116.92819	0.7
121.06602	9.0
122.06942	0.9
123.08161	3.7
133.06609	3.2
135.08138	2.0
135.11790	1.8
136.05267	1.3
137.06094	1.0
139.07651	27.2
140.07953	1.0
151.07646	18.9
152.07910	1.0
153.08064	1.2
153.09219	13.6
154.09544	0.9
163.77539	0.7
193.87784	0.7
229.16003	1.8
269.19052	2.5
271.17178	0.9
271.19958	1.0
281.19061	3.2
287.20154	100.0
288.20493	10.9
289.18094	1.1
299.20178	2.5
317.17410	2.5
317.20959	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	317.2122
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
57.03453	0.5
59.01362	1.0
62.05112	0.4
69.03455	8.6
70.11192	1.7
87.00883	0.5
123.08146	1.6
125.09721	1.7
135.11787	1.5
157.10197	0.7
185.29190	0.4
201.16425	0.9
203.10764	0.7
203.18053	1.6
221.11798	3.7
236.14171	0.6
268.13107	1.6
271.20673	1.2
317.21204	100.0
318.21533	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	316.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99837	0.4
67.51356	0.2
70.89660	0.2
70.89995	0.3
90.32689	0.2
95.01384	0.3
123.00872	2.1
124.00778	0.4
124.01663	6.2
124.59601	0.2
153.00659	2.3
154.01459	100.0
155.01817	2.8
168.94971	0.2
179.85448	0.2
191.05750	0.3
196.99930	0.2
314.13531	0.3
316.06708	19.1
317.06964	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	317.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
59.01377	1.3
70.67233	1.0
70.67610	1.0
71.01365	1.2
83.01418	0.6
85.02951	1.7
90.03473	0.6
94.06598	0.5
96.08169	0.6
97.03014	0.6
101.02410	0.7
104.05063	1.3
115.03970	0.7
118.03032	1.2
118.13644	0.5
119.05017	1.1
120.04528	0.5
122.06120	5.5
124.07682	4.2
125.02418	0.7
131.03809	0.7
136.04042	0.5
136.07687	11.9
137.08125	0.5
141.09248	1.2
145.02998	0.6
149.04874	0.7
150.05588	2.1
151.00430	0.7
161.04663	0.6
164.03563	1.4
181.03787	0.6
185.07207	1.7
196.07687	1.8
197.07091	0.8
198.04364	1.1
200.10782	1.1
211.08614	0.6
212.10910	0.6
215.08118	0.5
225.06656	2.8
226.07463	1.4
227.08235	8.8
227.11748	1.0
228.08511	1.0
230.11784	0.8
237.10266	1.1
238.08784	0.6
239.08275	3.8
240.09048	6.0
241.09285	0.8
243.11296	4.6
244.08533	0.5
255.11392	27.8
256.11722	2.2
258.10123	1.0
273.12433	100.0
274.12744	7.1
299.27451	0.5
317.02942	1.0
317.07141	0.7
317.11359	11.1
317.19598	1.0
318.11581	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02695	0.4
57.03443	0.8
59.01375	0.7
61.98816	0.5
83.04999	1.9
84.46058	0.4
85.06589	0.6
95.05013	0.9
96.00735	0.3
98.19867	0.8
100.64809	0.4
107.05025	0.7
110.58257	0.3
119.08660	0.6
121.06578	0.5
123.08163	17.3
124.08508	0.5
133.06566	0.5
134.07355	1.2
134.89439	0.5
135.08168	3.6
140.85286	0.3
141.12857	0.5
168.62622	0.4
173.09697	2.3
175.11354	0.5
175.14902	1.6
182.48944	0.4
193.34837	0.4
217.07230	0.8
219.10323	1.9
220.10590	0.4
230.22821	0.4
241.12486	0.3
255.17558	0.4
267.05072	0.4
269.19110	9.2
270.19339	1.4
271.20569	2.8
278.11435	0.4
283.17062	0.4
297.24457	0.5
300.02585	0.8
313.23843	0.5
315.19632	100.0
315.24908	6.7
316.19971	12.3
316.25659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1966
Annotation	Cespitularin F
Peak:m/z	Relative Intensity
54.33678	0.9
57.03439	2.7
58.00591	1.3
59.01373	2.6
61.98820	1.0
69.03425	1.5
71.01383	100.0
72.01708	1.5
72.99300	1.2
73.02940	2.5
81.03445	1.6
83.05025	36.9
84.02179	2.2
84.05335	1.2
85.02953	3.8
93.03455	3.5
93.07116	1.6
95.05032	2.7
97.06585	3.8
104.07301	0.9
107.05032	8.6
109.02962	1.4
109.06599	4.9
111.04520	6.8
113.06100	1.0
119.05041	2.3
119.08689	2.2
120.05830	1.0
121.06595	13.1
122.07015	1.0
123.08171	9.1
125.09745	1.8
133.06596	16.5
135.04543	8.6
135.08205	4.2
136.05319	1.3
137.06053	3.6
143.08626	1.4
145.10233	1.1
147.08138	3.1
149.06078	1.0
151.07664	13.0
152.08043	1.0
153.09206	5.2
157.06583	1.5
159.08125	1.2
159.11794	9.3
161.09714	3.1
163.11282	8.5
164.11656	0.9
169.10210	1.0
171.08188	1.7
173.09610	1.7
173.13400	0.9
175.07672	2.0
175.11206	1.5
177.12830	2.3
183.08214	0.9
183.11748	2.6
185.09654	2.2
185.13368	3.5
187.11215	3.7
191.10774	2.4
191.14374	1.6
195.11874	1.2
197.09680	1.1
198.10521	1.3
199.11247	2.5
201.12840	9.7
209.13235	1.3
211.11333	1.2
213.12843	5.4
215.10814	2.1
215.14354	1.9
216.11490	2.2
219.10298	1.4
219.13795	6.5
223.11304	1.1
225.16327	4.3
227.10724	1.4
227.14417	1.4
229.18095	1.5
231.13889	11.8
232.14233	1.1
235.14981	1.0
237.12965	1.0
239.18114	1.8
241.12299	3.1
242.12996	1.6
243.17497	3.8
245.13460	1.3
251.14415	1.3
253.15863	2.8
257.19199	1.1
259.13275	6.1
260.13855	1.2
261.13635	1.4
261.16385	8.9
263.14438	4.3
264.15207	1.3
267.17480	2.2
269.19086	5.0
271.16980	4.3
277.15918	2.0
279.17493	20.8
280.17810	2.2
281.15469	2.5
287.20059	2.1
293.15329	1.5
297.18546	19.0
298.19037	2.4
300.02786	2.2
315.04959	1.2
315.19623	42.4
316.20023	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	315.1965
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
57.03440	3.4
59.01380	1.8
59.21473	0.8
69.28209	0.8
70.17458	1.9
70.17827	2.0
71.01384	5.9
72.99308	9.5
80.34666	0.8
83.05024	6.8
86.24241	0.8
92.46931	0.8
95.05018	3.0
99.04525	1.7
107.05028	2.9
109.06592	3.8
119.05024	1.0
121.06609	7.8
122.03735	1.6
123.08163	5.5
133.06616	1.9
135.04518	3.1
135.08194	3.1
136.05269	2.3
137.06055	3.1
139.07652	4.1
142.38716	0.9
148.05287	3.2
149.06116	6.7
149.07204	1.0
151.04034	1.1
151.07648	2.9
157.87204	0.9
161.06067	5.8
162.06850	3.1
163.07640	1.1
164.04742	1.2
173.09708	3.1
175.11278	1.3
199.07631	1.1
199.87506	1.1
201.07414	1.9
201.09216	28.6
202.09546	2.0
215.10783	2.0
216.11497	3.1
219.10260	3.4
242.13075	2.5
243.17432	2.2
255.17612	1.6
257.19128	10.1
267.14081	1.1
269.19092	20.7
269.84692	1.1
270.19550	2.2
271.17026	8.2
272.17834	1.3
279.17529	1.9
282.16211	3.2
283.16885	1.5
285.18585	19.6
286.18976	3.1
287.20166	19.2
288.20569	1.7
297.18607	100.0
298.18945	11.5
299.16589	10.1
300.17105	5.2
315.19638	52.6
316.20041	6.2
325.40964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1085
Annotation	Taxicatin
Peak:m/z	Relative Intensity
59.01377	0.3
65.03958	0.4
66.01772	0.3
70.69622	0.6
76.82782	0.3
80.32011	0.3
85.02971	0.4
87.00868	0.4
95.05032	0.9
109.02948	7.2
122.03703	0.4
123.04525	68.7
124.04832	2.7
135.00850	0.3
153.02022	4.7
153.05573	100.0
154.05910	4.3
281.29828	0.3
315.03769	0.5
315.07202	2.2
315.10870	3.2
316.10944	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.9
59.01384	1.3
69.03460	13.3
69.84766	1.9
71.01379	0.9
71.05036	3.4
72.77443	0.5
73.02948	2.2
85.09956	0.5
94.49805	0.6
95.05038	0.6
103.04027	0.8
111.08175	3.7
113.06097	1.8
123.08166	1.6
125.02534	0.6
127.93217	0.5
131.03531	3.2
139.07655	0.8
139.11296	17.6
140.11630	1.1
183.10262	100.0
184.10609	5.7
197.01042	0.6
233.76884	0.6
236.83051	0.5
315.08701	1.0
315.14417	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	315.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66776	0.6
57.03450	5.1
59.01380	0.6
69.03458	12.8
69.69512	1.4
69.69920	1.7
71.05016	2.2
78.29188	0.6
87.04537	0.6
101.02443	0.8
111.08128	2.8
113.06079	1.8
123.08156	0.9
131.03465	0.7
139.11302	17.5
183.10257	100.0
184.10608	5.2
242.74886	0.6
257.23279	0.6
268.27396	0.7
315.05157	0.6
315.14404	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	315.1964
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
57.03452	1.4
62.27822	0.3
69.37569	1.9
69.75875	0.3
70.04720	0.3
75.02615	0.2
81.07081	0.4
83.05006	1.8
85.06584	1.5
92.11792	0.3
98.19906	0.5
107.05025	0.9
119.08652	0.5
121.06600	0.6
122.80972	0.3
123.08163	26.6
124.08501	0.9
124.43652	0.2
124.52963	0.3
129.07071	0.3
133.06602	0.4
134.07402	1.9
135.08163	4.5
135.11804	0.8
136.05292	0.4
142.46414	0.3
173.09717	2.0
173.13167	0.3
175.11237	0.3
175.14914	1.8
188.12006	0.4
196.34885	0.3
215.14360	0.3
219.10242	0.4
227.18066	1.1
253.19878	0.3
255.17511	0.8
269.19098	14.3
270.19495	2.1
271.20654	5.9
272.20966	0.6
315.19629	100.0
316.19971	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	315.0724
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
54.27504	0.5
55.71664	0.5
56.71138	0.5
59.01384	3.5
65.03961	7.0
67.01892	2.8
69.03455	0.7
69.15582	5.0
71.01382	3.3
73.02921	0.9
74.00349	0.5
85.02959	2.0
89.02422	0.5
95.01417	0.9
98.20671	1.1
101.02443	1.5
107.01411	0.9
107.50436	0.5
108.02228	0.6
109.02954	100.0
110.03310	3.4
113.02437	1.3
123.00909	1.2
123.04519	3.6
125.02438	1.8
135.00870	4.5
135.04570	2.7
139.04112	0.5
141.01935	0.6
151.00372	1.7
153.01942	64.9
153.05516	3.8
154.02281	2.9
161.04565	1.5
169.01448	2.8
246.43744	0.5
315.07245	34.8
315.59357	0.6
316.07587	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	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.03439	1.1
59.01376	2.7
65.03953	2.8
67.01859	1.4
71.01381	2.6
71.51764	1.5
72.99302	1.1
73.35549	1.1
75.00879	6.6
83.01396	1.9
85.02957	3.9
87.00875	3.6
93.03461	2.5
95.05021	1.6
97.02988	3.0
108.02176	84.8
109.02962	88.4
110.03280	2.1
111.00835	1.7
111.99667	1.3
113.02435	2.0
116.99829	1.3
123.00880	1.7
123.04537	12.0
124.04045	1.3
125.02409	1.3
129.63138	1.0
135.00925	2.5
135.02982	1.6
137.02440	1.4
137.06197	1.2
139.04015	4.5
145.01445	1.6
151.00343	1.3
152.01154	57.0
153.01944	67.4
153.05574	17.3
154.02271	1.9
155.07137	1.8
163.04004	1.4
165.01968	1.8
165.05588	1.9
173.04474	1.4
181.05061	2.4
184.06149	2.9
199.06294	1.8
252.27728	1.1
272.02292	1.2
315.07224	100.0
315.13654	5.3
316.01492	1.5
316.07480	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	315.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
70.71396	0.5
70.71706	0.3
78.86346	0.3
85.54130	0.2
107.01356	0.8
108.02184	1.7
117.02271	0.2
135.00888	1.1
148.01668	2.5
151.00369	0.9
163.00380	0.8
164.01192	1.4
164.60823	0.2
192.00639	0.7
198.03227	0.3
199.03990	1.0
201.01851	0.3
211.03986	0.5
215.03508	0.6
216.04280	0.5
226.02718	1.5
227.03496	2.7
228.03856	0.4
229.01442	0.3
243.02974	12.7
244.03391	1.3
254.02258	2.2
255.02985	26.5
256.03281	1.8
265.19012	0.3
271.02469	58.8
272.02905	5.8
277.43808	0.3
299.02036	1.1
300.02737	100.0
301.03101	8.6
303.84799	0.2
315.05093	54.8
316.05447	5.2
316.08981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
56.19564	0.6
59.01388	1.1
61.98828	2.5
68.49533	0.6
70.56832	1.2
71.01385	2.9
75.00887	1.2
81.03478	0.7
83.01391	1.1
85.02959	2.7
85.28299	0.6
93.03454	0.6
95.01401	1.5
95.05013	0.8
98.20486	0.6
101.02459	1.5
108.02174	100.0
109.02976	31.3
110.03279	0.7
113.02461	1.6
121.02962	0.9
123.04514	2.8
125.02434	0.5
130.66225	0.6
135.04555	1.1
137.06032	0.6
138.99889	0.5
142.85214	0.6
151.04001	1.6
152.01152	64.5
153.01942	34.9
153.05486	3.5
154.02267	1.1
155.07108	0.8
163.04030	1.1
165.01941	2.4
199.06178	0.7
293.26096	0.6
315.07208	84.2
316.07452	6.1
326.37552	0.6
332.09775	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01277	0.4
59.01535	0.4
60.75521	0.4
65.00240	0.6
69.19038	0.7
69.19444	3.1
98.20651	0.9
107.01264	0.8
124.01527	1.0
125.02304	0.8
139.56216	0.3
143.70766	0.3
148.01662	2.2
149.02322	0.4
151.00339	1.9
152.00981	0.9
161.02316	0.6
177.01778	0.4
178.99644	0.4
188.04636	0.5
191.77301	0.3
194.02017	0.4
199.03809	0.6
201.60782	0.4
215.03372	1.0
216.04228	0.7
227.03343	1.2
227.91783	0.3
243.02835	1.4
246.76381	0.4
256.03604	0.6
260.78055	0.4
271.02463	1.9
272.03259	20.9
273.03470	1.5
282.11121	0.4
299.02216	0.5
300.02734	100.0
301.03061	8.7
315.05103	64.9
315.12448	0.5
316.05460	5.5
329.64664	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1292
Annotation	1alpha-Hydroxypseudoanisatin
Peak:m/z	Relative Intensity
53.88540	0.4
56.72602	0.5
57.03445	1.6
59.01374	2.0
66.05244	0.5
71.01387	0.5
71.06508	0.9
72.99307	11.1
74.22540	0.4
75.00873	100.0
76.01237	0.9
82.36793	0.5
83.05026	0.6
85.02955	1.6
109.02956	0.7
119.64328	0.4
122.03799	0.7
125.06133	0.8
128.82172	0.5
136.05261	1.5
137.06076	2.6
149.06067	0.6
151.03961	0.6
161.06010	0.6
161.50391	0.5
163.11275	0.6
165.09183	0.5
168.95171	0.5
172.23936	0.5
179.07198	3.0
207.10243	4.4
219.10179	0.8
237.11356	1.0
286.32651	0.5
289.66519	0.6
313.12915	70.5
314.13226	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	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
50.43135	0.5
55.38494	0.5
58.00588	2.3
59.01374	1.8
71.01389	0.6
97.06577	1.2
98.19927	1.2
99.08160	17.7
99.39156	0.5
111.08138	0.9
111.59943	0.5
117.30290	0.5
121.02950	1.0
127.07700	2.9
128.13551	0.6
129.09222	19.8
129.52362	0.5
183.13892	37.1
184.14240	2.4
195.13860	3.4
251.21957	0.6
277.21750	3.4
295.22729	8.0
313.23840	100.0
314.24191	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	314.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88996	0.6
59.01379	2.6
61.98831	100.0
69.04801	0.6
69.34184	0.6
69.34463	5.6
73.02969	0.7
73.55920	0.6
75.00871	4.3
85.02922	1.3
98.64795	0.7
108.02187	7.4
108.53829	0.6
109.02951	7.0
123.04539	4.2
124.91712	0.6
135.04570	0.9
147.51321	0.6
152.01172	4.3
153.01950	5.5
153.05565	7.8
174.92719	0.7
217.00182	0.8
224.06653	1.0
229.24808	0.6
276.10019	0.7
304.85913	0.7
314.09924	1.3
314.13235	1.3
315.07208	8.1
315.10675	0.9
315.14645	2.0
337.53961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0929
Annotation	Pungenin
Peak:m/z	Relative Intensity
50.34556	0.6
57.03450	1.7
59.01107	1.2
59.01381	10.9
61.04770	0.7
71.01385	8.5
71.97131	0.6
72.99317	4.5
73.02946	1.5
75.00873	56.7
79.25572	0.6
80.95434	0.7
83.01385	1.6
85.02961	7.7
87.00871	2.3
89.02447	1.8
93.03458	38.0
94.03791	1.2
95.01332	0.6
95.05035	1.5
96.46432	0.7
98.20667	1.8
99.00850	0.9
99.02023	0.6
101.02440	3.6
105.03481	0.7
107.05034	6.9
108.02155	1.1
109.02920	1.8
113.02442	2.0
115.63397	0.7
117.03522	0.7
119.05008	1.8
121.02977	3.8
122.03794	0.6
123.04530	7.4
125.78971	0.7
129.01932	2.3
133.02945	2.6
135.04527	4.5
136.05280	0.7
137.02451	1.3
137.06090	0.7
149.02432	11.2
150.03169	1.8
151.04008	48.6
152.04347	2.6
161.04532	1.1
163.03990	1.1
179.07097	2.2
191.01996	1.3
207.10262	2.1
228.96843	0.7
237.11385	0.8
291.67398	0.7
313.09250	100.0
313.12909	29.7
314.09570	7.8
314.13205	2.4
328.46970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1081
Annotation	3'-Deoxysappanone B
Peak:m/z	Relative Intensity
53.00316	0.7
59.01368	0.8
65.00322	14.7
66.01108	2.1
68.58343	0.5
68.99808	0.7
70.51365	1.5
79.99017	0.9
82.00575	0.6
82.87076	0.5
93.03425	0.5
94.00611	1.0
106.00592	1.3
121.02940	1.7
133.02875	0.6
136.01633	1.3
145.02991	0.6
149.02434	20.0
149.99582	61.4
150.99940	2.5
159.23019	0.5
168.00615	0.6
177.01926	61.7
178.02257	3.7
243.61128	0.6
249.14656	0.5
253.09073	0.8
255.06729	2.9
255.08965	0.5
270.08978	0.9
280.07513	0.7
281.08075	1.4
282.05261	0.6
283.06088	1.3
296.95078	0.5
297.07700	2.0
298.08447	80.1
299.08765	7.7
313.10803	100.0
314.11118	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	313.1291
Annotation	Viridoside
Peak:m/z	Relative Intensity
55.11036	0.7
57.03442	1.5
57.16357	0.6
58.00590	0.7
59.01381	6.1
71.01381	5.3
71.51463	0.9
72.99311	11.5
73.02939	1.6
75.00871	100.0
76.52734	0.6
85.02921	3.3
87.00864	1.7
89.02444	5.3
93.03449	1.7
99.00877	0.8
101.02443	3.0
107.05039	1.9
108.02192	1.4
109.02956	1.9
109.06562	0.7
113.02447	1.6
119.03519	1.6
119.05016	0.8
122.03742	1.4
123.04475	0.7
125.06067	0.8
133.05078	6.1
137.06084	2.7
149.69498	0.6
151.03984	2.9
151.06058	0.9
161.04640	0.9
161.06041	0.9
165.05623	0.8
179.05687	1.3
179.07129	3.0
193.05028	0.8
207.10258	5.5
223.06052	4.5
237.11285	1.4
253.09254	1.5
254.05388	0.9
308.53632	0.8
313.09619	3.4
313.12915	75.0
314.13354	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	313.0927
Annotation	Bungeiside B
Peak:m/z	Relative Intensity
50.50831	0.3
56.33400	0.3
57.03447	0.5
59.01378	2.0
63.81623	0.2
71.01369	1.2
71.52040	0.4
72.99311	0.6
73.02980	0.3
75.00867	0.8
83.01390	0.3
85.02959	1.7
88.38567	0.3
89.02464	0.9
97.65522	0.2
99.00842	0.4
101.02442	0.9
107.05025	2.0
109.02949	2.7
111.00893	0.5
113.02435	0.6
119.03479	0.4
123.00882	0.9
123.03249	0.4
124.01641	0.9
125.02442	0.3
135.04581	0.6
137.06065	0.3
138.05617	2.5
148.07704	2.1
149.04558	0.3
150.03191	0.9
151.04004	100.0
152.04343	4.5
161.04495	0.4
169.01456	0.5
182.06403	0.8
191.01990	0.4
198.02316	0.3
226.05487	0.3
300.82214	0.3
313.05719	0.9
313.09293	9.2
313.12952	1.8
314.03369	0.8
314.09564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	2'-methoxybiochanin A
Peak:m/z	Relative Intensity
51.02383	1.1
56.53483	0.4
59.01376	1.1
70.27358	1.4
71.01353	0.4
71.05920	0.4
77.03965	6.2
93.03453	4.9
94.92654	0.4
95.01411	1.1
95.05037	1.5
96.36809	0.4
105.03480	4.4
109.02946	1.1
119.04993	0.6
121.02953	8.5
121.03767	0.7
123.00887	1.8
123.04526	11.4
124.01666	1.7
125.02441	0.5
131.01413	0.6
132.02182	2.2
133.02959	14.8
134.03352	0.6
139.07599	0.5
145.02959	0.9
148.01730	0.4
149.02444	9.0
150.02884	0.5
151.00345	0.5
152.01131	0.8
159.00970	0.5
160.01672	1.3
161.02438	0.7
175.00366	0.6
176.01170	4.9
177.01929	70.8
178.02412	3.2
205.01424	3.1
208.05229	0.4
210.01700	0.5
237.05415	0.4
252.04289	1.3
253.04924	0.5
267.06580	0.7
280.03735	1.1
281.04651	2.1
285.04089	0.8
286.04449	0.8
297.04138	1.1
298.04742	2.2
311.05597	1.9
311.27869	0.4
313.07175	100.0
314.07550	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.3
61.98826	11.9
65.00326	1.1
69.57185	0.8
70.68264	2.4
71.01377	1.4
73.02937	1.1
83.01385	1.1
85.02947	0.9
90.86843	0.9
95.01389	2.8
100.41586	0.9
105.03551	1.0
107.01392	13.9
108.02180	2.2
109.02933	1.1
123.00888	14.4
123.04514	1.7
124.01669	7.3
125.02433	5.6
132.02174	0.9
133.02963	1.6
139.00395	1.7
145.02966	9.0
146.03735	100.0
147.04036	4.5
149.02443	0.8
151.00368	38.7
151.01590	2.0
152.01172	5.8
161.02423	9.1
161.04814	1.6
161.06078	27.1
162.06389	1.4
166.19548	0.8
168.02495	2.0
169.01424	24.5
174.03163	1.0
176.01083	1.4
177.01900	1.6
183.04663	1.8
183.08405	0.8
187.03844	1.0
189.01880	3.5
190.02638	1.3
197.06071	2.4
198.06862	0.9
207.10245	1.5
211.03877	1.5
213.05493	5.2
214.06291	2.6
224.04747	1.1
225.05576	12.7
226.06335	6.8
227.03352	1.6
231.52565	1.0
239.03516	3.2
241.04982	3.7
242.05847	6.4
253.04994	6.1
253.09283	1.2
254.05841	10.8
255.06204	1.5
269.04639	1.5
269.08203	4.4
270.05380	1.1
280.03802	1.6
298.04816	17.1
299.05344	1.2
313.03677	5.6
313.07144	92.4
314.07520	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0717
Annotation	Eutypoid E
Peak:m/z	Relative Intensity
50.02920	2.5
55.01871	4.1
55.56091	2.7
56.07130	2.9
57.03445	5.9
57.86000	3.0
59.01384	21.8
61.91315	2.5
68.99809	10.4
95.01398	15.4
109.24708	2.9
117.03484	4.5
119.04964	5.9
121.02985	16.1
123.00873	22.7
125.02414	3.1
130.04214	6.8
145.02957	6.1
149.99529	2.9
151.00365	6.2
156.05878	3.5
161.04419	3.1
167.05074	4.9
171.08163	9.1
177.02020	2.9
181.06633	14.1
182.07230	3.6
184.05244	4.7
185.06087	3.0
195.04474	13.4
196.05215	2.9
197.06082	14.2
198.06824	6.7
208.05304	7.7
209.06076	46.2
210.06844	100.0
211.03967	11.2
211.07307	9.8
224.04773	3.7
225.05544	10.5
225.09135	15.1
226.06375	14.3
228.04268	3.1
236.04778	8.2
239.03520	18.2
240.04097	5.2
241.08694	5.5
243.06712	3.6
243.10297	3.3
251.07062	8.9
253.05135	3.9
253.09212	4.8
254.05815	16.8
269.08176	45.5
283.05984	4.2
285.07712	4.5
301.41687	2.8
313.03467	12.6
313.07129	37.4
313.14737	3.1
314.07333	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	311.2228
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.22427	1.0
57.03426	1.2
59.01378	15.0
59.87616	1.3
60.87687	1.1
61.98819	2.3
70.71651	1.3
71.52633	1.6
74.95464	1.1
96.96998	1.1
97.59380	1.3
100.56880	1.1
108.05103	1.3
109.96069	1.2
125.09731	2.9
139.11304	3.8
153.09154	1.7
171.10286	6.0
183.01175	5.0
195.59344	1.2
199.13387	1.8
211.13271	1.5
247.16856	1.4
249.22226	2.5
251.11446	3.6
267.23181	2.0
293.21289	9.3
311.13110	4.2
311.16724	9.3
311.22266	100.0
312.22556	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.01360	0.3
63.02391	0.7
65.00008	0.3
65.00326	4.2
67.20213	0.2
69.50289	0.3
69.50695	1.0
73.68056	0.2
81.03463	0.4
83.01392	4.1
105.03470	0.8
107.01389	5.4
117.03450	0.6
121.02940	0.3
123.04493	0.5
125.02451	7.4
126.02779	0.3
129.03604	0.2
131.01384	1.1
131.05074	0.2
133.02960	2.7
145.02852	0.2
146.03738	0.6
147.04524	2.0
149.02374	0.3
151.00368	8.2
152.00719	0.5
157.02962	0.2
159.00908	1.1
159.04552	0.6
160.01622	0.9
161.02440	6.0
161.06038	0.3
162.03056	0.3
167.04974	0.4
169.06589	0.3
171.04480	0.7
172.85614	0.2
173.02406	0.4
173.06020	0.3
174.03207	0.4
175.04019	2.3
180.62921	0.2
182.03711	0.2
183.02969	0.3
183.04485	0.4
184.05302	0.2
185.02415	0.4
185.06119	0.5
186.06357	0.2
187.00363	4.5
187.03981	0.3
188.01031	0.3
189.05656	0.3
195.04471	1.1
196.04999	0.3
197.06114	0.4
198.03214	0.3
199.03976	1.5
201.01949	0.5
203.03539	0.9
205.01431	0.4
211.04027	0.9
213.05574	0.8
215.03465	0.5
217.05020	1.6
222.79375	0.2
223.03864	1.1
224.04718	0.3
225.01976	0.3
225.05563	0.3
227.03494	1.3
239.03517	1.3
240.04387	0.3
241.05014	0.9
242.02214	0.3
243.03062	0.7
245.04488	0.5
251.03508	1.9
252.03734	0.2
257.04486	0.5
267.03015	3.0
268.03284	0.5
269.04416	0.3
285.04025	1.7
295.02484	11.6
296.03061	1.3
298.01215	0.4
298.04852	0.2
313.03534	100.0
314.00171	0.5
314.03885	9.6
336.22357	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96792	0.6
57.03448	1.8
59.01378	7.2
61.98844	1.3
66.75015	0.7
67.71820	0.7
70.73994	1.5
70.74336	1.1
97.06572	0.8
99.08157	3.5
111.08136	1.0
113.09713	2.5
127.11353	1.0
129.09238	5.9
139.11285	2.5
153.12756	1.1
169.12297	2.4
170.53647	0.8
171.10245	6.3
181.12349	4.7
183.13879	2.7
193.12352	3.5
197.11819	6.8
199.13416	1.4
211.13394	17.1
249.22081	0.8
275.20193	1.4
293.21259	20.3
294.21545	1.3
311.16614	2.5
311.22269	100.0
312.22672	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	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
53.14190	0.8
57.03446	1.9
59.01379	1.7
70.82669	1.3
70.82978	1.5
94.28781	0.9
99.08165	3.2
113.09696	3.2
115.27334	0.9
129.09233	5.1
139.11273	3.4
144.24452	1.1
151.11305	1.0
169.12352	3.0
171.10291	6.5
181.12343	4.3
183.13892	2.5
193.12317	3.9
195.13857	1.0
197.11810	11.2
199.13364	5.0
211.13419	16.9
272.12567	1.0
275.20227	1.2
293.21210	20.2
294.21414	1.8
311.22266	100.0
312.22610	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	311.2227
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.14625	0.3
57.03431	0.5
59.01378	2.6
61.98819	0.5
65.01199	0.3
69.68082	0.3
99.08173	0.6
113.09726	0.9
115.07643	1.2
127.07652	0.8
128.08414	0.6
167.14413	3.5
169.70395	0.3
181.12241	0.4
183.01202	0.8
183.13895	2.6
195.13896	11.1
196.14233	0.8
211.13403	1.3
213.15004	1.5
214.65465	0.3
229.27618	0.4
241.14488	0.5
242.15231	1.0
265.21741	0.7
267.23166	0.9
275.20026	0.4
283.22723	0.6
290.72348	0.3
293.21249	7.4
294.21472	0.9
311.22256	100.0
312.22562	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53665	0.5
57.03448	0.8
58.00592	8.0
59.01380	6.8
61.98820	1.2
70.62083	1.3
71.01376	1.0
72.70444	0.6
73.02935	1.0
107.79124	0.7
109.06569	1.5
119.94661	0.7
123.08141	0.6
125.09695	1.2
127.07684	4.6
127.11269	2.3
130.36302	0.7
132.39297	0.6
139.11375	0.6
139.31516	0.7
155.10797	1.2
171.10287	3.5
183.01230	1.1
183.13907	21.8
184.14204	1.2
195.13815	1.6
201.11331	19.5
202.11671	1.8
207.19264	0.6
211.13417	1.0
213.14987	5.1
223.13383	2.0
241.14465	6.0
275.20151	2.2
293.21234	6.7
311.22256	100.0
312.22635	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	311.2226
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.22727	0.7
56.17104	0.7
57.03439	1.9
58.00589	1.3
59.01366	3.3
67.54831	0.7
69.82071	1.4
69.82478	3.7
83.05030	1.1
90.41416	0.7
90.60337	0.7
91.95261	0.9
94.55686	0.8
99.08161	2.9
100.95327	0.7
113.09727	3.5
119.49133	0.8
129.09215	7.7
139.11244	0.9
151.11336	1.3
165.12773	0.7
167.14447	0.8
169.12329	2.9
171.10262	1.7
181.12370	5.5
183.13878	2.9
193.12364	1.8
195.13864	0.9
197.11807	12.2
198.12151	0.8
199.13403	4.7
200.13623	0.8
211.11478	1.5
211.13388	21.5
211.15419	1.1
212.13799	2.1
216.52721	0.9
227.12996	0.8
275.20071	2.1
293.21210	14.1
294.21732	0.9
311.22253	100.0
312.22589	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29617	0.6
51.57529	0.6
57.03444	0.8
58.00595	7.7
59.01387	6.1
61.98811	1.2
68.07383	0.7
69.47274	3.9
69.98457	0.6
69.99834	0.6
73.02937	1.7
77.37345	0.6
80.13132	0.6
89.54264	0.6
96.01910	0.6
104.30241	0.6
107.95683	0.6
109.06567	1.7
121.10260	0.6
121.17351	0.6
125.09696	2.1
127.07635	5.5
127.11266	2.5
136.86497	0.7
139.11266	0.7
150.78558	0.6
155.10806	1.1
165.09245	1.0
171.10263	2.3
179.14389	0.9
183.13885	21.9
184.14154	1.0
195.13875	1.9
201.11317	21.3
202.11777	0.8
211.13361	0.8
211.16086	0.7
213.14981	5.6
223.13353	2.3
241.14453	4.6
275.20187	2.5
293.21173	7.9
294.21558	1.1
296.06693	0.7
311.22253	100.0
312.22604	9.4
332.34241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03434	1.7
58.47778	0.5
59.01380	100.0
59.83063	0.5
60.01715	1.0
69.19783	5.2
71.01379	6.8
73.02957	2.4
75.00869	0.8
76.45525	0.5
78.43370	0.5
78.99458	0.5
83.01417	1.3
85.02950	6.5
86.03295	0.8
86.11961	0.5
87.00877	1.2
87.76940	0.5
89.02475	1.3
91.05534	1.2
93.03490	1.1
95.01382	0.7
99.00887	1.2
101.02436	4.4
111.00887	1.0
113.02438	2.8
118.82120	0.5
129.01967	1.0
134.03770	2.1
143.08688	1.3
153.01958	0.5
161.04549	2.6
163.04028	1.4
181.08798	0.7
187.07680	2.1
191.02031	0.8
193.05014	2.6
203.10394	0.6
231.06732	1.6
245.08603	2.2
245.58766	0.6
247.03033	0.6
247.09006	0.6
258.91571	0.5
269.10211	3.3
293.06750	2.8
325.98279	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01685	1.1
61.98848	1.3
65.49578	0.7
67.47678	0.8
69.78380	2.9
69.78786	1.5
70.38756	0.8
71.01379	10.0
73.02943	2.3
75.45709	0.8
76.96555	0.8
83.01349	1.0
85.02966	4.7
89.02435	1.5
90.88320	0.7
93.03440	1.7
95.01366	1.1
99.00874	1.7
101.02435	10.3
110.83186	0.8
113.02434	5.4
137.02432	3.2
152.91856	1.1
159.03035	1.3
161.04549	11.5
163.04068	1.0
189.05489	1.0
214.78954	0.9
251.11346	28.3
252.11607	1.7
296.77600	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41190	0.6
53.96193	0.5
59.01380	4.6
61.98816	0.6
65.00316	3.2
65.53402	0.5
69.76120	0.6
70.52618	1.1
95.01365	0.8
106.58446	0.5
123.00846	3.1
123.01655	0.5
130.04250	2.5
131.05043	6.1
136.01677	6.2
145.01892	1.0
145.02962	13.9
145.06555	1.2
149.99571	6.9
151.00258	1.0
161.02394	0.8
169.06635	1.0
181.06485	0.9
189.01936	2.8
197.06171	2.6
208.05287	0.6
209.06049	3.4
213.05544	2.1
224.04788	2.0
225.05554	12.5
226.05908	1.2
228.07877	3.5
236.04732	0.8
237.05540	1.6
237.77368	0.7
239.07138	1.3
243.06523	1.0
251.11348	0.7
252.04320	4.3
253.05038	29.7
254.05296	2.4
258.34201	0.6
267.06628	8.2
267.19748	3.2
268.07382	5.1
280.03714	1.9
281.04581	6.2
282.05167	0.8
293.17822	1.3
293.21069	0.6
295.06076	4.6
296.03397	1.0
296.06891	78.7
297.07257	7.9
311.09244	100.0
311.22137	1.4
311.29520	0.7
312.09619	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	311.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49152	0.6
59.01384	5.5
61.66546	0.6
63.90734	0.7
65.00309	2.3
66.01089	0.8
75.86270	0.7
84.82262	0.6
90.57560	0.6
108.02156	1.3
117.03432	0.9
123.00877	1.6
130.04214	1.4
131.05019	6.9
133.91823	0.6
136.01682	8.3
145.02940	14.4
145.06564	2.4
146.03287	0.8
147.00941	0.9
149.99574	6.9
151.00342	0.9
156.33031	0.6
156.68990	0.7
161.02417	1.8
169.06731	0.7
175.00264	0.7
181.06587	1.0
189.01886	2.6
197.06050	3.8
209.06091	3.3
211.07640	0.7
213.05574	2.5
224.04768	2.0
225.05568	13.5
226.05864	1.2
228.07912	4.3
230.80963	0.8
237.05566	1.4
239.07092	1.3
248.99899	0.7
252.04234	4.5
253.05048	33.0
254.05428	3.0
263.03568	0.8
267.06616	8.7
268.07385	3.8
270.04758	0.8
280.03732	1.8
281.04541	7.1
295.06009	5.5
296.06882	96.1
297.07263	9.7
311.09235	100.0
311.22195	1.7
311.29327	1.3
312.09570	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	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
54.90145	0.8
55.01857	1.1
55.30060	0.9
57.03427	3.9
59.01376	7.0
63.84196	0.9
69.03434	1.6
70.51791	2.7
71.01374	1.9
71.05045	1.1
73.02949	0.9
75.22434	0.9
76.47345	0.8
80.02656	1.5
81.03418	3.6
83.01395	8.9
83.05039	4.7
88.89360	1.0
95.05013	2.2
96.95964	1.3
97.06580	4.7
98.03716	1.5
99.00875	1.1
111.08156	0.9
113.09721	1.1
117.48615	1.0
119.04990	1.6
123.04438	3.0
123.08104	4.0
125.06052	2.7
125.08987	0.9
125.09718	12.4
127.11322	1.3
127.99538	0.9
135.08145	1.7
137.09651	1.4
139.10382	1.1
139.11293	11.9
141.09177	1.9
141.12732	1.0
151.03931	2.3
151.07573	3.3
151.11285	1.3
152.08342	2.3
153.12825	1.0
158.18620	1.1
163.03957	1.6
163.11281	8.4
165.09160	1.5
165.11642	1.1
165.12863	15.5
167.10789	7.1
168.11374	1.2
171.10281	1.6
174.50166	0.9
179.10732	1.0
181.12318	6.0
181.74788	1.0
183.13843	1.6
191.10675	4.1
193.12254	1.7
193.15936	5.2
197.11789	1.8
207.10216	1.8
209.02766	1.1
209.11830	62.7
209.15300	4.8
210.12065	3.8
211.13321	2.3
223.04259	1.3
225.11229	1.5
237.05910	1.0
247.18555	1.0
247.20660	12.7
248.21043	1.6
252.09698	1.3
263.19980	1.1
265.21713	5.2
273.18481	3.6
281.21140	1.6
291.19650	100.0
292.20068	8.9
308.29077	1.0
309.14474	9.4
309.17221	5.3
309.20551	34.1
310.15411	1.0
310.20938	3.3
314.26541	0.9
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
52.12975	1.0
57.03465	1.6
58.00560	1.5
58.33850	1.1
59.01375	1.8
71.01359	1.4
71.41966	2.3
83.04990	1.5
93.07092	1.9
99.47960	1.2
109.06573	1.6
111.08165	27.7
112.08540	1.4
114.86219	1.2
124.98378	1.3
127.07597	1.9
151.11293	2.1
169.12341	7.4
181.12276	2.8
183.13925	2.2
193.12372	1.5
197.11819	100.0
198.12125	6.0
199.13304	3.7
211.13362	11.4
227.12787	2.7
263.20154	9.3
265.18015	3.8
273.18671	1.4
291.19656	21.6
292.19968	1.9
309.17072	3.6
309.20685	48.7
310.20947	4.8
322.45645	1.2
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	9(S)-HpOTrE
Peak:m/z	Relative Intensity
57.03436	0.9
59.01356	2.2
67.65714	0.6
69.66490	2.8
71.01390	0.6
76.44233	0.6
83.05037	0.7
95.05019	0.5
97.06580	1.9
98.19919	0.6
113.09718	3.1
115.07628	1.8
125.06049	1.3
126.06863	1.3
126.52261	0.5
127.07520	0.8
139.11281	1.1
141.09206	1.8
151.03990	0.7
152.08379	0.8
163.80949	0.6
165.12839	4.7
167.10762	1.3
167.14365	1.9
181.12361	3.8
183.13870	1.6
193.12296	1.7
193.15900	1.0
195.13921	1.6
209.15422	2.1
211.13394	4.5
213.14940	0.8
221.15437	1.4
239.12950	0.7
240.13663	2.4
241.14386	0.8
247.20686	4.1
273.18497	2.7
281.21161	1.6
291.19650	44.3
292.20053	4.1
309.20688	100.0
310.21042	9.8
311.12283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
52.85278	4.3
53.99830	5.3
57.03443	15.6
58.24094	5.5
59.01388	27.1
61.98823	13.2
66.18827	4.5
68.41136	5.1
69.03461	6.1
70.25492	5.5
71.01378	17.7
73.02954	6.1
73.09235	4.5
83.05015	8.9
96.95992	5.4
99.00867	6.2
101.02456	10.6
101.79681	5.0
111.08174	6.8
113.09738	10.3
114.68174	4.5
119.05030	14.7
151.03995	17.7
151.07648	14.3
151.11272	28.0
152.08398	11.4
163.04002	6.7
163.11237	9.2
165.12856	34.4
179.10683	4.9
181.12338	44.4
183.01294	5.1
191.10776	17.1
209.11818	100.0
209.15291	30.9
210.12137	6.0
210.15839	6.6
211.13435	9.7
241.62286	4.8
247.20554	7.4
277.48276	5.2
291.19724	27.6
292.71390	4.5
309.15039	27.1
309.17200	32.9
309.20779	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
59.01387	5.1
61.98813	1.7
69.61224	5.3
74.85444	1.0
80.88345	1.0
93.07123	1.0
97.06611	2.0
111.08156	2.0
118.43229	0.8
119.05055	1.1
121.10236	10.4
123.08145	0.8
125.09727	6.8
125.38823	1.0
137.09711	2.8
163.03960	0.9
167.14383	2.2
171.10268	5.6
177.12720	1.0
185.11836	13.8
185.68857	0.8
186.60329	0.8
195.13899	1.4
197.11891	5.3
211.13393	65.7
212.13766	4.7
215.82884	0.8
234.95837	1.0
257.11115	0.9
273.18723	1.3
291.19656	100.0
292.20001	11.4
296.21686	1.0
309.20587	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67518	0.9
58.00595	1.2
58.02709	1.1
59.01353	1.1
63.68983	1.0
69.03455	1.5
70.82330	2.4
84.38211	1.0
88.21535	1.0
102.53262	1.2
109.06568	2.4
111.07384	2.1
111.08155	33.2
120.82463	1.0
127.07604	2.0
137.09702	1.4
151.07715	1.3
152.08415	1.4
163.11259	1.3
169.12331	6.8
171.10274	1.1
181.12338	1.7
197.11832	100.0
198.12202	4.2
199.13359	3.7
209.15408	1.8
211.13402	6.3
227.12779	3.7
247.20761	1.6
263.20139	4.9
265.18103	4.0
273.18610	2.2
291.19666	22.5
292.19904	2.2
309.17093	3.1
309.20688	43.2
310.21094	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
69.03452	5.4
70.52950	5.4
90.70998	1.6
96.89088	1.9
97.02948	28.1
97.06573	3.2
99.00867	4.0
119.08617	2.2
125.06101	1.6
125.09684	4.5
134.50665	1.7
137.09700	7.5
151.04045	2.7
151.07629	2.4
152.08411	4.5
163.11259	4.2
165.12843	11.2
171.10277	16.8
181.12306	5.1
182.71774	1.7
185.11945	1.9
193.12354	3.5
193.15858	2.2
209.11781	5.9
209.15410	8.6
211.13307	3.8
227.12875	8.7
247.20630	12.6
252.09918	1.5
273.18530	4.5
291.19656	100.0
292.19858	9.1
309.17035	11.9
309.20645	74.3
310.21042	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
56.63572	0.5
57.03445	0.6
59.01367	1.6
69.93060	2.5
73.02950	0.6
82.62391	0.5
95.01386	2.4
97.02946	1.5
97.06586	0.7
99.00875	7.2
100.87550	0.5
107.95314	0.6
110.03647	0.6
111.00865	2.0
111.08185	2.8
119.05003	0.6
122.33769	0.5
123.00925	1.1
125.06001	0.7
125.09751	0.7
137.06064	0.9
137.09691	1.6
148.22708	0.6
151.04016	21.0
151.07645	29.9
152.08440	39.3
153.08972	2.5
162.10460	1.1
163.11266	1.8
165.12798	2.2
171.10271	3.1
175.07634	1.2
179.14275	1.0
180.07846	0.7
181.12309	0.9
184.07388	5.9
190.09996	3.2
193.08699	3.5
193.15935	0.7
197.11847	7.6
208.10994	4.5
209.15460	54.4
210.15788	2.8
211.13354	1.8
223.13344	0.8
245.41843	0.6
247.17084	3.4
247.20599	2.3
251.16307	0.6
252.10013	10.6
253.10605	0.8
255.96471	0.6
265.18060	12.3
266.18494	0.9
273.18204	0.7
291.16083	3.4
291.19620	28.6
292.16830	0.7
292.19861	3.1
309.17026	100.0
309.20651	34.3
310.17334	10.1
310.21060	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	307.2279
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
51.76900	0.4
59.01376	1.3
61.98814	0.7
68.05452	0.6
71.01382	3.3
75.86568	0.4
76.95148	0.5
85.39923	0.5
98.20649	1.3
103.03999	1.7
157.05069	1.1
161.02512	0.7
247.08195	1.4
277.29877	0.5
306.32245	0.5
307.22781	100.0
308.23123	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	309.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41117	1.1
59.01107	1.7
59.01381	19.1
71.01381	10.7
71.52042	2.5
73.02944	37.2
75.00879	2.4
80.33519	1.1
83.01393	1.1
85.02953	4.5
87.61121	1.1
88.80690	1.2
89.02443	10.6
89.25235	1.1
99.00893	6.0
101.02470	4.5
113.02435	3.3
117.01943	100.0
119.03477	4.2
119.04998	1.9
147.06656	1.6
179.05682	1.2
180.96906	1.2
190.98677	1.1
215.24242	1.3
238.23314	1.2
270.13000	1.3
309.11929	26.2
310.12454	2.1
319.01208	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	309.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58748	0.7
55.46756	0.6
57.03446	4.2
59.01380	10.9
59.37455	0.6
62.60251	0.6
69.74593	3.6
71.01385	2.1
72.99307	0.6
73.02939	1.3
78.11049	0.6
80.96498	0.6
83.01427	0.9
83.05030	1.1
85.02956	2.6
87.00870	1.4
89.02439	0.8
91.05521	4.2
93.02924	0.6
93.03467	2.4
98.20657	0.7
101.02442	1.8
107.05080	0.8
111.04513	1.8
115.00383	2.9
119.05030	3.1
125.02456	1.8
127.00407	0.7
133.01451	1.0
134.03691	1.1
135.04529	100.0
136.04906	3.7
151.07672	1.2
152.07124	1.2
155.03456	1.1
156.06641	0.9
163.02484	3.4
163.03986	2.6
173.04572	3.0
175.02496	6.2
191.01910	0.7
193.05115	1.1
197.04530	1.7
309.09952	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Soraphen O
Peak:m/z	Relative Intensity
57.03436	0.8
59.01379	5.6
59.63979	0.5
69.03454	0.6
69.65443	2.8
71.01383	5.2
71.05022	4.7
80.02673	1.3
81.03012	0.6
81.03461	2.0
83.05022	1.9
93.03462	0.5
95.05013	1.6
96.96011	0.4
97.06605	0.7
98.03740	1.7
98.20654	0.6
103.04009	1.8
106.04231	0.9
109.06593	13.6
111.04524	6.3
111.08164	1.1
112.05337	0.7
121.06593	0.5
123.08179	1.2
127.07626	2.9
133.02998	0.5
135.04521	0.6
135.11794	0.6
137.06053	1.1
137.09691	0.9
139.23285	0.4
141.09245	0.4
143.10800	1.1
145.06590	1.9
149.06140	0.8
149.09724	1.1
151.11275	0.6
155.10805	0.5
157.05046	1.8
161.02420	1.5
163.11205	0.6
167.10774	1.5
170.83795	0.6
177.09262	0.6
177.12912	0.8
179.10890	1.1
181.12178	0.5
191.14423	1.0
195.13889	4.2
201.89516	0.5
205.09567	0.5
206.29611	0.5
235.13361	1.5
243.46075	0.6
245.19080	4.4
247.08266	0.9
249.14900	0.5
251.16586	1.4
261.18338	0.6
271.17017	1.3
273.15018	0.6
287.16516	1.8
289.18094	100.0
290.18430	9.5
307.08469	0.6
307.15717	0.9
307.19110	9.7
308.19855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Ostopanic acid
Peak:m/z	Relative Intensity
53.86324	3.0
57.03445	18.0
59.01379	39.2
61.98839	3.8
69.03443	3.7
71.01385	54.4
74.42359	3.1
78.92872	3.3
83.05032	10.0
85.02934	4.9
95.05000	4.3
97.06583	22.9
98.51746	3.7
103.04014	30.5
109.06541	3.9
111.08147	14.0
119.05070	3.5
121.02928	3.7
123.08130	4.4
125.09684	7.1
133.02924	5.2
135.04521	5.1
137.09692	3.6
149.09723	3.9
151.11311	24.8
155.10843	16.1
155.11887	3.7
157.05060	19.6
157.87035	3.3
161.02492	8.1
161.09706	4.4
163.11237	7.6
165.12840	33.7
167.10776	6.9
177.12849	4.8
179.10751	12.3
181.12349	42.2
191.10818	19.3
191.14435	10.5
195.10284	4.2
197.11716	4.8
205.12276	4.6
207.80054	3.1
209.11810	83.7
210.12187	5.8
211.13319	6.9
216.44911	3.1
239.09160	4.1
245.19109	36.6
247.08188	15.7
263.20099	13.5
279.19492	8.2
289.18079	44.7
307.08096	5.1
307.15619	8.1
307.19183	100.0
307.22729	13.9
308.19522	6.1
315.27231	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	5.9
59.01377	15.2
59.19320	1.2
67.01863	1.5
69.03446	4.6
71.01382	16.9
79.96638	1.2
80.02673	2.2
81.03455	6.9
83.01391	10.4
83.05016	5.4
84.65189	1.3
87.59060	1.8
93.44449	1.3
95.05015	5.3
97.02962	7.0
97.06609	7.9
103.04036	7.9
105.18848	1.4
106.04256	2.3
109.02880	1.5
109.06575	3.1
113.06124	1.9
119.08691	1.7
121.06603	4.2
123.04546	12.3
123.08166	6.4
125.06070	3.0
125.09720	22.6
135.08144	4.6
137.06041	1.7
137.09723	13.3
141.12851	4.2
142.02702	3.1
149.06154	2.6
149.09766	1.6
150.10567	1.5
151.11154	1.6
157.05057	4.5
161.02419	2.1
161.09729	2.1
163.07616	2.3
163.11296	19.7
164.08310	1.6
165.09184	1.5
165.12845	4.4
167.10846	1.9
177.12793	2.8
179.10712	3.5
181.12334	5.3
185.11829	22.1
186.12215	1.9
191.10721	4.3
191.14407	24.7
207.10268	11.8
209.11821	53.3
210.12209	3.5
211.13387	2.1
217.15923	3.3
225.11311	12.1
226.11961	2.1
243.17545	1.5
245.19090	53.7
246.19351	4.9
247.08159	4.9
263.20190	8.2
264.99234	1.6
265.18225	1.6
271.17105	6.9
289.18094	100.0
290.18484	9.9
307.19147	58.1
308.19357	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	16.8
59.01377	40.7
61.41684	3.1
61.85997	3.4
61.98825	4.6
65.27364	3.3
69.03481	3.8
71.01382	67.6
71.34711	3.2
77.12949	3.4
79.95735	11.9
83.05030	11.5
87.00904	4.0
93.03472	4.7
95.05035	5.5
97.06595	25.6
103.04025	24.5
111.08150	11.9
111.37051	3.3
121.02948	4.7
123.04536	5.9
123.08136	3.8
125.09723	7.4
135.04535	5.4
135.08159	4.5
137.09683	6.1
149.09615	4.9
151.11293	32.9
153.12836	4.2
155.10797	5.8
157.05064	18.4
161.02428	12.3
163.11270	8.1
165.12831	40.3
167.10756	5.9
171.10179	4.0
175.00362	3.7
177.12920	4.8
179.10768	12.2
181.12361	46.3
185.11899	7.3
191.10780	22.0
191.14436	8.1
197.11877	5.0
209.11826	100.0
210.12169	6.7
211.13336	10.7
245.19092	34.1
247.08238	12.1
251.13318	3.3
263.20209	13.9
271.17026	3.7
279.19742	5.3
289.18079	49.3
290.18335	3.8
307.19104	76.8
308.19083	21.3
317.51852	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	307.1399
Annotation	NSC-224070
Peak:m/z	Relative Intensity
57.03436	2.1
58.00592	3.2
59.01381	85.7
59.29580	1.8
70.70988	3.3
70.71312	1.8
71.01011	3.2
71.01384	51.6
72.99308	3.7
73.02952	3.2
77.15086	1.5
83.01398	2.1
85.02948	12.3
87.00887	2.4
89.02444	58.8
95.01377	2.5
99.08163	18.7
101.02453	26.4
105.22217	1.5
113.02450	20.4
119.03499	19.3
119.04989	3.1
127.07645	23.8
141.09169	1.9
143.03511	3.0
145.08708	54.2
161.02422	1.8
161.04594	2.9
163.03964	2.0
168.04388	2.4
168.54398	3.7
173.04526	2.6
179.05641	6.8
187.09787	2.5
196.21976	1.8
256.75620	1.7
307.13974	100.0
308.14438	6.1
310.23709	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	307.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.7
58.00588	3.7
59.01381	100.0
60.01724	1.5
61.67855	1.0
69.03461	1.2
69.23891	9.1
71.01385	61.7
72.99311	4.5
73.02934	1.2
83.01387	2.3
85.02954	23.5
87.00889	3.2
89.02449	72.2
89.29206	1.1
90.02774	1.2
92.86549	1.0
93.03465	1.8
95.01395	4.9
96.96018	1.6
97.02947	2.6
99.00874	1.1
101.02443	27.7
101.23987	1.0
103.04008	2.9
111.00835	1.1
113.02458	22.3
119.03505	29.8
119.04885	1.1
120.99634	1.2
122.42219	0.9
125.02419	1.5
127.07658	42.7
128.07968	1.7
129.01958	1.3
131.03479	3.3
133.02936	4.8
135.04503	3.9
137.16956	0.8
139.00340	1.0
141.01984	1.7
142.58284	0.9
143.03496	5.1
146.06123	1.0
147.02892	1.3
149.04550	1.5
157.05048	2.2
159.10439	1.1
160.07718	1.4
161.01135	1.3
161.02446	17.1
161.04570	3.4
173.04504	1.5
174.01645	6.1
179.03526	2.9
179.05618	9.1
188.07188	1.9
191.01987	3.3
193.05103	0.9
247.08141	1.9
307.08304	15.9
307.13788	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	307.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69736	0.5
57.04045	0.6
59.01379	100.0
60.01722	0.8
71.01378	6.3
71.52884	1.0
73.99506	0.6
85.02940	3.9
87.00879	1.0
89.02446	4.7
96.98882	0.6
99.08150	0.7
101.02459	2.0
103.04032	0.8
113.02467	2.0
119.03516	2.0
120.99669	2.6
128.03546	1.0
131.03581	0.8
133.02934	4.8
135.04523	4.9
136.02390	0.6
143.04643	1.6
145.08684	1.8
161.02434	15.8
162.02794	0.8
179.03482	3.9
179.05840	0.7
203.03584	0.7
232.37750	0.6
247.08344	0.8
263.09329	0.6
293.31885	0.6
307.08249	10.8
307.13895	10.6
308.08707	0.8
308.14362	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77369	2.8
57.03440	6.4
57.12029	2.4
59.01378	39.1
61.98803	3.0
66.06843	2.8
69.30458	25.7
71.01376	35.9
72.04546	23.1
85.02945	8.5
87.00897	12.3
87.05647	13.8
88.04029	18.2
89.02441	4.0
91.05544	12.4
93.03459	10.9
97.04066	8.0
99.04539	2.9
99.05652	4.4
100.04047	93.5
101.02447	3.8
103.04008	17.6
107.05034	4.4
109.04074	4.0
111.04542	4.7
113.02417	6.9
114.01990	3.1
115.05133	100.0
115.05951	6.0
119.03522	3.4
119.04989	2.8
127.07632	4.4
134.03728	4.7
135.04515	5.8
143.03456	6.5
144.03032	61.9
147.04501	7.6
157.05064	7.1
157.06390	3.1
158.34784	2.4
161.02373	4.4
161.04535	10.0
176.07132	17.8
189.06398	3.0
190.05061	3.6
191.05586	10.6
201.10277	8.4
220.06113	4.2
235.10870	53.4
245.09296	27.8
247.08197	7.6
261.08920	3.8
263.10403	15.7
264.10544	2.8
289.07880	4.6
307.08978	4.9
308.11349	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	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.5
59.01379	3.7
59.01637	0.8
69.92717	0.8
69.93128	1.9
71.01381	6.4
74.99069	6.2
76.27393	0.6
85.02937	0.9
91.02234	2.7
93.00122	2.1
95.20408	0.5
97.34587	0.5
98.19909	1.0
99.82989	0.5
103.04015	4.2
123.04376	0.5
133.02893	0.7
135.04546	0.9
149.00897	2.8
157.05048	2.1
159.08470	6.7
161.02469	1.4
161.06300	0.8
179.03474	0.8
192.98053	0.8
193.90608	0.5
206.99738	1.1
209.01173	2.6
217.07310	0.6
223.02821	50.1
224.02927	5.1
241.03973	0.9
247.08202	1.9
277.40991	0.6
289.07526	2.3
289.10745	0.6
291.09091	100.0
292.09213	12.5
307.08475	1.2
307.12164	4.6
307.19174	0.7
307.22760	0.6
309.10181	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59291	0.2
59.01379	2.0
59.96724	0.4
69.50492	1.6
71.01382	3.1
74.99066	5.9
74.99461	0.4
75.96217	0.3
85.02942	0.2
91.02206	2.8
93.00135	1.9
98.20686	0.3
103.04017	1.6
122.44114	0.2
139.06650	0.2
143.05327	0.6
149.00946	2.4
157.05072	0.9
159.07213	0.4
159.08473	7.5
160.77496	0.2
161.02457	0.3
161.06419	1.6
192.98146	0.8
206.99666	1.6
209.01253	2.5
217.07184	0.8
223.02823	50.4
224.02866	4.7
241.03880	0.6
247.08182	0.9
275.05972	0.5
289.07446	2.1
291.09091	100.0
292.09219	12.9
293.06805	0.3
307.12167	3.9
307.15472	0.4
308.12366	0.8
309.10095	0.9
329.17169	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06630	0.4
57.03460	1.0
59.01379	23.8
60.01719	0.4
69.03437	0.4
71.01377	6.8
71.53052	0.6
73.02962	0.4
81.03446	0.7
85.02950	13.4
87.00864	3.0
93.03487	0.8
97.06573	0.6
101.02460	0.5
102.05640	0.9
103.04006	3.1
108.02203	0.5
109.02953	2.4
111.00870	0.7
113.02454	0.8
116.44068	0.5
117.03452	0.7
120.99641	0.5
121.02951	0.8
127.04032	1.8
128.03554	1.4
132.02211	1.0
133.02956	29.0
134.03682	1.5
135.04524	30.8
136.04836	1.6
137.02423	1.8
139.04016	0.6
146.04573	2.3
149.06033	0.6
150.03210	1.0
157.05128	2.4
157.06253	0.6
159.06593	1.3
161.02438	100.0
162.02786	4.7
175.04025	1.0
175.07762	0.5
177.05583	2.1
178.02737	1.2
179.03494	25.8
180.03809	1.3
186.20160	0.5
201.05579	0.8
203.03499	5.2
221.04572	1.2
245.08266	1.0
247.08165	1.2
247.11899	0.9
263.05569	0.8
289.07245	4.5
307.04617	4.9
307.08167	47.6
308.08481	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	307.0822
Annotation	Dihydrofusarubin
Peak:m/z	Relative Intensity
55.01885	0.5
57.54057	0.4
59.01381	8.8
61.48584	0.4
63.51186	0.4
71.01381	4.7
71.53145	0.7
74.02489	0.6
81.03455	0.5
83.07505	0.4
85.02951	13.1
85.03474	0.7
87.00873	2.1
89.02431	1.8
101.02445	1.7
103.04018	1.6
109.02951	1.3
111.00928	0.6
113.02464	0.7
114.33329	0.4
119.03513	0.8
121.02977	0.9
127.04021	2.1
127.07648	0.8
132.02164	0.9
133.02957	29.8
134.03799	0.8
135.04530	23.4
136.04843	1.0
137.02406	1.5
145.08717	0.9
149.02423	0.5
149.06056	1.3
150.03224	2.1
157.05133	1.4
161.02441	100.0
162.02785	5.2
163.03972	0.6
170.75699	0.5
175.04068	0.4
177.05589	2.2
178.02687	1.7
179.03497	18.3
180.03813	1.2
186.66878	0.4
203.03500	3.9
221.04532	1.0
245.08141	0.9
247.08229	0.6
289.07285	3.1
307.08228	52.9
307.13571	7.9
308.08542	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	306.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27437	0.2
51.12265	0.2
58.96497	0.2
59.01389	1.0
61.98829	100.0
62.98515	0.3
69.75269	0.4
69.75674	0.8
71.01380	1.2
92.95962	0.2
95.74403	0.2
98.20625	0.4
103.04015	1.0
121.03010	0.3
134.97076	0.2
145.87032	0.2
148.93127	0.4
157.05048	0.5
159.38806	0.2
161.98969	1.4
162.98540	0.9
163.98660	0.4
164.96390	64.2
165.96460	3.6
196.42387	0.2
205.42731	0.2
206.97435	25.2
207.97583	2.0
231.28831	0.2
247.08087	0.4
252.94615	0.5
264.96542	0.3
306.97531	25.4
307.97653	3.7
308.00864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0665
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
57.03445	6.9
58.24669	0.8
68.64182	0.7
69.03436	1.4
71.06026	1.7
81.03448	4.9
81.13107	0.8
83.01389	3.8
93.03469	1.8
95.01373	2.6
95.05010	3.6
97.02950	3.8
101.43767	0.8
109.02951	14.6
111.04533	5.5
121.02933	2.5
123.00896	5.9
123.04456	1.3
124.01670	3.8
125.02441	100.0
126.02764	3.6
135.04527	1.5
137.02441	30.6
138.03163	1.3
139.04015	23.2
149.02406	1.6
149.06046	1.5
151.03938	2.4
157.58075	0.9
159.04532	1.1
160.82661	0.8
161.02415	3.0
164.01134	6.1
165.01918	22.6
166.02577	1.3
167.03484	22.6
168.03723	1.3
173.06017	0.9
175.03992	2.5
175.07632	0.9
176.04723	1.0
177.01921	2.7
177.05634	3.7
178.02701	1.7
179.03490	23.3
180.03722	1.0
191.07126	2.4
199.12717	0.8
201.05522	1.7
203.03488	3.6
204.04198	2.8
215.06961	0.8
218.05585	0.7
219.06595	18.1
220.07018	1.3
221.04526	8.1
243.06674	1.4
248.94009	0.7
261.07648	6.9
305.06641	85.5
306.06906	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	305.0667
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
50.78745	0.7
57.03439	7.4
68.99572	14.2
69.03477	1.7
70.64372	2.4
73.37624	0.8
81.03466	3.1
83.01394	4.2
93.03446	2.5
93.31693	0.7
95.01392	1.7
95.05035	2.8
95.05558	0.7
97.02953	4.6
99.00945	0.8
107.05041	0.9
109.02952	13.6
111.04511	6.4
112.98567	21.6
121.02974	1.9
123.00880	6.7
123.04607	1.6
124.01689	5.4
125.02450	100.0
126.02808	2.8
131.03540	1.5
135.04489	1.8
137.02446	29.9
138.03116	1.8
139.04019	22.0
140.04414	0.9
147.04572	1.3
149.02440	1.3
149.04704	0.7
149.06082	2.4
151.03979	2.6
159.04536	1.6
161.02426	3.0
164.01183	5.0
165.01927	23.9
166.02562	2.4
167.03493	20.2
168.03871	1.4
173.06042	0.9
175.04005	2.6
175.07693	1.2
176.40529	0.7
177.01959	2.3
177.05565	5.9
178.02724	0.7
179.03510	22.0
180.03888	0.8
191.04086	0.8
191.05606	5.2
191.07112	1.9
201.05547	1.6
203.03494	3.7
204.04228	4.5
215.07065	0.8
219.06622	15.8
220.07034	1.2
221.04579	8.6
233.08192	0.8
243.06654	1.1
261.07651	6.4
305.06668	81.8
306.06943	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	304.0588
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64671	0.7
57.03447	14.7
59.01376	3.5
61.98817	1.5
66.01347	1.0
69.03453	1.6
71.01393	1.4
81.03459	2.5
83.01390	3.7
85.02978	1.3
87.00862	1.7
89.02442	0.9
93.03454	2.9
95.01385	2.1
95.05027	1.9
97.02954	2.1
101.02463	0.8
108.02174	0.7
109.02955	10.5
111.00878	1.1
111.04522	1.1
113.02377	1.3
121.02965	4.0
123.00874	3.1
123.04477	1.2
124.01660	3.7
125.02451	100.0
126.02775	6.8
130.08702	1.5
132.02185	1.1
133.02971	2.1
136.20642	0.8
137.02455	20.4
138.03204	2.4
139.04012	10.1
149.02475	3.7
151.04001	2.3
155.03481	1.0
161.02428	1.8
164.01141	4.2
165.01933	12.3
166.02635	3.0
167.03497	17.5
173.04576	1.1
175.03922	1.4
177.01924	25.3
177.05566	1.5
178.02475	2.4
179.03523	7.5
201.05605	1.2
203.03633	1.3
219.06583	5.6
221.04590	2.0
241.15776	0.9
251.00235	0.8
261.07672	3.2
286.04349	1.4
303.05072	1.1
304.05298	1.4
305.06641	38.7
305.12064	1.8
305.15399	4.1
306.06934	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	304.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	37.2
59.03321	0.4
60.51452	0.3
69.78951	0.8
69.79340	0.8
98.20598	0.4
116.18803	0.3
158.75644	0.4
168.13933	100.0
169.14294	5.4
212.12906	3.0
257.51279	0.3
304.19254	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1965
Annotation	Agallochin I
Peak:m/z	Relative Intensity
57.03440	1.1
59.01389	2.1
61.98822	0.4
66.28188	0.3
69.03450	0.9
71.01383	5.0
71.05012	0.5
71.52899	0.5
71.69048	0.4
72.02170	1.2
73.02950	4.4
81.07100	1.0
83.05019	3.4
85.02976	0.4
86.64752	0.4
93.07096	1.5
95.05032	1.9
97.02992	0.9
99.04527	1.4
105.07120	0.5
106.04244	1.7
107.05075	1.9
107.07518	0.4
108.02180	0.7
109.02955	0.6
109.06590	7.6
111.07385	0.6
111.08160	11.6
111.08903	0.8
118.39356	0.4
121.02972	1.0
121.06596	42.8
122.03743	1.5
122.06934	1.7
123.04538	1.0
123.08176	0.8
124.05334	0.6
125.02395	0.5
133.06612	0.9
133.10239	1.0
134.03725	2.0
135.04524	0.6
137.02452	0.8
137.06082	6.5
138.03223	0.6
139.07651	100.0
140.07988	4.5
147.08151	1.2
149.06079	14.4
150.06415	0.5
151.07658	1.3
152.04753	0.5
153.09137	0.4
161.09727	0.4
162.10516	0.5
163.11281	4.0
165.09184	0.9
167.07138	18.5
168.07774	1.8
171.08167	1.7
177.01906	0.6
177.66736	0.4
185.09746	0.5
189.09183	3.6
189.48833	0.4
190.09558	0.4
203.10750	0.6
204.11563	0.5
213.16458	0.7
214.24086	0.3
227.14323	0.5
251.14429	1.2
252.15169	0.4
255.17465	0.5
257.19086	0.8
267.17517	10.6
268.17825	1.4
269.15369	1.4
270.16098	0.6
285.18594	28.6
286.18909	2.9
303.05429	0.4
303.19647	29.9
304.19922	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	304.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62552	0.2
51.80148	0.2
53.04767	0.2
55.93473	0.2
59.01373	2.3
61.98830	100.0
62.43211	0.2
62.98546	0.3
69.86439	1.1
86.85105	0.2
98.70821	0.2
109.96921	0.2
159.01511	0.7
160.01613	0.9
161.01236	0.6
161.98947	20.3
162.99054	1.2
195.89551	0.2
203.02322	0.2
203.99976	4.1
219.97896	0.3
233.33727	0.2
250.94830	0.2
254.70865	0.2
261.99036	0.3
293.67841	0.2
304.00064	14.5
305.00131	2.9
305.03162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	11.0
59.01379	86.3
68.48552	3.2
69.03444	6.5
69.32300	15.4
69.32722	9.1
71.01383	31.8
72.99305	43.8
75.00872	28.3
81.20177	3.4
83.01398	6.4
83.05038	5.1
85.02960	9.7
87.00868	10.2
89.02444	49.2
93.03422	4.5
97.02950	3.8
97.06585	18.9
99.00858	14.2
101.02460	4.7
101.06104	3.8
104.27686	3.1
107.05021	6.7
109.02934	11.0
109.06614	6.5
110.03761	3.5
111.08156	24.8
112.98809	18.7
117.01947	29.8
120.05869	3.1
121.06586	12.4
123.08112	6.5
124.01659	8.5
124.98817	7.9
125.02439	21.6
125.06068	12.9
129.01930	3.4
135.03011	15.6
137.02451	32.7
137.06088	6.0
138.03217	4.2
139.07657	32.9
142.99860	100.0
145.02895	3.5
147.04500	4.4
149.02454	5.1
149.06088	23.8
151.04010	4.4
153.05556	17.4
155.07150	4.3
163.04063	3.2
165.01891	10.2
165.05652	3.8
166.06326	3.2
167.07114	53.3
168.07463	3.6
173.00940	26.1
173.02281	5.8
174.01691	29.4
175.03979	6.9
177.01906	9.5
181.08673	13.4
183.06570	3.9
183.10223	14.9
184.10579	7.3
185.10715	11.7
193.05005	8.7
195.98036	3.2
197.79689	3.6
199.47142	3.2
207.06682	3.8
211.06129	10.9
213.07668	12.0
217.05049	3.9
225.07693	29.8
226.08101	3.1
235.06123	4.0
257.04422	4.3
275.05463	4.7
285.03986	9.1
302.97153	3.2
303.05042	5.7
303.13651	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	303.1966
Annotation	Agallochin I
Peak:m/z	Relative Intensity
57.03441	4.8
59.01384	8.6
60.99313	3.2
61.98816	2.4
63.21396	1.5
83.05035	11.0
109.06593	3.2
111.08175	5.4
115.92025	1.6
123.08166	4.4
137.06038	1.6
168.13982	2.0
181.50635	1.4
241.19598	1.6
257.19135	4.2
259.20627	4.0
285.18536	5.4
303.19662	100.0
304.20001	11.2
311.14413	1.7
317.55893	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0509
Annotation	3,5,7,2',5'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
55.39217	1.3
57.03441	4.6
59.01375	2.9
60.94087	1.3
63.43274	1.1
65.00321	1.3
67.01865	1.7
69.03443	3.3
69.13729	13.0
73.02920	1.2
81.03446	3.5
82.63189	1.3
83.01384	7.8
85.02927	1.8
85.52042	1.2
93.03455	4.0
95.01360	2.2
97.02946	2.6
101.47620	1.5
107.05027	1.3
109.02959	32.8
111.00899	1.7
119.05030	2.3
121.02979	10.4
123.00855	2.7
123.04543	2.4
124.01650	5.0
125.02449	57.6
126.02766	3.0
133.06598	1.9
137.02448	100.0
138.03070	4.5
141.05565	4.0
141.31241	1.3
143.05022	3.4
144.25677	1.4
145.02921	2.4
145.06567	1.9
146.03793	1.5
147.04536	3.4
149.02463	10.3
150.03207	7.0
151.04025	7.0
153.01981	6.2
161.06058	2.7
163.03946	4.6
164.01146	2.7
165.01930	28.2
166.02696	7.1
171.04527	2.5
173.02400	4.9
173.21466	1.2
174.03226	1.6
175.04016	11.6
177.00479	2.1
177.01917	18.9
178.02299	2.0
179.03410	1.4
180.30299	1.3
185.06052	4.3
185.08746	1.2
187.04028	2.9
188.04755	2.2
189.05566	10.5
191.03517	7.6
193.05147	6.5
197.06172	1.8
199.03978	8.6
201.01868	2.3
202.02675	1.8
204.31557	1.4
205.05026	4.8
207.06583	12.3
213.05550	6.9
215.03438	5.2
217.01518	1.5
217.05069	18.0
219.02946	4.3
229.04974	3.8
231.06502	5.3
233.04477	7.0
235.06058	9.7
239.03467	2.1
241.05064	11.3
242.02119	2.0
243.02971	2.4
245.00841	1.8
257.04593	10.8
259.06165	11.3
260.03284	1.5
261.04108	3.3
274.04803	8.2
275.05618	21.5
276.05933	3.2
285.04031	23.9
286.04437	3.3
303.05096	41.3
304.05313	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	303.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95012	0.7
57.03448	17.4
63.96176	0.9
65.00312	3.3
68.69132	0.7
70.03682	0.8
70.27757	1.9
70.28111	1.6
81.03455	1.5
83.01392	7.7
93.03493	1.6
107.01385	2.1
108.02153	1.0
109.02938	4.6
121.02956	2.3
121.49629	0.7
123.04530	7.9
124.01649	1.3
125.02451	100.0
126.02800	2.5
137.02423	2.5
139.03987	1.4
147.04533	2.2
149.02415	5.3
150.03230	6.6
151.00366	9.7
151.04010	9.9
152.01178	6.2
153.01938	7.4
161.02504	1.2
161.06035	1.0
165.01949	1.3
165.05534	0.9
171.04491	1.1
172.05296	1.2
173.05965	0.9
174.03204	2.3
175.03992	15.7
176.04410	0.9
177.01939	18.6
178.02228	1.4
178.99835	9.0
181.01440	2.7
188.04803	2.0
189.05594	4.5
193.05035	2.5
199.03996	7.8
201.01904	2.9
213.05595	1.3
216.04204	1.6
217.05070	8.9
231.06593	2.0
241.05058	7.6
243.02995	1.8
257.04535	1.0
259.06076	6.1
275.05597	6.9
285.04050	60.1
286.04410	5.6
303.05106	11.6
304.05573	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.166
Annotation	Viridamine
Peak:m/z	Relative Intensity
60.97505	0.8
67.85744	0.3
68.16145	0.3
70.69994	0.6
72.37054	0.3
74.99074	0.4
87.64776	0.3
107.51498	0.3
118.96282	0.9
134.99408	3.9
136.97318	1.6
143.05339	2.2
150.98796	0.4
159.08466	1.5
161.06415	4.0
187.04398	0.4
201.04146	0.8
203.05629	2.9
204.05859	0.3
205.03572	0.9
215.05696	0.8
217.07204	75.4
218.07327	6.0
247.90421	0.3
283.11911	0.4
285.13470	33.0
286.13660	3.5
290.95441	0.3
301.16599	100.0
302.16800	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	301.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59784	0.7
56.28268	0.9
59.01385	1.1
59.90702	0.7
60.33979	0.8
61.98835	1.4
67.11567	0.7
80.42823	0.8
89.81532	0.7
126.05547	0.8
126.67238	0.7
132.45901	0.7
151.00314	1.0
181.64583	0.8
205.12343	10.0
215.31815	0.8
217.07231	0.8
229.04346	0.9
244.83887	0.7
252.13725	1.2
301.03363	2.2
301.21716	100.0
302.22079	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2171
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
61.98821	1.3
71.51607	0.7
97.79516	0.9
171.53606	0.8
177.16481	1.2
183.13869	2.1
217.07224	1.2
244.66824	0.8
300.99872	2.1
301.03452	4.0
301.16345	2.7
301.21695	100.0
302.17392	1.3
302.18549	1.2
302.22086	10.3
305.25461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0508
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
57.03447	14.5
59.01373	1.7
62.11040	0.5
63.02409	1.0
65.00327	2.8
67.01889	0.7
69.71685	0.7
71.01376	1.3
71.07029	1.4
73.02956	1.1
75.39841	0.5
81.03455	1.6
83.01385	7.7
85.02954	1.2
87.00885	0.8
93.03458	0.7
95.01389	1.5
97.02946	0.6
105.75227	0.5
107.01390	2.4
108.02171	0.6
109.02950	4.2
111.00871	1.7
111.04530	1.5
114.67926	0.5
117.15839	0.6
119.03102	0.5
121.02978	1.7
122.03714	0.9
123.04505	6.1
124.01667	2.2
125.02448	100.0
126.02791	3.0
127.00297	0.5
137.02504	3.3
139.04016	2.4
140.07188	0.8
141.01904	1.2
143.05048	1.0
146.03712	0.8
147.04512	2.6
149.02420	5.3
150.03218	5.9
151.00366	9.4
151.04013	7.8
152.01141	4.2
153.01947	8.9
161.02431	2.3
161.06073	0.8
163.03937	0.6
165.01952	1.0
165.05592	0.8
169.01395	0.7
171.04524	1.6
171.06638	0.7
173.06046	1.0
174.01889	0.6
174.03265	3.4
175.03987	16.8
177.01930	19.1
178.02235	0.9
178.99858	9.4
181.01433	1.5
185.06082	1.0
187.04002	0.7
188.04781	2.2
189.05548	3.8
193.05070	2.1
199.04010	9.4
200.04333	0.8
201.01909	3.0
213.05580	1.7
215.07104	1.1
216.04272	1.6
217.05055	10.0
222.11952	0.8
231.06635	1.5
235.06030	0.7
241.05093	6.5
243.02974	1.2
257.04578	0.9
259.06085	5.3
267.03046	0.9
275.05624	5.0
285.04028	69.1
286.04379	5.2
303.05069	14.0
303.14236	0.9
304.05411	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	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.2
58.00623	0.2
59.01379	0.7
64.10745	0.2
65.67463	0.1
69.83677	0.8
81.24757	0.1
89.02432	0.3
91.04004	0.9
107.01388	0.2
111.08154	0.3
130.70227	0.2
131.63022	0.1
151.00375	0.4
165.12856	3.2
166.13171	0.2
183.13896	100.0
184.14235	5.3
209.11826	2.7
227.12880	4.4
228.13249	0.2
301.00586	0.2
301.03616	0.7
301.16571	14.6
302.16846	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
70.54391	0.4
82.49866	0.2
88.03191	0.2
89.02431	0.3
91.03996	1.1
97.06606	0.3
123.00874	0.2
130.27315	0.2
137.00175	0.2
142.38873	0.2
149.02461	0.3
151.00346	0.8
165.12827	3.2
166.13210	0.2
183.13895	100.0
184.14230	5.3
209.11842	2.9
227.12878	4.6
301.03500	1.4
301.16589	12.8
302.16864	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	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82870	0.2
59.01379	1.9
65.00309	0.7
66.02837	0.2
69.33974	2.1
73.02962	0.2
75.91460	0.2
78.88450	0.3
83.01407	0.2
89.02454	0.4
91.04018	0.8
93.03430	0.4
96.92471	0.2
107.01392	1.2
109.02936	0.3
121.02946	1.3
123.00896	0.3
124.01673	0.3
125.02454	1.5
139.00392	0.2
149.02469	2.4
151.00372	2.8
152.01155	0.5
165.12848	3.7
168.50104	0.3
178.99890	0.6
183.13895	100.0
184.14236	6.0
199.04039	0.3
209.11844	4.1
210.12309	0.2
227.03317	0.3
227.12862	4.3
245.04326	0.3
255.02869	0.4
256.03265	0.4
272.02908	0.6
273.07764	0.9
283.02527	0.4
286.03757	0.3
301.03513	13.1
301.06995	0.6
301.16568	13.7
302.04007	1.3
302.16895	1.4
315.69693	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0929
Annotation	Isotachioside
Peak:m/z	Relative Intensity
55.80490	0.4
59.01367	1.5
61.98818	0.4
66.54002	0.3
70.99652	0.6
71.01377	4.5
73.02937	1.4
74.99102	0.6
83.01386	0.9
85.02946	2.0
91.72350	0.3
93.03471	0.9
95.01382	5.2
99.00875	0.6
101.02448	2.8
108.02182	0.8
109.02934	1.0
113.02439	3.0
121.02947	2.5
122.03701	0.4
123.00886	100.0
124.01626	4.6
125.02472	1.7
132.98244	0.3
136.01642	0.6
137.02472	3.8
138.03229	62.1
139.00357	0.8
139.04036	12.8
149.02499	2.8
150.03232	1.0
151.03973	2.0
159.02995	0.6
161.04575	4.7
163.04002	1.1
166.02705	2.6
168.00688	0.5
169.01498	0.6
178.02742	1.2
181.05054	6.6
182.05415	0.4
193.05029	3.0
198.45782	0.4
301.05719	1.8
301.09360	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	301.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58623	0.5
57.03450	5.6
59.01370	1.5
63.09637	0.5
69.03460	14.3
69.50132	3.2
71.05024	2.1
79.95730	0.7
80.47610	0.7
89.02411	0.6
98.20624	1.2
99.72145	0.6
111.08155	4.1
113.06084	1.9
123.08175	1.3
139.10216	1.0
139.11299	17.9
140.11687	0.6
151.00336	1.8
178.99902	0.8
183.10252	100.0
184.10606	5.2
272.02887	0.9
284.20688	0.6
301.03342	6.2
301.12881	17.7
302.13281	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	301.0353
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.94562	0.4
56.04302	0.3
57.29055	0.3
59.01386	0.9
63.02400	8.3
65.00327	13.0
69.49288	1.8
83.01389	8.0
84.01713	0.3
85.96425	0.3
93.03454	3.9
95.01411	0.7
103.87842	0.4
107.01392	23.0
108.04552	0.9
108.99349	0.4
109.02970	1.9
121.02954	20.0
122.03278	0.8
123.00919	0.4
124.01668	0.7
124.07703	0.8
125.02467	0.8
127.25602	0.4
134.28839	0.4
136.07687	2.6
139.04025	1.7
145.03014	0.4
146.03751	0.4
147.04575	0.4
148.01695	0.4
149.02449	2.4
151.00368	64.9
152.00700	1.8
157.06503	0.3
159.04530	0.8
161.02463	1.5
163.00352	1.6
163.04015	0.9
164.01141	1.2
165.12804	0.4
167.05054	0.4
169.01447	1.3
175.03987	1.0
178.99855	22.2
180.00185	1.2
183.04480	0.6
183.13890	3.5
185.06105	0.5
187.03998	1.1
192.00743	0.4
193.01457	1.3
201.05582	0.6
203.03496	0.5
205.05090	0.8
211.04010	0.8
215.03589	0.6
227.03506	1.1
227.12718	0.4
229.05099	1.6
243.02864	0.4
245.04547	1.7
255.02921	1.2
257.04602	0.9
257.12936	4.9
271.02402	0.5
273.04056	2.7
283.02463	0.5
299.01883	0.5
301.03525	100.0
302.03854	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	301.0565
Annotation	fludiazepam
Peak:m/z	Relative Intensity
51.25430	0.6
55.04776	0.8
59.71149	0.6
63.37348	0.5
66.05714	0.6
69.03440	2.8
75.40263	0.6
76.22551	0.5
79.01897	1.0
81.03459	1.1
83.01405	1.0
86.74049	0.7
94.13342	0.6
95.01417	0.9
97.02951	1.8
104.51962	0.7
107.01414	1.1
123.00867	4.0
124.01670	13.9
125.02447	47.9
126.02816	1.2
149.99583	26.7
151.00298	2.4
168.00639	67.5
169.01343	7.3
185.76822	0.6
283.04626	7.1
301.05643	100.0
302.06003	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	301.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17691	2.5
53.50233	3.3
59.01380	79.0
68.16807	2.4
69.70871	8.7
69.71274	4.8
80.36108	2.5
87.00883	5.9
96.96020	14.8
107.91218	3.0
115.02505	10.0
117.00472	4.0
136.94012	10.4
142.96631	40.2
157.95386	3.4
158.99760	13.1
159.01494	100.0
160.01595	7.6
160.97684	11.6
162.81209	2.6
166.92485	2.6
177.00807	18.2
178.94989	7.3
201.00858	5.9
201.02536	24.8
210.99306	2.9
212.97134	4.6
229.00291	6.0
230.98157	7.1
240.86548	3.5
247.01300	6.1
256.89627	3.0
258.87387	39.6
259.01547	4.3
259.87967	12.5
264.84796	5.8
265.34927	3.0
265.84512	4.6
272.85318	4.3
272.99390	5.8
273.86121	15.7
274.90588	7.9
276.88449	92.7
277.88522	10.5
291.87238	38.8
300.38809	3.3
300.85181	4.1
300.88376	29.6
300.98782	26.9
301.02640	66.7
302.02771	8.7
318.89508	76.4
319.89648	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	301.0354
Annotation	Quercetin
Peak:m/z	Relative Intensity
57.92864	0.3
59.01377	0.3
63.02373	0.6
63.55164	0.3
65.00335	2.2
66.56058	0.2
69.35628	1.3
69.36035	0.5
69.38323	0.2
83.01393	0.9
93.03486	0.6
95.46856	0.3
98.04605	0.3
105.03461	0.6
107.01397	3.9
108.01751	0.3
121.02956	1.1
132.93475	0.3
149.02435	26.5
150.02798	1.0
151.00362	7.9
159.04475	0.7
173.06073	0.3
175.58144	0.3
183.04469	1.0
187.03972	0.6
189.01932	0.4
189.05484	0.3
191.03513	3.7
199.04012	0.5
211.03984	1.0
213.09209	0.4
215.03535	1.7
217.01482	0.7
227.03508	1.3
229.01442	0.3
229.04980	0.6
233.04553	1.1
239.03525	1.7
255.03156	1.5
256.03458	0.4
257.04483	0.5
259.02484	0.3
270.63226	0.3
273.03864	0.8
283.02502	0.7
301.03522	100.0
302.03879	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	299.0923
Annotation	6,7-Dihydroxy-2,3,4-trimethoxyphenanthrene
Peak:m/z	Relative Intensity
54.21175	0.2
65.00325	0.9
67.01882	0.2
79.95729	1.5
93.03477	1.2
94.98076	0.4
95.01395	1.4
106.00612	0.2
106.04246	2.2
107.01379	2.7
108.02217	0.4
109.02959	4.8
111.75639	0.2
119.05025	0.9
121.02956	0.6
122.03762	1.2
123.00890	4.0
123.04540	0.2
124.01663	1.2
132.02193	0.5
133.02956	2.2
133.06680	0.2
134.03760	1.2
136.01656	0.3
137.02446	8.6
138.02805	0.4
143.05054	0.2
144.71410	0.2
145.02956	1.8
146.03719	0.3
147.26369	0.1
149.02434	2.3
149.99593	4.2
150.03221	3.9
151.00363	4.0
152.01091	0.4
154.02715	0.6
160.01692	1.6
161.02377	0.5
161.06085	0.9
161.43065	0.2
166.02647	0.3
169.01405	0.5
177.01924	6.6
178.02707	36.4
179.03049	2.1
197.06061	0.2
210.01811	0.2
210.56784	0.2
211.07722	0.4
212.08394	0.7
215.10815	0.5
225.05693	0.2
240.07884	2.0
243.10243	0.5
255.10246	3.4
256.03668	0.3
256.10434	0.3
266.05856	0.3
271.09735	0.7
283.05963	0.2
284.03287	2.2
284.06888	3.7
284.09961	0.1
285.03433	0.3
285.06998	0.3
298.09045	0.2
299.09222	100.0
300.09561	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1134
Annotation	Salidroside
Peak:m/z	Relative Intensity
55.01892	1.3
57.03439	1.9
58.00586	4.9
59.01381	100.0
60.01704	1.6
71.01381	62.1
71.52949	1.3
72.99313	5.7
73.02949	3.0
74.99058	1.1
75.00892	1.9
75.61681	1.0
83.01382	2.2
83.69595	1.0
85.02956	11.0
87.00876	5.4
89.02444	79.9
93.03465	1.9
95.01388	4.5
101.02441	39.1
107.05020	1.7
113.02447	24.8
119.03510	35.7
119.05006	15.3
131.03514	3.1
137.02444	3.8
137.06093	5.6
138.05600	14.1
139.11288	4.6
142.83127	1.1
143.03506	3.0
149.04561	3.8
161.04599	2.1
167.03552	2.2
179.05574	4.3
209.04510	1.4
211.04054	1.2
226.38152	1.2
227.03474	2.8
228.04372	1.7
240.04274	2.3
240.95854	1.0
255.02971	1.9
256.03708	1.5
283.02396	1.1
284.03290	24.8
285.03674	2.5
299.02139	2.2
299.05484	14.5
299.11380	17.1
299.14835	1.8
300.06027	2.0
300.10956	3.7
307.21695	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0561
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
63.02382	0.7
65.00332	0.5
69.49780	1.0
72.07677	0.2
73.64181	0.1
73.64590	0.2
77.92828	0.1
78.05568	0.2
83.01366	0.7
92.92466	0.1
95.01389	0.2
107.01382	1.7
108.02144	0.3
114.14438	0.1
121.02909	0.1
125.02401	0.5
132.01332	0.2
132.02127	0.8
133.02930	0.5
134.03752	0.9
148.01627	0.4
149.02422	0.3
149.99576	0.3
151.00368	3.4
152.01065	0.2
157.40289	0.2
159.04460	0.2
161.02492	0.9
162.03192	0.8
172.05298	0.2
183.04454	0.5
186.03162	0.2
187.03976	0.4
188.04733	0.5
199.03925	0.7
200.04778	0.8
201.99612	0.2
211.04030	0.9
212.04770	0.2
214.02614	0.2
227.03456	2.6
228.04182	0.5
239.03439	0.5
255.02963	2.0
256.03751	29.9
257.04147	2.0
271.02554	0.3
283.02539	0.8
284.03244	100.0
285.03580	8.1
299.05591	73.1
300.05942	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	299.0772
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
59.01366	1.1
59.90125	0.3
60.67057	0.3
60.93054	0.3
65.03947	0.4
71.01376	2.3
73.02948	0.6
81.22556	0.4
83.01352	0.4
85.02948	1.0
89.02457	0.5
93.03458	59.7
94.03786	1.7
101.02438	1.0
111.71251	0.3
113.02425	0.7
114.98483	0.3
122.18240	0.3
129.44263	0.4
137.02443	100.0
138.02766	3.4
138.05586	5.3
154.99892	0.4
165.60544	0.3
194.44235	0.3
242.73387	0.4
284.03241	2.0
299.05325	1.1
299.07990	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1344
Annotation	Tehranolide
Peak:m/z	Relative Intensity
59.01372	1.4
64.12737	0.4
70.89307	0.7
70.89626	0.6
72.99303	8.9
75.00874	100.0
76.01207	0.7
83.21252	0.4
89.02457	0.5
103.69135	0.5
108.02193	0.9
123.04543	1.2
135.03004	1.6
135.04533	0.5
139.74219	0.5
161.09698	1.6
165.05510	0.5
165.09248	1.0
173.76166	0.4
174.15729	0.4
178.10059	0.5
179.03496	0.5
179.10751	2.6
206.09468	4.5
221.11830	8.4
221.14008	0.5
269.37784	0.5
297.13434	67.2
298.13779	4.1
308.83136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74565	0.3
57.12951	0.3
59.01365	0.5
66.31665	0.3
66.62109	0.3
68.46852	0.3
71.26461	0.5
79.95776	1.2
119.05064	0.9
159.35744	0.3
170.00490	1.4
183.01205	57.2
184.01762	2.4
185.12329	0.3
197.02739	1.1
198.03575	0.3
216.01012	0.8
225.05792	0.8
230.02654	0.3
230.36705	0.2
233.18979	0.3
239.07388	0.5
258.05765	0.3
259.30981	0.3
280.39182	0.3
283.20508	0.3
297.15286	100.0
298.15610	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	299.0548
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
56.03632	0.2
63.02398	1.9
63.20761	0.1
64.02753	0.1
65.00314	0.9
69.45840	1.0
69.46188	0.2
83.01380	1.5
95.01365	0.2
95.08530	0.1
107.01386	3.3
112.25210	0.1
117.91365	0.1
123.00858	0.2
124.76344	0.1
125.02479	0.2
132.02156	0.8
132.04485	0.2
133.02975	1.0
134.03735	1.9
135.00874	0.2
146.03648	0.2
148.01691	0.4
149.99571	0.6
150.99191	0.3
151.00377	4.3
155.13368	0.2
169.01443	0.4
172.05254	0.3
174.03214	0.2
183.04523	0.7
184.05229	0.2
186.03207	0.2
187.03984	0.7
188.04706	0.5
199.03979	0.7
200.04778	1.2
201.04996	0.2
211.04005	1.5
212.04768	0.6
214.02644	0.2
227.03477	3.2
228.04152	0.5
239.03481	0.7
240.04256	0.1
255.02945	2.2
256.03760	10.6
257.04150	0.7
267.03049	0.2
271.02405	0.3
283.02417	1.3
284.03247	100.0
285.03589	7.6
299.05591	75.4
300.02463	0.3
300.05954	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	297.119
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01885	1.5
59.01378	100.0
60.01735	1.0
60.22852	0.7
70.56331	1.6
71.01383	18.4
72.01701	0.9
73.02954	4.2
75.24058	0.9
83.01394	2.2
85.02959	8.3
87.00871	1.3
89.02438	18.0
94.94736	0.8
95.01381	1.4
99.00887	0.9
101.02441	15.0
102.02759	0.7
113.02454	7.3
119.03511	6.9
129.79614	0.8
135.06644	6.3
143.03555	1.3
159.02991	1.0
161.04565	12.6
179.05620	4.9
237.09790	24.2
238.10248	1.8
239.39484	0.7
297.11884	12.1
298.12442	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0768
Annotation	6,7-Dimethoxy-4'-hydroxyisoflavone
Peak:m/z	Relative Intensity
51.80658	0.5
59.01382	4.7
65.00307	1.2
71.01393	0.8
71.53125	0.7
75.39807	0.6
76.57422	0.5
87.78806	0.5
88.54040	0.6
91.01888	0.9
93.03465	1.0
101.02505	1.1
102.04710	0.7
102.08463	0.6
103.05522	2.4
108.02153	1.1
109.02930	0.7
117.02741	0.9
117.03469	7.5
121.02930	1.9
123.00832	1.3
123.99413	0.6
130.04245	14.4
131.05026	59.6
132.05379	2.3
135.00909	0.7
135.04584	0.7
136.01645	2.2
145.02954	35.2
146.03281	1.6
149.02486	0.5
149.99596	10.8
151.00330	1.6
153.01897	1.1
159.37465	0.5
161.02422	2.6
162.03214	2.7
163.04041	1.0
165.01913	4.8
169.01392	1.2
176.01123	1.8
177.01886	0.6
183.03000	4.6
186.44920	0.6
189.01926	4.5
197.06091	5.6
198.06886	3.3
201.05571	1.0
209.06126	1.6
210.06842	0.9
211.04021	3.9
212.04730	1.8
213.05360	0.7
225.05534	7.2
226.06346	14.9
227.06636	0.9
237.05598	2.6
238.06364	2.2
239.03500	3.6
253.04993	4.7
254.05884	4.1
263.03555	0.7
264.04388	0.7
265.05099	1.9
267.02945	1.0
281.04593	7.0
282.05319	48.6
283.05643	3.5
297.07675	100.0
297.24277	2.4
298.08029	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
62.79661	0.7
63.38593	0.8
67.49167	0.8
68.21827	0.7
83.36875	0.7
98.20673	1.8
100.84282	0.9
109.15625	0.7
117.03447	2.1
132.02177	1.9
138.20486	0.8
145.02959	25.5
146.03262	0.8
151.00420	0.8
161.02396	0.9
169.06519	0.9
170.07335	1.2
181.06598	3.7
182.07263	1.7
183.76221	0.8
193.06744	1.1
195.04408	1.0
197.06042	5.6
197.28073	0.8
198.06828	6.4
199.07414	0.7
209.06064	20.7
210.06851	30.1
211.04016	3.4
211.07156	2.5
213.09204	2.7
221.06058	3.1
223.03946	1.7
225.05577	3.6
225.09215	1.7
226.06342	11.4
229.08136	1.4
237.05553	14.5
238.06335	32.3
239.03502	3.4
239.06635	2.2
241.08743	1.7
253.04970	2.0
253.05653	1.3
253.08681	23.7
254.05882	3.2
254.08917	1.7
264.04257	2.0
269.08240	5.7
270.26740	1.0
279.06491	1.0
281.04553	1.4
282.05307	6.2
297.07672	100.0
298.07999	8.1
312.30765	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32198	0.4
55.01863	0.5
70.71272	0.8
76.07189	0.5
77.27388	0.5
89.18893	0.4
93.03458	1.4
95.01419	0.4
107.01365	0.5
117.03493	1.0
130.04254	0.9
132.02177	2.1
145.02959	21.1
146.03244	1.4
148.01688	0.7
151.00319	1.2
156.05844	0.7
161.02409	1.8
169.06541	0.8
170.07367	1.1
176.01157	0.6
181.06589	1.9
182.07338	1.9
184.05302	0.9
186.85280	0.4
189.01968	0.6
193.06566	1.3
195.04509	0.7
197.06107	5.0
198.06857	5.9
201.05435	0.7
208.05276	1.0
209.06084	16.0
210.06853	32.1
211.03970	2.1
211.07112	2.7
212.04643	1.0
213.05417	0.8
213.09230	2.1
221.06064	2.4
223.04010	1.4
225.05571	3.1
225.09175	1.2
226.06343	10.0
227.06773	0.8
236.04790	1.6
237.05537	13.4
238.06329	32.0
239.03502	1.9
239.06610	2.6
241.08684	2.0
252.07974	0.7
253.05046	1.8
253.08679	21.8
254.06065	2.9
254.09016	2.4
264.04276	1.8
265.05023	0.6
269.08142	5.3
270.08472	0.8
281.04538	1.6
282.05322	9.3
297.07666	100.0
298.07996	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	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.94258	0.5
57.03439	1.4
58.53116	0.5
59.01377	7.1
61.98839	0.7
67.54624	0.5
70.65058	1.3
70.65413	0.9
71.01391	1.0
73.52650	0.7
80.04762	0.5
99.08147	1.3
103.56907	0.5
113.09728	2.2
116.92825	0.5
136.49153	0.6
147.49364	0.6
177.12881	0.6
179.14366	1.3
183.13942	3.6
195.13907	25.8
196.14183	1.1
235.08138	0.7
245.78687	0.5
256.16724	0.5
277.21722	22.5
278.22061	1.8
282.61984	0.6
289.50156	0.6
295.22778	100.0
296.23083	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	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03436	0.7
59.01372	1.7
70.36543	0.8
76.36143	0.3
83.25970	0.2
84.00540	0.3
84.19716	0.2
97.06577	0.4
111.22937	0.2
113.09721	1.9
177.12849	0.4
179.14357	0.6
181.12320	0.4
195.13904	16.4
196.14189	0.8
228.13483	0.3
251.23727	0.4
257.55453	0.3
270.85696	0.3
277.21710	15.7
278.22128	1.5
280.04123	0.3
295.22772	100.0
296.23123	10.6
296.25739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01722	1.1
68.14282	0.5
71.00708	1.1
71.01382	4.0
78.82651	0.5
79.51371	0.5
83.05035	0.8
85.02938	1.2
89.02489	0.7
93.03470	1.6
97.02950	0.6
101.02448	1.7
113.02426	1.0
115.00372	2.4
119.05035	3.7
121.02972	0.8
130.04291	0.8
133.01453	5.6
133.02998	2.2
133.06618	0.8
135.04526	1.2
143.05049	1.2
145.06654	1.0
147.04460	0.6
149.06113	1.1
158.03778	0.6
161.04852	0.5
161.06039	2.7
163.04039	1.0
163.07657	2.2
167.68381	0.5
171.04520	0.7
173.06102	1.8
175.03983	1.2
175.11256	0.8
177.05666	0.6
188.08424	0.6
191.07135	5.8
203.10841	1.4
205.05061	6.9
205.12328	1.2
208.85179	0.5
223.16406	0.5
235.11909	2.7
294.97086	0.5
295.08417	0.6
295.12024	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	295.1186
Annotation	Amotin
Peak:m/z	Relative Intensity
51.16473	0.8
53.41140	0.7
54.46690	0.7
54.94280	0.8
57.03449	7.1
59.01376	14.8
61.98814	0.9
65.53452	0.7
67.55207	0.7
69.03455	2.7
71.01373	7.2
72.99295	1.0
83.01402	0.8
83.05024	27.1
85.02964	5.2
87.00870	2.3
87.90451	0.8
89.02446	4.3
93.03403	1.4
93.07111	1.0
95.05010	1.2
97.06574	2.2
99.04520	1.5
101.02466	3.3
107.05048	1.8
109.02924	1.4
111.04509	1.1
113.02463	1.5
115.00354	5.5
119.03468	0.9
119.05013	1.7
121.06608	7.3
121.10229	1.7
122.03724	4.8
125.06059	2.8
127.04020	6.2
132.97888	2.5
133.01427	15.7
133.06607	1.4
133.10223	5.9
135.04552	4.6
137.06085	4.6
145.06618	1.0
145.10217	2.4
147.08133	3.0
151.07655	1.2
157.06622	0.8
159.08136	3.8
160.08919	4.0
161.04630	0.8
161.06035	3.3
161.09689	1.1
163.07745	1.7
163.11279	30.3
164.11572	2.2
167.07185	1.6
168.07867	2.5
173.06018	1.0
173.09616	4.6
175.11269	75.5
176.11687	4.0
179.03497	1.2
187.11302	8.3
188.08412	2.9
191.03575	1.0
191.07112	2.2
193.12302	1.0
203.10776	3.9
205.12325	100.0
206.12660	6.4
207.06541	0.8
221.11812	2.1
223.13367	3.3
233.11804	2.8
251.12846	1.1
295.11859	48.8
296.12241	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	295.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
59.01374	3.6
60.99298	0.8
62.53410	0.4
67.01888	4.5
69.03443	0.9
69.66253	0.3
71.01379	3.4
81.03452	1.0
83.05009	0.7
85.02946	1.1
87.00879	0.6
93.03455	26.0
94.03798	0.8
98.20671	1.3
108.13897	0.3
109.02943	1.0
111.00885	1.1
111.04518	4.5
113.02411	0.6
121.02950	24.4
121.80676	0.3
122.03274	0.7
129.01949	0.4
133.01335	0.4
137.02451	5.2
150.00157	0.4
155.03511	4.8
165.07561	0.5
172.55455	0.4
173.04538	100.0
174.04903	3.1
205.08780	0.4
233.47971	0.4
251.07330	0.4
257.40546	0.5
295.08197	4.6
296.08643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0458
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
51.27172	0.8
54.34620	0.8
57.03420	1.0
59.01378	22.8
71.01380	13.6
72.99306	2.6
75.40710	0.8
76.29675	0.7
83.01384	1.0
83.05009	0.8
83.31542	0.7
85.02944	1.5
87.00901	1.6
89.02457	3.0
93.03446	1.3
96.01545	0.7
96.96016	2.7
98.67641	0.7
101.02435	0.9
104.85888	0.7
109.02966	3.1
111.00888	0.9
113.02431	1.0
115.00374	43.5
115.03986	2.0
116.00711	1.1
119.05018	1.4
121.02935	2.8
121.06608	0.8
125.02431	0.9
127.04030	0.9
129.01981	1.0
133.01431	100.0
133.06622	1.2
134.01773	1.7
134.03819	1.1
135.04535	10.5
137.06096	0.9
144.01241	0.8
149.04515	0.7
149.06117	0.9
161.04756	1.3
161.06050	9.2
161.09695	2.1
163.03993	2.3
179.03505	10.4
179.07129	1.4
183.10262	0.7
184.56548	0.9
185.09741	0.8
189.09303	1.3
203.10756	4.4
205.05115	1.3
207.06633	2.3
251.09293	2.7
265.10791	0.8
281.76379	0.9
295.08478	1.1
295.11563	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	295.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04914	0.3
54.48232	0.3
58.04790	0.3
59.01381	10.8
60.52201	0.3
69.67985	1.5
71.01399	0.6
83.05020	0.4
85.02953	0.4
93.03449	2.1
98.19994	0.6
101.02463	0.5
111.04508	1.3
119.05047	0.9
121.02955	100.0
122.03288	4.0
127.04000	0.4
132.05791	1.0
133.01448	1.0
133.06630	1.8
133.07515	0.5
141.00720	0.3
145.06580	0.7
155.03497	1.9
161.06070	10.0
161.07448	0.5
162.06444	0.7
163.03891	0.3
163.07623	1.0
169.93091	0.3
173.04568	2.0
173.05965	0.7
191.07118	2.3
205.05045	2.0
216.19298	0.3
235.06073	0.4
235.11818	0.4
295.08252	3.8
295.12994	0.9
304.64310	0.3
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	9(S)-HOTrE
Peak:m/z	Relative Intensity
59.01377	3.2
70.99663	2.9
82.19621	1.5
121.10235	37.6
171.10257	61.2
172.10573	2.4
185.11867	3.3
193.89833	1.5
197.11858	1.6
230.21399	1.6
231.21201	5.9
275.20157	100.0
276.20514	6.6
293.21225	60.7
294.21512	5.1
310.81049	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	293.2121
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
57.05513	0.8
61.20974	0.8
71.52406	0.7
93.67424	0.7
98.19920	1.7
148.97261	0.7
179.14426	1.4
195.13881	12.7
196.14561	1.5
205.12259	1.2
205.15950	1.2
206.99359	0.8
223.13383	10.9
224.13773	0.8
225.40271	0.8
228.13640	1.6
231.21141	1.0
256.13120	5.3
265.21686	0.9
275.20074	8.0
293.21225	100.0
294.21585	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.9
59.01366	2.4
71.27933	1.2
74.05667	0.5
97.06584	0.6
109.06571	0.7
113.09728	20.2
121.10226	0.8
139.11288	2.3
167.10771	2.1
171.10233	1.9
177.12920	1.1
179.10748	1.7
195.13951	3.3
197.97733	0.6
221.15533	0.8
249.22191	2.0
275.20172	2.3
293.21219	100.0
294.21558	8.4
313.77521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98466	0.5
52.20731	0.5
54.62519	0.5
55.01883	1.2
57.03437	0.9
58.00595	1.4
59.01378	41.0
66.49748	0.5
71.01380	18.8
71.25159	1.1
72.99313	1.9
73.02948	1.0
82.86559	0.6
83.01364	1.3
84.02177	0.8
84.47079	0.6
85.02950	12.6
85.06591	14.4
86.06985	0.5
87.00865	1.8
87.16749	0.5
89.02444	22.2
95.01395	1.4
101.02438	13.7
113.02436	7.5
113.03180	0.8
113.06078	4.5
115.07629	1.8
116.29785	0.5
117.03428	0.6
119.03502	8.4
122.24762	0.5
125.02383	0.6
127.07634	1.5
131.07138	56.2
132.07463	1.4
132.21271	0.6
137.02330	0.5
145.02946	3.5
147.02966	3.7
161.04446	0.7
173.08142	2.1
179.05617	1.0
181.44287	0.6
185.08237	0.6
293.12415	100.0
294.12769	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	293.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
64.63329	0.3
69.73055	1.0
69.73464	0.8
71.01385	7.7
74.71339	0.3
121.41973	0.3
127.07657	0.6
148.05290	0.6
150.93239	0.3
151.07596	0.4
164.08415	1.4
166.76639	0.3
177.09221	4.4
185.69383	0.3
190.09985	0.4
192.11562	6.9
205.12332	6.7
206.12735	0.4
207.13875	1.3
217.08524	0.4
218.09531	1.9
220.14690	46.9
221.15462	100.0
222.15805	6.5
235.13463	1.0
236.10536	71.6
237.01292	0.3
237.10936	5.5
293.17603	11.5
293.20999	0.7
294.18002	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.4
58.00587	3.9
59.01379	100.0
61.70258	1.3
61.98816	1.4
69.53313	2.4
69.53714	8.6
71.01380	60.0
72.99310	3.9
73.02924	2.3
83.01385	3.1
85.02949	14.0
87.00899	9.4
87.04498	3.4
89.02445	85.3
90.02778	2.0
95.01379	3.8
101.02442	32.3
113.02447	28.3
119.03503	32.4
119.04961	1.7
131.03537	10.6
131.07155	2.2
133.06583	1.6
137.02481	2.4
143.03542	4.0
147.02968	2.4
149.04633	2.1
161.04506	4.6
167.03493	2.1
179.05600	18.3
187.03995	2.4
187.07765	2.2
203.07133	2.2
205.05029	1.9
217.45863	1.5
233.06596	2.9
249.07565	2.7
278.17624	1.6
293.12360	15.7
307.13867	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	293.0878
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.31247	1.6
57.03433	1.7
58.00581	4.0
59.01379	100.0
61.98818	1.5
63.90981	1.2
69.13380	6.8
69.13802	7.5
71.01379	61.8
72.99296	4.7
73.02952	2.0
83.01380	2.5
85.02955	14.2
87.00878	7.4
87.04496	6.0
89.02444	87.7
92.32558	1.3
93.03395	1.5
95.01365	3.5
99.04434	1.7
101.01799	2.0
101.02441	27.5
103.92045	1.3
112.72103	1.5
113.01721	2.3
113.02449	26.6
119.03502	33.8
119.04931	2.0
130.03770	1.3
131.03484	13.3
131.07069	2.9
143.03461	5.9
149.04556	1.9
161.04567	7.7
161.05743	1.3
179.05612	20.6
187.07529	1.6
205.05005	3.6
233.06641	2.3
293.12393	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	292.1917
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
51.07287	0.6
55.12992	0.6
59.01380	2.9
61.98834	0.8
71.01380	1.3
93.90521	0.6
99.92561	0.7
101.77421	0.5
107.21830	0.6
112.98500	0.6
115.92042	0.8
156.13930	100.0
157.14258	3.8
181.87173	0.6
200.12979	5.6
220.14722	3.5
221.15462	6.5
236.10558	5.5
264.47018	0.6
292.19589	1.8
293.17502	2.5
293.21085	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	293.0669
Annotation	Cyclic dehypoxanthine futalosine
Peak:m/z	Relative Intensity
57.03450	17.8
58.25949	2.4
59.01376	26.4
59.24168	2.2
59.42780	2.5
60.55064	2.4
65.03951	7.1
67.01894	3.5
69.03408	5.2
69.39670	6.5
69.40086	13.5
71.01379	18.3
72.80513	3.0
72.99301	4.9
81.03455	14.5
82.71018	2.5
83.01379	27.4
83.05015	6.9
83.11749	2.5
85.02953	42.2
87.00873	29.1
89.02431	13.9
91.05487	4.8
93.03426	7.1
95.01350	4.3
95.05034	5.4
97.02921	5.6
98.19870	4.6
98.27162	2.7
99.04514	5.6
101.02451	6.7
107.05017	22.4
109.02921	8.5
111.00862	9.2
113.02418	9.9
117.03436	6.1
119.03436	4.7
119.05025	19.9
121.06571	11.4
123.04491	5.4
125.02447	100.0
129.01910	7.7
133.06514	8.4
135.08148	7.7
137.01459	4.7
137.02434	55.2
138.03258	12.5
139.04019	3.0
143.05022	4.9
143.08609	6.5
145.02940	25.2
145.06549	9.1
146.03214	3.5
147.02968	23.4
147.04507	14.1
149.02397	6.4
150.03188	4.5
151.00342	5.1
151.04005	31.9
157.01427	4.9
158.85092	3.0
159.04437	5.9
159.08125	8.0
161.02480	4.3
161.04512	3.0
161.06001	10.0
163.04036	14.3
163.07574	9.4
164.07143	4.7
166.02702	5.7
167.02165	4.9
167.03479	64.1
173.05952	5.1
175.07539	6.2
177.05583	8.5
179.05568	7.4
179.07088	3.3
187.03920	9.3
187.07603	15.7
188.04688	9.3
190.02675	3.0
191.03490	31.9
203.03510	33.4
203.07118	43.8
205.05032	21.6
205.08626	9.0
207.06618	2.8
213.05487	4.8
221.08168	55.5
231.06616	51.4
247.06006	14.3
249.07770	6.1
257.41245	2.7
275.05493	9.3
293.06589	99.7
293.09659	6.0
294.06958	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	292.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00763	0.6
58.04231	0.8
59.01375	5.6
60.99263	0.6
69.86159	2.2
69.86554	1.0
71.01366	4.2
80.44789	0.6
82.02985	1.0
83.01420	0.9
85.02954	2.7
85.06612	1.0
87.00873	3.2
87.26061	0.6
88.41630	0.6
89.02441	3.1
92.03773	0.7
93.03467	1.4
96.95985	0.7
97.06576	1.2
98.06940	0.8
100.04092	0.9
101.02448	1.1
102.05611	34.7
106.15257	0.6
109.02937	0.8
110.03278	0.7
113.02435	1.6
117.03458	6.3
119.05026	71.3
120.05354	2.7
123.04556	0.8
128.03542	44.5
129.02005	0.7
129.03864	1.1
131.07152	3.9
133.06572	0.7
137.02438	1.2
145.01772	0.7
145.02951	30.6
146.04588	100.0
147.04837	2.0
159.06599	2.5
160.06987	2.3
163.03993	13.5
172.02477	1.8
174.05505	0.7
202.08752	5.2
204.10245	1.7
216.03578	0.7
230.08194	1.9
248.09215	4.6
274.07199	8.0
280.23102	0.7
292.08249	34.1
292.11145	1.8
293.09006	1.5
293.12393	7.2
294.85214	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0858
Annotation	TRIADIMEFON
Peak:m/z	Relative Intensity
58.92994	0.4
59.01381	1.4
59.58791	0.5
61.98840	0.7
68.02536	100.0
68.49131	0.5
69.02861	0.8
69.15520	0.4
77.03406	0.4
86.96721	0.4
88.14087	0.5
89.72035	0.4
93.17622	0.5
94.78338	0.5
112.98576	1.0
126.99577	3.0
129.95253	0.4
152.08319	1.3
220.14767	1.3
221.15419	2.2
233.54073	0.4
234.00867	0.6
236.10602	1.9
270.98898	0.4
292.08777	0.9
292.20178	0.8
293.17776	0.6
293.21283	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
59.01372	0.8
61.98824	3.3
70.36504	1.1
70.36900	1.3
71.01288	0.7
73.02944	47.7
76.14214	0.7
85.02962	0.7
115.92059	1.7
116.92837	1.1
119.05077	0.7
130.51903	0.7
144.81857	0.7
145.02943	1.6
204.99074	0.7
227.17375	0.8
291.19647	100.0
292.19977	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	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01370	0.4
66.28538	0.3
69.03463	0.6
70.74184	1.1
76.11583	0.3
83.05057	0.4
83.12666	0.3
93.07103	1.3
97.06573	2.4
108.35946	0.4
111.08167	0.5
119.05024	0.4
121.10237	13.8
122.10579	0.7
123.08158	1.3
125.09706	7.2
141.12820	1.0
142.22331	0.4
145.02962	0.5
147.08163	0.8
152.48390	0.3
163.11310	0.4
175.39021	0.3
185.11832	12.8
185.13490	0.6
186.12196	0.6
197.11885	3.3
209.11801	1.0
211.13452	1.7
223.13312	0.7
247.13321	0.9
247.20665	1.4
265.42322	0.3
273.18561	1.7
291.19650	100.0
292.19968	9.6
300.06091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46414	1.0
57.03445	1.8
57.59360	1.0
58.99584	1.7
59.01368	3.5
71.01376	1.6
71.30826	0.9
85.02953	3.7
85.13280	1.1
87.00875	16.6
97.06588	3.4
102.98586	3.1
108.04569	1.1
117.03452	4.1
119.05032	6.4
120.99655	83.4
125.02450	12.3
125.44401	1.2
145.02959	21.6
146.96870	1.0
159.06627	2.7
159.08501	5.6
161.24754	0.9
163.04005	4.6
166.06577	1.5
167.06973	10.7
169.08629	2.6
173.59354	1.0
179.17720	1.0
183.06461	2.3
185.08002	4.2
203.07465	36.2
204.07872	2.0
210.15086	1.1
228.06808	1.1
229.07043	3.5
291.09055	100.0
292.09213	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	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01381	1.0
61.98816	0.7
62.88608	0.3
70.74342	0.7
78.73029	0.3
95.05014	0.4
97.06580	0.5
100.67231	0.3
119.05030	0.8
121.70148	0.4
141.40289	0.3
145.01854	0.3
145.02963	0.6
148.08966	1.6
149.09645	0.5
150.10506	0.6
151.11307	0.8
163.11255	1.1
165.12846	19.4
166.13225	0.8
175.11211	0.7
179.14374	0.4
191.14452	0.7
217.16037	0.4
228.46378	0.4
245.19185	0.3
247.20670	10.8
248.20976	0.6
267.76898	0.3
273.18604	6.1
277.49454	0.3
291.19662	100.0
292.20047	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	290.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09296	1.5
54.33817	1.3
55.95634	1.2
60.93774	1.1
61.98832	100.0
76.80183	1.2
79.22285	1.1
83.40276	1.1
99.04932	1.1
109.46398	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49992	0.9
61.98832	100.0
68.02415	0.7
71.53265	0.7
91.66956	0.7
112.79277	0.7
116.82129	0.8
133.63052	0.7
153.65027	0.9
166.06622	1.2
228.06664	1.6
290.07315	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	291.0875
Annotation	Didemnimide E
Peak:m/z	Relative Intensity
51.42319	0.4
59.01385	1.4
63.90832	0.3
63.95435	0.3
71.11108	0.8
71.11465	0.5
81.03458	0.5
85.02950	11.3
87.00864	2.4
97.06592	1.2
98.33425	0.3
109.02971	0.3
115.07664	0.4
115.37062	0.4
117.03460	19.9
118.03793	0.6
119.05030	23.4
120.05373	0.6
120.99657	0.4
122.86172	0.4
127.04004	1.7
145.02951	100.0
146.03300	3.6
159.04602	0.4
159.06621	1.6
161.06047	0.5
163.04002	18.8
164.04381	1.2
167.06876	0.3
187.04021	2.3
291.08725	34.0
292.09000	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	289.181
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.65649	1.2
57.03462	12.6
59.01381	31.9
61.98830	2.2
70.07208	3.9
70.07624	2.9
83.05022	1.4
95.21563	1.2
97.06593	3.2
107.47475	1.1
109.36074	1.1
109.57399	1.3
112.98785	2.3
146.32149	1.4
162.17566	1.2
175.07559	1.5
175.14941	7.0
201.12781	1.3
227.18188	1.5
229.15930	1.4
245.19231	2.2
271.17035	9.9
289.07257	2.1
289.18100	100.0
290.18524	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	290.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15435	0.6
59.01386	1.4
68.11528	0.7
69.74136	1.3
69.74527	1.9
71.01385	0.7
71.96620	0.7
73.93623	0.6
87.00888	1.6
90.24106	0.7
98.20651	0.8
116.05080	4.7
130.06607	1.5
142.06619	7.9
144.04524	2.5
144.08228	1.1
154.06645	11.5
156.04501	1.6
156.08189	10.1
158.06155	1.0
166.06619	100.0
167.06964	5.9
168.04518	1.6
168.74112	0.8
169.05345	0.9
170.06082	4.0
178.37527	0.7
180.04547	3.6
181.05318	6.1
182.06100	35.5
183.06523	2.0
184.07666	42.4
185.07985	3.0
198.05576	2.4
200.07211	1.1
208.04071	1.1
208.50946	0.7
209.82742	0.8
210.05594	52.3
211.05893	3.7
226.05113	6.4
228.06653	80.1
229.07016	5.2
243.05333	1.6
246.07655	5.6
254.04724	1.1
270.43109	0.8
272.05643	3.9
290.06711	52.0
291.06955	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	289.0718
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03455	4.6
59.01366	1.2
69.03437	1.5
70.68136	2.3
81.03445	4.3
83.00938	0.8
83.01366	5.2
93.03468	3.5
95.01366	1.1
95.05016	6.3
97.02941	11.9
108.02177	1.3
109.02948	45.3
110.03284	1.7
121.02939	5.1
122.03753	3.2
123.04520	31.8
124.04826	0.9
125.02448	26.8
133.63467	0.8
135.04506	2.9
137.02446	15.3
138.03198	1.0
139.04016	6.7
145.02927	2.7
146.03729	1.0
149.02417	6.3
150.03189	2.3
151.03999	14.0
151.63170	1.0
159.04466	4.3
160.05293	2.2
160.15385	0.8
161.02478	1.3
161.06079	7.3
162.03203	2.1
163.03983	1.9
164.01167	5.5
165.01909	6.3
166.02678	1.2
166.06596	3.3
167.03503	2.8
173.06084	2.1
175.03996	2.5
175.07614	3.5
179.03461	9.7
182.06020	1.0
187.03995	8.8
188.04782	5.6
199.07619	1.6
202.06317	3.4
203.07137	18.2
205.05043	12.1
212.04745	1.1
221.08195	5.8
227.07065	2.3
230.05728	1.4
231.43274	0.8
245.08174	30.2
246.08289	1.9
247.06065	1.8
271.06152	1.2
289.07169	100.0
290.07480	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	289.0716
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
50.02991	0.6
57.03449	3.7
69.03463	1.0
69.74893	3.3
81.03455	3.7
83.01380	3.7
83.74342	0.6
87.21683	0.6
93.03452	1.5
95.01382	0.7
95.05023	5.3
97.02954	10.2
99.04560	0.7
108.02170	1.5
109.02948	34.2
121.02989	3.9
122.03738	2.4
123.04527	22.8
124.22068	0.7
125.02444	23.8
133.03021	0.8
135.04527	1.9
137.02443	13.5
138.03181	1.0
139.04002	5.1
145.02959	2.0
146.03716	1.6
147.04523	0.6
149.02451	4.8
150.03198	1.6
151.03992	12.6
159.04501	3.2
160.05280	2.5
161.02449	1.2
161.06100	5.1
162.03200	1.8
163.03979	1.4
164.01161	4.4
165.01924	4.4
166.02734	0.7
167.03511	2.2
173.06058	1.6
174.03258	0.7
174.06966	0.6
175.04019	2.7
175.07587	1.8
177.05504	1.0
179.03494	9.1
185.06096	1.9
187.04001	6.6
188.04742	5.7
199.07671	0.9
202.06352	2.5
203.07141	17.4
205.05057	10.7
217.04961	0.8
217.08670	0.9
221.08226	5.2
227.07100	2.3
230.05917	0.7
231.02937	0.9
245.08173	28.3
246.08650	1.1
247.06129	1.9
262.16626	0.7
271.06070	1.7
286.23129	0.6
289.07178	100.0
290.07504	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	289.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.2
57.24820	0.7
62.78822	0.8
62.92080	0.7
64.53201	0.7
69.03458	1.5
69.19027	3.3
69.19447	2.6
81.03465	4.6
83.01388	4.5
89.23370	0.7
93.03465	2.3
95.01402	1.7
95.05029	5.5
97.02959	9.2
99.04534	0.9
105.03462	0.8
107.05022	0.7
108.02205	0.9
109.02953	39.8
110.03293	1.0
121.02944	5.9
122.03731	2.3
123.03623	1.4
123.04525	27.4
124.04846	0.9
125.02454	27.0
135.04509	2.6
137.02444	14.1
138.03177	1.2
139.03999	5.3
145.02921	1.6
146.03737	2.0
149.02444	6.6
150.03242	1.3
151.02879	1.2
151.04001	13.1
159.04562	4.1
160.05272	2.3
161.02415	1.5
161.06081	7.2
162.03235	2.4
163.04022	1.8
164.01167	4.9
165.01906	4.2
166.02585	1.1
167.03485	2.4
173.06024	1.5
174.89749	0.6
175.04062	1.9
175.07629	3.1
177.05476	1.3
179.03497	9.8
185.06088	1.0
187.04018	7.5
188.04765	6.2
201.05420	1.0
202.06401	3.1
203.07140	17.2
204.07474	1.3
205.05072	11.1
208.17236	0.7
212.04785	1.4
217.05095	0.9
217.08661	1.2
221.08185	5.9
227.07141	2.5
230.05809	1.2
231.02893	0.9
245.08182	31.1
246.08560	2.2
247.06090	1.6
271.06226	1.8
289.07178	100.0
290.07559	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2018
Annotation	trans-Dehydroandrosterone
Peak:m/z	Relative Intensity
55.15339	0.5
56.15138	0.5
59.01379	40.8
59.98522	1.3
60.01718	0.5
61.98817	0.9
62.53122	0.4
69.83097	2.2
77.12166	0.5
77.31299	0.4
95.05014	0.5
95.08654	1.0
116.92875	0.6
121.06575	0.7
133.10228	0.8
135.11763	0.6
139.07661	1.0
151.07681	0.8
175.14894	1.5
185.20511	0.5
186.10446	0.7
189.12804	0.7
200.12047	0.5
201.12927	3.1
201.71512	0.5
202.21962	0.5
219.13774	0.5
243.21135	1.1
269.19095	14.7
270.19470	1.2
272.99957	0.6
287.20157	100.0
288.20483	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	287.2018
Annotation	Cespitularin E
Peak:m/z	Relative Intensity
50.16008	2.1
52.95059	2.2
59.01368	10.5
61.98820	4.8
71.01363	8.5
71.52932	3.4
73.02946	4.6
81.77364	2.3
83.01408	2.1
89.14201	2.2
90.15365	2.1
94.13787	2.2
95.04978	3.3
99.92570	3.3
107.04979	4.3
109.06596	14.4
111.08124	8.9
116.92841	2.7
117.07074	9.3
117.10072	2.3
121.06600	38.6
123.08139	5.2
133.06535	4.1
135.08163	3.9
135.11751	4.1
137.06053	3.5
139.07654	100.0
151.07645	25.3
153.09251	20.0
241.15550	2.6
257.19019	6.0
269.19107	5.3
287.04599	3.9
287.16504	10.1
287.20062	93.6
288.20422	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	287.1501
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
57.03442	2.1
59.01380	91.8
67.48853	0.7
69.77335	2.6
69.77748	1.2
85.07115	0.7
87.00870	2.9
97.06627	1.2
98.20559	1.4
99.04535	1.9
103.00397	1.2
111.00894	1.1
144.40475	0.7
165.01952	0.8
165.12849	2.2
173.04604	1.3
183.13893	0.9
191.05585	0.8
201.04385	0.7
202.68181	0.8
207.13916	3.1
209.11790	7.4
225.14941	6.2
227.12874	51.8
228.13223	3.1
251.12953	1.8
269.13907	14.8
270.14258	1.6
279.18155	0.8
285.53448	0.8
287.14987	100.0
288.15381	6.6
295.93976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2018
Annotation	Cespitularin E
Peak:m/z	Relative Intensity
59.01369	2.4
59.07524	0.6
59.53653	0.7
71.01373	2.6
73.02940	2.3
81.03442	0.9
81.07106	1.1
83.05003	0.9
87.04497	1.4
93.07097	0.8
95.05006	1.1
101.06064	1.2
107.05023	5.3
109.06600	9.2
110.57120	0.7
111.08164	6.5
121.06596	22.2
122.03773	0.7
122.06899	0.9
123.08157	8.8
125.09701	1.2
133.06609	8.5
133.10242	0.9
135.08150	4.6
135.11790	8.0
136.05255	2.2
137.06117	3.2
138.82695	0.7
139.07648	48.8
140.07959	1.5
151.07646	46.1
152.08043	1.9
153.09216	28.7
153.10150	0.6
154.06396	1.1
154.09575	1.1
187.04178	0.7
191.10812	0.8
197.07228	0.7
203.93259	0.7
229.00945	0.8
255.17606	0.8
257.19159	2.4
259.20529	1.1
269.19009	3.7
287.20154	100.0
288.20517	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	287.0562
Annotation	(2S)-5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
57.03447	14.0
59.01376	2.3
63.02396	4.5
65.00320	6.9
69.03480	0.6
69.69942	2.5
81.03452	3.5
83.01384	10.9
83.09069	0.5
87.00863	1.2
93.03452	3.2
95.01386	1.3
98.19961	0.5
107.01391	7.3
107.05038	1.2
109.02956	2.4
111.00880	1.3
117.03477	0.7
121.02936	1.5
123.00916	0.6
123.04524	1.8
124.01678	2.4
125.02444	100.0
126.02792	2.3
130.04262	0.8
131.05014	1.7
133.02956	3.6
134.03726	1.3
135.04535	2.1
137.02399	1.6
145.02951	0.7
145.06577	0.9
149.06111	0.7
151.00357	15.6
152.01154	10.7
152.02359	0.6
153.01929	3.4
156.05792	0.9
157.06598	2.8
158.03737	0.8
159.04507	1.4
165.01884	1.6
169.06676	0.5
171.22751	0.5
172.05316	1.9
173.04594	1.0
173.06027	5.1
176.01187	0.7
177.05557	17.0
178.05859	0.7
178.99838	7.4
191.05550	1.0
199.04005	0.7
199.07721	2.7
200.04762	0.8
201.05565	9.7
202.05838	0.8
203.03455	1.2
211.92113	0.5
213.05504	2.3
215.07123	5.4
219.06628	1.7
221.09268	1.3
225.05615	0.6
229.58035	0.5
241.05006	1.5
243.06596	12.9
244.07022	0.5
255.17151	0.5
259.06091	71.0
260.06375	4.9
269.04608	3.7
287.05606	59.4
287.09012	0.8
287.14655	0.9
288.05859	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	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01376	1.2
60.22047	0.4
61.98830	1.4
65.87395	0.4
70.02991	0.9
71.52558	0.4
74.06116	1.8
92.06626	0.5
118.05121	1.3
133.02977	1.0
134.03284	0.8
151.00383	0.5
223.29051	0.5
240.23364	3.3
242.21301	1.7
244.16531	0.5
268.22879	0.6
286.04376	6.5
286.23880	100.0
287.04913	0.5
287.24268	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0562
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
57.03424	0.4
61.04863	0.3
63.02400	2.3
63.11386	0.3
65.00325	12.3
69.77030	1.3
71.42036	0.2
83.00923	0.5
83.01386	6.5
87.00893	0.3
93.03400	0.4
107.01391	15.6
107.05022	0.7
108.01723	0.5
109.02948	2.1
125.01527	0.4
125.02445	6.6
133.02950	0.8
134.03796	1.8
135.04523	100.0
136.04828	3.5
137.02460	1.4
149.02441	0.6
151.00365	87.8
152.00720	3.2
159.04601	0.4
161.02461	1.2
165.01944	1.0
169.01428	0.8
173.06027	0.4
175.04031	0.4
177.01970	0.7
183.91641	0.2
201.05600	0.6
243.06703	0.4
259.06052	0.3
269.04660	0.7
287.05569	18.2
288.06021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0616
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
69.96231	0.4
70.66596	1.4
78.95901	1.0
79.01920	0.4
81.03444	0.8
96.42959	0.5
96.96957	2.6
108.02171	100.0
108.51463	0.4
109.03002	14.1
118.22475	0.4
119.05061	2.6
120.99642	4.0
123.04483	0.8
124.00854	0.4
133.02951	1.0
135.00880	0.7
147.07686	0.5
151.03996	1.6
152.01149	67.7
152.72559	0.4
153.01939	30.7
154.02289	1.0
159.41849	0.4
160.51820	0.4
163.03998	1.3
165.01907	0.6
179.03488	0.5
217.05115	0.6
285.06161	67.3
286.06479	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	285.0768
Annotation	Calythropsin
Peak:m/z	Relative Intensity
51.85178	0.1
59.01379	0.6
61.98834	0.2
65.00323	0.2
70.68874	0.1
71.87720	0.1
72.92309	0.1
78.95913	0.2
81.32754	0.1
98.20688	0.2
103.10330	0.1
107.01396	0.3
107.05009	0.6
117.03459	0.2
133.02959	1.4
134.03757	1.6
135.04524	100.0
136.04852	3.6
149.02440	0.3
151.00369	0.3
175.03984	0.3
180.00697	0.2
224.04848	0.1
235.04253	0.1
243.16071	0.4
252.04364	0.2
267.06570	1.2
269.04471	0.1
270.05209	0.2
284.26776	0.2
285.04141	5.4
285.07724	23.7
285.20660	0.3
286.04480	0.3
286.07962	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	285.0768
Annotation	4-O-Methylbutein
Peak:m/z	Relative Intensity
59.01374	2.6
61.98825	1.1
63.02402	0.6
63.96241	0.4
65.00334	1.2
67.12019	0.4
70.64320	0.4
70.64646	1.2
73.94520	0.5
78.95904	24.3
83.01381	0.6
91.01894	26.6
92.02234	0.5
95.01387	1.7
106.18428	0.5
107.01401	1.9
108.02176	6.6
109.02991	0.7
113.39277	0.4
121.02968	0.8
133.02953	11.0
133.03906	0.7
134.03743	72.1
135.00885	38.9
135.01955	1.0
135.04170	1.8
136.01212	1.0
145.87492	0.4
148.01660	16.6
149.02516	2.5
149.06079	30.9
150.06418	1.2
151.00386	2.8
153.01929	15.1
161.02443	1.3
171.04498	0.7
175.03987	2.3
180.00641	19.2
198.03111	0.8
199.04013	2.5
201.01920	1.5
213.05615	0.5
215.03552	0.9
217.05054	1.2
225.15028	0.5
226.06404	1.3
227.03497	1.5
241.05083	1.7
242.05742	0.7
243.06694	0.8
243.16064	1.3
253.05023	1.2
259.81836	0.4
269.04495	6.3
270.05304	13.3
271.05780	1.0
284.26849	1.5
285.04123	45.9
285.07721	100.0
285.12775	3.2
285.26996	0.9
286.04453	3.4
286.08060	8.0
301.91736	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0404
Annotation	Luteolin
Peak:m/z	Relative Intensity
63.02395	0.9
65.00327	2.1
69.44459	1.0
71.13955	0.1
83.01376	1.4
98.19788	0.2
105.03436	0.6
105.06573	0.2
107.01393	3.5
109.02982	0.2
115.48218	0.1
118.14096	0.1
119.62932	0.1
121.02966	0.9
132.02177	0.3
133.02956	21.9
134.03214	0.8
140.36732	0.1
143.04965	0.3
147.04543	0.2
149.02428	3.0
151.00369	7.3
155.05084	0.2
157.06590	0.2
163.51372	0.1
169.06619	0.4
171.04510	0.5
173.02496	0.2
173.06065	0.1
174.03270	0.1
175.04005	4.3
177.01913	0.3
183.04671	0.2
185.06067	0.5
187.03999	0.2
197.06075	0.4
198.03207	0.6
199.03995	3.5
200.04314	0.2
201.01915	1.6
211.04051	0.3
213.05566	0.6
215.03560	0.6
217.05037	2.1
222.85745	0.1
223.03983	0.4
226.02815	0.2
229.05046	0.3
239.03584	0.2
240.04216	0.2
241.05011	1.5
242.02405	0.2
243.02966	0.9
257.04492	0.7
267.03009	0.4
285.04031	100.0
286.04388	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	285.0399
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.24361	0.1
52.68675	0.1
63.02398	2.5
65.00320	2.4
75.41602	0.1
75.70033	0.1
81.03462	0.2
83.01396	1.3
93.03435	0.2
94.21044	0.1
102.41929	0.2
105.03438	0.9
107.01395	4.1
109.02937	1.2
114.05064	0.1
121.02961	1.3
132.02177	0.4
133.02954	21.2
134.03316	1.2
135.00902	0.1
135.04482	0.2
139.42633	0.1
143.05016	0.3
145.02968	0.2
147.04543	0.3
149.02429	3.6
151.00363	7.3
151.04015	0.2
152.00668	0.3
157.02914	0.2
157.06662	0.1
167.04956	0.2
169.06665	0.4
171.04494	0.7
173.02420	0.3
173.06139	0.2
174.03282	0.3
175.03995	4.3
176.04413	0.2
177.01964	0.4
183.04449	0.2
185.06114	0.7
187.04001	0.2
189.05566	0.2
195.04433	0.2
197.06094	0.7
198.03154	0.7
199.04021	3.8
200.04257	0.2
200.71701	0.1
201.01967	1.2
211.04007	0.3
212.04807	0.1
213.05571	0.9
214.02660	0.2
215.03609	0.7
217.05060	2.2
223.04042	0.4
224.04874	0.2
229.05058	0.5
233.77080	0.1
239.03448	0.5
240.04329	0.2
241.05080	1.3
242.02213	0.3
243.02986	0.9
256.03836	0.2
257.04620	0.7
267.02930	0.4
268.03659	0.2
284.03241	0.3
285.04034	100.0
286.04382	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	283.1703
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
56.74913	0.4
59.01375	1.6
61.98818	0.6
71.08889	0.6
71.09212	0.6
84.27418	0.4
92.38018	0.4
107.05031	100.0
108.05367	3.3
112.05238	0.4
121.16936	0.4
132.15633	0.4
163.11287	95.7
164.11600	4.5
241.14336	0.5
251.05800	0.5
268.03842	1.7
283.17029	92.0
283.26364	28.2
284.17358	8.8
284.26675	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	284.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29008	0.1
59.01379	0.2
60.76841	0.1
63.02398	4.8
65.00323	2.3
70.71275	0.3
70.71578	0.2
81.08453	0.1
83.01379	3.1
95.01408	0.2
99.81149	0.2
107.01387	5.0
108.02191	0.2
123.00862	0.4
124.01683	0.2
125.02402	0.2
132.02176	0.7
133.02924	1.6
134.03761	1.5
135.01015	0.2
146.03716	0.4
148.01659	0.6
149.02391	0.2
149.99564	0.5
151.00362	5.0
151.28232	0.1
152.01050	0.2
155.05133	0.2
158.03671	0.2
167.05008	0.2
169.01401	0.3
171.04520	0.3
172.05283	0.4
174.03160	0.2
183.04500	1.5
184.05165	0.3
186.03239	0.2
187.03992	0.7
188.04729	0.5
195.04512	0.3
197.02414	0.2
198.03233	0.2
199.04005	1.1
200.04831	1.0
211.03989	1.8
212.04669	0.4
214.02657	0.2
215.03500	0.2
216.04205	0.2
227.03487	4.6
228.04047	0.5
239.03497	0.8
255.02956	2.5
256.03748	10.6
257.04028	0.6
267.03064	0.2
283.02600	1.1
283.26465	1.5
284.03241	100.0
284.26703	0.5
285.03616	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	283.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14640	0.4
59.01138	0.3
59.01383	3.1
61.98838	0.4
65.03973	0.4
65.79575	0.3
68.05595	0.3
71.23132	0.7
74.30130	0.3
79.95744	1.3
80.02663	1.0
86.10860	0.4
87.38001	0.3
89.97115	0.3
91.01894	0.6
106.04291	0.4
107.01372	1.0
108.02175	12.4
109.02961	6.9
110.03362	0.3
110.82727	0.3
112.98576	0.8
116.02670	0.5
117.03462	5.4
119.05038	0.7
121.02950	1.2
123.00901	0.3
124.01641	0.6
130.04283	0.4
132.02142	0.7
132.05791	1.5
133.02988	0.6
133.06586	1.9
134.03737	1.4
135.00874	2.4
136.01674	3.0
138.89345	0.4
145.02963	0.7
149.02452	2.1
151.00417	0.3
153.01927	0.8
158.03729	3.0
159.04521	3.2
160.01614	0.4
161.02435	8.3
162.03149	1.2
169.01404	0.6
175.03975	0.8
180.05667	0.3
181.06506	0.7
185.06194	0.6
193.06555	0.7
194.02296	0.4
195.04543	0.4
197.06097	1.6
206.07169	0.4
207.07980	0.8
208.05309	1.8
209.05998	3.5
211.03995	1.4
221.06067	1.5
222.06801	1.2
223.07680	0.5
224.04858	0.7
225.05524	6.3
227.07101	1.9
236.04761	2.3
237.05525	4.1
239.07094	1.0
240.07774	0.4
241.14670	0.9
249.05556	1.0
250.06351	1.1
251.04485	0.4
251.07117	8.2
252.04320	5.4
252.07306	0.6
253.05048	41.0
254.03403	0.3
254.05429	3.1
255.03081	0.7
267.06598	9.6
268.03839	1.8
268.07367	13.7
269.07755	1.0
283.09750	100.0
283.26404	32.3
284.03174	0.6
284.10037	8.4
284.26834	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47606	0.4
53.16432	0.4
53.95948	0.3
59.01379	3.5
60.28479	0.3
61.98827	0.7
63.38046	0.3
69.16051	1.2
69.16465	2.4
71.01379	0.4
73.26572	0.3
91.01885	6.1
91.43950	0.3
93.03413	0.5
95.01352	0.4
106.04252	2.0
108.02173	15.9
113.65997	0.3
121.02997	1.8
134.03740	7.6
135.00882	4.7
138.03194	0.5
147.17867	0.4
153.01976	1.7
161.02441	39.6
162.03227	35.1
163.03529	0.9
177.01880	0.6
177.05580	0.8
194.02193	6.6
195.13948	0.5
240.04216	0.4
241.14481	1.4
268.03757	3.0
268.07404	1.5
283.09753	100.0
283.26410	39.2
284.10095	6.7
284.26767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46724	0.5
57.03466	0.5
59.01381	100.0
60.01712	1.2
61.98839	2.7
62.81743	0.5
66.60548	0.5
69.85972	2.0
70.04736	0.5
71.01385	1.3
71.51663	0.4
74.11946	0.5
76.54910	0.5
85.02974	0.8
87.00890	1.6
89.02445	0.8
89.45895	0.5
93.03471	1.0
98.01151	0.4
98.20619	1.0
98.60218	0.5
99.00925	0.5
101.02456	1.2
113.02489	1.0
121.02938	1.0
131.03557	0.5
132.81979	0.5
137.09773	0.7
146.36401	0.5
161.04633	0.9
176.87090	0.5
219.06721	1.0
221.10272	2.6
239.12901	2.5
281.06766	0.9
281.24902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0612
Annotation	Acacetin
Peak:m/z	Relative Intensity
51.27171	0.4
51.96624	0.5
56.25505	0.5
59.01374	4.6
59.07936	0.4
61.55395	0.5
67.01909	0.6
67.65289	0.5
69.41252	3.2
71.01387	0.5
77.70950	0.5
93.03459	3.7
95.01395	0.9
100.49397	0.5
107.01376	0.8
109.02948	0.6
117.03468	13.7
119.05061	1.3
121.03018	0.5
123.00905	2.7
130.04248	0.7
131.05077	2.4
132.02161	0.8
133.02960	1.4
133.06607	8.2
145.02956	100.0
146.03276	4.2
151.00377	1.4
157.06569	1.4
161.02423	1.1
169.01459	0.9
169.06580	0.9
181.06575	1.4
182.07317	1.0
183.08125	3.0
185.05988	1.0
193.06679	0.6
196.05295	0.6
199.07640	2.5
209.06000	1.7
210.06795	1.9
211.07610	7.9
227.07190	2.4
237.05495	3.8
238.06355	1.0
239.03465	0.8
239.07138	12.3
241.14345	1.2
255.06589	1.8
261.28174	0.5
265.05066	3.0
268.03809	2.1
283.06110	62.1
283.26413	42.7
284.03278	1.7
284.06454	4.2
284.26764	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	281.0878
Annotation	(3R)-3-(beta-D-glucopyranosyloxy)-4-hydroxybutanoic acid
Peak:m/z	Relative Intensity
57.03421	4.7
57.46293	2.1
59.01382	100.0
70.02339	2.7
70.94882	2.0
71.01382	23.2
73.02946	39.1
75.26458	2.1
76.02883	2.2
83.01382	9.7
83.59014	1.9
85.02940	6.1
85.88852	2.1
87.00879	4.4
89.02438	5.0
93.03454	4.9
98.19904	6.3
99.00861	2.6
101.02436	26.8
113.02441	6.5
119.03604	2.4
119.05051	16.0
131.03514	5.0
135.04530	9.2
137.02473	3.9
137.03552	1.9
137.09720	11.9
143.03433	2.7
149.04503	3.4
159.09473	2.1
161.02502	2.3
161.04573	6.0
176.04034	7.9
177.12737	2.2
179.03471	5.8
181.30675	2.2
194.07642	3.0
221.11804	3.4
239.12889	34.6
240.13141	4.5
281.10703	2.2
281.13910	11.4
281.17047	2.9
281.24802	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40903	0.6
57.03443	1.3
59.01379	12.2
61.98825	1.7
85.02960	0.8
91.01899	5.6
96.96005	1.9
98.20679	1.0
108.02178	2.6
109.02940	1.3
116.92823	1.6
121.02936	0.7
121.04305	0.5
130.04245	5.7
132.02165	1.3
133.02962	0.7
134.99927	1.0
135.00885	14.0
136.01495	0.7
137.02473	0.6
137.09744	5.3
145.02928	2.1
153.01947	4.7
169.06653	0.5
173.02411	1.1
177.12827	1.0
193.06609	2.8
194.07307	0.9
195.04495	1.3
209.06068	3.5
210.06865	3.3
211.07339	0.6
217.86871	0.6
219.51558	0.5
221.06096	2.3
221.11818	1.0
222.06824	1.8
223.03958	2.6
237.05577	18.1
238.06316	14.2
239.06749	0.6
239.12877	14.7
249.05600	1.1
253.08705	3.5
258.40506	0.6
265.05045	20.2
266.05801	28.2
267.06232	2.0
281.08182	100.0
281.24850	1.6
282.08530	7.5
282.78488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
66.40649	0.7
70.81258	2.0
73.32261	0.8
92.86592	0.8
107.13228	0.7
110.01012	0.7
120.99164	0.8
122.47626	0.7
190.01384	0.8
258.70230	0.9
277.28683	0.9
279.23276	100.0
280.23630	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01120	0.3
59.01384	4.2
61.98822	0.8
62.52468	0.3
71.00663	0.6
71.01376	0.4
74.87057	0.3
91.01888	6.8
93.03460	0.4
96.95975	0.4
108.02174	2.5
109.02953	1.2
109.96541	0.3
116.92888	0.6
121.02938	1.2
130.04242	6.9
132.02150	1.5
133.02937	0.6
135.00883	17.6
136.01456	0.7
137.09711	1.5
145.02969	2.1
153.01964	4.3
160.01665	1.0
169.03885	0.4
173.02417	1.3
174.03221	0.5
177.51645	0.4
181.06491	0.5
193.06621	2.4
194.07312	1.0
195.04469	1.2
196.05307	0.4
200.64751	0.4
209.06120	3.7
210.06834	3.5
221.06049	2.3
222.06851	1.7
223.04005	2.6
223.29974	0.3
224.04623	0.6
237.05577	17.8
238.06337	12.9
239.06726	0.7
239.12904	2.7
249.05463	0.7
253.05252	0.4
253.08646	2.3
265.05048	22.4
266.05814	34.4
267.06158	2.5
281.08182	100.0
281.24924	0.8
282.08505	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	279.1237
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
57.03450	13.1
57.92322	0.6
59.01376	5.2
60.63242	0.7
65.93114	0.7
69.03463	1.3
69.84821	3.3
70.71124	0.7
71.01381	2.2
73.02950	1.0
73.81143	0.8
77.38657	0.7
81.03452	0.7
83.05033	2.1
85.02943	1.3
85.06612	0.7
89.02457	3.3
93.03476	1.4
93.07061	1.4
94.04243	1.4
95.01414	0.8
95.05038	3.7
97.02946	6.7
97.06591	2.6
98.20016	1.0
99.04559	0.9
107.05040	1.8
109.02954	4.5
109.06599	6.7
111.04530	3.8
112.24531	0.9
113.02447	1.0
119.03535	0.8
119.08672	2.4
121.06606	6.1
122.03745	13.7
123.04528	3.4
124.05309	16.3
125.06134	4.7
131.03488	1.1
135.04559	1.6
136.56245	0.7
137.06088	12.4
137.09720	1.1
139.07654	100.0
140.08008	3.4
147.08183	4.0
148.05327	1.4
157.06499	0.8
161.09692	0.8
163.07655	1.6
163.11276	2.2
168.07925	25.3
169.08725	3.6
171.08215	3.8
172.08957	1.5
175.11279	1.0
177.12874	2.1
180.07922	1.6
185.09668	1.1
187.11295	20.6
188.11655	1.0
189.09268	1.5
190.10002	4.8
205.12340	40.7
206.12704	1.8
217.12299	1.4
231.10153	0.9
235.13483	4.0
249.11351	5.7
279.12335	13.3
279.23315	1.1
280.12665	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.3
58.00587	2.1
59.01379	47.5
61.54483	0.8
61.98820	0.8
64.07083	0.7
65.76556	0.7
71.01381	27.0
71.52383	1.3
72.99311	4.6
73.02947	1.8
75.00871	45.8
77.24934	0.7
80.01971	0.7
80.96497	1.0
83.01404	1.8
85.02953	6.6
87.00898	4.0
87.04514	38.5
89.02448	33.2
93.03434	0.8
95.01377	1.5
99.00908	0.8
99.04516	2.8
101.02442	16.5
103.00371	1.4
113.02448	13.8
115.00359	1.5
117.01938	1.4
117.05601	4.6
119.03508	15.0
119.05018	2.9
121.02909	0.7
129.01938	8.1
131.03500	59.1
132.03853	0.9
135.00858	0.9
135.84195	0.7
143.03476	1.1
147.02966	3.3
149.04594	1.2
161.04553	1.9
163.00378	1.2
163.03999	1.3
165.04041	100.0
166.04370	2.1
173.06056	1.3
175.03940	1.5
179.05557	1.8
189.67424	0.7
221.04300	0.9
237.09825	1.0
237.31126	0.8
279.07587	1.8
279.10843	32.9
279.13959	1.6
279.23190	5.7
280.11084	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
69.81294	2.2
69.81700	1.0
71.01385	14.5
72.99307	3.0
75.35320	0.6
85.02937	0.7
87.00892	1.0
89.02447	1.3
93.03417	0.7
101.02441	0.9
115.00372	36.2
119.05029	33.3
120.05376	1.8
133.01431	100.0
134.01743	1.9
135.38516	0.5
163.04005	30.9
164.04333	1.6
190.71225	0.5
210.19496	0.6
221.14494	0.7
235.09837	1.5
279.07864	0.6
279.23157	1.3
286.88348	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70587	0.5
55.85958	0.5
59.01384	3.3
69.17666	3.8
69.18076	1.6
69.57400	0.6
71.01382	19.7
71.01780	1.0
85.02950	0.6
87.00821	0.7
89.02447	2.5
115.00376	11.8
119.05028	59.6
120.05377	2.6
122.03723	0.7
133.01427	12.8
139.07674	2.5
147.06645	0.6
163.04007	100.0
164.04353	3.8
175.11285	0.5
205.12418	0.6
249.14226	0.6
279.10965	0.8
279.23337	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01356	1.3
71.01391	0.7
71.13715	0.7
71.14043	0.5
134.62189	0.4
277.21722	100.0
278.22073	5.2
278.79666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01111	0.5
59.01383	7.4
61.98820	1.5
71.01385	0.4
71.37096	0.7
72.99310	0.3
79.95720	0.6
87.58869	0.3
87.89500	0.4
89.00304	0.4
103.25848	0.3
109.02938	0.4
116.92793	0.4
117.03461	0.4
121.02938	1.6
134.89488	0.7
153.72598	0.3
160.98825	0.4
161.02423	0.6
164.99525	0.4
182.93668	1.5
188.98312	0.4
205.15994	1.5
233.15477	0.3
233.22768	0.5
241.79428	0.9
258.00922	0.4
259.20615	0.5
261.18576	0.3
275.20242	0.6
277.18182	13.2
277.21689	100.0
278.18375	1.2
278.22034	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39621	1.7
53.71039	1.5
58.99596	5.3
59.01367	5.8
60.97517	1.7
69.72551	2.6
69.72952	7.0
72.97530	3.8
74.99094	54.3
81.71844	1.6
87.00874	22.0
90.98019	3.3
90.98593	65.2
91.98927	1.5
98.01968	5.3
101.02448	2.9
101.06071	3.5
101.33823	1.4
108.84105	1.6
111.26374	1.6
120.12727	1.4
121.02943	7.1
127.05878	100.0
128.06190	2.4
130.04224	1.7
135.01230	5.9
145.06929	82.2
146.07178	2.6
161.06000	1.9
173.06001	1.8
174.69867	1.4
179.00188	29.4
189.05893	21.3
189.09169	3.5
215.07442	41.3
216.07687	2.5
232.20267	1.5
233.08508	12.9
233.65871	1.6
259.06174	3.4
277.07404	32.0
277.21576	9.7
278.07816	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01377	4.6
61.98815	0.4
70.37015	0.4
71.01379	0.6
79.95733	0.3
83.05027	0.4
89.00321	0.4
91.28571	0.2
101.20388	0.2
109.52682	0.2
116.92851	0.3
121.02930	1.3
127.07671	0.4
137.02457	0.3
174.25732	0.2
190.41760	0.2
205.15953	1.0
233.19101	0.5
233.22748	0.7
259.20587	0.5
275.20258	0.3
277.18289	7.2
277.21692	100.0
278.18546	0.6
278.22046	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0716
Annotation	Microdiplodiasone
Peak:m/z	Relative Intensity
59.01379	27.0
61.01041	1.1
64.51179	1.1
69.03429	1.3
69.33524	10.6
71.01368	2.2
80.02682	6.3
83.01387	2.1
85.02943	1.5
87.00893	1.8
91.05535	27.9
93.03456	1.7
94.43759	1.4
97.02943	2.8
98.00097	30.1
101.06083	3.4
113.02450	3.1
117.07110	21.2
121.02940	4.4
125.02439	3.4
130.04250	2.1
135.04521	4.0
137.02417	2.7
143.08656	3.0
159.91985	1.5
161.06075	1.7
161.09691	2.9
167.03329	1.2
171.08163	33.0
172.08473	2.2
187.07770	1.8
189.09218	54.3
190.09528	3.4
205.08751	1.5
215.07132	8.2
227.16161	1.3
231.06583	2.7
233.08189	26.6
234.08269	1.5
249.07582	6.7
259.06100	39.0
259.08740	2.3
260.06558	2.2
277.07156	100.0
277.21732	6.7
278.07465	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	275.0926
Annotation	Ascochitin
Peak:m/z	Relative Intensity
57.03432	0.9
59.01373	1.5
66.22018	0.6
71.01379	0.6
71.53679	0.5
71.54097	0.7
73.02938	1.0
80.70848	0.5
85.02942	3.2
93.83537	0.5
113.02434	0.8
130.04213	1.0
131.03548	0.7
133.02907	0.8
133.93571	0.5
134.03708	0.9
137.02403	0.9
146.03745	1.3
151.07640	0.9
158.03751	2.2
159.04536	4.1
159.08128	1.1
172.05290	11.2
173.06084	8.2
174.03261	0.7
174.06844	0.8
175.07622	0.6
182.22670	0.5
183.13890	1.3
185.07990	0.6
187.04147	5.6
187.07642	100.0
188.07939	5.3
191.01942	0.7
191.03522	1.0
201.05576	9.3
201.09392	0.6
202.06339	17.8
203.06870	0.9
203.10825	2.1
204.04337	2.6
213.09177	3.2
215.07164	1.0
216.07933	0.8
227.12938	0.6
231.10252	26.8
232.10553	1.9
275.09262	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	276.9182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67690	0.3
59.01382	0.4
59.44632	0.3
69.59413	1.8
78.95902	8.1
79.95762	0.4
87.00861	1.8
87.85529	0.3
89.75880	0.3
96.96011	6.6
96.96947	2.2
116.17257	0.3
121.02953	0.6
134.96095	1.0
134.97073	1.6
136.94008	100.0
137.94080	5.4
138.05652	0.3
156.06577	0.5
178.95122	1.6
216.89650	94.6
217.89728	5.8
234.90727	21.7
235.90779	1.3
259.51364	0.4
276.88690	0.6
276.91644	3.3
276.98792	6.8
277.14487	0.4
277.21671	1.1
277.36682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0772
Annotation	Ranunculin
Peak:m/z	Relative Intensity
52.63595	0.5
53.07360	0.6
55.21752	0.7
57.03452	12.8
59.01379	1.5
67.01885	1.3
71.52283	1.2
71.52969	0.6
83.01386	1.3
85.02981	0.7
87.00882	8.5
88.42753	0.7
93.03452	3.3
99.00901	0.7
101.06081	100.0
102.06421	2.5
103.00369	2.1
111.00882	18.0
115.07651	3.0
129.01959	3.4
137.02522	0.7
143.07126	12.3
155.03519	0.7
173.04581	7.3
186.86992	0.7
187.06105	37.6
188.06396	1.4
257.06714	1.1
275.07626	1.5
275.11459	1.4
276.41541	0.6
292.02527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21432	0.4
54.53834	0.4
57.03445	1.5
59.01380	1.4
69.03455	7.3
71.01402	0.7
71.09698	0.5
71.10036	0.5
85.02950	2.5
87.00877	100.0
87.05541	0.5
88.01204	1.3
97.06589	4.3
101.53613	0.5
103.00396	0.5
111.00890	1.3
111.23707	0.5
112.01675	2.6
113.02463	7.8
115.00391	0.8
123.08164	1.9
125.06059	0.6
135.04585	0.6
149.06055	0.5
149.09720	0.6
157.01414	12.5
167.07108	3.4
175.02473	18.6
193.08691	5.9
255.08733	14.2
256.08942	0.8
273.03940	0.8
273.09750	4.0
279.51434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17932	0.4
52.74035	0.4
57.03452	0.6
59.01378	0.6
69.03463	6.9
79.69507	0.4
80.91665	0.6
83.05036	0.9
85.02953	1.8
87.00877	100.0
88.01217	1.3
97.06593	1.6
107.14276	0.5
108.95076	0.5
110.98479	0.5
111.00894	0.9
112.01671	0.8
113.02454	5.2
123.08144	0.8
142.96695	0.7
143.07892	0.6
157.01431	7.5
167.07129	0.9
175.02477	27.2
176.02827	0.9
185.81544	0.5
193.08698	0.9
255.08865	1.0
273.03806	0.5
273.09955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.2
59.01387	0.4
65.01353	0.1
65.03963	7.6
67.01908	0.3
67.60371	0.1
71.53739	0.2
74.35291	0.2
87.00890	0.2
91.01890	1.0
93.03469	0.2
107.05032	11.9
108.02153	0.2
108.05341	0.3
109.02954	14.5
110.03279	0.4
121.02951	0.5
122.03793	0.2
133.02939	0.2
135.00891	2.1
151.04008	100.0
152.04346	3.2
153.01909	0.4
156.96214	0.2
163.04033	2.5
163.05299	0.3
173.02422	0.5
201.01961	0.3
244.03793	0.2
255.06644	0.7
271.32925	0.2
273.00412	0.5
273.03354	0.3
273.07693	6.2
274.07950	0.4
275.51093	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
56.38912	0.3
59.01371	0.9
61.44058	0.3
61.98813	0.6
66.93712	0.3
68.80100	0.4
71.53011	0.5
75.96783	0.4
83.05029	0.4
85.33985	0.3
91.01903	0.8
95.14911	0.4
108.02170	0.5
109.02940	0.5
119.05013	0.5
125.02412	0.4
134.03761	0.3
134.89482	1.1
135.00882	0.9
135.04524	4.0
153.01949	0.9
225.22267	3.4
253.21629	1.6
257.70084	0.4
269.21179	1.1
271.02820	0.4
271.06097	1.6
271.22775	100.0
272.23114	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	272.9927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.5
57.87223	0.9
58.99604	1.0
59.01377	12.7
61.98829	2.6
69.03452	3.1
71.01392	3.3
71.52065	1.1
72.99313	2.0
75.16013	0.9
78.35091	0.9
78.95911	3.9
80.91676	1.0
83.05040	4.9
83.09215	0.9
85.02956	2.3
85.35021	0.9
87.00877	100.0
88.01212	1.3
90.97131	5.7
96.95979	1.1
97.06584	2.6
108.02163	4.9
110.02622	2.7
111.00885	2.1
112.01696	1.6
113.02432	4.2
115.00440	1.3
115.04006	1.9
118.96643	3.0
127.04009	2.7
130.63347	1.0
132.81424	0.9
132.98218	10.0
142.96634	70.0
146.99767	4.7
157.00328	0.9
157.01384	4.8
157.95341	7.4
158.02808	1.4
158.99763	4.0
160.97688	25.7
168.99892	1.5
170.99806	2.2
173.01321	6.8
174.99252	11.0
175.02475	16.7
175.96400	4.8
182.99756	3.1
184.97687	41.7
185.08076	2.3
186.99278	1.6
189.00896	5.0
191.05614	2.3
195.01532	2.4
201.00810	28.0
202.98743	30.7
205.97604	1.2
212.97221	8.5
212.98970	2.0
213.00793	8.4
217.00287	4.9
219.01878	40.3
230.98228	14.4
231.01862	3.9
255.08723	2.6
263.00894	3.4
272.99307	33.9
273.04294	6.5
273.09778	3.4
273.99609	1.0
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	Unknow
Peak:m/z	Relative Intensity
56.82988	0.9
57.03444	1.1
59.01371	2.0
71.01383	3.8
71.39033	1.5
72.99317	2.5
79.95765	1.4
83.01385	4.6
83.04983	1.1
85.02946	1.5
87.00914	1.5
87.18759	1.0
93.03468	1.0
95.05038	1.1
99.00892	3.9
100.07903	1.0
107.27312	1.0
109.06623	2.2
111.04507	1.3
112.98812	6.9
123.08180	1.4
125.06174	1.4
125.09728	4.9
135.08174	1.2
137.06093	1.2
139.07698	1.6
142.99876	3.2
153.05557	3.5
153.09288	2.7
155.08969	2.6
167.07016	1.6
173.00948	3.0
174.01691	100.0
175.02115	3.8
193.05020	2.5
211.06113	1.4
227.94389	1.1
271.02292	3.2
271.08252	12.6
272.08615	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	271.0976
Annotation	Dehydrooxoperezinone-6-methyl ether
Peak:m/z	Relative Intensity
53.99961	0.2
59.01368	0.3
61.98814	0.6
65.03957	0.5
70.37650	1.1
72.81132	0.2
79.51708	0.2
80.02683	0.3
91.01899	4.8
98.19935	0.2
105.84598	0.3
107.01396	1.2
108.02168	2.0
109.02954	8.5
119.05041	0.8
121.02928	0.6
122.03743	28.1
123.04055	0.6
124.01687	2.0
125.02409	0.3
134.89548	0.3
135.00880	7.7
135.04533	4.7
136.01678	2.2
149.02449	3.7
150.03230	65.4
151.03590	2.3
153.01926	2.5
153.57957	0.3
163.04001	1.8
165.01915	0.6
165.05528	0.4
213.05591	0.3
227.10783	0.5
238.06314	0.5
253.08942	0.3
256.07419	2.1
271.09747	100.0
272.07074	0.5
272.10077	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04775	0.2
52.37543	0.2
55.01873	0.2
57.03436	0.4
59.01377	1.6
61.98822	0.5
65.00356	0.2
68.23083	0.2
68.99853	0.2
69.03445	0.4
69.25928	1.0
69.26333	0.6
71.01383	7.5
72.99297	0.9
73.02945	2.6
75.00855	0.2
78.95880	0.2
82.58318	0.2
83.01379	0.7
85.02950	3.7
87.00874	0.9
89.02445	0.4
90.97154	0.5
95.01393	1.9
96.96912	0.3
97.02948	0.5
98.19926	0.3
99.00890	1.2
101.02450	4.4
107.05048	0.4
108.02178	100.0
109.03013	10.9
110.03239	0.3
112.98828	0.2
113.02454	5.2
117.93435	0.2
118.96681	0.4
120.72996	0.2
120.99643	0.3
121.02989	1.0
122.03805	0.3
123.00120	0.2
123.00874	1.2
123.04541	1.8
125.02444	0.6
125.09537	0.2
126.98837	0.6
130.08777	0.2
132.98236	0.7
133.02950	1.1
134.03763	0.4
135.04520	0.6
137.02458	0.3
143.03511	0.5
151.04013	5.1
156.99878	0.3
158.99760	0.3
159.03091	0.9
161.04556	5.9
163.04016	1.7
165.91504	0.2
168.99910	0.6
169.01361	0.5
174.99254	3.1
175.02519	0.6
188.97121	1.0
211.00809	0.4
211.02606	0.3
214.98801	0.3
215.02370	0.3
271.01456	0.6
271.04849	0.6
271.07990	0.9
271.22815	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.3
62.73705	1.1
69.29974	4.6
69.30399	4.9
69.34660	1.0
71.01383	6.0
72.99316	1.5
73.02909	1.1
74.02493	1.3
83.01380	3.1
85.02950	2.5
87.00887	2.1
98.19847	1.9
99.00864	3.1
99.05634	2.1
101.02464	2.0
108.01469	2.1
108.02173	31.2
109.02946	5.1
109.06512	1.4
111.00845	1.3
111.04775	1.2
112.98811	6.5
113.02489	1.4
123.08150	1.7
127.64410	1.4
128.03531	4.4
142.99835	3.3
143.04575	6.2
149.06113	1.6
151.04013	1.6
153.05566	4.3
161.04556	2.3
167.07109	1.2
167.24522	1.3
173.00879	3.8
174.01689	100.0
175.02118	3.3
181.06192	1.0
210.08836	1.1
235.88950	1.1
271.08401	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	271.0613
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
54.15648	0.3
57.03442	1.4
57.06044	0.3
59.01376	0.9
63.76114	0.3
71.52696	0.4
73.02118	0.4
75.05405	0.3
78.86232	0.3
83.05053	0.3
87.00878	0.3
91.01895	13.8
93.03497	0.5
108.02184	0.7
109.02952	0.8
119.05072	0.5
121.02947	2.5
125.02441	1.1
134.03749	1.3
135.00896	30.6
135.04523	100.0
136.01198	0.6
136.04826	3.2
143.05070	0.7
149.02440	8.8
151.00458	0.4
153.01941	14.4
161.02386	0.9
165.01921	0.6
175.88504	0.4
253.05000	1.4
256.03857	0.4
271.02597	2.8
271.06110	34.2
271.15442	0.7
271.19089	0.5
272.03381	0.6
272.06448	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	271.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.7
59.01371	2.8
63.02397	9.2
65.00323	17.4
68.99801	0.7
71.01379	1.3
72.99303	1.8
73.97974	0.5
81.03459	0.7
83.01385	13.5
84.34956	0.4
87.00886	0.8
93.03458	13.4
93.04031	0.9
97.06548	0.6
99.00871	1.4
101.02440	0.7
107.01390	24.8
108.01688	0.5
108.02228	0.7
109.02979	0.7
109.06595	2.0
112.98824	1.8
115.00359	0.4
117.01952	1.1
117.03477	0.8
119.05026	70.3
120.05344	2.3
121.02949	0.7
123.04478	0.5
125.02452	3.6
125.06093	1.7
127.00388	0.7
127.07691	0.6
131.03539	0.5
133.02922	1.3
135.03220	0.6
135.04446	0.9
137.06061	0.8
139.07582	0.5
142.99843	2.8
143.05028	0.9
145.02948	2.1
147.14488	0.5
149.02454	0.7
149.05991	0.5
151.00366	67.4
152.00713	1.9
153.05563	3.3
161.06071	1.9
165.01938	3.6
165.05597	0.8
167.07149	1.0
169.01418	1.5
173.00894	0.9
174.01686	25.2
175.02205	0.5
177.01923	8.9
185.06061	2.0
187.04002	2.6
193.05026	1.3
193.60231	0.5
223.13445	0.9
227.07132	1.3
229.02254	0.6
253.04807	0.5
271.06104	100.0
272.06381	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	0.2
69.98708	0.4
91.01895	14.1
91.05529	0.1
92.02241	0.4
107.05021	0.7
108.02208	0.1
109.02953	0.4
117.03439	0.1
133.02940	0.1
134.03758	1.4
135.00902	36.5
135.04520	100.0
136.01230	0.9
136.04860	3.5
150.98114	0.1
153.01939	9.3
154.02313	0.2
161.02457	0.7
168.04279	0.1
212.05391	0.1
225.05537	0.2
253.05093	1.4
271.06104	31.7
272.06439	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	271.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62717	0.1
65.00328	0.2
65.84663	0.1
66.88415	0.1
79.38776	0.1
82.79138	0.1
91.01896	15.2
91.05521	0.1
92.02232	0.3
98.20648	0.3
107.05022	0.5
108.02174	0.1
109.02970	0.3
117.03463	0.2
133.02968	0.2
134.03754	1.9
135.00903	35.1
135.04520	100.0
136.01227	1.0
136.04854	3.4
153.01935	10.4
154.02261	0.3
161.02473	0.7
229.15616	0.1
253.05104	1.1
254.05478	0.1
271.06107	29.5
272.06470	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	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	11.6
57.03450	7.7
58.00587	2.2
59.01377	56.3
68.99805	1.1
69.03455	1.3
69.55168	1.3
69.55564	5.3
70.91167	1.0
71.01382	100.0
72.01695	0.9
72.99313	4.2
73.02948	40.9
74.11666	0.9
75.00891	2.0
78.95906	1.7
83.01385	19.6
85.02953	50.3
86.00095	1.4
87.00884	6.9
89.02438	5.5
95.01392	7.5
96.96985	5.3
96.97493	1.1
97.02943	2.1
98.19769	0.8
99.00887	18.6
100.90264	0.8
101.02443	85.2
102.02766	1.5
107.05032	2.4
111.00880	1.2
113.02448	46.1
119.05008	0.9
125.02419	3.3
126.01282	0.9
129.01962	2.2
134.25676	0.9
143.03531	3.1
159.02983	10.6
161.04553	35.8
173.09856	1.0
252.05305	0.9
269.04401	2.5
269.07129	1.4
269.10257	12.4
269.21222	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	269.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01852	0.7
52.11736	0.8
53.78153	0.7
55.93924	0.7
57.03461	1.6
59.01380	81.1
59.57340	0.7
60.99303	0.8
61.98822	1.6
63.02390	2.4
65.00311	2.8
71.01384	0.8
71.54117	1.4
74.91724	0.8
78.71768	0.8
83.05049	1.2
91.01859	0.9
93.03445	0.8
99.04517	3.5
99.33514	0.8
107.01389	4.2
108.02166	1.7
109.02974	0.7
113.02480	0.7
117.03461	16.7
119.05016	1.4
121.02965	1.5
133.02950	5.1
133.06641	1.0
135.00885	1.6
145.02942	3.6
149.02415	4.1
151.00375	4.9
153.01952	1.2
159.04524	2.3
161.02438	3.2
163.34923	0.9
165.12845	9.0
180.00735	1.0
183.04475	2.2
189.12785	1.3
197.15463	4.4
201.05571	2.8
207.13904	17.2
209.06203	1.3
209.11815	20.0
213.05396	1.2
225.05539	5.9
225.14970	14.4
227.03467	1.4
227.07132	1.0
227.12831	1.1
233.24997	0.8
237.05734	1.0
251.12849	9.3
253.05067	18.0
254.05702	4.9
269.04535	100.0
269.08115	28.8
269.13928	84.0
269.17255	2.4
269.18048	1.5
269.21231	5.1
269.24820	3.2
270.04919	5.7
270.08334	1.4
270.14322	5.1
276.14471	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0818
Annotation	2',4'-DIHYDROXY-4-METHOXYCHALCONE
Peak:m/z	Relative Intensity
50.19154	0.6
50.67118	0.7
52.41981	0.6
52.55171	0.5
60.64995	0.5
91.01894	10.3
92.02689	1.3
95.01384	2.2
108.02178	10.6
109.02988	1.2
117.03410	0.6
119.05012	2.6
120.02164	1.2
127.46471	0.6
135.00883	13.6
145.02950	0.7
148.01662	51.7
149.02000	1.0
153.01903	2.0
180.00642	20.7
180.02158	1.3
184.05365	1.0
210.06873	0.8
211.04024	0.8
212.04799	1.1
227.07095	2.2
253.05128	2.5
254.03152	1.0
254.05811	20.8
255.06166	0.8
269.08179	100.0
270.08536	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	269.0818
Annotation	2',4'-DIHYDROXY-4-METHOXYCHALCONE
Peak:m/z	Relative Intensity
50.78302	0.2
50.78564	0.2
61.98819	0.6
65.00316	0.7
69.41722	0.8
69.42156	1.0
91.01893	18.3
92.02185	0.4
92.02705	0.4
95.01391	1.7
98.19928	0.5
107.01404	0.5
108.02171	5.6
108.99270	0.2
109.02969	0.5
117.03444	1.4
118.69989	0.2
119.05006	1.3
123.00877	0.3
129.05557	0.7
133.02866	0.3
135.00882	15.5
145.02939	0.5
145.18985	0.2
145.70987	0.2
148.01662	21.5
149.02040	0.4
151.00368	0.5
153.01929	4.6
158.94635	0.2
161.02400	0.6
169.06447	0.2
180.00642	13.5
181.01035	0.4
184.05278	3.1
205.12320	0.7
205.92470	0.5
209.06084	0.3
211.04001	5.7
212.04773	7.0
213.05132	0.5
225.05652	0.6
227.07118	23.3
228.07442	1.0
253.04997	0.8
254.03163	0.4
254.05824	7.7
255.06248	0.5
269.04697	8.0
269.08170	100.0
269.21198	1.3
270.05121	0.6
270.08505	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69068	0.1
63.02393	1.4
63.21122	0.2
65.00329	0.9
69.20872	0.6
69.21294	0.7
83.01390	0.1
87.69521	0.1
89.03966	0.4
91.01894	4.2
95.37121	0.1
105.03456	0.5
107.01385	1.3
107.17433	0.1
117.03461	3.1
118.03807	0.2
119.05011	0.2
123.04496	0.1
125.40374	0.2
132.02187	0.9
133.02957	52.6
134.03275	1.6
135.00885	9.9
135.04454	0.2
136.01222	0.3
146.53769	0.1
149.02460	0.8
151.00366	0.9
153.01949	2.1
154.02271	0.2
159.04492	0.7
161.02419	0.4
169.06584	0.4
171.04546	0.3
180.05827	0.3
181.06544	0.3
182.03786	0.3
183.04474	0.4
196.05183	0.2
197.06049	0.6
199.03989	0.5
201.05576	1.6
208.05141	0.2
213.05608	0.4
224.04773	1.0
225.05565	2.6
226.02678	0.3
227.03510	1.7
228.03851	0.2
237.84325	0.1
240.04471	0.2
241.05058	1.1
269.04538	100.0
270.04889	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	269.0455
Annotation	Genistein
Peak:m/z	Relative Intensity
54.28345	0.2
56.42586	0.2
65.00335	0.3
65.98516	0.2
69.25011	2.0
70.63759	0.2
82.20676	0.2
89.03966	0.6
91.01894	7.5
93.03529	0.2
95.05010	0.3
103.00433	0.2
105.03441	0.9
109.02964	0.5
117.03471	0.7
121.02903	0.2
123.04530	0.3
127.04145	0.3
132.02197	0.8
133.02957	40.2
134.03281	1.3
135.00882	12.0
141.07094	0.3
151.00331	0.2
153.01927	2.3
155.05202	0.3
161.02480	0.7
167.05014	0.6
169.06636	1.6
171.04468	0.5
173.06039	0.3
179.04948	0.3
180.05804	0.4
181.06612	0.3
182.03795	0.3
183.04451	0.6
185.06033	1.1
195.04478	1.5
196.05301	1.2
197.06067	2.6
198.03217	0.5
199.03999	0.9
201.05560	1.9
208.05275	0.6
211.03947	1.3
213.05574	3.9
214.06163	0.3
223.03996	1.5
224.04735	2.0
225.05557	3.3
226.02696	0.7
227.03485	1.9
239.03545	0.3
240.04266	0.8
241.05048	3.2
251.03514	0.6
252.04308	0.5
268.03656	0.3
269.04541	100.0
270.04858	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	267.1236
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
54.92138	0.6
57.03455	3.6
59.01379	100.0
60.01704	0.8
60.99333	0.7
71.05017	1.3
73.02948	1.7
74.73920	0.6
78.16710	0.6
83.05056	0.9
87.00872	3.5
120.22671	0.7
120.99676	1.0
123.44524	0.7
161.13400	2.0
163.11281	1.6
191.05627	1.2
207.10237	3.2
223.13383	52.1
224.13750	2.7
239.03474	2.9
267.03021	1.8
267.12427	5.0
267.16107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1239
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03450	3.2
59.01380	100.0
60.01731	1.2
63.17959	0.7
63.47988	0.6
66.41563	0.8
70.05934	0.8
70.32034	0.7
71.05012	2.0
73.02959	1.7
83.05042	1.1
87.00893	4.0
96.62686	0.7
96.96986	0.9
97.92478	0.7
98.20665	2.1
98.63301	0.7
121.02923	0.8
142.17657	0.8
161.09749	0.8
161.13376	2.0
187.11365	0.8
207.10342	2.4
211.13269	0.8
221.68214	0.7
223.13391	52.1
224.13812	2.3
267.12500	6.1
267.16019	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	268.031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87438	0.4
59.01379	1.6
60.01725	0.6
61.98832	100.0
64.72270	0.4
69.95425	1.7
71.01376	0.9
85.02929	0.4
102.10211	0.4
106.75810	0.4
109.58898	0.4
142.99854	0.6
147.45839	0.4
148.44370	0.5
268.07721	0.7
269.04712	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	269.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39797	0.1
63.02398	5.0
64.99966	0.1
65.00322	2.6
65.00673	0.1
79.01882	0.1
81.03458	0.2
83.01387	0.6
89.00323	0.2
93.03459	0.8
105.03479	0.5
107.01391	3.9
110.33237	0.1
117.03465	11.2
118.03817	0.3
120.99619	0.1
121.02968	0.7
130.04271	0.1
133.03036	0.1
135.04521	0.7
141.03482	0.2
143.05006	0.2
147.00883	0.2
149.02451	2.9
150.02817	0.1
151.00366	3.1
155.05014	0.4
157.06621	0.3
159.04526	3.6
161.02444	1.8
167.05040	0.2
169.06580	0.7
171.04486	0.3
173.06076	0.2
180.05817	0.6
181.06590	1.0
182.03749	0.4
183.04494	1.3
183.05977	0.1
185.02414	0.1
195.04436	0.2
196.05237	0.6
197.06081	1.3
198.06444	0.1
199.03972	0.3
201.05562	1.1
203.03606	0.1
206.97267	0.1
213.05484	0.3
224.04715	0.5
225.05539	2.1
227.03499	0.9
241.05099	0.2
268.03699	0.1
269.04541	100.0
270.04889	5.5
279.58221	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	267.0722
Annotation	2-O-(alpha-D-Glucopyranosyl)-D-glycerate
Peak:m/z	Relative Intensity
51.94444	0.6
54.40099	0.5
55.01878	0.6
55.05294	0.4
57.03442	3.9
58.00599	0.9
59.01379	21.2
69.03454	0.7
71.01382	27.7
71.51286	0.7
72.99313	3.4
73.02934	0.9
75.00876	13.3
76.64097	0.5
83.01387	1.6
84.02174	0.6
85.02950	29.5
86.03283	0.7
87.00879	12.8
89.02444	7.5
91.03986	0.8
95.01379	4.7
96.32837	0.5
99.00880	8.2
101.02439	1.5
103.00362	1.9
111.00835	0.8
112.01637	1.0
113.02450	37.9
115.00373	1.4
117.01956	2.7
120.85090	0.5
129.01961	1.8
131.03505	1.5
145.27336	0.6
149.04559	1.2
157.01424	0.9
161.24600	0.5
172.88893	0.5
175.02466	1.9
195.01505	0.6
205.07100	0.6
207.05043	1.3
247.36095	0.6
249.06140	3.5
267.07202	100.0
268.07593	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	267.0662
Annotation	5-Hydroxy-3'-methoxyflavone
Peak:m/z	Relative Intensity
59.01396	0.8
70.00376	0.4
70.00774	0.6
70.34554	0.2
79.26355	0.3
87.00881	0.4
91.01888	3.9
91.02429	0.3
92.83136	0.2
92.99848	0.3
93.67296	0.2
96.97002	0.6
101.34520	0.2
108.02178	1.5
112.70544	0.2
116.02768	0.3
117.03487	0.7
119.58739	0.2
126.90239	0.2
135.00882	15.8
136.01231	0.4
153.01945	2.4
180.05812	0.5
182.03673	0.3
195.04549	2.0
196.05342	1.7
198.03171	0.6
223.03995	10.2
224.04767	5.0
225.04942	0.3
251.03502	1.4
252.04263	100.0
253.04587	5.9
267.06607	88.8
267.12500	0.7
267.16034	0.9
268.06921	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61821	1.2
59.01375	11.3
61.98829	1.9
71.01403	3.3
72.99309	1.4
73.02961	3.2
76.14278	1.3
85.02975	2.5
85.66756	1.1
87.00879	86.6
88.04050	1.3
89.02451	2.0
91.01872	1.5
93.03463	4.8
99.00861	1.5
101.02462	3.4
105.01944	5.2
106.04292	1.9
107.05029	20.7
108.02184	2.6
111.00878	3.3
113.02452	2.5
121.02975	4.7
125.79803	1.2
132.03008	1.6
133.06595	2.6
135.04617	1.4
136.01648	5.0
148.05359	1.6
151.04013	6.5
159.04530	2.2
160.05348	1.9
161.02423	1.7
161.04776	1.4
161.06078	6.8
177.05551	2.1
178.98364	2.0
179.03496	100.0
180.03793	2.8
205.05083	3.3
223.95905	1.1
246.96384	1.1
249.04025	2.1
267.07187	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	267.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
63.59256	0.3
70.03812	1.3
71.01403	0.4
73.66334	0.3
78.95902	41.1
89.02502	0.3
95.22518	0.3
96.96960	100.0
101.02436	0.5
102.96337	0.3
105.01919	1.0
108.29096	0.3
115.35744	0.3
151.03946	0.5
161.04535	0.5
202.00948	0.3
267.06335	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86315	1.4
57.03442	2.8
58.00591	3.2
59.01380	100.0
65.51195	1.2
67.38049	1.5
71.01382	60.5
71.20383	1.2
71.51441	2.6
72.99312	6.0
73.02940	3.7
83.01384	2.1
85.02949	38.7
87.00871	4.6
87.04494	1.6
89.02446	65.1
89.44361	1.2
95.01385	4.0
99.00819	1.7
101.02445	28.6
103.04021	9.2
113.01728	1.8
113.02457	21.9
119.03498	25.6
129.01920	3.7
131.03511	3.2
133.03947	2.0
143.03494	4.1
149.04543	3.8
151.06181	1.4
161.04530	2.6
165.06631	2.4
173.00835	1.8
179.05611	7.3
205.05156	1.3
210.47995	1.6
244.88969	1.3
265.09299	40.9
265.57800	1.5
266.09607	2.3
288.18329	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	264.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
59.01363	2.5
69.71991	1.4
69.72402	2.7
70.02979	20.7
71.01390	4.9
72.00904	1.6
73.02917	0.9
75.77000	0.7
79.50769	0.8
87.00871	1.4
91.05542	6.2
96.18523	0.7
96.99300	6.7
106.66270	0.8
114.01968	100.0
115.02293	1.8
117.03461	8.2
117.07086	0.8
118.06648	0.8
123.00854	0.8
124.01615	1.3
129.01949	2.7
131.03526	1.0
134.06119	26.5
135.04561	0.8
142.01628	1.2
142.51857	0.9
144.08141	1.9
146.04596	4.0
146.06183	1.5
160.07663	4.1
164.01172	4.3
167.02354	0.7
168.00551	1.2
177.26456	0.8
182.49611	1.3
182.99886	0.8
188.07164	5.0
193.08702	1.2
202.13321	0.8
221.08180	3.7
232.06140	16.5
264.02591	0.7
264.13098	2.0
264.15991	1.0
265.07123	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	263.1288
Annotation	Abscisate
Peak:m/z	Relative Intensity
55.01892	2.1
57.03452	7.3
59.01377	7.4
67.10947	1.3
70.06556	5.4
71.01389	7.4
71.05025	1.7
73.02964	1.6
83.05026	3.1
85.02968	1.7
86.45920	1.3
87.00868	5.6
93.03434	1.5
95.05036	3.2
97.02958	11.2
97.06573	1.7
105.07095	3.2
107.05019	4.8
108.02116	1.4
108.05808	7.2
109.02949	8.1
109.06599	4.9
111.04518	13.9
111.08174	2.1
113.06097	11.1
119.08656	5.3
121.06586	4.4
122.03758	15.9
123.04527	1.8
123.08168	9.8
125.06087	23.1
125.09715	1.3
135.08180	3.4
136.05298	15.7
137.06134	8.3
137.09709	2.0
138.06877	22.1
139.07655	41.0
140.07903	1.6
148.05328	10.7
149.06046	5.0
151.03957	1.9
151.07652	84.1
152.04832	8.3
152.08438	46.0
153.09232	16.5
159.11720	4.0
161.09718	10.9
163.07637	15.4
167.07114	4.2
170.05789	1.9
171.08180	2.2
175.02397	2.0
185.09674	3.0
186.10555	3.4
188.08382	3.1
189.09213	8.0
201.11189	2.3
201.12860	29.0
202.13182	1.8
203.10776	28.3
204.11546	73.1
205.12000	3.0
219.13893	100.0
219.22104	1.3
220.14247	5.9
263.12885	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49252	0.8
58.09180	0.7
59.01373	1.5
67.91895	0.6
69.03464	0.9
69.86906	2.2
71.01380	2.6
73.02946	2.9
87.00873	12.1
87.04512	57.7
89.02448	16.8
90.48325	0.7
103.03968	0.8
107.08385	0.6
110.61631	0.7
111.60009	0.8
113.02458	5.8
113.05984	0.8
131.03499	100.0
132.03825	1.3
149.04550	71.4
150.04880	1.6
153.39058	0.8
157.01349	1.0
175.02428	4.1
185.05971	0.7
245.03108	1.6
247.89406	0.6
261.57712	0.8
283.80673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14154	0.5
53.45250	0.6
57.03450	0.6
59.01373	2.6
60.99170	1.0
69.03466	3.4
69.85965	2.4
71.01387	3.5
73.02943	2.5
80.94424	0.5
85.02954	1.2
87.00878	31.6
87.04515	59.0
88.01251	0.8
88.04871	1.0
89.02448	17.3
95.05000	0.6
98.20696	0.7
101.02464	0.7
103.04000	1.2
111.04485	1.3
112.98579	1.5
113.02449	6.9
113.06093	2.3
131.03502	100.0
132.03847	1.6
139.04036	0.9
145.15152	0.6
147.01080	0.8
149.04553	69.6
150.04890	0.8
155.03513	0.7
157.01411	1.8
169.38957	0.5
173.04556	0.9
175.02490	10.1
176.02692	0.6
182.54691	0.5
183.03044	0.9
191.03537	0.9
201.03993	1.1
219.03020	0.6
245.02957	2.0
263.02194	1.9
263.07840	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	263.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69043	0.8
50.69982	0.9
56.36389	0.8
69.03458	8.1
71.05037	2.1
83.83273	0.9
85.02946	3.3
87.00876	100.0
95.05015	2.2
96.96184	0.8
104.33255	1.0
112.01680	2.1
113.02449	12.6
113.06078	4.7
114.00088	0.9
119.20999	0.9
139.04008	2.4
157.01404	11.8
157.05103	1.1
173.04587	1.5
175.02477	44.3
183.02939	4.3
201.04143	5.3
240.86241	0.9
245.03046	9.0
260.13959	0.9
263.04114	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	263.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
69.03448	3.2
70.12510	2.2
71.01379	3.5
71.36703	0.5
73.02941	2.0
83.04985	0.6
85.02972	1.6
87.00877	33.5
87.04514	58.3
88.04819	1.1
89.02444	17.3
95.05009	0.8
103.04028	1.0
111.00937	0.5
111.04440	0.6
112.01680	0.8
112.88969	0.5
113.02448	9.3
113.06097	1.7
118.64908	0.6
131.03502	100.0
132.03841	2.1
139.04027	1.5
149.04553	69.4
150.04921	0.7
157.01463	2.6
173.04526	0.6
175.02478	12.1
183.02986	1.3
201.04102	1.4
223.95978	0.6
245.02998	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	260.0233
Annotation	Sulfotyrosine
Peak:m/z	Relative Intensity
57.97552	1.3
58.99606	96.5
66.68807	0.6
71.49581	0.7
74.00710	1.0
74.99103	0.8
83.39243	0.6
86.02473	0.7
87.00877	2.8
95.01955	0.6
102.98596	12.3
110.02504	1.9
110.06152	0.7
112.04048	51.3
113.04391	1.2
116.01755	1.2
144.01259	80.3
145.01561	1.3
145.50352	0.8
148.93556	0.8
154.03317	0.8
172.04399	6.6
179.56926	0.6
199.00853	0.7
216.03365	21.2
254.68932	0.7
260.02325	100.0
261.02649	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	260.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97556	1.5
58.99604	100.0
59.99575	0.7
69.78853	2.0
69.79246	1.1
69.87263	0.6
74.00711	0.8
74.99095	1.2
85.15110	0.6
86.02473	0.9
98.19962	0.8
102.98598	13.4
110.02473	1.6
112.04050	50.1
113.04362	0.8
114.94292	0.8
116.01740	1.3
122.42220	0.7
142.96721	0.6
144.01251	77.2
145.01518	1.1
172.04399	5.8
216.03337	19.8
217.03546	0.8
260.02322	93.8
261.02655	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	260.0233
Annotation	Sulfotyrosine
Peak:m/z	Relative Intensity
54.09906	0.7
58.99602	100.0
69.68714	4.3
71.13278	0.8
84.04547	11.6
87.00881	1.7
95.17275	0.8
98.20636	0.8
98.55195	0.7
102.98599	13.6
102.99274	1.0
110.06116	1.5
112.04046	87.9
113.04401	1.7
118.06622	0.8
144.01251	1.4
144.04907	1.2
172.04390	5.1
216.03346	20.7
260.02313	96.1
261.02704	4.1
261.07608	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07808	0.7
52.74844	0.9
57.97546	2.3
58.99603	100.0
70.67966	1.1
70.68298	2.0
71.70232	0.8
84.04515	1.0
86.02483	1.4
87.00873	13.3
98.20532	1.0
102.98598	11.2
110.02469	1.7
110.06127	1.0
111.04530	1.4
112.04048	54.2
113.06052	0.8
113.58287	0.9
116.01711	1.8
118.59177	0.8
128.01759	2.0
142.11015	0.9
144.01250	80.8
145.01517	1.6
154.03371	1.0
172.04349	6.1
173.04529	1.0
216.03351	21.5
217.07063	1.4
260.02313	97.6
261.02704	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	257.0818
Annotation	Cochinolide
Peak:m/z	Relative Intensity
59.01379	1.2
59.33074	0.9
65.03966	8.0
67.47674	0.9
70.04360	3.6
79.55293	0.8
81.03461	1.2
91.01897	2.2
93.03451	10.6
96.73207	0.8
106.04246	17.4
107.05031	47.3
108.02176	7.0
108.05370	1.0
109.02950	10.0
119.05003	0.9
121.02958	9.9
122.03727	2.0
135.00871	2.9
138.03204	1.7
142.70811	0.8
150.03224	1.5
151.04001	97.2
152.04335	2.7
162.30141	0.8
163.04074	1.3
213.09203	49.9
213.48503	0.9
214.09482	1.6
251.12299	0.8
256.23663	3.2
257.08173	100.0
257.13889	2.7
257.23849	1.8
258.08517	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	259.155
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99644	0.5
59.01377	1.1
69.03432	0.5
70.56176	1.6
70.64262	0.5
80.02669	1.3
81.03462	1.6
83.05029	5.3
84.02177	2.6
93.03435	1.4
95.05011	0.6
125.02407	0.6
125.06032	0.5
125.09706	1.8
135.04515	3.0
137.02390	0.9
161.02426	1.0
163.11252	4.4
163.78180	0.6
165.12827	2.7
176.03990	4.2
179.03464	2.4
181.12274	0.8
187.09744	2.1
190.90175	0.5
191.10794	1.4
202.91364	0.5
209.11819	100.0
210.12134	4.3
227.12877	11.0
259.02344	0.8
259.06107	2.2
261.36298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98826	0.7
67.10211	0.6
70.69379	1.5
70.69733	1.0
71.01383	2.0
73.02966	1.8
79.95777	0.8
83.01417	0.8
85.02970	1.9
87.00880	1.2
97.02947	0.7
99.00906	1.5
101.02464	2.6
106.98126	1.1
113.02512	0.6
124.00758	4.7
125.02470	0.9
141.01959	0.7
152.00227	1.2
155.03540	0.6
161.04556	6.5
193.07169	26.2
254.07039	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	254.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22621	0.4
52.91758	0.4
59.01378	3.5
60.01713	0.8
61.98829	100.0
62.94601	0.4
63.25121	0.4
70.36341	0.7
70.36716	0.7
96.53651	0.4
142.99852	0.6
157.05298	0.5
173.00885	0.6
184.68393	0.4
194.07594	0.9
211.05948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0662
Annotation	Isoliquiritigenin
Peak:m/z	Relative Intensity
58.34571	0.3
59.01389	0.4
69.65948	1.2
69.66362	0.9
71.99519	0.4
91.01896	21.9
92.02240	0.7
93.03445	0.7
117.03605	0.4
119.05025	100.0
120.05346	3.3
121.39507	0.3
135.00883	45.4
136.01213	1.1
142.84299	0.3
146.65547	0.3
149.02486	0.9
153.01935	10.8
169.06488	0.4
213.05618	0.8
237.14772	0.4
255.06610	53.4
255.23277	5.6
256.07037	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	256.9979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
59.01370	3.8
71.01381	2.5
71.51302	0.8
83.53312	0.6
85.02931	6.2
87.00896	1.4
90.97140	7.2
97.02975	1.1
99.00887	2.2
103.86892	0.6
110.02464	0.8
117.00449	2.3
118.96639	3.5
125.00963	3.3
125.03561	1.3
126.98907	2.0
128.98709	1.2
131.00313	1.3
131.01997	5.6
132.98204	14.2
144.98210	2.2
145.03583	1.0
152.02322	1.1
158.99763	6.0
160.97702	9.4
162.95636	0.7
167.04614	7.1
168.99904	1.5
170.99812	3.3
171.01089	0.8
174.99225	5.5
182.99872	0.9
185.98447	1.0
186.99260	14.5
196.92207	0.8
196.99432	4.4
197.05672	0.9
198.99203	3.6
201.00810	100.0
202.01109	2.1
203.02388	41.7
204.02650	0.9
210.99182	1.9
213.00815	7.5
214.98729	4.7
215.00517	1.0
226.98674	2.3
229.00230	2.1
238.98473	0.9
244.99820	0.9
245.58521	0.6
247.01341	1.4
256.23563	3.8
256.99786	83.7
257.23831	0.9
258.00092	2.8
259.52518	0.7
276.27689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05944	0.7
52.64466	0.7
59.01381	100.0
70.69897	0.8
70.70208	1.2
71.01406	1.9
73.02956	1.4
78.69090	0.7
81.45064	0.7
85.02943	1.5
87.00903	1.8
95.55202	0.7
97.02913	1.0
98.94268	0.7
99.00890	2.1
101.02458	2.7
125.02411	0.7
137.57115	0.6
160.37180	0.6
161.04556	6.7
168.92007	0.7
193.07179	22.8
194.07573	0.8
199.26955	0.7
236.24350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	63.8
60.67011	0.8
66.33604	1.1
69.03444	0.9
69.21969	1.5
69.22370	7.0
71.01411	1.3
72.99308	25.3
73.02961	1.7
82.52025	1.0
85.02945	1.1
87.00870	3.2
91.05534	9.9
98.20612	1.7
99.00878	2.5
101.02452	2.0
115.05524	1.7
117.07097	6.8
117.43685	1.0
119.05022	4.8
129.07101	19.2
132.23528	1.0
133.06618	1.7
140.92261	0.9
141.73854	0.9
145.06610	16.0
147.04430	1.2
147.08209	1.0
149.73265	0.9
155.03360	0.9
161.04517	5.0
161.06052	3.8
165.59315	0.9
173.06070	70.4
174.06364	2.5
189.05569	14.7
191.07140	11.5
193.07150	16.8
198.21114	1.2
207.06610	1.8
217.05054	21.6
235.06114	100.0
236.06462	4.8
251.77190	1.1
253.07181	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	251.056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30935	0.9
69.84613	4.8
72.07654	1.1
72.99303	1.3
82.57476	0.9
87.00876	85.7
91.05531	64.6
92.05889	2.0
92.82800	1.0
98.00083	1.6
98.20016	1.4
106.71166	1.0
117.07105	2.8
134.97060	0.9
135.04504	3.2
145.06606	10.5
161.06091	1.3
163.04008	100.0
164.04349	3.0
180.52628	1.0
189.05598	3.4
213.00894	1.1
233.04607	1.7
251.05569	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	251.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34081	0.9
57.03439	1.3
59.01384	3.4
61.98840	2.4
84.25510	0.8
84.38486	0.9
95.05003	1.7
98.20708	1.8
118.95100	1.0
137.09724	100.0
138.10052	3.4
180.94101	1.3
205.16010	6.7
207.17528	48.7
208.17964	2.4
219.53766	0.9
251.16560	32.4
252.16960	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	250.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.6
67.01885	0.7
69.61855	2.9
70.02977	1.1
71.01380	6.2
73.84534	0.4
85.02962	0.5
87.00878	10.4
88.04041	76.2
91.05537	9.0
93.03460	5.2
94.03818	0.6
98.19976	0.7
107.28791	0.4
108.31688	0.5
111.04509	0.5
114.01972	4.2
115.00376	12.8
119.05036	6.9
120.05419	0.8
128.13171	0.5
132.03030	100.0
133.03418	1.4
134.06122	0.5
135.04529	3.9
137.02486	0.9
145.06624	1.4
155.03539	0.7
163.04010	15.3
168.04288	0.5
173.04573	6.2
181.53442	0.5
189.05673	0.7
206.08282	1.9
207.61845	0.4
207.91963	0.4
211.07713	0.6
223.07477	0.7
233.04665	0.5
250.07191	22.8
250.14511	0.6
251.07642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1496
Annotation	(1R*,3Z,7E,11R*)-(-)-7,10,10-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-3-carboxylic acid
Peak:m/z	Relative Intensity
58.02617	0.3
59.01374	1.4
60.00603	0.4
61.98830	2.1
71.05022	6.2
71.07217	0.6
81.03459	0.7
83.05025	0.7
93.41290	0.4
94.04227	0.4
95.05034	0.4
95.71812	0.3
105.07069	0.4
107.67670	0.3
115.92066	1.0
116.92908	0.7
117.03477	0.9
121.06588	2.8
121.10252	2.4
134.06371	0.4
137.09726	0.4
139.11261	1.1
149.09720	1.1
149.13379	0.7
161.02409	0.8
163.11328	0.6
165.12860	0.8
177.96721	0.5
187.14957	1.2
189.12831	1.3
190.73410	0.4
203.14473	1.1
204.04170	1.9
205.15967	21.5
206.16254	1.2
219.06604	1.5
248.58105	0.7
248.97171	0.8
249.14948	100.0
250.15187	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	250.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.6
67.01885	0.7
69.61855	2.9
70.02977	1.1
71.01380	6.2
73.84534	0.4
85.02962	0.5
87.00878	10.4
88.04041	76.2
91.05537	9.0
93.03460	5.2
94.03818	0.6
98.19976	0.7
107.28791	0.4
108.31688	0.5
111.04509	0.5
114.01972	4.2
115.00376	12.8
119.05036	6.9
120.05419	0.8
128.13171	0.5
132.03030	100.0
133.03418	1.4
134.06122	0.5
135.04529	3.9
137.02486	0.9
145.06624	1.4
155.03539	0.7
163.04010	15.3
168.04288	0.5
173.04573	6.2
181.53442	0.5
189.05673	0.7
206.08282	1.9
207.61845	0.4
207.91963	0.4
211.07713	0.6
223.07477	0.7
233.04665	0.5
250.07191	22.8
250.14511	0.6
251.07642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
59.01384	6.1
61.98832	0.9
71.01381	2.2
71.52632	0.6
72.99312	3.7
73.02937	1.3
74.99127	0.6
75.00871	26.9
77.12068	0.6
83.05018	0.7
85.02916	0.8
87.00884	1.6
87.04513	32.0
89.02451	4.3
91.15321	0.7
93.03457	1.1
99.95963	0.6
101.02446	0.9
109.02945	0.8
111.00938	0.8
111.04523	0.7
113.02463	2.8
117.01934	2.2
117.05570	2.7
119.05299	1.2
131.03500	45.6
132.03809	0.9
133.02925	0.6
135.02995	100.0
136.03346	1.8
136.99217	0.7
137.02490	1.1
159.04485	0.8
161.02507	1.0
161.05974	0.6
196.47319	0.5
204.04208	4.2
205.08614	0.8
205.16086	0.8
217.03543	1.0
219.06627	1.7
230.75876	0.6
231.05203	0.7
234.05357	0.8
249.03983	1.4
249.07915	1.5
249.11615	0.6
249.14903	2.1
250.14496	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	247.1702
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
57.03460	0.2
59.01365	0.4
61.98829	1.7
70.10258	0.4
71.01378	2.9
79.95733	1.0
85.02933	0.3
89.02471	0.3
97.84692	0.2
103.04007	1.2
113.02379	0.2
115.92076	0.3
121.02935	0.2
122.94181	0.1
143.74248	0.2
152.65454	0.1
157.05061	0.5
171.98376	0.3
176.99345	0.2
184.00159	4.9
184.50430	0.2
186.95584	0.6
191.00981	0.5
200.50031	0.2
204.15237	0.2
205.15961	0.2
220.17029	0.3
231.13921	0.4
247.17012	100.0
248.07999	4.6
248.17345	6.3
248.19962	0.2
256.72754	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	249.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.7
61.14891	0.6
61.98849	0.7
66.57876	0.6
69.03460	1.0
69.76075	0.6
69.77987	3.4
71.01372	3.0
72.99306	5.7
73.01184	0.9
73.02942	1.2
75.00872	26.6
81.03455	1.4
83.05018	2.5
85.02959	2.3
87.00884	4.7
87.04517	33.2
89.02431	4.0
92.75868	0.6
93.03453	3.9
96.95986	0.7
97.02967	3.2
99.04465	0.9
101.02427	1.0
109.02969	4.0
111.00903	1.4
111.04549	4.5
113.02446	4.0
115.92059	1.8
117.01949	2.5
117.03796	0.7
117.05579	1.9
118.98038	0.9
119.05408	6.8
120.99657	2.9
121.02956	0.7
125.06102	0.9
127.04020	2.0
131.03502	45.8
135.02997	100.0
136.03300	1.3
137.02481	0.8
141.05653	0.7
142.99869	1.1
149.04588	1.3
153.04469	0.7
155.03441	5.2
160.61986	0.7
161.02554	0.9
161.06233	1.3
163.04056	1.5
173.04572	2.4
185.04533	3.0
187.06128	1.2
189.05905	1.7
199.02470	2.8
199.04204	0.6
203.05717	0.9
204.04211	0.7
205.01659	0.6
205.08447	0.8
207.06952	0.9
217.03543	2.6
229.96071	0.7
231.05133	8.8
249.00665	1.4
249.04028	1.2
249.07982	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.0
61.98831	100.0
69.33823	5.4
71.01393	1.6
71.71263	0.6
72.35667	0.6
72.99314	1.4
74.04577	0.8
78.95905	1.3
84.33736	0.6
96.96057	0.8
96.96960	2.5
97.02976	0.8
105.47546	0.7
110.03279	0.7
123.04552	1.0
124.01650	1.4
136.98849	1.3
139.00426	1.3
140.01154	2.6
141.65237	0.7
142.17424	0.7
144.05145	0.7
147.04123	1.0
149.02492	1.0
162.06508	1.1
168.00684	4.0
183.02983	57.8
184.03354	1.7
188.04480	1.6
189.05119	1.3
203.07198	0.8
204.07494	4.7
228.07419	0.8
246.08522	17.0
247.06136	1.8
256.02359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0984
Annotation	Valinopine
Peak:m/z	Relative Intensity
54.46887	1.0
57.03451	35.9
59.01365	2.4
68.12373	0.9
70.96486	3.0
71.01006	1.8
71.01379	21.0
71.05016	1.9
73.02943	1.3
74.02475	87.1
75.00856	4.5
83.01377	2.4
88.04043	55.1
96.99310	2.0
101.02445	3.4
101.06077	8.2
103.04035	1.1
110.02481	1.7
115.00374	38.1
127.00361	7.1
130.08740	63.2
131.07146	55.1
131.09114	1.0
132.03021	2.8
132.07521	1.1
145.01460	5.9
184.09747	2.5
184.59245	0.9
202.10849	52.8
203.11189	1.6
228.08763	8.6
246.09813	100.0
247.07988	4.6
247.10188	3.8
248.79219	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	100.0
58.03793	1.2
58.70199	0.5
59.01377	1.7
59.46633	0.6
69.47115	0.6
69.57352	1.3
69.57771	2.4
71.01379	7.5
72.99303	0.9
73.02944	3.9
74.02490	2.9
75.02801	0.7
83.01393	9.3
84.05604	0.5
88.04063	1.6
89.02469	0.9
89.04395	1.0
95.16036	0.6
97.06641	0.9
101.02445	9.5
101.06084	20.2
102.06441	0.6
103.04044	2.3
113.02435	0.6
115.00379	1.3
124.81365	0.6
127.00376	21.3
130.08804	1.2
131.07178	1.9
131.09096	2.2
132.04625	1.9
132.07524	2.1
142.06635	0.7
143.36877	0.5
145.01427	14.5
145.02499	0.9
170.06171	1.6
173.04675	0.6
203.11122	2.6
204.04906	1.2
247.08052	12.1
247.10593	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	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42202	0.3
57.30691	0.3
58.51211	0.3
59.01379	38.2
60.01723	0.4
63.85696	0.3
80.35066	0.3
80.36664	0.3
85.02922	0.4
85.06548	0.3
87.00902	0.4
97.06615	0.3
103.16874	0.3
112.41454	0.3
123.91782	0.3
127.11280	4.0
128.11555	0.4
136.05090	0.3
139.04013	0.4
139.11325	2.1
155.10776	2.1
157.12332	18.6
158.12582	0.4
183.03020	0.4
185.11830	15.9
186.12183	0.5
203.12871	100.0
204.13213	3.9
207.48210	0.4
245.04688	0.4
245.11847	0.5
245.13936	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1394
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
50.60299	0.5
53.92532	0.6
56.93566	0.5
59.01380	34.4
71.54044	0.9
83.05009	0.6
85.02919	0.6
85.51205	0.5
96.96011	0.6
116.05035	1.5
133.02925	0.5
141.12772	0.5
165.12825	4.8
167.10724	0.7
173.06058	0.6
183.03023	0.6
183.13901	30.5
184.14201	1.3
185.11823	100.0
186.12135	3.9
199.13480	0.6
199.36432	0.6
203.07018	1.0
209.11842	1.7
227.12866	11.4
245.04410	1.2
245.08600	3.9
245.13924	84.3
246.14284	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	245.0929
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
58.02976	22.9
59.01375	2.0
70.02980	17.7
70.82724	2.4
72.00900	4.9
72.04544	4.1
74.02473	100.0
75.00851	1.0
95.05031	0.9
98.02482	24.8
116.03554	30.1
116.05064	33.6
117.05486	1.0
130.06604	5.2
142.06677	6.8
159.09282	6.5
160.02530	1.1
174.54999	1.0
183.09273	3.1
186.05684	2.8
197.97783	1.1
201.10326	9.1
203.08263	86.3
204.08516	2.7
245.09302	97.8
246.09589	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84997	0.9
57.03442	1.0
58.00590	7.3
59.01107	1.6
59.01379	19.1
59.69832	1.0
69.03447	2.5
70.69674	2.2
71.01378	9.4
72.02168	4.1
72.99309	2.4
73.02957	2.4
74.17524	1.1
75.00852	1.5
81.07121	1.7
83.01350	1.1
84.02183	1.1
85.02937	7.1
85.06604	1.0
87.00874	22.9
88.96836	1.1
89.02444	8.6
94.92474	0.9
95.05031	5.0
96.95998	4.0
97.02928	1.2
97.06581	11.7
99.00896	1.0
99.08144	10.3
100.76961	1.1
101.02467	2.4
105.01946	2.3
106.40087	0.9
108.02175	2.3
109.06594	4.3
109.49122	1.0
111.04520	2.6
111.08162	1.3
112.01644	2.4
113.02445	5.1
113.06084	1.8
124.01633	0.9
125.02473	1.5
125.06073	3.8
127.07656	100.0
128.08025	1.7
129.01947	4.7
129.09215	5.0
130.08742	3.2
137.06090	9.1
139.04007	4.1
139.07669	10.4
147.02994	3.2
155.07146	40.2
157.01404	3.2
157.04974	1.0
157.08702	3.0
159.02950	1.2
167.07164	4.1
169.01413	2.5
183.03009	2.9
183.10210	1.5
185.08246	6.1
207.68666	1.1
241.00200	2.5
245.04591	1.3
245.06564	1.6
245.10268	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	244.9979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52007	0.6
55.01883	0.7
55.41665	0.6
57.03443	2.3
58.71471	0.7
59.01375	10.9
67.01892	0.9
68.60241	0.6
69.03455	5.6
69.81822	2.5
70.68114	0.6
71.01379	3.1
71.05026	0.6
72.07344	0.6
72.99312	3.8
73.02973	0.6
76.15153	0.7
78.95901	7.3
83.05013	2.1
85.02959	5.2
87.00877	54.0
88.01217	1.4
89.02438	1.0
90.97144	2.5
93.03448	1.7
95.01382	1.8
95.05034	4.1
96.96040	0.8
96.96948	1.6
97.02942	2.2
97.06576	0.8
98.20605	0.7
101.02434	1.2
109.02942	1.1
111.00880	1.9
111.04507	6.2
111.64240	0.7
112.01660	1.9
113.02451	12.1
113.06086	5.3
115.00330	0.7
115.03989	1.4
118.96687	1.0
119.03498	0.6
121.02891	0.7
123.04519	1.5
125.02483	0.9
127.07649	3.0
128.03529	3.7
129.01926	0.8
129.05574	0.9
130.96687	0.7
132.98158	3.3
139.04034	8.7
139.07658	1.3
140.30276	0.6
141.05592	4.3
142.96631	31.0
145.01430	0.9
146.99748	0.8
152.99585	2.6
155.03508	2.4
155.07172	1.8
157.01422	7.5
157.05026	1.9
157.95317	1.9
158.99712	1.1
160.97681	9.1
165.05594	0.9
166.99901	0.9
167.08275	2.0
169.01460	0.7
171.00613	1.4
172.97624	0.9
173.01308	0.8
173.04541	0.9
174.99249	36.3
175.96384	1.8
183.03001	5.8
183.06622	1.2
184.97675	100.0
185.98009	1.9
188.97231	3.2
193.06094	0.8
194.60138	0.7
201.03976	1.6
201.07451	1.0
202.98738	81.7
203.99080	1.3
209.06693	1.0
244.99747	16.3
245.04044	4.3
245.06497	4.4
246.97816	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	245.03
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	9.5
59.01374	9.9
66.21848	2.7
67.01881	4.0
67.05523	4.8
69.03454	52.0
69.42547	19.5
71.01376	17.2
78.95899	23.2
83.01388	3.8
83.05034	21.5
85.02953	46.3
87.00876	81.0
87.08942	3.1
93.03458	10.1
95.01402	15.3
95.05025	30.6
96.02164	3.4
96.95988	5.9
97.02932	19.7
97.06594	4.3
98.00063	4.1
99.00901	7.3
111.00864	12.3
111.04523	54.8
111.08152	5.4
112.01646	13.4
112.85551	3.4
112.98685	3.6
113.00772	3.9
113.02457	100.0
113.03262	4.7
113.06087	41.8
115.03978	7.4
116.07174	6.3
121.02947	4.5
125.02451	7.0
127.07648	17.1
129.01939	8.0
129.05566	7.0
130.08727	8.2
137.06104	3.7
139.04019	89.9
139.07701	14.5
140.04344	3.5
142.96678	4.8
147.03001	3.7
152.99635	22.3
155.03468	18.6
155.07147	9.5
157.01414	79.5
157.05011	12.8
169.01366	7.3
171.00645	10.2
173.00943	4.6
173.04472	10.8
183.02983	53.7
183.06567	11.3
184.97658	13.3
201.04065	16.9
202.98669	9.2
241.00220	7.8
245.02962	15.9
245.04254	16.8
245.06650	18.5
245.10310	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	243.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46874	0.6
57.03442	2.4
59.01379	49.3
59.72809	0.6
64.03098	0.7
71.05024	1.4
72.99309	6.9
82.23698	0.7
85.06557	1.6
98.19854	1.7
107.08671	3.2
109.10223	1.2
120.99128	0.6
121.10261	1.7
123.72210	0.7
125.09751	0.9
139.11263	2.6
139.46812	0.7
155.10768	3.4
168.06963	0.7
182.06047	1.2
183.10254	61.4
184.10561	2.7
201.02013	0.8
201.11313	100.0
202.11684	2.8
226.05159	1.3
230.28702	0.7
243.02962	1.8
243.12392	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	244.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19545	0.9
59.01358	0.9
67.66829	0.8
69.78539	0.9
70.69855	2.4
77.13266	0.8
80.05039	2.9
82.90949	0.8
84.24337	0.8
85.02964	1.0
87.02741	1.0
89.50835	0.8
96.04548	9.8
96.96018	0.9
110.06107	17.2
112.99416	2.0
113.00670	4.0
122.05219	1.7
122.06114	31.4
123.06451	0.8
128.01762	86.3
129.02097	1.4
142.06859	0.8
156.04887	81.8
156.58925	1.0
157.05191	2.3
200.03857	30.3
203.07004	0.8
244.02832	100.0
245.03059	2.0
245.08151	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	244.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.01376	2.6
61.98825	1.1
69.53723	1.1
69.54140	2.2
71.01396	0.9
73.02939	0.9
74.02506	0.4
87.00924	0.7
88.04042	1.7
115.00377	0.5
125.02442	0.5
128.05066	1.3
128.10834	2.4
129.09229	0.8
130.06648	1.6
153.05807	2.2
154.06619	20.6
155.06998	1.0
155.78059	0.5
159.04543	0.6
161.06093	0.6
165.94823	0.5
168.66113	0.5
170.06267	0.6
172.07681	4.7
181.05325	6.5
182.06099	94.0
183.06409	4.2
183.10210	0.6
184.10564	1.2
187.03923	0.7
198.05635	2.6
201.11342	7.9
202.11684	1.8
203.07062	0.6
207.04536	0.6
209.11816	7.9
226.05086	100.0
227.05397	4.5
227.12871	1.2
244.03407	0.6
244.06352	1.2
244.11949	2.6
245.04617	0.8
245.08217	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01578	0.4
57.03442	1.8
61.98830	6.5
67.05491	0.5
69.44626	2.9
71.05025	0.5
81.03439	0.6
81.26994	0.4
83.05010	3.3
95.05032	1.8
97.06595	9.6
103.92027	0.5
109.06585	0.9
111.08166	9.8
112.08481	0.6
133.91940	0.5
147.11781	1.2
149.09679	0.6
163.11278	3.0
165.12842	100.0
166.13182	4.8
197.15469	25.1
198.15901	1.2
209.11813	3.7
213.91954	0.5
241.14374	2.6
241.18089	0.5
241.21803	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58902	1.0
59.01379	15.2
69.75040	5.0
71.01377	7.6
71.79358	1.1
72.99299	2.5
88.04044	100.0
89.04414	1.1
95.93941	1.1
106.48196	1.0
106.69107	1.0
107.08666	1.3
114.01961	7.4
115.00378	16.0
120.36988	0.9
126.09219	2.7
127.07651	9.5
132.03030	68.1
133.03325	1.2
147.14119	1.0
164.90039	0.9
183.10255	19.3
198.11334	4.5
201.11319	31.4
229.44211	0.9
242.10327	35.6
243.02924	1.8
243.10489	1.3
243.12517	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	243.1235
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03431	1.3
58.76846	0.9
59.01380	100.0
70.91015	2.4
71.01385	2.0
73.02943	4.4
95.05042	1.4
99.08140	2.6
107.05021	3.1
109.02982	0.9
113.06036	1.0
125.06028	2.4
127.07666	1.1
129.01888	1.0
131.03502	4.5
139.11308	19.8
154.21849	1.0
155.07133	10.1
155.70151	1.1
159.52574	0.9
163.11256	3.1
179.10809	2.5
181.12346	34.1
183.10263	20.4
199.04201	1.0
199.13396	12.1
223.42668	1.2
225.11342	6.7
243.12355	81.5
243.16124	3.1
244.12659	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	239.1289
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.05849	0.5
57.03450	63.4
58.03786	0.8
59.01380	11.0
69.03455	3.8
69.50060	3.5
71.01407	0.7
71.05023	2.2
74.09354	0.5
81.07101	1.1
87.00871	2.6
91.63454	0.5
93.03463	1.4
95.05039	1.2
97.02934	0.7
97.06567	1.3
98.20641	0.9
107.05039	2.0
107.92265	0.6
109.06589	12.0
109.10220	1.1
112.40327	0.5
120.05795	1.7
121.06617	0.8
123.07265	1.1
123.08167	22.1
125.02468	0.6
125.09733	4.2
135.08151	5.8
137.02481	0.5
137.09766	2.3
149.09688	0.8
151.11292	15.7
161.04547	1.6
173.04565	0.7
177.12848	1.9
179.05614	10.2
179.10713	3.2
195.13905	54.9
196.14227	1.9
239.12894	100.0
240.13200	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	239.2016
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
57.03453	1.1
57.88399	0.6
59.01378	30.3
61.98816	2.2
65.00319	0.9
70.07931	2.8
71.01363	1.6
71.63552	0.6
79.01919	1.4
81.03436	0.8
82.81379	0.6
82.98318	0.5
85.02972	1.3
87.00881	4.8
89.02462	0.7
92.07834	0.6
95.01388	1.3
99.00868	2.2
100.44894	0.6
107.01414	1.4
117.01892	0.9
123.00845	3.3
125.02393	0.8
137.09726	10.2
148.98862	0.7
151.00334	1.6
161.04570	4.9
177.04051	0.8
179.05606	26.1
194.99310	1.5
195.13913	2.2
207.04095	5.0
221.19197	1.0
223.02818	2.5
238.98372	1.4
239.06729	20.5
239.09195	1.0
239.12906	15.3
239.20143	100.0
240.07024	1.8
240.13301	0.9
240.20483	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	241.1082
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
55.38869	1.0
57.03449	1.5
59.01380	50.2
64.91221	0.9
68.20213	0.9
69.03448	3.0
70.71254	2.2
70.84639	0.9
71.05007	1.2
72.99313	3.5
73.02954	2.5
73.30377	0.9
75.65938	0.9
83.05026	1.1
84.92941	0.9
90.86918	0.9
91.72280	1.0
92.94601	0.9
94.40340	0.8
107.08666	18.1
113.01527	1.0
119.08672	2.1
123.08172	3.1
125.09720	1.0
135.08131	1.2
137.09703	1.3
139.57451	1.0
151.07574	1.2
153.09264	1.1
163.07671	1.5
169.08716	1.6
179.10843	1.4
181.08710	15.7
195.14172	0.9
197.11789	8.4
199.09747	100.0
200.10052	3.5
226.06369	1.2
241.04991	1.2
241.10803	8.0
241.14493	3.1
241.21634	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57719	1.1
59.01380	100.0
68.64880	1.0
69.03468	1.3
69.06812	1.0
69.96846	1.1
71.01383	7.4
72.04652	1.1
73.02960	2.6
73.24089	1.2
85.02943	3.8
86.10271	1.2
87.00876	19.4
89.02473	2.5
97.02962	1.9
99.00898	3.6
101.02448	3.2
113.02422	1.4
117.01920	2.9
125.02410	2.5
134.51987	1.1
137.09705	1.3
141.01895	3.1
159.02950	1.7
161.04562	18.4
177.03992	1.3
179.05617	98.1
180.05957	2.2
194.43179	1.1
221.06725	2.1
239.07695	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	239.1289
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
59.01378	3.8
61.98822	1.0
83.89613	0.5
87.00877	0.7
91.48845	0.5
94.04312	0.5
95.05038	1.3
98.20603	1.2
101.06091	7.9
109.06596	5.1
111.08166	5.3
116.43825	0.5
122.03766	0.6
125.09748	0.8
134.98717	0.5
135.11781	0.6
137.09711	0.9
138.06870	0.9
139.04021	13.5
151.11279	0.6
154.06360	32.2
155.06700	1.1
161.04547	1.2
167.14403	10.3
179.05627	3.9
179.10759	4.9
182.05791	3.2
185.15634	0.5
195.13902	100.0
196.14223	4.1
211.17406	0.6
223.02837	0.5
237.87779	0.5
239.12894	10.5
239.16364	0.5
240.13287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0617
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
53.22757	0.5
57.03447	1.8
59.01383	2.1
70.63266	1.6
71.01371	1.2
72.99290	0.8
75.00869	3.5
78.95898	2.2
85.02958	2.1
87.00878	100.0
88.01212	0.8
89.02434	0.8
101.02451	0.9
112.92840	0.4
117.76426	0.5
129.01950	15.1
237.06157	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	237.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	9.7
56.29389	1.2
57.03449	7.9
58.00583	3.8
59.01380	100.0
61.98816	3.9
62.82893	1.2
69.03445	1.1
71.01383	94.0
71.52216	2.0
72.99309	4.6
73.02947	39.5
75.00868	4.9
75.04518	1.3
78.36539	1.0
81.27747	1.1
83.01389	18.1
85.02950	58.6
87.00880	12.1
89.02446	30.4
95.01414	5.8
97.02922	1.5
99.00883	17.3
101.02443	91.0
102.02741	1.4
103.04029	2.6
111.00912	2.7
112.98832	1.5
113.02454	38.5
119.03481	4.8
125.02483	1.7
127.03977	1.4
129.01978	2.6
143.03481	2.5
145.05022	1.7
146.08253	1.5
159.03003	9.5
161.04550	45.8
163.06146	2.6
205.03561	1.2
237.09789	49.6
238.07478	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	237.1496
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
50.47044	1.2
53.03399	1.2
56.79586	1.3
57.03454	1.5
59.01380	48.3
61.98818	5.8
69.03460	21.2
69.19264	12.2
71.01370	1.5
72.31689	1.3
85.02989	1.4
97.06594	46.6
98.20663	3.0
103.35863	1.3
121.10223	8.3
123.08166	57.0
139.07666	8.9
147.11806	11.6
167.07115	8.0
175.14896	9.4
179.10727	4.5
193.15977	3.9
200.06892	1.4
219.13911	6.6
237.14948	100.0
238.15291	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	239.0561
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
54.67241	0.9
57.03442	2.5
59.01377	26.2
61.98825	0.9
62.97584	0.8
68.78756	0.8
69.03455	0.9
71.01382	1.5
71.22885	1.1
73.02909	2.0
85.02949	1.2
87.00869	11.8
89.83010	0.8
91.01885	1.1
92.98392	1.1
93.03451	3.0
95.01415	1.2
97.02962	1.9
99.00876	1.8
106.04242	3.4
107.04297	1.5
107.05025	24.6
108.02173	1.9
109.02898	1.3
112.42882	0.9
117.01987	1.1
121.02979	5.0
123.00863	0.8
123.60229	0.8
125.02399	1.8
131.05008	1.0
133.02927	0.8
133.06602	11.4
135.04533	3.6
137.09723	4.1
149.06070	32.1
150.03244	4.6
150.06447	1.2
151.04005	1.7
161.04617	4.1
161.19127	0.9
165.05501	1.5
167.03439	2.4
177.05560	39.7
177.09114	1.5
178.05891	1.2
178.98340	1.1
179.03484	62.5
179.05586	26.0
180.03935	1.7
195.06610	5.5
195.08147	0.8
195.10268	2.0
209.04515	2.2
221.04498	4.0
223.02852	1.9
239.05600	100.0
239.12772	6.1
240.05916	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	235.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17115	0.7
59.01389	1.4
61.98839	0.8
69.57926	4.0
71.01382	1.8
72.99310	36.3
74.88669	0.9
77.22210	0.7
79.44611	0.7
91.05527	6.7
99.00924	0.8
117.07108	8.6
119.05027	5.9
129.07108	29.5
133.06522	0.9
135.67050	0.7
143.04973	1.9
145.06598	15.2
147.08206	1.1
161.06055	3.6
163.04076	0.9
167.51782	0.8
173.06073	100.0
174.06398	5.4
189.05553	9.0
191.07137	14.7
207.06606	1.5
217.05057	25.6
218.05354	0.8
235.06102	32.1
235.07968	1.2
236.06444	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.68546	3.5
61.98837	30.7
70.17486	12.0
71.01369	9.0
72.30768	4.3
79.95731	5.1
85.02932	5.9
86.47451	3.7
87.00850	4.6
91.01883	3.7
94.02953	8.1
99.92571	6.5
113.02472	4.0
119.01376	6.3
119.05043	6.6
134.89471	36.8
135.00879	6.9
163.00354	7.9
189.16512	28.9
190.99864	6.6
191.03477	4.2
199.29895	4.8
199.85094	37.6
207.95210	5.9
234.81934	16.4
235.02563	4.9
235.05914	4.9
235.09940	5.6
235.13165	8.2
235.15300	17.6
235.17372	27.4
235.81969	4.7
236.10646	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	236.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64089	0.2
59.01378	0.8
59.70181	0.2
61.98838	1.7
69.44565	1.5
71.01407	0.3
72.86114	0.2
79.95755	0.2
94.02970	0.2
134.03706	0.4
135.04578	0.2
136.05266	0.4
139.68658	0.2
148.05302	6.8
149.06082	0.4
149.09712	0.7
162.06879	0.4
162.97218	0.2
164.96449	0.3
168.49223	0.2
175.07637	0.4
176.08475	0.7
177.09210	34.5
178.09586	1.2
179.33763	0.2
180.07925	0.3
190.09990	1.5
191.10765	0.9
192.11559	28.3
193.11929	1.2
198.90276	0.2
201.09198	0.6
203.07066	0.4
206.09642	0.3
208.14430	0.2
211.53984	0.2
217.08688	2.4
218.09477	7.6
219.09830	0.4
236.10532	100.0
237.10925	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	235.0611
Annotation	Orthosporin
Peak:m/z	Relative Intensity
59.68249	0.7
63.51503	1.0
69.58089	4.7
71.01358	1.2
72.99310	38.6
73.02946	0.9
91.05537	9.5
99.00871	2.0
115.05528	0.9
117.07111	10.4
119.05019	7.0
127.08944	0.8
129.07106	32.1
130.07452	1.1
133.06544	1.1
135.04558	1.1
143.05058	1.8
145.06595	12.7
147.08182	1.5
161.06123	2.1
173.06068	100.0
174.06424	5.3
189.05577	9.0
191.07149	14.7
207.06546	2.2
217.05034	24.8
218.05365	2.5
235.03717	1.5
235.06107	32.1
236.06442	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	235.0611
Annotation	CHEBI:67765
Peak:m/z	Relative Intensity
58.00583	4.1
59.01374	8.0
61.98807	2.0
69.03458	5.1
71.01378	3.9
71.52971	1.4
71.53349	1.3
72.99303	5.4
73.02914	1.9
81.65670	0.9
83.19344	1.2
85.02947	3.9
85.93523	1.0
87.00867	1.2
91.05521	1.3
93.03460	26.8
97.02908	1.4
101.02434	1.6
108.02192	1.1
109.02889	1.1
109.79926	0.9
111.04508	1.0
115.00390	1.2
117.03472	6.1
117.07093	1.5
118.19825	0.9
118.32050	1.0
119.05033	10.1
120.04538	5.4
121.02942	4.5
123.04552	1.6
129.07114	2.7
130.04239	11.3
131.05019	3.4
132.05811	16.3
133.06610	11.1
135.04538	2.4
143.05035	22.6
145.02965	17.7
145.06595	43.9
146.06934	1.5
147.04510	6.3
148.05280	1.0
158.03717	7.5
159.04488	4.2
160.05315	2.1
161.04720	0.9
161.06068	26.4
163.04004	2.4
163.07657	57.7
164.07944	2.9
170.43413	1.0
171.04475	3.9
172.05267	3.3
173.06076	51.9
174.06439	2.7
175.03993	4.2
176.04649	0.9
187.04060	1.2
189.05565	1.8
191.07141	100.0
192.07426	3.3
200.18816	1.1
217.05066	5.0
222.32156	1.0
235.06078	9.7
235.09756	1.0
236.05609	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	235.0611
Annotation	Orthosporin
Peak:m/z	Relative Intensity
59.01375	3.0
65.79280	0.8
69.59465	1.1
69.59875	3.7
72.99309	32.2
82.94413	0.8
85.02948	0.8
87.00891	1.0
91.05530	7.5
117.03497	0.8
117.07104	11.2
119.05034	6.3
129.07106	27.1
130.07423	1.2
133.06567	1.1
135.04555	1.1
143.05028	1.5
145.06590	15.0
147.04575	1.0
147.08192	1.7
156.34268	0.8
161.06067	3.0
173.06067	100.0
174.06416	3.9
189.05580	10.9
191.07135	15.8
207.06619	1.7
209.76518	0.7
217.05049	25.2
218.05328	0.9
235.06117	34.8
236.06483	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	233.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32382	0.2
58.41764	0.2
59.01382	10.2
59.75792	0.2
59.96727	0.3
60.97531	0.4
67.01903	0.4
70.63532	0.5
70.63890	0.3
71.01387	0.4
74.99068	6.5
75.96246	0.4
78.59286	0.2
91.02226	0.7
93.00142	2.0
93.03458	1.6
98.19965	0.2
107.30905	0.2
115.92103	0.5
118.96251	1.0
134.99409	5.7
136.97333	2.0
141.07402	0.5
143.05302	1.1
149.00960	62.5
150.00929	2.0
150.98869	0.9
153.93925	0.3
159.08466	1.9
161.02231	0.3
161.06403	3.2
170.01660	0.2
173.04550	1.9
198.57951	0.2
201.04083	0.2
215.05658	0.9
217.07207	88.2
218.07352	4.7
233.10338	100.0
234.10487	5.6
234.15662	0.2
235.08365	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.061
Annotation	5,7,8-Trimethoxycoumarin
Peak:m/z	Relative Intensity
57.06223	0.8
57.91403	0.9
59.01370	3.4
60.86145	0.7
69.15200	0.7
76.32197	0.8
91.05534	59.2
92.05862	1.8
93.03465	1.4
98.19769	1.6
106.89082	0.7
106.89905	0.9
119.05011	1.2
120.99645	5.9
125.02621	0.9
133.43050	0.9
135.04503	6.3
145.06552	2.1
163.07602	4.2
191.07135	100.0
192.07480	5.2
235.06094	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	233.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89258	1.6
55.01875	2.5
57.01601	1.8
57.03445	13.5
59.01381	100.0
60.99295	2.1
67.01891	5.3
67.89909	1.9
68.99803	2.3
69.85934	7.0
71.01384	59.0
72.99317	3.7
73.02958	10.6
83.01389	13.9
85.02959	13.8
85.26665	1.4
87.00874	5.3
93.03472	5.5
99.00879	38.5
101.02419	3.7
111.00886	25.0
115.00402	2.5
129.01944	34.2
145.01454	3.4
150.53743	1.9
161.02438	2.7
173.00880	6.2
173.04553	5.1
233.00850	2.1
233.02936	1.9
233.15428	6.6
234.09961	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	233.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.6
57.03455	15.2
59.01379	100.0
62.61940	2.1
67.01878	5.8
68.99813	2.9
70.63334	4.8
70.63682	2.6
71.01019	3.1
71.01387	59.5
73.02936	9.2
83.01388	14.8
84.09077	2.3
85.02951	13.1
87.00893	3.3
89.82608	2.1
93.03462	2.5
94.02013	1.9
99.00880	39.6
101.02431	4.8
105.06178	2.2
111.00884	25.2
122.33083	2.1
126.71832	1.9
129.01939	39.9
145.01404	4.1
173.00841	6.3
173.85432	2.6
194.42754	2.2
233.15468	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	233.0818
Annotation	Vidalenolone
Peak:m/z	Relative Intensity
53.50240	0.5
57.03443	0.6
59.01379	39.7
61.98829	0.6
63.02395	1.0
67.01888	1.3
69.03478	0.4
71.01383	1.6
71.52980	0.5
90.00410	0.4
93.03465	6.4
93.84338	0.6
111.04542	1.1
115.92088	0.8
117.03452	0.5
123.10471	0.4
145.03004	0.6
147.08224	0.4
152.98270	0.7
160.98793	0.7
161.02431	1.2
173.04526	7.9
176.01207	0.5
188.98354	0.8
189.01813	0.8
189.09152	0.9
189.12807	0.6
201.34416	0.4
203.03505	26.4
204.04260	25.8
205.04845	1.6
218.05838	1.3
233.08179	100.0
233.15440	22.6
234.08514	4.6
234.15816	1.2
236.03267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.16
Annotation	3,12-dihydroxydodecanoic acid
Peak:m/z	Relative Intensity
57.03443	1.1
59.01377	3.0
69.54391	1.9
75.64818	0.3
85.02966	0.5
87.00883	0.4
87.04529	0.5
98.20672	0.3
99.00893	0.4
99.08170	0.8
126.35512	0.3
127.07659	0.4
127.11268	1.7
133.02942	0.6
142.51846	0.4
145.08694	4.3
171.10272	4.3
183.13898	0.5
187.04066	0.5
195.13797	0.3
213.14948	4.2
229.14426	2.9
231.15996	100.0
232.16367	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	232.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
59.01377	35.7
61.98828	67.1
67.01890	2.6
69.03435	2.5
70.36497	4.0
71.01378	6.4
72.99288	2.4
73.39301	1.3
82.77811	1.2
83.01403	1.8
85.02965	2.3
87.92532	3.1
93.03442	1.6
97.02943	1.8
98.31044	1.2
99.00893	3.4
111.00861	2.6
119.63074	1.2
125.02445	54.4
126.02832	2.2
127.03989	1.3
129.01923	3.4
133.02925	2.2
145.01360	1.3
161.02504	5.8
169.01418	100.0
170.01714	2.7
173.04539	5.6
188.97159	1.6
189.02045	1.9
189.97446	2.2
231.97701	2.3
232.08496	1.1
233.00951	6.1
233.02911	1.3
233.15424	9.0
251.62202	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03149	0.4
56.88358	0.4
57.67561	0.5
59.01374	1.2
68.97297	0.4
70.02977	1.2
71.01378	7.9
71.53450	0.8
73.74738	0.4
81.23793	0.5
85.02962	0.5
88.04040	100.0
88.54732	0.5
89.04402	0.8
93.03451	1.8
96.75361	0.5
96.99320	1.8
112.07691	2.5
113.06093	9.9
114.01974	8.1
115.00378	16.6
129.13437	0.4
132.03027	67.8
133.03375	1.0
137.02461	0.6
138.09138	0.6
161.17708	0.5
165.01952	0.6
173.04559	0.9
181.94270	0.5
184.09767	3.4
201.05505	0.5
210.07698	1.1
228.08771	26.0
229.09181	0.9
237.09189	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	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03446	1.1
59.01369	0.4
61.98833	0.3
63.10729	0.3
69.45708	2.1
71.05040	0.5
83.05030	0.7
85.02944	1.2
87.00884	0.3
97.06563	0.4
110.59166	0.3
123.08191	0.3
125.09736	2.3
127.11292	4.3
133.02959	0.5
142.01633	1.1
155.14432	1.6
165.12834	0.8
167.14430	1.2
171.10307	4.0
183.13889	1.1
185.11821	1.0
201.14952	0.3
209.11835	2.6
211.13408	8.7
212.13658	0.3
229.14436	100.0
230.14766	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	230.0128
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
56.45514	0.8
57.03447	1.5
66.03497	1.1
69.44792	5.9
72.99306	2.8
73.01173	5.3
73.02926	1.0
82.02997	7.1
88.04031	1.0
92.36438	0.8
93.03462	1.0
96.04551	26.2
96.96005	3.2
97.44213	0.9
98.99104	5.7
105.28474	0.8
108.04561	25.6
109.02954	1.5
111.16243	0.9
114.00195	81.9
125.06085	1.5
130.08736	2.8
138.95399	0.9
142.03322	100.0
143.03566	2.4
143.11913	1.2
169.08777	0.9
186.02299	36.7
187.02560	1.3
187.10854	3.4
188.97112	1.3
218.67966	0.9
230.01276	96.0
230.10318	1.8
231.01497	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	227.1289
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
57.03452	0.3
59.01378	0.3
69.84674	0.9
70.18025	0.2
71.05004	0.4
80.02686	1.9
81.03465	1.5
83.01386	0.5
83.05024	6.6
84.02168	3.9
95.05027	0.8
97.06602	0.5
97.80740	0.2
98.20596	0.3
102.84795	0.2
109.06597	0.4
125.06078	0.7
125.09731	0.6
135.08156	1.0
147.11755	0.6
149.09641	0.3
153.12749	0.5
163.11288	5.5
165.12839	3.6
172.43498	0.2
181.12375	1.1
183.13878	0.7
187.17834	0.2
191.10840	1.8
199.13364	0.5
209.11821	100.0
210.12180	4.9
227.03452	0.3
227.12866	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	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
59.01365	0.5
70.90636	0.5
71.05019	0.5
80.02664	1.6
81.03463	2.0
83.05027	6.6
84.02161	4.3
92.42577	0.4
93.03432	0.5
95.04954	0.5
99.26936	0.4
114.12582	0.4
129.53183	0.4
135.08189	1.1
153.12898	0.5
163.11287	6.2
165.12857	4.4
181.12358	0.6
183.13904	1.2
191.10770	1.8
209.11821	100.0
210.12149	3.7
227.12895	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03446	0.5
59.01406	0.2
69.03432	0.3
69.36915	0.2
69.72568	0.7
111.08148	1.0
121.79124	0.1
163.11235	0.2
165.12849	19.7
166.13208	1.0
181.12323	0.3
183.13899	100.0
184.14238	4.4
191.10794	0.4
196.47328	0.2
203.44835	0.2
206.81741	0.2
209.11852	2.0
227.12886	23.6
228.13203	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.0
59.01381	100.0
60.01733	1.2
62.18627	0.5
63.39300	0.4
64.72851	0.4
64.96578	0.4
67.01868	1.0
69.03463	1.3
71.01381	0.5
81.03461	1.1
83.05041	2.2
85.02953	0.7
87.00867	0.4
93.03447	4.3
95.05055	0.9
97.02907	0.5
97.06603	1.9
107.05032	0.6
109.02940	0.6
111.04558	0.8
113.02449	1.2
119.05042	6.6
123.03298	0.7
135.08145	1.2
137.02422	1.5
137.09714	1.1
145.02933	1.6
147.08130	2.0
155.03438	1.1
163.04039	4.7
163.11311	1.5
165.09218	3.6
168.04291	5.9
168.54416	1.2
173.04500	1.9
180.10316	0.7
181.12337	2.2
181.13815	0.5
182.06163	0.9
195.03044	0.6
207.10350	1.0
210.05443	1.2
225.00427	1.1
225.07716	1.5
225.11327	42.6
226.05046	0.7
226.11696	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0926
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
69.52542	2.6
71.01382	1.7
72.99310	100.0
73.99645	1.0
75.00857	2.3
87.00903	0.7
88.04041	18.9
88.04587	0.9
95.05086	0.4
97.02927	0.5
107.05051	0.8
109.06599	0.5
111.00880	0.7
111.04515	0.5
113.06090	2.7
114.01959	1.5
115.00390	2.6
121.29936	0.4
122.03684	0.6
123.08163	0.5
125.06078	0.9
132.03027	12.1
132.56767	0.4
137.02490	0.4
137.06100	0.6
138.06827	1.5
139.07660	3.6
151.07626	3.2
152.04778	0.5
152.08453	4.2
153.09227	1.5
165.09180	5.2
165.12816	0.6
167.07137	0.8
183.13898	1.3
184.09755	1.6
195.54012	0.5
202.79909	0.4
209.08235	2.5
209.11772	0.5
227.09248	45.9
227.20160	1.1
228.08777	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	219.9775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88954	0.2
59.01379	10.5
61.98830	100.0
66.03481	0.3
69.96042	0.4
98.20561	0.3
103.92034	0.3
129.04399	0.2
146.06207	0.3
159.78056	0.2
159.97374	0.4
160.84221	2.8
161.04678	0.3
177.96675	0.7
178.98489	1.2
214.18683	0.2
219.17563	0.4
219.85551	0.6
219.97763	3.7
219.99763	0.3
220.17970	0.4
220.99609	1.2
241.63016	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0611
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
56.25608	1.2
58.04641	1.3
59.01374	1.8
69.41543	2.2
69.41953	6.4
80.00087	1.3
80.31950	1.3
81.93090	1.2
87.00887	16.5
91.05537	71.7
93.33025	1.2
117.07109	18.1
133.06602	38.3
135.04524	2.3
161.06082	56.7
162.06465	2.2
163.04012	93.7
164.04388	3.7
177.05573	1.7
179.07158	5.9
205.05125	2.4
223.06117	100.0
224.06461	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	223.0613
Annotation	Sparanone A
Peak:m/z	Relative Intensity
59.01375	1.8
59.08101	1.2
78.11926	0.9
87.00874	14.0
91.05534	50.3
117.07117	11.2
120.52436	0.9
133.06607	30.4
135.04491	2.2
159.41656	1.1
161.06082	40.9
162.06346	1.3
163.04018	65.1
164.04366	3.0
179.07138	5.1
205.04984	2.3
223.06116	100.0
224.06476	3.5
226.42403	1.1
236.08997	1.2
243.93205	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1339
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03448	1.3
58.91104	0.9
59.01380	7.0
61.98834	5.1
69.03452	5.4
69.91805	3.6
71.05011	2.7
83.02131	0.9
83.05046	1.2
85.06589	1.6
86.04245	0.9
95.05029	1.1
96.96014	1.0
97.06601	0.9
97.29591	1.0
109.06566	2.4
135.99495	1.1
149.09674	1.7
161.13364	1.3
167.10760	8.2
177.12790	1.1
179.10728	3.5
179.14426	9.3
195.13916	24.6
196.14331	1.5
205.12328	21.2
220.24319	1.0
223.13385	100.0
224.13829	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.0
69.03452	8.1
70.31897	1.8
71.01348	0.6
75.48289	0.5
85.02953	0.8
87.00877	100.0
88.52965	0.5
93.03401	0.6
105.13047	0.6
109.26617	0.6
109.82745	0.6
111.08171	5.3
115.10622	0.6
127.04030	0.7
127.07659	1.2
129.05580	55.1
130.05894	0.9
155.05962	0.8
155.07140	6.2
173.04643	1.1
173.06036	0.8
174.03151	0.8
179.45569	0.5
217.05090	1.6
217.07159	1.5
217.10674	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70662	1.2
59.01379	100.0
61.98837	7.6
66.03462	1.5
70.23218	4.4
71.02532	1.3
73.93799	1.3
80.62395	1.2
83.05006	1.5
85.02944	1.4
87.00877	1.4
98.19997	1.8
114.02547	1.3
127.67754	1.2
129.01962	1.8
159.04536	1.3
175.03981	1.9
175.11223	1.6
204.04309	2.5
219.02948	3.2
219.06677	2.3
219.10248	4.3
219.13998	9.3
219.17505	23.1
239.51083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
55.83448	0.3
57.03196	0.4
57.03449	5.1
59.00743	0.3
59.01384	4.7
63.91988	0.3
67.01903	0.4
67.05524	0.6
69.03454	1.7
70.64313	0.8
71.01380	9.2
71.05018	0.5
72.99312	5.4
81.03457	1.5
83.05029	11.1
85.02943	2.1
87.00878	100.0
88.01213	1.2
93.03462	2.4
95.01422	1.6
95.05036	1.9
96.02173	0.9
97.02950	3.7
101.26293	0.3
109.03003	1.3
109.06603	0.4
111.00883	2.9
111.04523	18.0
113.02473	1.6
113.06065	2.9
115.04019	4.0
119.05008	0.3
127.04014	14.9
128.04378	0.4
129.01938	0.9
129.05589	3.3
137.02467	1.1
137.06079	2.6
141.01926	1.8
142.96605	0.9
145.01617	0.4
145.05052	0.6
155.03502	19.7
155.07130	1.2
156.03885	0.5
157.05058	0.3
159.03018	0.6
160.97658	0.4
163.03941	0.3
171.03015	0.7
173.04570	2.5
173.08183	0.6
174.99237	1.3
181.05058	2.1
189.04001	0.4
199.02477	7.1
199.06108	2.2
217.00259	0.8
217.03525	8.0
217.06963	2.2
233.27818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.8
59.01379	11.4
69.03447	1.4
70.52927	0.4
70.53281	0.7
71.01382	10.3
71.05016	2.5
72.00906	0.5
72.11102	0.3
72.99308	0.5
73.02938	0.3
83.05004	2.2
84.04531	0.7
85.02950	0.9
87.00876	100.0
87.04513	0.5
88.01234	1.4
88.04040	13.4
93.03460	0.9
95.01388	1.0
95.05017	1.9
96.02161	1.1
96.96017	0.4
97.02947	3.3
99.04516	1.0
105.91053	0.3
109.06571	0.6
111.00909	0.9
111.04515	5.5
111.08131	0.4
112.04068	1.9
112.04755	0.3
113.02471	0.9
113.04405	1.6
113.06084	2.8
115.04027	0.6
118.02985	0.6
119.05030	0.4
127.04034	0.9
127.07645	0.5
129.01978	0.4
129.05576	2.8
132.98260	0.3
137.06064	3.0
141.01941	1.6
143.00020	0.3
145.05135	0.4
146.02463	1.8
146.08240	7.0
155.03502	2.3
155.07141	1.5
157.04973	0.3
157.08655	0.3
159.03018	0.5
173.04553	0.5
174.01929	1.6
174.03214	0.3
174.99239	2.6
175.03961	0.3
181.05055	2.0
188.89537	0.4
199.04274	0.6
199.06090	2.9
200.09268	1.1
206.73036	0.3
217.00160	2.8
217.03305	2.0
217.05232	0.8
217.06920	2.4
217.09000	0.3
217.10806	1.0
218.00938	0.6
218.10321	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	217.003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18478	0.5
53.64980	0.5
56.07737	0.4
59.01382	100.0
60.01713	0.8
60.14881	0.4
69.74720	2.2
74.50381	0.5
90.97146	1.7
98.19972	0.9
112.98647	0.4
114.45229	0.6
118.96661	1.1
132.98207	3.4
145.43814	0.5
156.99933	0.6
174.99249	28.9
175.99594	0.7
217.00294	34.5
218.00790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01705	0.7
70.36618	0.8
70.36984	1.0
72.99340	0.5
83.05054	0.6
87.00878	1.7
88.04027	0.8
90.97147	1.9
96.73389	0.4
111.04552	0.8
118.96647	0.8
127.04047	0.7
132.98190	2.8
138.66216	0.5
155.03503	1.1
162.93347	0.5
174.99243	29.3
177.61420	0.4
217.00279	36.6
218.00703	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.88764	0.3
61.98821	1.3
69.03445	1.1
70.71017	1.0
83.05046	0.4
83.83479	0.4
96.25147	0.4
165.12823	0.8
167.14435	1.2
183.13905	12.3
184.14238	0.4
193.12309	3.2
207.60641	0.4
211.13396	100.0
212.13745	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	213.1497
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
58.06977	0.2
59.01362	0.6
61.98825	0.3
69.22016	2.0
78.91745	0.2
84.80396	0.2
97.35322	0.2
137.09740	0.3
156.40811	0.2
167.14359	0.3
168.98988	0.4
176.58749	0.2
177.12833	0.5
183.13898	23.3
184.14214	0.7
195.13896	21.0
196.14224	0.9
205.19157	0.2
211.13409	0.4
213.14952	100.0
214.15311	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	215.056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50616	0.3
53.65770	0.3
55.79510	0.4
57.03441	1.5
58.23249	0.4
59.01371	1.0
59.35523	0.4
60.85239	0.4
61.98811	0.4
63.75547	0.4
65.00324	0.4
65.03960	0.4
67.01889	5.4
67.05524	1.6
69.03452	0.8
70.63865	0.8
70.64227	0.7
71.01379	0.9
71.63950	0.4
73.02937	0.9
75.18778	0.3
79.54805	0.4
80.02682	2.9
81.03485	1.9
82.38142	0.4
83.05022	2.7
85.02959	2.2
87.00876	0.9
88.04034	1.1
89.02493	0.4
93.03465	2.4
94.04195	0.4
95.01368	0.7
95.05026	100.0
96.05345	2.0
97.02965	0.9
98.00099	13.4
99.00877	1.7
99.04520	4.3
100.07668	2.1
101.06063	0.5
109.02991	1.1
111.04525	12.9
112.04017	0.4
113.02459	0.8
115.00365	0.4
122.89427	1.2
129.01889	0.8
135.04465	0.8
137.02428	0.7
139.04007	12.0
144.00891	1.8
146.25580	0.5
153.05605	1.2
155.03517	6.2
171.06613	5.6
172.09843	0.7
183.02974	10.8
184.03418	0.5
186.89714	0.9
187.06108	3.1
215.01001	20.9
215.05576	18.9
215.09125	0.9
215.12711	0.7
216.01236	1.4
216.06084	0.7
216.08818	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03456	3.5
59.01380	100.0
60.01715	1.0
61.98833	0.8
63.26529	0.4
71.29578	0.9
80.02694	0.6
81.03477	1.6
85.02999	0.7
94.02959	0.4
97.06618	3.4
104.76188	0.4
109.06579	3.7
121.02961	4.6
128.30278	0.5
149.09776	0.7
165.12866	5.7
209.11824	20.4
209.13811	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.2
61.98830	100.0
62.98542	0.1
77.82716	0.1
94.02980	0.2
95.01408	0.1
99.95194	0.1
103.92027	0.1
124.04045	0.7
137.94485	0.2
146.77049	0.1
146.93404	0.2
163.95616	0.3
164.96408	0.4
166.91150	0.2
173.95288	0.2
209.94894	39.2
210.94954	1.8
211.13336	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.082
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
55.21563	0.3
57.03447	1.1
59.01377	2.3
61.98834	9.0
65.00310	1.7
69.24870	2.3
71.01375	0.5
73.82618	0.3
74.15088	0.3
76.96722	0.3
79.92345	0.3
81.03459	13.6
82.03777	0.4
83.01402	1.7
83.05013	0.4
85.02951	1.9
93.03461	0.5
95.05006	0.4
96.69269	0.4
99.08138	2.0
101.06120	1.6
105.07112	0.4
107.01392	1.0
107.05000	0.4
108.02183	0.3
115.43774	0.3
117.16109	0.3
120.02161	0.4
121.02957	14.6
121.06536	0.5
123.08169	6.0
124.01693	0.9
124.04055	0.6
125.02459	4.8
125.06084	9.8
136.05312	1.8
136.98811	0.3
137.02437	0.3
137.06059	0.5
141.09218	1.2
147.08157	1.7
149.06026	0.4
150.06845	0.5
151.00371	1.1
151.70915	0.3
152.01141	0.3
165.09207	60.4
166.09531	2.4
167.07147	0.5
179.03484	1.1
191.01871	0.4
191.07114	2.3
194.05838	0.9
209.08185	100.0
209.94847	3.8
210.08511	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	209.1183
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
57.03459	0.8
59.01378	5.6
61.98831	88.6
63.88949	0.6
65.00323	1.6
69.41014	4.5
71.01382	2.4
72.38931	0.6
72.99321	1.0
83.01411	0.6
85.02957	5.8
89.02447	1.2
91.01881	0.9
92.99823	3.3
93.03454	3.4
94.03004	1.8
95.01413	1.4
98.19891	0.8
108.02216	0.7
109.63966	0.8
111.00892	0.8
120.02158	1.2
121.02961	70.6
122.03298	2.5
124.04047	3.4
133.26544	0.7
136.98790	2.5
137.02438	1.5
163.11357	1.0
164.94070	0.9
164.96555	0.8
164.98279	2.8
165.01917	1.1
165.05614	0.8
165.09222	1.4
165.12921	1.3
179.03613	0.8
181.04912	0.9
181.12375	1.3
191.01974	1.9
191.07030	0.7
209.00888	2.6
209.03009	1.3
209.04617	10.3
209.08347	2.4
209.11824	100.0
209.94897	34.3
209.96930	1.2
210.12175	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	209.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52504	0.2
57.03455	0.9
59.01374	1.7
63.02406	0.3
65.00327	2.3
69.63116	1.0
69.63514	0.3
71.01395	0.5
71.05016	0.4
81.03456	11.4
83.01381	1.8
83.05047	0.2
85.02953	2.0
87.89555	0.2
93.03467	0.3
95.05049	0.3
99.08159	2.2
101.06084	1.7
105.07114	0.3
107.01392	1.7
107.04995	0.3
109.06606	0.2
111.00909	0.2
121.02956	6.8
121.06595	0.8
123.08160	7.0
123.09015	0.4
124.01673	0.7
124.04086	0.4
124.24950	0.2
125.02446	4.3
125.06085	12.2
135.04477	0.6
136.05330	1.5
137.06050	0.5
141.09218	1.2
147.08171	2.9
149.06053	0.4
150.06845	0.4
151.00365	2.7
152.01111	0.3
163.07616	0.3
165.09203	45.1
166.09555	1.3
167.07115	0.6
179.03508	0.3
191.01973	0.8
191.07118	3.2
194.05823	0.3
209.08180	100.0
210.08502	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	209.0304
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
55.01870	1.7
57.03447	11.8
59.01071	0.7
59.01377	13.4
68.99809	1.7
70.32110	1.5
71.01379	24.1
72.99306	4.1
73.02926	0.6
74.99109	0.5
75.00865	5.1
83.01389	2.4
84.02164	3.3
85.02949	100.0
86.03278	1.4
87.00871	6.2
89.02442	9.2
98.20601	0.6
99.00900	0.8
101.02441	1.4
103.00365	2.1
111.00871	4.2
115.00372	1.5
124.00817	1.0
129.01939	8.0
133.01424	10.6
136.94016	0.6
141.58997	0.5
147.02989	6.1
173.00899	1.8
189.48390	0.4
191.01965	26.7
192.02220	0.5
209.03015	37.6
210.03299	0.6
220.70564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50857	0.1
57.03448	0.8
59.01375	1.3
63.02394	0.3
65.00320	2.2
67.01890	0.2
68.99810	0.1
69.42274	0.7
71.05019	0.3
80.02678	0.2
81.03457	13.5
81.07092	0.3
82.03768	0.1
82.80729	0.1
83.01389	2.3
83.05016	0.2
85.02941	0.3
95.01385	0.2
95.05025	0.1
96.02186	0.2
98.19868	0.1
99.08162	2.2
101.06095	1.9
105.07112	0.5
107.01377	2.0
107.05042	0.4
117.58539	0.1
119.08663	0.1
121.02979	0.8
121.06599	0.6
123.08163	6.6
124.01671	0.9
124.08584	0.1
124.14081	0.1
125.01522	0.2
125.02452	4.6
125.06084	14.1
126.02829	0.1
126.06361	0.2
135.04562	0.1
135.08157	0.2
136.05318	1.5
136.06284	0.2
137.06056	0.3
137.09763	0.2
141.09215	1.3
147.08162	2.6
149.06070	0.3
150.06876	0.4
150.99223	0.1
151.00356	2.6
152.01137	0.8
163.07655	0.2
165.09206	48.2
166.09520	1.5
167.07173	0.5
180.04315	0.1
191.07130	3.7
191.08897	0.2
192.07510	0.1
209.08185	100.0
210.08517	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	207.1024
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
50.55174	0.2
55.01878	1.5
55.14130	0.2
57.03434	1.2
59.01382	6.0
63.01944	0.3
63.14871	0.2
63.63395	0.2
68.40514	0.2
69.82235	1.2
70.12912	0.2
71.01392	0.5
75.00870	0.4
77.98259	0.2
79.05533	8.5
81.03460	2.3
85.02947	0.3
90.97776	0.3
99.00871	0.5
99.08178	0.8
101.02390	0.4
101.06094	0.7
105.03459	9.9
121.02969	2.7
122.03743	6.8
123.04524	42.6
124.04865	1.0
129.01932	2.3
129.63298	0.3
135.08142	0.5
137.02466	0.9
137.05974	0.3
139.11307	1.9
146.66324	0.3
147.02966	0.9
147.04573	0.3
149.02441	13.6
150.03252	1.6
163.00336	0.3
163.04099	0.4
163.11284	16.2
164.11621	0.8
165.01913	0.9
165.09155	0.5
166.33530	0.2
167.03500	0.7
177.01898	0.7
192.04243	0.6
207.10251	100.0
208.10580	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	207.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96815	0.3
54.72821	0.3
57.03448	1.1
59.01380	9.1
61.98846	0.4
69.40836	0.9
69.41249	1.6
71.01384	0.8
71.05010	0.9
75.00860	0.6
79.05530	16.5
79.95727	0.7
80.05841	0.5
81.03453	4.8
83.01369	0.7
85.02972	0.8
89.02468	0.4
99.00848	0.5
99.08134	2.1
101.06086	4.3
105.03457	2.2
109.02949	0.4
109.98795	0.3
117.01900	0.3
121.02982	0.7
122.03734	1.4
123.04526	29.4
123.08147	0.7
124.04859	0.6
129.01944	2.8
135.04460	0.4
135.08159	0.5
137.02423	0.5
137.06149	0.4
139.11295	1.8
139.23680	0.4
143.04948	0.4
144.22899	0.3
147.02985	1.3
147.04544	0.3
149.02448	2.5
151.03969	0.9
163.00310	0.5
163.07686	0.7
163.11285	31.3
164.11604	1.5
165.01971	0.6
165.09169	0.6
168.84734	0.4
177.01891	1.4
189.09236	0.4
191.07108	0.4
192.04245	1.1
205.08649	0.6
207.06772	3.2
207.10249	100.0
208.10580	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	206.0822
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02974	34.7
59.01389	1.4
69.61558	1.2
69.61947	2.0
70.02979	11.6
72.00914	4.2
76.02574	0.6
85.67140	0.6
91.05534	12.5
103.05539	2.1
147.04521	36.1
148.04910	0.9
157.63185	0.6
162.09221	1.4
164.07159	100.0
165.07516	2.7
193.48199	0.6
206.08212	46.6
207.08517	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
61.98830	100.0
63.19645	0.1
63.99247	0.1
68.16958	0.1
69.85902	0.5
69.86280	0.2
69.91930	0.1
71.01385	0.1
84.03188	0.1
84.03698	0.1
84.31290	0.1
85.02948	0.1
86.89075	0.1
94.25829	0.1
97.36036	0.1
101.89378	0.1
129.01921	0.3
147.03036	0.2
162.98480	1.1
164.96376	0.3
177.01862	0.3
192.04271	0.5
196.26732	0.1
198.16087	0.1
206.97441	10.1
207.97530	0.6
214.19994	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	207.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
59.01381	94.3
60.01698	0.9
70.64765	0.8
72.99311	6.7
87.00883	1.1
91.05481	0.7
93.03447	1.8
103.05535	4.3
119.05025	9.5
133.61612	0.9
143.04964	0.9
147.04520	100.0
148.04858	3.0
156.44800	1.0
165.05566	83.5
166.05901	1.8
173.04585	0.9
207.01173	3.3
207.10254	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0662
Annotation	Benzylsuccinate
Peak:m/z	Relative Intensity
52.18872	0.5
57.03455	3.5
59.01380	18.7
61.98809	0.5
71.01387	1.4
71.21699	0.6
71.37514	0.6
74.02473	0.6
75.00877	1.3
75.74180	0.5
79.05540	0.8
91.05534	4.2
98.00079	3.7
99.00924	0.7
101.02440	0.8
117.07093	1.7
119.05031	0.9
123.04490	1.5
129.01962	3.9
130.04254	1.8
130.86884	0.5
135.04541	1.2
145.06590	6.0
147.02995	2.1
147.04506	0.5
163.07646	100.0
164.07945	3.3
165.05597	0.8
177.01930	2.2
189.05573	7.9
192.04240	2.4
207.06621	53.7
207.10017	6.0
208.06932	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	205.0353
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
53.09441	2.1
55.01878	11.0
57.03447	3.1
59.01377	77.7
59.84611	2.3
61.98820	7.1
67.01896	4.1
68.99813	11.2
71.01382	93.1
71.52234	3.1
72.01702	2.5
72.99312	45.2
73.02946	12.3
75.00871	38.2
80.23284	2.2
83.01395	12.5
85.02940	12.4
85.06605	3.4
87.00875	52.3
89.02442	6.3
90.80341	2.1
96.99303	6.6
97.06546	3.3
98.00038	2.9
99.00880	40.1
99.04482	3.9
101.02454	13.2
103.00371	8.3
111.00887	24.6
112.98788	17.8
115.00374	100.0
117.01943	20.4
119.48433	2.6
124.98826	14.8
125.02413	9.6
127.00362	8.9
127.24706	2.5
129.01949	16.3
142.99863	24.2
143.07121	4.3
145.01437	20.7
154.99834	15.4
161.04295	3.0
161.55685	2.1
173.00905	7.1
175.02446	14.9
187.02458	3.1
187.06097	10.1
187.07724	2.5
205.03534	11.6
205.07121	2.9
205.09061	6.1
205.15909	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	205.1597
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
56.20562	0.1
56.34483	0.2
59.01383	1.1
61.98814	0.5
68.99803	0.1
70.07029	0.1
71.00196	0.3
71.01391	0.9
72.99300	0.5
73.02930	0.2
75.00864	0.2
80.07024	0.2
83.01381	0.2
86.09592	0.1
87.00857	0.4
89.99825	0.2
93.13838	0.1
99.00877	0.6
99.05311	0.1
115.00387	0.7
118.03010	0.1
124.98804	0.3
133.02960	0.2
142.57269	0.1
142.99873	0.4
161.02443	0.6
162.89355	0.3
177.01936	0.2
189.12851	1.5
205.01567	0.3
205.15970	100.0
206.14360	0.2
206.16313	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	206.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64421	0.5
58.02976	33.8
59.01381	1.7
60.49977	0.6
70.02979	11.8
70.27624	1.9
72.00914	5.6
91.05529	11.6
103.05548	2.0
126.00111	0.6
135.04492	0.8
137.04222	0.6
147.04526	35.1
148.04890	1.4
162.09300	0.9
164.07164	100.0
165.07489	2.9
206.08214	43.2
207.08543	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	203.0826
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
59.01376	1.8
59.58217	0.7
61.01102	0.8
69.87244	3.3
72.00910	24.8
74.02477	30.6
116.05066	100.0
117.05404	3.1
129.05902	0.8
130.06642	3.4
132.08234	0.7
142.06616	27.8
143.06956	0.8
157.07738	1.3
159.09283	19.8
161.04831	0.9
161.18550	0.8
186.05588	4.4
203.08258	75.2
204.08577	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	203.9998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03191	0.1
59.01376	3.6
60.01708	1.5
61.01821	0.5
61.98829	100.0
62.98546	0.2
87.43346	0.1
93.96647	0.1
102.95496	0.1
141.88028	0.1
159.03419	0.1
160.03687	0.2
162.01764	0.1
200.61182	0.1
203.98183	0.2
203.99953	1.1
204.02617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55644	2.0
55.01871	10.5
57.03436	4.2
57.40175	2.1
58.00594	4.0
59.01379	78.1
60.99303	2.5
67.01881	2.3
68.99831	10.5
71.01379	81.0
72.99310	41.3
73.02940	11.5
75.00873	33.8
75.50845	2.1
82.03461	2.3
83.01377	8.7
85.02937	6.0
87.00875	44.3
88.98797	3.2
89.02425	7.7
96.99323	6.3
99.00878	35.4
101.02439	9.4
103.00376	8.4
111.00884	27.4
112.98799	7.5
113.02469	2.6
115.00369	100.0
115.04096	3.2
116.00824	2.4
117.01949	14.3
121.96311	2.7
124.98816	12.7
125.02422	6.8
126.58720	2.0
127.00372	10.1
129.01944	17.2
142.99861	21.0
145.01428	20.6
146.40306	2.1
154.99889	14.3
157.01460	3.4
161.04439	3.0
169.01469	2.8
169.23489	2.3
173.00974	5.7
175.02444	7.5
183.14067	2.1
205.03511	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	203.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46539	0.5
55.01867	0.7
55.85687	0.6
57.03448	0.8
59.01378	3.4
69.03491	0.5
70.24048	0.6
70.64125	1.5
71.01369	2.1
71.05023	0.5
72.99317	1.1
75.00880	2.0
78.16556	0.5
80.41492	0.5
80.99810	0.5
83.01420	0.6
85.06598	0.8
87.00877	100.0
87.04527	1.4
88.01225	1.0
95.05035	1.0
97.06590	13.2
98.00116	3.0
98.64473	0.6
99.00874	1.5
99.04541	0.6
99.24289	0.5
103.92039	1.6
112.98836	2.7
113.02451	2.1
113.06050	1.3
115.04014	50.1
116.04395	1.0
129.04106	0.6
131.03508	1.7
139.04025	0.6
140.04793	0.9
140.98254	2.6
141.05585	12.4
145.01389	0.6
147.04474	0.7
159.03210	1.3
160.04050	4.3
173.00856	1.2
175.04012	1.2
185.04517	2.6
202.93953	0.6
203.01894	0.8
203.03520	2.7
203.05635	2.6
204.04274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00412	0.5
59.01375	2.3
66.20154	0.6
69.03464	1.8
69.57102	2.2
69.57507	1.2
71.01378	1.3
71.05030	0.5
72.99298	1.0
73.34364	0.5
76.83069	0.5
85.06602	1.1
87.00877	100.0
87.04505	1.6
88.01239	0.6
97.02980	1.0
97.06598	12.3
98.00087	2.3
99.04494	0.6
113.02441	0.9
113.06083	1.6
115.04015	53.2
116.04301	0.6
136.21187	0.5
140.04799	1.0
141.01968	0.8
141.05592	14.0
143.07100	1.5
159.03247	1.2
160.04037	3.6
161.08174	1.8
185.04567	4.6
186.04916	0.5
186.07732	0.8
199.18069	0.5
203.01947	0.9
203.05614	3.7
210.84515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03434	1.4
59.01372	1.8
69.03448	2.1
71.05013	1.1
71.53677	0.6
72.99309	28.2
81.35719	0.5
83.05015	0.9
85.06583	0.7
107.08672	3.5
109.06574	0.6
111.04463	0.5
113.06075	1.0
121.10244	1.6
125.09717	3.9
127.11263	1.7
135.08145	0.9
137.09735	1.7
139.11278	3.9
145.02959	0.6
155.10780	10.3
157.08708	0.5
165.09213	0.6
183.10262	41.0
184.10611	1.7
197.41693	0.5
201.01999	0.8
201.11320	100.0
202.11621	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	201.1133
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
52.22033	0.6
54.85783	0.5
55.12869	0.5
57.03447	7.0
59.01389	1.7
59.68178	0.5
65.11035	0.6
66.63938	0.5
67.76669	0.5
69.03471	1.0
69.22763	5.1
71.05029	0.5
75.75571	0.5
83.05041	0.6
98.20663	1.3
104.89193	0.6
111.08164	4.9
113.06071	0.7
134.64987	0.5
137.09708	1.8
139.11292	96.2
140.11610	2.8
157.12360	1.2
179.81400	0.6
183.10262	47.6
184.10675	1.4
201.11319	100.0
202.11632	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	201.0769
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
55.01867	1.7
57.03447	4.4
59.01380	7.8
62.91801	0.7
68.89465	0.9
69.03468	3.8
69.85726	3.7
71.01385	1.0
71.05032	1.1
72.99311	22.7
83.05006	1.2
85.02986	1.2
85.06625	1.2
87.04519	1.3
93.03437	0.8
95.01347	1.3
95.05013	3.2
95.08636	0.8
97.06569	1.8
98.00123	0.9
99.08164	7.6
111.04475	0.8
111.08161	36.0
111.35734	0.8
112.65254	0.9
113.02464	0.9
113.06097	7.8
113.09747	7.1
115.05530	2.4
115.52097	0.8
117.03452	1.5
127.05520	1.0
127.07644	6.2
129.05557	3.8
129.07079	1.1
130.04213	3.3
131.05003	2.1
139.04013	1.2
139.07651	32.4
140.07990	1.0
143.04990	1.3
144.05827	1.4
145.02928	2.1
145.06557	7.7
154.21460	0.8
155.05045	3.6
155.07141	16.2
156.05763	1.1
157.05132	1.6
157.06560	5.3
157.08701	48.5
158.02563	1.2
158.03754	17.1
158.06039	1.4
158.08963	1.1
159.04523	26.0
160.05322	4.8
161.02396	1.0
163.03946	1.2
171.04475	2.8
172.05307	9.6
173.02397	3.7
173.06071	31.6
173.08238	2.0
174.06450	1.4
182.03751	7.3
183.03108	2.1
183.04494	37.0
183.06596	36.9
183.07921	0.9
184.04970	1.9
184.06964	1.0
186.03220	1.9
187.03966	2.6
199.03951	3.6
200.04764	4.3
201.01790	4.3
201.04164	7.7
201.05548	100.0
201.07623	31.3
201.09348	3.2
201.11191	7.7
202.06247	12.4
202.08080	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	201.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.8
59.01380	100.0
65.89983	1.0
68.09968	0.9
70.91682	1.9
72.99292	1.5
80.93939	0.9
85.02929	2.6
87.00874	2.0
95.05035	6.8
98.00086	3.6
112.65208	0.9
112.66011	1.1
113.06087	25.4
114.98886	1.0
117.00433	1.1
126.98866	2.7
129.05562	1.7
132.98250	0.9
139.04057	1.7
142.96603	2.9
157.03548	7.7
157.05042	5.0
159.01440	2.6
160.02252	1.1
171.81039	1.1
173.04529	2.7
183.02925	9.0
184.97630	4.2
201.00732	2.0
201.02477	12.3
201.04059	24.3
202.98767	3.6
204.96356	1.0
219.01848	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	201.0405
Annotation	cis-(Homo)2-aconitate
Peak:m/z	Relative Intensity
53.04461	1.0
57.03439	4.0
58.02996	1.0
59.01389	7.5
59.09671	1.1
69.03450	4.0
71.01373	2.0
71.52205	1.3
82.99600	2.7
83.05045	2.6
85.02944	2.6
87.00883	6.7
89.19141	1.2
93.03488	1.3
95.01384	4.5
95.05029	22.5
98.00117	6.4
99.00883	2.7
108.29180	1.0
111.00937	1.4
111.04533	2.3
111.08134	1.5
113.02493	5.6
113.06089	100.0
114.06429	2.2
116.07171	1.8
129.05589	12.7
139.00378	3.4
139.04018	81.3
140.04404	2.7
142.05055	2.3
157.05054	25.3
157.06267	2.2
157.08667	3.1
159.06596	2.2
173.04532	10.4
183.03012	22.1
183.06451	1.3
186.93549	1.1
201.04044	92.8
201.07584	9.0
201.11377	1.2
202.07178	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	199.0976
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
50.79498	0.2
55.33109	0.3
59.01378	1.0
67.42799	0.2
69.33227	2.0
69.36032	0.3
71.01389	0.3
73.02936	0.3
83.05023	0.5
85.12994	0.3
85.63598	0.3
98.19908	0.4
137.09712	5.4
143.41740	0.2
147.17532	0.2
155.10779	100.0
156.11092	3.3
181.08699	1.0
185.59276	0.3
199.09750	9.4
199.13464	0.3
210.62016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49736	0.2
58.50567	0.3
59.01379	100.0
60.01723	0.8
66.04850	0.3
69.74754	1.4
97.29108	0.3
110.20819	0.3
113.04591	0.4
124.66681	0.3
157.03555	7.3
159.01448	1.5
161.03676	0.3
177.33995	0.3
201.02542	17.4
202.02748	0.8
204.41948	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.8
59.01380	100.0
65.89983	1.0
68.09968	0.9
70.91682	1.9
72.99292	1.5
80.93939	0.9
85.02929	2.6
87.00874	2.0
95.05035	6.8
98.00086	3.6
112.65208	0.9
112.66011	1.1
113.06087	25.4
114.98886	1.0
117.00433	1.1
126.98866	2.7
129.05562	1.7
132.98250	0.9
139.04057	1.7
142.96603	2.9
157.03548	7.7
157.05042	5.0
159.01440	2.6
160.02252	1.1
171.81039	1.1
173.04529	2.7
183.02925	9.0
184.97630	4.2
201.00732	2.0
201.02477	12.3
201.04059	24.3
202.98767	3.6
204.96356	1.0
219.01848	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	197.1547
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
54.02064	0.5
57.03453	2.8
61.98830	5.9
62.03297	0.5
65.00322	0.6
69.03457	1.5
69.41273	4.1
71.01381	0.5
71.05012	1.2
80.02695	1.0
81.03453	2.5
83.05030	11.7
85.06583	1.4
95.01388	3.0
95.05022	4.6
97.06590	22.9
98.19938	1.0
103.97669	1.0
107.01373	0.7
109.02935	1.4
109.06614	2.6
111.07393	1.1
111.08169	21.6
112.08527	0.5
112.98545	0.7
116.92873	4.3
121.02968	2.6
123.00904	9.5
123.08184	1.0
125.02414	1.3
125.06065	1.1
126.90517	4.0
135.08099	0.5
137.09729	1.1
138.03235	1.8
147.11864	2.6
149.09793	0.7
153.01984	1.3
153.05583	2.0
153.09241	0.7
153.12842	2.1
160.84262	2.6
162.83932	7.5
163.11296	6.7
165.12849	100.0
166.13225	3.5
166.99867	7.4
178.99802	1.3
182.02213	16.9
196.91124	1.0
197.00867	0.7
197.04559	5.8
197.06245	0.7
197.08133	1.2
197.11784	2.7
197.15488	1.5
197.80840	3.6
209.11815	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	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01364	0.8
61.98823	2.3
66.31874	0.5
69.03462	1.1
70.89741	0.9
70.90054	0.4
71.05025	1.1
74.35773	0.4
75.00922	0.4
93.52300	0.6
95.01396	1.2
97.06587	12.8
99.08158	4.4
101.27814	0.4
103.97692	0.6
106.21085	0.5
109.06598	0.6
116.92865	1.8
119.32857	0.5
121.02974	1.5
121.75233	0.5
122.03754	1.7
123.00885	5.4
125.06055	0.5
125.09751	0.5
126.03258	1.1
126.90524	1.6
129.35181	0.4
135.11797	0.5
137.09695	2.0
138.03195	1.3
151.11259	1.2
153.02007	0.6
153.05600	1.1
153.12848	100.0
154.13196	3.0
160.84305	0.6
162.83914	1.4
164.39813	0.4
166.99855	4.1
179.10771	22.1
180.11110	0.8
182.02180	8.5
182.03741	0.5
197.02463	0.5
197.02744	0.6
197.04559	4.3
197.08147	0.5
197.11812	10.0
197.80756	1.0
202.48900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.9947
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96239	25.6
65.00314	1.3
67.17719	0.5
69.83174	3.4
72.99312	27.3
73.98315	5.7
74.99088	1.1
77.69260	0.6
79.95749	0.6
80.96506	1.0
87.00872	3.3
98.20018	0.8
108.97879	1.1
117.97318	23.0
121.02966	5.7
123.00875	1.1
125.02429	3.1
126.98895	0.8
135.98361	100.0
136.98767	1.1
137.02448	0.8
151.00418	0.7
153.01894	1.0
153.05579	1.0
154.05095	1.7
166.99837	1.1
178.47903	0.6
178.98430	3.7
182.02199	2.5
196.99467	11.5
197.04543	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	196.9947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63777	0.6
55.57080	0.7
57.03440	2.3
59.01366	0.7
60.51184	0.6
60.97540	0.7
63.96241	26.0
71.01368	0.8
71.52082	0.9
72.99308	24.6
73.98309	5.8
74.99099	0.9
80.96519	1.7
81.97893	0.7
83.01380	1.1
87.00880	2.3
95.01384	1.0
95.05010	0.8
100.11910	0.6
108.97927	0.8
109.02990	0.7
111.04548	1.3
117.97314	21.9
121.02947	2.0
123.00909	1.6
125.00998	1.3
125.02441	16.5
126.98841	0.7
130.90842	0.7
135.04529	0.7
135.98361	100.0
137.02440	3.7
138.03188	1.0
141.97505	0.7
151.04065	2.1
153.05614	1.0
154.05092	2.2
166.99898	1.5
178.98413	3.8
179.03549	1.9
180.98521	0.7
182.02261	3.8
196.99518	13.2
197.04544	7.0
197.11819	0.9
208.60571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0717
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
55.01879	5.7
57.03441	5.2
58.00596	2.9
59.01377	31.8
63.23114	1.6
67.25260	1.7
68.99803	2.4
69.03457	17.1
70.45502	1.9
70.56253	5.7
70.56606	2.1
71.01380	48.2
71.01775	2.7
72.99313	4.5
73.02943	53.0
75.00887	3.0
77.00230	1.8
78.69205	2.2
79.01891	4.1
79.97826	1.9
81.03463	3.9
83.01393	19.1
85.02947	59.6
86.00085	9.3
87.00871	43.7
89.02429	2.4
95.01393	10.5
97.02948	25.6
99.00878	52.9
101.02438	65.9
103.00375	3.1
107.01398	2.1
111.00882	3.4
112.01633	3.2
113.02450	13.6
115.04044	2.4
117.01937	2.4
122.95203	2.0
123.00878	5.1
124.01659	3.3
125.02455	21.0
127.04050	2.2
129.02002	2.0
134.03754	3.0
140.01164	5.9
141.01917	19.8
142.02740	4.0
155.03491	13.0
159.02998	6.3
161.04549	100.0
161.94704	1.6
162.04909	1.9
175.06090	6.3
178.02795	3.6
191.05624	3.2
193.07193	83.0
194.07643	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	193.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88848	1.4
55.01875	6.8
57.03447	5.4
58.00593	3.2
59.01376	28.8
62.90187	1.5
65.58044	1.6
68.99825	2.4
69.03465	15.1
70.20747	2.7
70.21134	3.2
71.01382	39.5
72.99320	8.5
73.02946	46.5
75.00901	2.1
79.01926	4.0
81.03478	4.9
83.01400	19.1
83.17522	1.5
84.02148	1.8
85.02950	51.8
86.00101	5.8
87.00875	42.3
89.02448	5.3
91.75700	1.7
95.01398	8.8
97.02957	22.5
99.00886	34.9
101.02448	64.2
103.00362	2.3
107.01409	2.1
111.00882	2.9
112.01689	3.4
113.02449	11.4
115.04022	2.6
117.01942	2.3
123.00901	5.3
125.02457	15.6
127.03996	2.5
129.01941	2.5
131.03535	1.9
134.03741	1.8
140.01176	5.6
141.01953	17.9
142.02765	2.4
151.57916	1.5
155.03535	12.4
159.02995	3.9
161.04558	100.0
173.04556	2.6
175.06171	7.5
191.05615	2.7
193.07210	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88848	1.4
55.01875	6.8
57.03447	5.4
58.00593	3.2
59.01376	28.8
62.90187	1.5
65.58044	1.6
68.99825	2.4
69.03465	15.1
70.20747	2.7
70.21134	3.2
71.01382	39.5
72.99320	8.5
73.02946	46.5
75.00901	2.1
79.01926	4.0
81.03478	4.9
83.01400	19.1
83.17522	1.5
84.02148	1.8
85.02950	51.8
86.00101	5.8
87.00875	42.3
89.02448	5.3
91.75700	1.7
95.01398	8.8
97.02957	22.5
99.00886	34.9
101.02448	64.2
103.00362	2.3
107.01409	2.1
111.00882	2.9
112.01689	3.4
113.02449	11.4
115.04022	2.6
117.01942	2.3
123.00901	5.3
125.02457	15.6
127.03996	2.5
129.01941	2.5
131.03535	1.9
134.03741	1.8
140.01176	5.6
141.01953	17.9
142.02765	2.4
151.57916	1.5
155.03535	12.4
159.02995	3.9
161.04558	100.0
173.04556	2.6
175.06171	7.5
191.05615	2.7
193.07210	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03452	0.5
59.01382	2.2
60.99313	0.2
66.35047	0.2
67.01879	0.6
69.03432	0.2
70.13345	0.6
71.01376	1.0
73.02963	0.3
73.84073	0.2
74.63964	0.2
81.03466	0.6
83.01404	0.2
83.05038	0.4
85.02953	12.5
86.03265	0.2
87.00880	3.9
93.03462	4.1
99.00870	0.4
99.04515	0.5
101.02448	0.2
103.00376	5.8
109.02956	0.9
111.00880	1.9
111.04520	1.3
127.04005	3.1
129.01927	0.9
143.03537	0.2
171.03021	0.9
173.00893	0.4
173.04535	1.6
187.88400	0.2
191.05614	100.0
192.05936	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	191.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
57.03448	4.4
58.00595	0.3
59.01377	9.6
59.14883	0.3
63.48434	0.3
67.01887	3.3
67.70599	0.3
69.03460	0.9
70.71339	0.6
70.71712	0.7
71.01389	3.3
71.04985	0.4
72.99308	0.9
73.02942	1.4
75.00864	0.8
81.03466	0.8
83.01385	0.9
83.05027	1.1
84.02189	0.4
85.02951	37.9
85.30537	0.3
86.03281	0.4
87.00877	14.7
93.03454	7.8
99.00885	2.6
99.04512	0.9
101.02474	0.7
103.00372	29.5
109.02966	1.9
109.25669	0.3
111.00877	15.5
111.04507	2.6
112.98798	0.7
113.02455	0.5
127.04004	4.9
127.19843	0.3
128.04391	0.4
129.01953	4.8
129.05592	0.4
133.09790	0.3
137.02422	0.5
142.67084	0.3
144.58929	0.3
155.03484	0.5
171.02977	1.3
173.00919	2.2
173.04536	1.7
191.02061	5.3
191.05609	100.0
192.05991	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	191.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03447	8.3
57.62999	0.4
59.01379	11.4
67.01896	2.7
69.03427	0.7
70.70181	1.1
71.01385	3.6
72.99316	1.6
73.02950	1.8
75.00882	1.5
81.03452	0.8
83.01381	0.9
83.05024	1.3
83.33522	0.5
84.02181	1.0
85.02951	61.8
86.03302	1.3
87.00336	0.9
87.00874	17.7
93.03465	6.5
99.00871	2.7
99.04534	1.5
101.02434	0.7
102.76962	0.4
103.00372	32.4
109.02982	1.3
111.00880	22.8
111.04499	2.7
117.12556	0.4
127.04018	4.4
129.01947	6.0
147.03011	0.8
162.41087	0.5
163.59959	0.4
171.03020	1.4
173.00922	1.6
173.04555	3.1
176.00876	0.4
191.02014	7.3
191.05605	100.0
192.05942	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	191.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03460	4.9
59.01373	12.3
67.01885	3.5
69.65699	0.8
69.99836	3.6
71.01371	3.3
72.15854	0.8
72.99310	1.1
73.02956	2.4
75.00868	1.1
81.03460	0.9
81.76161	0.8
83.01364	1.2
85.02948	33.5
85.99718	0.8
86.10297	0.7
87.00877	17.8
91.30701	0.8
93.03445	6.0
99.00878	4.3
99.04511	0.9
101.02433	1.5
103.00370	32.6
109.02909	1.2
111.00878	25.8
111.04505	2.1
112.98814	0.9
125.17677	0.8
125.98997	0.9
127.03996	3.5
129.01942	8.4
129.90045	0.7
158.65399	0.8
171.02954	1.5
173.00865	2.2
173.04529	1.9
191.02057	6.5
191.05603	100.0
192.05969	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0351
Annotation	Pisonin F
Peak:m/z	Relative Intensity
59.01381	9.0
69.64167	1.8
71.01380	0.4
73.02957	1.1
85.02933	2.3
87.00877	1.8
93.03442	0.5
98.20657	0.5
99.41962	0.3
103.00377	1.0
111.00898	2.5
119.05019	1.2
121.02961	100.0
122.03291	2.5
131.03543	1.5
133.61488	0.3
147.04515	5.4
156.40599	0.3
157.64488	0.3
163.04015	0.6
191.02019	0.4
191.03508	10.0
191.05602	5.3
191.07187	0.6
192.03976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0353
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
59.01365	0.3
65.99834	0.2
70.67027	0.5
77.83708	0.2
79.95344	0.2
80.51979	0.2
83.10159	0.2
102.03484	0.4
111.46545	0.2
116.05089	0.2
123.30453	0.2
137.41971	0.2
144.04550	100.0
145.04900	3.4
159.03276	1.2
188.03537	4.6
195.00134	0.2
199.01871	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0405
Annotation	4-Hydroxy-2-oxo-heptanedioate
Peak:m/z	Relative Intensity
54.79717	0.5
57.03447	3.2
59.01366	1.4
66.65511	0.4
67.01882	0.4
69.03455	6.9
70.71941	0.3
70.99943	0.8
71.05016	0.5
72.99306	0.8
83.05048	0.5
85.02952	7.8
86.35468	0.4
87.00877	100.0
88.01215	1.1
101.02446	4.0
102.59856	0.4
102.96217	0.4
111.00874	2.0
112.01669	1.1
113.02452	8.3
129.01950	1.1
132.98256	0.4
143.03508	2.2
157.01427	1.3
161.04559	2.4
189.04063	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	189.0769
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
57.95094	0.5
58.67212	0.5
59.01371	2.9
62.75466	0.5
69.23947	4.6
69.24249	0.6
71.05034	4.2
91.59559	0.6
99.08159	34.6
100.08511	0.8
101.06123	0.8
107.73697	0.6
127.07655	35.8
128.08072	0.8
129.05585	100.0
130.05910	1.7
133.11024	0.6
143.07159	0.6
145.08730	5.8
157.17189	0.6
171.06650	6.8
189.07689	61.0
190.08052	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0612
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
54.81739	1.3
57.03445	1.5
59.01109	1.4
59.01363	7.1
61.98816	2.1
67.54467	1.1
71.01382	5.7
71.05019	3.4
72.99309	37.6
78.67859	1.3
81.07115	2.2
83.01395	1.6
83.05046	2.7
85.02895	1.4
85.06590	18.5
87.92538	1.3
90.97117	1.2
95.04996	3.9
96.99355	1.5
97.02969	6.8
97.06590	77.9
98.06907	1.8
99.00883	14.4
99.08161	12.5
100.69425	1.2
101.06060	3.1
113.06070	18.2
115.04010	4.8
119.85581	1.2
124.98840	1.8
125.02435	3.0
125.06084	90.0
125.09718	9.6
126.06432	1.9
127.00356	3.5
127.04012	2.8
139.03975	3.7
141.05577	35.4
141.86810	8.4
143.07138	100.0
144.04552	5.7
144.07472	2.2
159.04518	2.2
159.06638	6.1
168.89139	1.3
169.05051	70.3
170.05502	1.6
187.02556	2.0
187.06116	68.9
187.09628	6.8
187.13371	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	187.0976
Annotation	2-methylbutyl (acetyloxy)acetate
Peak:m/z	Relative Intensity
50.72704	0.4
55.40303	0.4
55.80864	0.4
59.01379	79.1
60.01715	0.6
61.62954	0.4
69.68505	2.5
83.97918	0.4
84.58212	0.4
97.06620	0.8
97.83025	0.4
98.20605	0.8
99.08157	23.7
105.96317	0.3
125.09733	5.6
127.07652	12.3
128.07954	0.5
145.08705	100.0
146.09036	2.5
187.09753	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	187.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	2.1
53.35645	0.6
55.01878	5.8
57.03444	1.8
59.01379	9.7
61.98822	2.2
65.00329	3.5
67.01894	0.7
68.99818	3.0
69.03459	0.8
69.42973	4.8
71.01384	11.1
71.05035	1.1
72.99313	4.0
73.02934	1.1
79.99049	1.3
80.96513	0.8
80.99831	4.1
83.01389	11.5
83.05036	3.6
85.06581	3.3
87.00875	1.6
90.97130	1.1
96.99307	3.1
97.02982	0.8
97.06590	8.5
99.00880	100.0
99.04504	1.1
99.08179	1.0
100.01202	1.4
100.86507	0.5
100.98779	1.7
101.06063	1.4
108.99313	1.0
109.37895	0.6
111.00896	3.1
111.04546	1.2
111.08143	0.7
112.04060	1.1
112.98808	0.7
113.04381	1.3
113.06084	2.9
115.04034	1.4
115.05534	1.1
115.92071	0.7
122.89447	0.9
123.08201	0.9
124.98812	2.8
125.02455	1.5
125.06086	99.4
125.09711	14.3
125.99615	1.4
126.06434	2.6
127.00379	17.9
127.03162	0.8
127.04031	7.8
127.97534	1.0
129.01959	1.4
131.05023	1.2
136.98813	8.5
141.01941	2.1
141.05577	5.2
141.86841	6.9
143.07121	13.2
144.04544	2.3
154.99887	5.5
158.03755	0.9
159.04486	3.4
159.06697	0.8
159.87862	1.7
168.88937	3.1
169.01428	8.6
169.05061	5.1
173.00882	2.9
186.89850	0.7
187.02542	12.5
187.04068	4.5
187.06122	18.8
187.07793	2.0
187.09682	8.6
187.13463	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	185.1183
Annotation	Epomediol
Peak:m/z	Relative Intensity
51.12988	0.8
57.03456	0.9
59.01382	31.5
66.77137	0.6
69.03426	0.9
69.55482	1.8
69.55904	2.7
71.01377	4.6
71.05028	6.0
72.02639	0.7
84.06476	0.7
85.06593	0.8
87.04514	1.2
97.06618	1.5
98.19901	1.1
111.08172	1.8
112.98803	1.8
115.04015	95.3
115.16421	0.7
116.04362	1.5
120.09246	0.7
123.08166	1.0
139.11281	1.2
141.07098	1.0
141.09224	2.5
141.12828	0.9
149.09662	0.8
151.23241	0.7
156.94400	0.7
157.78110	0.7
167.10767	16.4
183.10249	4.4
185.06126	4.8
185.11826	100.0
186.12144	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0091
Annotation	cis,cis-3-Carboxymuconic acid
Peak:m/z	Relative Intensity
50.75801	0.6
55.01899	0.7
59.01368	1.5
59.31448	0.6
65.69114	0.6
66.53082	0.6
67.01896	5.3
69.03455	24.1
70.37003	1.9
70.37353	0.7
70.72828	0.6
71.01379	2.0
73.02943	1.5
78.95900	1.7
79.01890	5.3
83.01379	1.8
85.02970	4.0
87.00915	1.0
88.79677	0.6
95.01390	75.8
95.05063	0.8
96.01776	0.8
96.96961	2.1
97.02953	26.3
97.06585	3.0
99.00894	3.5
101.50297	0.7
110.06127	0.7
111.00893	6.4
112.04034	1.4
113.02459	2.8
113.06172	0.7
123.00887	100.0
124.01176	1.1
139.00386	7.0
140.01117	0.9
141.01941	53.9
141.05556	3.6
141.09201	2.1
142.02243	1.3
142.96637	2.5
157.95329	1.0
160.97711	1.6
166.99849	24.5
168.00255	0.8
184.97778	0.6
185.00851	4.2
185.04575	1.8
185.08171	1.2
185.11801	3.0
188.29506	0.7
202.98801	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.7
59.01365	4.9
61.98828	14.2
64.80355	1.6
65.00309	2.8
65.03955	4.1
67.01899	9.9
68.99570	79.0
69.03462	3.6
71.01375	2.2
71.51401	2.0
71.51816	1.8
71.84682	1.8
74.07097	1.5
74.55801	2.0
81.53724	1.4
83.01376	3.2
83.05017	3.5
85.02962	1.9
90.64801	1.8
92.99811	3.3
95.01385	11.5
95.05070	2.1
95.17292	1.7
97.02950	2.4
98.02525	1.6
99.00890	1.7
99.92583	2.4
107.89300	1.7
109.02904	3.1
111.00890	29.1
111.04533	2.4
111.08125	1.6
112.00407	2.3
112.04015	1.9
112.98567	100.0
115.92069	2.6
116.92856	8.0
121.06546	3.2
123.00851	3.4
123.99772	1.5
124.01680	4.4
130.52876	1.8
136.98766	5.2
137.02411	3.9
139.00372	11.9
139.03946	5.2
139.11284	2.3
140.01128	6.8
140.07170	5.3
140.37036	1.7
152.98360	2.4
164.98328	5.4
165.01921	8.8
168.00620	12.8
171.66449	1.8
174.55887	1.6
182.83679	1.7
182.92926	5.4
182.99261	7.7
183.00484	6.1
183.02986	48.2
183.06490	4.2
183.10225	8.2
183.13899	28.3
184.03357	3.7
184.06161	4.2
184.14323	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	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
50.52006	0.2
53.02258	0.2
53.10732	0.2
54.83625	0.2
55.73097	0.2
58.31528	0.2
70.04127	0.5
70.04519	0.4
77.70352	0.2
83.22729	0.2
83.98673	0.2
95.27549	0.2
108.99955	0.2
152.98395	0.3
183.02980	0.7
183.04927	2.1
183.13898	100.0
184.14244	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	183.1385
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
57.03448	0.4
67.01907	0.6
68.99559	0.7
69.03450	0.4
71.53959	0.5
84.95905	0.3
85.02935	0.4
92.99819	0.5
95.01388	1.2
111.00880	1.3
112.98543	0.9
123.00865	0.8
124.01668	0.9
139.00368	0.8
139.04022	0.6
139.07648	0.4
140.01097	0.5
140.07207	0.4
152.98289	0.5
153.00671	0.6
168.00653	1.8
183.00531	5.1
183.02946	4.6
183.13892	100.0
184.00842	0.5
184.03233	0.3
184.05937	0.4
184.14226	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	183.1389
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
56.39801	0.1
56.65108	0.2
57.03442	0.4
59.01391	0.2
65.03954	0.2
67.01879	0.5
68.99545	0.2
71.01379	0.2
71.42468	0.2
85.02915	0.2
93.03416	0.2
95.01372	0.5
98.02470	0.2
98.87479	0.1
109.48842	0.2
111.00889	1.0
111.04548	0.2
111.08141	0.1
112.04044	0.2
112.98563	0.5
121.06625	0.2
124.01665	0.5
137.02444	0.2
137.09644	0.1
139.00372	0.5
139.03999	0.3
139.11290	0.5
140.01175	0.3
152.98264	0.2
164.98325	0.4
165.01974	0.3
168.00641	1.2
183.00473	0.4
183.03000	2.7
183.13898	100.0
184.06070	0.3
184.10811	0.1
184.14247	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	183.0298
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
55.65220	0.3
55.82328	0.3
63.69322	0.3
65.00311	0.7
67.01894	0.8
68.99811	0.6
69.53548	1.5
69.53957	0.8
71.01373	0.8
72.99299	0.8
82.00594	1.2
83.01376	0.7
83.55592	0.3
95.01394	0.4
99.00852	0.4
108.80782	0.3
110.00095	0.9
111.00889	5.9
123.00884	0.9
124.01658	8.8
127.00355	2.5
136.98804	5.3
139.00366	5.4
140.01158	10.9
150.64723	0.3
151.00369	0.4
154.99898	1.1
168.00638	14.5
169.00998	0.5
183.02975	100.0
184.03317	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	179.056
Annotation	1L-chiro-Inositol
Peak:m/z	Relative Intensity
50.12638	1.0
52.17251	1.1
57.03444	1.3
58.00585	2.7
59.01379	38.4
67.79701	1.0
69.03461	2.0
69.28268	2.7
69.28688	6.1
71.01379	26.3
71.05003	2.4
72.99305	14.3
73.02941	8.6
75.00869	98.7
81.03444	5.0
83.01379	3.6
85.02948	10.6
87.00876	42.3
89.02431	14.9
90.98583	9.0
95.01383	2.4
97.02943	4.6
98.95558	1.3
99.00875	14.6
99.04527	1.2
101.02425	5.1
107.04974	1.2
113.02443	3.2
117.01947	7.4
125.02428	7.3
129.01910	1.3
135.04495	6.5
141.01921	4.6
143.03474	10.8
161.03287	2.3
161.04555	31.3
179.05600	100.0
192.57585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0458
Annotation	3,5-Dihydroxy-phenylglycine
Peak:m/z	Relative Intensity
59.01375	0.2
61.98810	0.1
65.00333	0.2
65.99863	1.0
66.03484	0.5
67.01886	0.3
69.03482	0.2
71.53436	0.3
79.05521	0.2
93.03474	0.2
94.02973	0.3
94.03811	0.2
95.01392	0.6
95.05049	0.2
96.95998	0.4
108.02146	0.2
109.02956	2.6
110.02496	0.3
111.00874	0.5
111.04534	0.2
112.98584	0.3
123.00893	0.6
123.04505	0.2
124.01670	0.2
137.02449	10.4
138.01952	0.3
138.02910	0.3
139.00351	0.4
139.03970	0.2
151.04030	2.3
152.04791	12.0
153.00647	0.2
153.05180	0.5
162.60384	0.2
164.03618	0.2
164.98250	0.2
165.02057	0.2
167.00046	0.3
167.02220	5.6
168.00635	0.4
181.06599	0.4
182.04582	100.0
182.99196	0.2
183.00645	0.2
183.03006	1.4
183.04901	2.6
183.13895	51.2
199.01227	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	182.0458
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
59.01390	0.5
66.03490	0.7
67.01909	0.6
70.01138	0.3
70.18824	0.4
70.19171	1.2
77.09100	0.3
79.95721	0.5
83.01407	0.7
83.05021	0.5
85.02949	0.4
92.05061	3.5
93.03464	0.4
94.02995	1.2
95.01382	0.7
95.03809	0.5
95.04995	0.4
96.04543	0.5
97.02947	0.4
108.04556	48.4
109.02977	0.6
109.04895	1.1
110.02485	0.4
110.03293	0.5
110.06113	1.6
111.00875	1.9
111.04508	0.8
120.04550	4.1
122.02483	1.2
122.06062	0.4
123.00906	1.3
123.03262	1.3
136.04042	0.8
138.05608	100.0
138.66426	0.4
139.00377	0.7
139.04057	0.8
139.05963	2.2
152.00729	0.5
152.03545	1.5
164.03535	0.4
166.99869	0.6
167.03032	1.0
168.00629	0.4
181.99252	0.5
182.04565	28.2
183.03017	1.2
183.04785	0.6
183.10300	0.4
192.12041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0047
Annotation	2,4-DINITROPHENOL
Peak:m/z	Relative Intensity
52.29041	0.3
54.07506	0.3
57.03436	0.6
58.18126	0.3
58.56293	0.3
59.01376	0.5
65.00324	0.5
67.01889	2.4
68.01398	0.4
68.99564	0.9
69.03435	1.4
69.27683	1.1
69.28100	1.5
71.01402	0.3
77.80927	0.3
79.01902	0.6
83.01391	0.9
83.05029	0.5
92.99823	0.4
95.01389	8.4
95.05032	0.3
97.02969	0.6
98.02491	0.6
108.02104	0.3
109.01720	0.7
109.02953	0.5
110.26547	0.3
111.00880	3.0
111.04507	0.6
112.98584	1.5
121.06606	0.6
123.00887	17.4
124.01741	0.7
125.01215	1.8
127.00349	0.4
136.98853	0.8
137.01225	0.5
137.02475	0.7
139.00337	1.8
139.04016	0.9
139.07605	0.6
139.11292	1.3
140.01173	1.3
153.00677	17.0
164.98361	1.3
165.01935	1.3
168.00627	2.7
183.00471	100.0
183.02821	9.6
183.06667	1.1
183.10243	2.8
183.13838	2.1
184.00838	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	179.056
Annotation	1L-chiro-Inositol
Peak:m/z	Relative Intensity
50.98579	0.8
54.47995	0.8
55.77962	0.9
58.00586	1.7
59.01381	29.9
69.77851	4.2
69.78204	1.5
70.39302	0.8
71.01383	19.7
71.05007	2.1
72.99307	10.9
73.02942	11.4
75.00872	100.0
81.03458	4.2
83.01389	2.5
85.02943	8.3
85.15000	0.9
87.00875	30.9
89.02451	8.8
90.98586	1.6
91.03939	0.9
95.01370	1.2
97.02950	3.7
98.19913	1.7
99.00883	9.2
99.04543	2.1
101.02438	3.9
113.02430	2.9
117.01939	5.9
117.63394	0.8
118.00748	0.8
125.01673	0.8
125.02431	5.6
129.01968	0.9
131.03535	1.1
136.93907	0.9
141.01932	2.5
143.03490	8.2
159.02985	1.9
161.03262	1.8
161.04544	25.1
179.05605	94.2
180.05984	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	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36556	0.2
55.67834	0.2
59.01387	0.8
59.73729	0.2
60.34216	0.2
70.37106	0.8
70.84314	0.2
71.01390	0.4
74.38036	0.2
79.72422	0.2
81.19457	0.2
87.00879	0.5
119.93738	1.0
124.83492	0.2
134.96091	56.5
135.96165	2.7
136.94008	100.0
137.94087	4.7
151.92715	15.6
152.92783	0.9
161.04562	0.2
178.95059	74.6
179.95158	3.7
196.96112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0348
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
59.01382	1.2
61.35003	0.1
63.02391	0.3
64.82531	0.1
70.83391	0.3
71.01391	1.1
79.05556	0.2
83.01378	0.2
85.02953	0.2
87.00868	1.0
89.02460	0.6
89.03973	0.5
91.05542	0.5
94.41265	0.1
97.02955	0.2
97.47536	0.1
99.00911	0.2
101.02419	0.3
106.04266	0.4
107.01402	0.2
107.05034	2.4
109.02947	0.3
117.01964	0.3
117.03460	0.8
121.02887	0.2
124.16045	0.1
134.03746	7.8
134.59067	0.1
135.04526	100.0
136.04848	2.7
137.02454	0.2
151.00346	0.4
151.04027	0.3
161.04550	0.6
164.01131	0.6
179.00078	0.4
179.03502	19.1
179.05540	1.0
180.03841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0611
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
54.00109	0.5
57.03442	1.1
57.08841	0.5
59.01374	2.8
59.96647	0.5
70.88147	1.4
71.05025	0.5
85.06590	44.3
86.06934	0.7
87.00858	1.2
87.04511	1.5
113.06088	38.3
115.04012	100.0
116.04356	2.0
121.18814	0.6
129.05571	1.3
131.07135	8.4
157.05067	9.2
175.06116	61.1
176.06522	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	175.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82318	0.6
59.01375	3.7
70.52380	1.0
85.06584	41.1
87.00885	0.7
87.04518	1.5
113.06085	37.4
114.06412	0.8
115.04008	100.0
116.04365	1.5
129.05576	1.7
131.07143	8.0
132.29750	0.6
144.13316	0.5
151.64803	0.5
153.93185	0.5
157.05048	11.2
166.70483	0.6
175.06107	65.1
176.06451	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	177.0193
Annotation	Esculetin
Peak:m/z	Relative Intensity
50.62611	0.2
51.29734	0.3
51.92897	0.3
56.93447	0.2
57.03450	0.4
59.01379	11.2
68.99815	0.5
69.03439	0.6
70.70274	0.6
71.01401	1.3
71.05021	0.3
71.44048	0.2
72.99310	0.9
75.00887	0.2
77.03961	1.0
79.01908	0.3
81.03481	1.7
81.60226	0.2
85.02962	0.6
87.00867	0.8
89.02468	0.4
89.03970	6.8
93.03470	1.4
95.05016	1.2
97.02950	1.7
99.00886	0.9
100.95560	0.3
101.02444	0.3
105.03462	12.9
107.01396	0.9
109.02945	0.6
113.02448	0.4
115.00376	0.4
115.04004	2.7
121.02958	1.3
123.04519	0.4
129.01927	0.9
131.03473	0.4
133.02959	27.2
133.06583	1.0
134.03345	0.5
141.01930	1.7
149.02455	3.0
159.02977	3.8
162.03220	4.0
177.01927	100.0
177.09187	0.7
178.02281	2.8
179.03369	0.3
197.99759	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0247
Annotation	5-Dehydro-4-deoxy-D-glucuronate
Peak:m/z	Relative Intensity
57.03444	0.4
59.01355	0.6
69.03457	13.3
69.45644	0.9
69.46070	1.3
71.01403	0.4
73.02940	0.4
85.02953	3.3
87.00876	100.0
88.01227	1.0
98.20673	0.4
103.03965	0.3
111.31959	0.3
112.01659	1.0
113.02450	7.2
115.00375	0.4
147.03047	0.3
153.30875	0.3
157.01392	2.0
175.02487	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	175.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65572	0.4
57.03437	0.4
59.01371	1.4
68.10514	0.3
69.03457	12.6
71.01369	0.8
85.02953	3.1
85.06574	1.0
87.00877	100.0
88.01208	0.8
101.02396	0.4
101.13365	0.4
111.00903	0.4
112.01669	1.4
113.02451	6.7
113.06081	1.3
115.00394	0.5
115.04019	0.5
117.01945	0.3
129.05609	0.4
131.07130	0.7
147.02977	0.8
157.01469	2.1
157.05054	1.4
166.03127	0.4
175.02499	1.3
175.06100	2.2
177.90578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01376	6.3
69.03457	12.7
70.55501	0.9
70.55844	1.4
71.01384	1.7
72.99286	1.4
75.00893	0.8
78.15992	0.6
85.02953	3.8
85.06588	6.2
87.00875	100.0
100.98817	4.3
112.01667	0.9
113.02459	6.6
113.06097	7.3
115.00385	1.9
115.03205	0.8
115.04012	13.2
127.97516	5.3
129.01965	0.7
129.05653	0.5
131.07150	1.1
132.98166	1.0
142.99875	1.3
147.03012	1.5
152.62395	0.6
157.01410	1.8
157.05075	2.4
175.02473	2.3
175.06122	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	175.0248
Annotation	5-Dehydro-4-deoxy-D-glucuronate
Peak:m/z	Relative Intensity
57.03461	0.7
59.01378	3.0
69.03456	13.9
69.65240	1.9
71.01355	0.9
72.99292	0.9
83.38892	0.3
85.02943	3.2
85.06590	13.8
87.00874	100.0
87.04512	0.6
88.01249	1.0
93.03460	0.4
102.36588	0.3
112.01613	1.0
113.02444	6.9
113.06087	12.2
115.00388	0.5
115.04008	31.4
116.04356	0.5
129.05571	1.0
129.58907	0.3
131.07127	2.5
135.04506	0.5
157.01430	2.1
157.05048	3.1
175.02536	1.5
175.06110	18.7
180.38863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0819
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
55.01841	0.5
57.03450	1.9
59.01379	97.2
59.15741	0.4
60.01710	0.8
60.99298	1.2
67.01892	7.9
68.99834	0.5
69.03461	2.2
69.61199	2.5
71.01377	5.8
71.05051	0.6
72.99306	2.9
73.02957	3.6
75.00872	0.5
81.03457	1.1
82.14232	0.4
83.01401	1.3
83.05013	4.3
85.02970	2.4
85.06592	21.2
87.00881	1.2
93.03460	38.1
94.03820	1.2
95.01350	0.5
96.34110	0.4
97.02928	0.7
98.19868	0.5
99.00895	3.6
99.04520	1.5
101.02413	0.7
109.02962	0.8
109.06620	0.6
110.20486	0.4
111.00893	4.4
111.04519	10.2
111.07386	0.7
111.08157	13.7
112.98820	1.7
113.06089	19.5
115.00388	0.4
127.03960	0.6
129.01894	1.0
129.05597	1.2
129.09233	1.1
131.07141	100.0
132.07468	2.7
137.02437	1.8
140.01123	0.6
142.99867	0.9
145.02934	0.7
154.99835	0.6
155.03500	2.8
165.41321	0.4
173.00899	1.1
173.04553	22.7
173.08163	7.2
173.11844	1.3
174.05038	0.7
190.46201	0.4
194.78444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0454
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
57.03446	2.6
58.00592	0.4
59.01378	4.5
60.99313	1.6
61.15424	0.2
65.03970	0.3
67.01891	14.0
69.03458	3.2
69.80481	0.9
69.80891	0.5
71.01380	8.7
72.99304	0.3
75.14953	0.3
81.03449	2.7
82.07469	0.2
83.01396	0.4
83.05026	2.4
85.02519	0.2
85.02956	1.1
86.90571	0.3
87.00868	0.5
93.03458	67.9
94.03802	1.1
95.01374	0.4
96.02186	0.3
97.03008	0.3
99.00889	0.7
99.04525	0.7
109.02944	2.6
111.00893	0.7
111.04523	9.5
113.02445	1.0
115.03965	0.3
127.04029	1.0
129.01915	0.3
137.02467	1.7
155.03485	2.1
173.04550	100.0
174.04909	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.9
58.00592	0.7
59.01384	5.5
60.99305	1.6
67.01890	13.9
69.03456	3.5
70.02775	0.9
71.01382	8.0
72.99313	0.4
73.02955	0.3
81.03463	2.5
83.01387	0.5
83.05022	2.4
85.02945	1.9
87.00882	0.7
93.03458	68.3
94.03774	1.2
95.01363	0.3
98.20605	0.4
99.00873	0.9
99.04527	0.5
108.02158	0.4
109.02951	2.5
111.00874	1.0
111.04522	10.3
113.02452	1.0
115.04040	0.3
127.03995	0.8
129.01933	0.3
131.07108	0.5
137.02440	1.6
142.99834	0.3
155.03522	2.1
173.04543	100.0
174.04887	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	173.0091
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
50.03332	1.0
53.00309	1.4
55.01873	6.2
57.03440	4.5
59.01378	8.4
65.32822	1.0
67.01891	3.5
68.99811	3.3
69.99122	2.7
69.99519	1.9
71.01382	100.0
72.99302	6.4
73.02941	10.5
78.12463	1.2
83.01384	13.5
83.05043	1.2
85.02948	2.7
87.00877	3.9
93.03459	5.2
96.99318	5.0
99.00880	39.7
101.02460	1.1
111.00869	7.8
111.04523	3.2
112.98815	32.7
115.00346	4.2
124.98811	24.6
129.01909	2.4
142.99855	55.2
145.01482	1.5
151.01302	1.1
155.03474	1.4
165.39433	1.1
173.00908	14.2
173.04565	1.3
174.01166	1.5
174.07686	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	172.098
Annotation	N-Acetylisoleucine
Peak:m/z	Relative Intensity
57.03454	1.6
58.02971	1.8
59.01376	2.6
60.99332	1.1
61.02292	0.3
62.98613	0.3
67.01889	6.7
67.99541	0.3
68.99851	0.4
69.03506	0.9
71.01388	4.6
71.01712	0.5
72.99326	0.6
73.02978	0.9
81.03497	1.3
83.05015	1.5
85.02990	0.9
87.00904	0.4
93.03461	34.9
99.00910	1.1
99.04572	0.5
109.02981	1.1
111.00907	1.3
111.04518	5.0
111.08192	0.6
112.04034	0.4
113.02461	0.7
116.05067	0.5
126.81923	0.3
127.04031	0.6
128.08009	0.7
128.10834	4.0
129.01927	0.5
130.08743	100.0
131.07169	1.3
131.09068	1.9
137.02443	1.1
142.99860	0.6
144.04594	2.1
155.03497	1.7
163.04936	0.3
169.32651	0.4
172.04005	0.5
172.09758	16.6
172.83035	0.8
173.04550	38.0
173.11841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0663
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
53.43554	0.3
59.01382	3.7
65.10837	0.4
69.84811	1.6
70.87343	0.3
71.01380	1.1
91.05555	0.5
99.00900	0.4
109.06585	8.7
122.92036	0.4
127.07654	100.0
128.07944	2.1
129.39687	0.4
149.58684	0.3
171.02028	0.5
171.06606	3.5
171.10283	4.3
171.13867	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70103	0.2
67.01885	0.4
68.26571	0.2
69.03458	3.7
69.91599	1.0
69.91936	0.4
79.01903	2.0
81.03454	1.8
83.01381	0.4
87.56142	0.3
95.01406	0.8
97.02948	3.0
107.01397	1.0
123.00944	0.3
124.01660	1.3
125.02448	100.0
126.02784	2.7
169.01424	35.7
170.01772	1.0
178.06598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79230	0.5
58.02976	100.0
59.03302	1.0
62.14243	0.4
66.03493	0.4
67.01907	0.4
68.99812	0.8
69.03452	2.4
71.52547	0.6
71.52953	0.6
74.56802	0.4
79.01899	0.6
81.03478	1.3
83.01395	0.5
83.44616	0.4
87.00908	0.6
95.01391	0.9
96.99329	0.5
97.02954	3.0
106.92557	0.4
107.01403	0.5
122.89418	1.6
124.01669	0.8
124.04060	1.1
125.02448	61.1
125.09689	0.8
132.86792	0.5
140.58125	0.5
143.81235	0.5
151.11293	0.5
153.01588	0.5
153.60641	0.4
153.99068	0.9
168.13902	9.9
168.83597	3.5
168.98990	2.0
169.01418	26.0
169.12349	0.6
177.04877	0.5
185.00232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0143
Annotation	Gallate
Peak:m/z	Relative Intensity
54.75351	0.4
56.23068	0.4
67.01892	0.6
69.03458	4.3
70.25674	1.2
70.26075	0.7
76.75684	0.4
79.01897	2.2
81.03465	1.8
95.01401	1.2
97.02946	3.7
107.01411	1.1
108.89162	0.3
118.78309	0.4
123.00902	0.4
124.01666	1.4
125.02448	100.0
126.02776	2.0
169.01416	36.2
170.01817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1285
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.85990	0.6
57.03451	24.9
59.01376	1.3
61.98829	4.4
65.00323	1.6
66.03484	1.6
69.03465	2.3
70.35941	1.8
71.01383	1.6
71.05035	2.0
72.99325	1.9
75.00878	1.4
77.03955	3.9
81.03465	2.2
83.05034	5.9
91.01894	0.8
92.99828	2.2
93.03461	6.0
95.05014	1.2
97.06612	2.7
107.05024	1.4
109.02950	1.9
109.06593	3.3
111.08159	43.0
112.08508	1.1
119.05051	2.3
121.02959	100.0
122.03196	4.6
122.06100	1.1
123.04528	2.1
123.08131	0.6
135.04529	2.2
137.02443	7.3
147.04526	2.8
147.11745	0.9
148.04811	0.6
149.00961	1.1
150.03278	4.0
163.11252	1.6
164.83665	8.2
164.89613	2.6
165.01932	18.3
165.04193	1.6
165.05588	6.5
165.12842	99.4
165.83763	0.9
166.05136	2.3
166.13161	4.9
169.01479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0303
Annotation	2-Furoylglycine
Peak:m/z	Relative Intensity
59.99336	0.2
64.58057	0.2
65.03937	0.2
65.99844	1.1
66.03474	0.2
67.01878	0.2
68.99831	0.2
69.03434	0.4
69.59039	1.0
78.38889	0.2
81.03466	0.2
83.01393	0.2
109.02961	0.3
121.02943	0.5
124.01672	0.6
124.04039	0.3
125.02447	7.2
137.02448	8.1
138.03235	18.7
139.03568	0.8
168.03020	100.0
169.01436	2.7
169.03355	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	165.1284
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
57.03448	5.0
59.01372	2.0
61.98827	3.3
65.00314	1.5
65.03936	0.8
66.03477	1.4
66.27988	0.6
67.01918	0.6
69.03455	1.6
70.77601	0.9
70.77937	1.2
71.01393	1.4
71.05041	1.0
72.99308	1.4
75.00870	1.0
77.03963	3.4
80.02673	1.7
81.03460	4.1
83.05026	11.1
91.01917	1.3
92.99827	2.1
93.03477	6.5
93.99355	0.9
95.05030	7.6
97.06591	16.0
107.05034	1.4
107.08793	0.7
108.02221	0.7
108.78010	0.7
109.02979	2.3
109.06585	3.2
111.08157	16.4
119.05029	2.7
120.05357	0.9
121.02959	100.0
121.06486	1.3
122.03201	5.2
122.06219	0.8
123.04495	1.7
135.04504	1.8
137.02444	8.4
137.09691	0.9
147.04561	3.9
147.11835	1.7
149.00941	2.2
150.03221	5.1
161.73032	0.7
163.11304	5.7
164.83643	9.1
164.89729	2.3
164.96353	1.0
165.01935	19.9
165.04213	1.3
165.05556	5.8
165.09184	1.6
165.12846	36.9
165.83630	1.1
166.05072	2.3
166.13159	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0557
Annotation	D-(+)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
50.52615	0.4
58.02950	0.4
69.61986	3.0
72.99307	28.7
75.00890	0.7
85.50531	0.4
87.44215	0.5
91.05569	1.4
101.03982	1.6
103.05519	4.5
117.03469	0.7
119.05024	33.7
120.05364	1.5
121.02968	6.1
129.15787	0.5
137.02405	0.6
138.16420	0.5
147.04521	100.0
148.04836	3.1
165.01923	1.4
165.05557	32.4
166.05904	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.092
Annotation	Cymorcin
Peak:m/z	Relative Intensity
56.10587	0.8
56.52343	0.8
59.01361	2.8
59.17772	0.7
65.00310	1.1
65.03962	4.4
66.03481	1.7
69.62136	4.3
71.01372	2.2
72.99303	1.4
73.02932	1.2
75.00866	3.9
77.03975	4.0
81.07099	42.2
83.05020	1.1
84.02163	2.0
87.00861	1.0
89.02453	1.3
90.79101	0.8
91.01881	0.8
92.99812	1.6
93.03448	6.6
95.01390	0.8
105.01904	0.9
107.05043	1.5
108.02184	0.9
109.02923	2.7
119.05016	3.4
121.02959	100.0
121.06537	1.2
121.10223	5.0
122.03294	2.9
122.03875	0.7
122.06113	0.9
123.04498	2.8
135.04501	3.4
136.05228	0.7
137.02451	9.8
147.04526	3.9
149.00980	2.3
150.03215	7.3
164.83583	3.0
164.89609	2.3
165.01939	19.6
165.04076	3.2
165.05525	7.3
165.07797	1.3
165.09209	23.9
165.12872	0.9
166.02455	1.1
166.05038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
59.01361	0.5
70.65885	1.2
70.66273	0.4
75.00894	0.6
75.24492	0.3
77.03965	1.7
77.08415	0.4
81.03462	0.5
87.00903	0.6
87.55216	0.4
93.03467	3.2
106.07717	0.4
108.02155	0.8
119.04986	0.8
121.02959	100.0
122.03231	2.1
123.04570	0.6
137.02460	1.8
147.04536	0.7
148.02428	0.4
150.03264	1.3
164.89638	0.4
165.00549	0.7
165.01936	12.9
165.04092	0.5
165.05563	1.4
175.58714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0405
Annotation	L-Xylonate
Peak:m/z	Relative Intensity
50.17051	0.4
55.01880	2.8
57.03446	1.6
59.01378	8.5
63.43623	0.4
65.59808	0.4
70.12132	0.7
70.12521	0.9
71.01380	5.7
72.99309	7.2
73.02943	1.5
75.00873	100.0
76.01214	0.8
83.01402	0.5
85.02950	2.1
85.40810	0.4
87.00876	36.9
87.95401	0.4
89.02448	3.4
97.79523	0.5
99.00881	5.5
99.21483	0.3
101.02429	2.8
105.01939	26.0
111.00905	0.4
113.45465	0.4
113.96274	0.3
117.01924	2.3
129.01941	12.6
135.02982	0.8
147.02991	8.4
151.12206	0.3
162.89513	0.3
165.04041	64.9
166.04372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1122
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
59.01367	2.2
61.98826	17.3
72.99302	1.5
91.01881	1.2
91.61032	1.2
93.03449	2.0
98.19811	2.3
103.73722	1.3
115.92147	1.3
116.92080	12.2
118.53664	1.1
118.99262	9.1
119.05030	89.6
120.05381	3.6
131.76521	1.3
138.91095	1.4
163.00345	3.5
163.04015	10.0
163.11287	100.0
164.11571	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	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
70.26530	1.9
72.00909	35.1
74.52087	0.5
75.00892	0.8
85.32927	0.6
91.05555	2.2
103.05541	6.1
119.05025	1.6
120.05351	2.8
121.02962	2.5
147.04521	100.0
148.04843	3.8
150.03223	0.6
152.24101	0.6
164.07161	51.8
165.07507	1.7
180.62297	0.6
182.78603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Terephthalate
Peak:m/z	Relative Intensity
53.84966	0.3
53.89516	0.2
55.01878	1.5
57.03440	0.4
59.01106	0.4
59.01377	3.4
69.64259	0.9
69.64666	0.6
69.71430	0.3
71.01387	2.8
72.99301	2.6
73.79596	0.2
75.00870	44.4
77.03965	5.6
85.02947	1.0
87.00874	12.5
89.02434	1.2
93.03465	1.0
99.00880	1.8
101.02431	0.9
105.01929	8.1
117.01933	0.7
121.02955	100.0
122.03255	1.9
129.01933	4.8
137.02425	1.2
147.02992	3.0
147.89317	0.3
150.03214	0.3
164.89549	3.2
165.01956	8.0
165.04037	27.6
168.14476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
54.88923	0.7
59.01383	6.3
59.78218	0.7
66.23943	0.6
69.99115	0.6
71.01396	3.8
71.05022	31.1
71.49831	0.9
72.99325	1.1
73.02952	3.0
79.95525	0.7
85.02956	2.2
85.31883	0.6
87.00883	2.4
92.16266	0.6
97.75513	0.6
99.00889	1.0
99.04522	43.7
101.02444	100.0
101.27237	0.6
102.02792	0.9
111.22923	0.6
115.04018	2.8
117.05582	7.9
117.06364	1.1
131.03488	0.7
143.03516	12.5
160.89243	2.4
161.04559	43.3
161.89464	0.8
164.78578	0.7
179.15088	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82095	0.9
55.13738	1.0
59.01387	1.1
69.40916	7.4
76.25941	1.0
91.05531	100.0
92.05875	2.9
93.03480	2.7
98.20020	3.0
98.20629	1.7
119.05025	91.8
120.05360	2.4
128.85681	1.0
135.04510	8.8
136.04762	0.9
138.60626	1.0
163.03986	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	163.04
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15015	0.8
56.50872	0.7
69.19305	7.5
69.19688	1.2
72.11520	0.7
82.73852	0.8
91.05534	100.0
92.05834	1.5
93.03464	3.2
98.19907	1.3
108.24478	0.8
110.67858	0.8
119.05031	79.2
120.05356	2.2
135.04521	7.9
149.08148	0.8
162.89287	0.7
163.00348	1.7
163.03996	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	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87109	0.7
71.09187	1.3
73.50957	0.7
81.09087	0.7
91.05534	100.0
92.05875	1.3
93.03461	1.5
103.21760	0.7
119.05025	33.2
120.05306	1.0
135.04527	7.1
136.04903	0.8
163.04015	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	158.0458
Annotation	4-Methylene-L-glutamate
Peak:m/z	Relative Intensity
50.33976	0.3
55.83329	0.3
57.03447	88.7
58.02504	0.3
58.02967	0.4
58.03786	1.1
67.46731	0.3
69.03457	4.0
69.22138	2.8
70.03802	1.0
71.01409	0.4
71.05016	2.1
72.00902	0.4
72.99309	2.8
79.28129	0.4
84.04557	0.7
85.02940	2.4
86.02488	0.7
86.03284	0.8
86.06114	12.8
87.00887	0.7
87.04505	0.6
96.04554	4.5
97.02943	5.2
98.20737	0.4
99.97177	0.3
112.04044	10.2
113.02444	3.8
114.02810	0.5
114.05605	9.2
115.04008	7.6
131.03479	0.6
141.01942	4.5
158.04582	100.0
159.02995	5.4
159.04956	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	159.0299
Annotation	3-Oxoadipate
Peak:m/z	Relative Intensity
55.01898	1.0
57.03447	3.9
66.13475	0.9
69.03454	5.6
71.01376	2.0
71.05021	18.7
71.05692	2.3
72.99309	1.9
82.34930	1.1
85.02933	2.5
87.04517	14.0
89.80741	1.0
90.92737	1.0
97.02952	7.2
103.06446	0.9
113.02439	2.5
115.04012	100.0
116.04360	2.9
116.80653	1.1
141.01921	4.2
159.02988	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	159.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
64.64474	0.7
64.81244	0.7
69.03452	2.5
69.56462	4.3
71.01392	2.1
71.05017	17.2
72.99345	0.7
79.64206	0.7
83.07784	0.6
83.46339	0.6
84.28292	0.6
87.04515	15.3
89.26282	0.6
89.77654	0.7
97.02983	3.2
107.36919	0.6
110.77921	0.6
113.02437	1.3
115.04012	100.0
116.04348	2.6
130.42261	0.7
141.01950	0.9
159.02968	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	155.1079
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
55.01871	2.0
55.67336	0.7
59.01371	2.3
66.59459	0.6
67.01855	1.1
69.46191	5.3
69.86777	0.8
76.01370	0.6
83.01365	3.9
83.05014	1.4
84.00945	0.8
85.02967	1.1
87.84863	0.8
93.03488	1.5
98.00198	0.8
98.20684	1.3
103.22664	0.6
103.69569	0.7
104.49194	0.7
111.00871	2.3
111.04497	2.3
111.08134	1.2
114.05611	4.1
114.06361	0.6
116.92222	0.7
127.00363	1.4
137.02496	0.9
137.09703	1.3
138.92134	0.8
140.01160	3.6
154.99829	1.9
155.03551	1.6
155.10779	100.0
156.06639	1.6
156.11096	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	157.0143
Annotation	2-Maleylacetate
Peak:m/z	Relative Intensity
51.02383	1.0
57.03449	13.8
59.01380	100.0
60.01718	1.0
67.01896	3.5
69.03457	78.2
69.80219	1.6
69.80658	1.1
70.03801	1.6
71.01382	3.5
72.00914	0.6
81.29554	0.4
85.02950	37.0
85.68491	0.4
86.02445	0.5
86.06121	0.7
92.19700	0.5
96.04555	1.2
98.48911	0.5
109.04063	0.7
111.00877	0.6
112.01674	1.4
113.02455	10.8
114.05590	1.1
127.00366	1.2
157.01389	1.8
157.08665	0.7
157.98732	0.4
158.04593	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	157.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.0
57.03449	13.8
59.01380	100.0
60.01718	1.0
67.01896	3.5
69.03457	78.2
69.80219	1.6
69.80658	1.1
70.03801	1.6
71.01382	3.5
72.00914	0.6
81.29554	0.4
85.02950	37.0
85.68491	0.4
86.02445	0.5
86.06121	0.7
92.19700	0.5
96.04555	1.2
98.48911	0.5
109.04063	0.7
111.00877	0.6
112.01674	1.4
113.02455	10.8
114.05590	1.1
127.00366	1.2
157.01389	1.8
157.08665	0.7
157.98732	0.4
158.04593	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	155.0714
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
52.68126	2.2
53.85910	2.6
55.01878	16.8
57.03442	5.4
58.00602	12.2
58.89438	2.5
59.01377	78.2
60.60201	2.7
62.90730	2.6
67.01874	8.7
69.03454	5.8
69.51917	17.9
71.01382	20.7
72.02155	10.1
72.99303	7.2
79.05521	2.6
81.03442	3.6
81.07085	3.2
83.01395	14.7
83.04560	3.7
83.05025	21.7
84.02154	8.5
84.04545	5.2
85.02946	6.5
86.00098	18.4
93.03470	11.9
95.05021	51.8
95.97908	2.7
96.00889	2.6
96.95979	3.0
97.06564	18.9
98.20665	3.3
99.08158	47.4
107.05030	100.0
108.05308	3.0
109.03022	4.7
109.06575	11.6
110.00080	3.2
111.00862	7.3
111.03961	2.4
111.04533	29.3
111.08154	14.2
112.01658	6.4
113.02486	2.9
113.06091	22.9
114.05604	68.3
125.06078	38.2
127.00376	6.1
127.04012	4.5
127.07647	35.9
137.02399	4.1
137.06070	7.7
140.01132	23.8
144.00603	2.7
154.99850	16.1
155.02339	7.7
155.03490	12.9
155.07172	22.5
156.06635	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	154.0146
Annotation	4-Nitrocatechol
Peak:m/z	Relative Intensity
65.99840	1.3
66.03476	1.4
67.01870	0.3
69.28702	2.0
70.92275	0.2
81.03461	0.3
82.03007	0.3
83.01371	0.6
89.42843	0.3
92.05083	0.4
95.01389	0.4
103.51267	0.2
103.97982	0.3
107.01378	0.8
107.05087	0.3
110.03303	0.7
111.00918	0.3
111.04504	0.3
112.04044	0.2
118.36451	0.3
123.00890	9.0
124.01665	24.6
124.04047	0.7
125.02003	0.8
125.06139	0.3
127.00431	0.3
136.04033	0.3
137.02495	0.3
138.65321	0.2
140.01096	0.7
150.17001	0.2
152.86162	0.2
154.01459	100.0
155.01825	2.5
155.03049	0.3
155.03497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0351
Annotation	(2S,3S)-2,3-Dihydro-2,3-dihydroxybenzoate
Peak:m/z	Relative Intensity
54.73023	1.8
55.01881	37.3
57.03434	5.1
58.00579	2.2
59.01384	23.3
67.01894	10.7
67.05525	2.6
67.90984	1.6
68.99817	4.2
69.03451	6.6
71.01383	8.6
71.52308	2.4
72.99340	1.6
77.95522	1.7
78.95886	3.3
81.03449	7.9
83.01384	34.5
83.05022	21.3
84.02164	3.5
84.04529	2.5
85.02934	4.8
86.00099	3.8
93.03461	32.5
95.01379	5.1
95.05021	12.3
97.02921	2.0
97.06573	3.3
97.63524	1.6
99.00884	2.4
99.04543	9.5
99.08163	7.8
107.05025	18.0
107.41366	1.6
108.02103	1.7
109.02929	4.6
109.06583	2.5
111.00869	11.3
111.04518	72.9
111.08159	10.3
112.01638	1.8
112.04857	2.6
113.02433	2.3
113.06081	6.4
114.05609	100.0
123.00855	5.9
125.06087	11.1
127.00371	14.5
127.03983	7.5
127.07677	8.9
134.54237	1.9
137.02435	11.2
137.06107	2.4
139.00339	3.3
140.01149	28.6
145.71713	1.6
148.91438	1.6
154.99869	33.2
155.03529	29.0
155.05571	1.8
155.07120	11.1
156.06645	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	149.0456
Annotation	L-xylose
Peak:m/z	Relative Intensity
50.47575	1.1
52.40536	1.2
59.01377	5.2
69.64030	6.8
71.01380	25.3
73.02950	18.2
75.00857	1.3
87.00895	11.2
89.02447	100.0
90.02760	1.8
92.94436	1.0
103.04015	5.1
120.83844	1.2
131.03520	13.9
149.04558	47.1
150.04962	2.0
153.59917	1.0
169.80298	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0354
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
65.00331	0.3
66.03486	2.4
69.85174	0.9
81.03458	0.6
97.02954	0.2
98.36374	0.2
107.01371	0.2
108.02171	2.1
108.04525	0.3
109.02953	7.5
109.06612	0.2
110.00092	1.0
121.02976	0.7
122.03742	32.4
123.04012	1.1
125.02457	0.7
135.04555	0.3
137.01970	0.3
137.99590	1.3
151.00272	0.2
152.03534	100.0
153.01973	3.7
153.03883	3.4
153.05249	0.2
153.05641	0.2
169.01491	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.7
66.03484	9.0
66.19900	0.4
67.01883	0.4
68.99807	0.5
71.01376	0.5
71.53674	0.4
78.03486	1.2
81.03454	1.7
83.01382	1.1
91.01893	0.4
97.02952	0.5
100.65983	0.4
104.01438	0.6
106.02999	0.6
106.39694	0.4
107.03767	4.7
108.02177	6.3
108.04546	0.9
109.02955	23.7
109.06628	0.4
110.00102	3.6
111.00838	0.4
116.88465	0.3
122.02428	1.0
122.03741	26.3
123.00874	0.5
123.04042	0.8
123.04600	0.6
124.04864	1.0
125.02454	2.2
135.04507	0.6
137.02019	1.4
137.99597	4.7
151.00377	0.5
152.03529	100.0
153.01939	13.8
153.03807	3.3
153.05591	0.9
155.47557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04214	0.3
59.01376	4.2
66.70749	0.3
69.03452	2.0
71.01380	25.8
71.17519	0.6
72.01717	0.5
73.02946	17.6
74.03271	0.6
75.00882	0.7
75.53294	0.3
85.02960	0.8
87.00875	11.3
89.02443	100.0
90.02760	1.8
101.02452	0.8
103.04005	5.5
131.03496	13.7
149.04552	49.1
150.04938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	L-xylose
Peak:m/z	Relative Intensity
54.93606	2.2
56.68223	2.2
59.01373	4.8
69.03473	2.1
69.62452	4.9
69.62859	8.0
71.01384	30.2
73.02956	19.9
82.62530	1.7
83.36118	2.2
87.00877	14.7
87.79559	2.3
89.02444	100.0
100.42249	1.9
103.04003	3.7
123.45127	1.9
131.03487	14.4
149.04561	48.7
154.52029	2.3
169.13971	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	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
50.06380	5.4
57.03433	9.5
59.01373	15.9
69.46718	46.0
71.01378	18.8
72.21390	5.1
72.99306	7.5
85.02939	38.0
87.00875	41.1
93.18290	6.8
99.00865	13.4
103.04021	8.7
103.05543	16.1
109.68256	6.4
119.05025	17.7
129.01968	14.0
147.03009	24.4
147.04510	100.0
156.78323	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	149.0455
Annotation	L-Arabinose
Peak:m/z	Relative Intensity
57.04214	0.3
59.01376	4.2
66.70749	0.3
69.03452	2.0
71.01380	25.8
71.17519	0.6
72.01717	0.5
73.02946	17.6
74.03271	0.6
75.00882	0.7
75.53294	0.3
85.02960	0.8
87.00875	11.3
89.02443	100.0
90.02760	1.8
101.02452	0.8
103.04005	5.5
131.03496	13.7
149.04552	49.1
150.04938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.03
Annotation	(-)-Citramalic acid
Peak:m/z	Relative Intensity
54.48141	1.1
57.03448	18.2
59.01380	4.9
65.90826	1.2
70.25771	1.5
70.26152	2.0
71.01366	1.5
72.99308	1.3
79.23740	1.2
85.02952	61.8
85.07749	1.3
87.00877	100.0
88.01212	2.3
99.00895	1.3
101.02439	3.4
103.04015	8.5
124.74010	1.0
129.01950	15.4
147.01846	2.5
147.02994	42.0
147.06598	1.5
148.03368	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	147.03
Annotation	(-)-Citramalic acid
Peak:m/z	Relative Intensity
57.03447	20.4
59.01377	5.8
62.75429	0.4
71.17467	0.6
71.17801	0.6
72.99310	1.9
73.06831	0.4
78.50217	0.4
85.02948	65.7
86.03284	1.7
87.00874	100.0
88.01208	2.0
92.11217	0.4
98.07638	0.4
101.02457	4.4
101.21091	0.4
103.04008	9.1
129.01945	14.5
147.02989	40.2
148.03340	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	147.03
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	16.9
59.01382	6.0
62.22117	1.0
69.28846	6.8
85.02950	63.5
86.03294	2.3
86.62648	1.0
87.00877	100.0
88.01208	1.4
101.02443	3.3
102.78350	1.0
103.04018	10.2
129.01949	14.4
147.02992	37.2
148.03369	1.2
158.12718	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.1
69.37328	5.4
71.01382	7.5
80.28732	0.7
83.01395	2.3
86.10143	0.7
87.00877	1.0
98.06145	2.2
115.00376	3.0
126.05621	5.6
127.00372	1.2
128.83932	1.0
142.05093	5.8
144.06665	100.0
145.01411	1.6
145.07037	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	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
61.69057	0.7
67.31264	0.7
83.04992	0.8
97.06567	1.4
99.08157	100.0
100.08486	3.3
103.20784	0.8
110.38661	0.8
118.47655	0.7
127.07664	1.1
134.22916	0.8
143.07111	1.3
145.08702	54.9
146.09071	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	15.1
59.01384	7.4
62.19357	2.2
68.99808	5.5
69.29230	17.8
71.01387	40.4
80.99812	4.5
87.00873	10.3
95.83007	2.1
96.99334	21.7
98.20730	2.8
99.00835	2.2
112.98819	26.6
115.00349	2.6
124.98806	57.9
124.99733	2.9
126.05624	3.7
140.98326	9.7
142.05115	4.6
142.99863	100.0
144.00191	2.6
144.06668	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95190	2.5
53.00302	15.8
59.01374	6.9
63.70953	2.4
63.76601	2.5
68.99814	5.0
69.63912	9.8
69.64319	6.8
71.01381	46.5
78.87597	2.9
80.99804	7.0
83.01419	4.4
87.00885	6.7
96.99299	12.9
97.76990	2.7
98.20542	4.1
104.29328	2.9
112.98817	26.9
115.00354	9.4
124.98800	50.5
140.98302	10.2
142.05055	3.8
142.99860	100.0
144.00276	5.2
144.06657	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28362	1.0
71.01383	3.8
71.44617	0.8
72.88117	0.9
82.02989	1.1
83.01390	1.0
98.06124	1.6
101.02440	3.9
107.54974	0.9
126.05600	5.1
127.00388	1.3
142.05106	8.2
144.06665	100.0
145.07007	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	135.0453
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
50.77244	0.7
60.37620	0.7
68.00240	0.6
70.84126	0.7
70.84467	1.5
71.01353	0.7
74.74886	0.7
75.00862	1.4
78.43894	0.7
81.08440	0.8
82.05076	0.7
85.02936	0.8
89.03979	0.8
92.05054	1.0
93.03461	1.3
97.51385	0.7
106.04285	1.5
107.05045	5.6
108.02158	1.6
117.03484	1.0
134.03746	14.7
134.89523	3.5
135.04526	100.0
136.04024	0.8
136.04865	4.4
141.06755	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
63.84200	0.3
66.17920	0.2
67.01881	0.4
69.23139	2.2
73.24443	0.2
83.01340	0.3
94.03787	0.7
95.01373	0.5
108.02173	47.6
109.02493	2.2
111.00887	1.3
138.01973	100.0
139.00386	1.0
139.02338	4.8
139.03975	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.03
Annotation	Threonic acid
Peak:m/z	Relative Intensity
53.44023	0.4
58.00578	0.8
59.01380	6.0
63.96250	0.9
66.98551	0.5
71.01385	7.5
71.51896	0.6
71.52276	0.7
72.99311	13.3
73.01802	2.5
73.02943	1.5
75.00874	69.8
76.01208	0.8
85.02972	0.9
87.00867	4.1
89.01305	0.6
89.02450	4.1
89.02917	0.6
89.03988	0.4
91.02853	0.8
91.05537	1.0
92.05075	1.2
93.03471	3.0
94.88504	0.5
95.05028	0.8
106.04248	6.2
107.05032	33.3
108.02164	4.0
108.03941	0.7
108.05366	1.3
109.75117	0.5
115.00403	2.2
117.00794	7.1
117.01916	2.9
117.03466	1.1
123.04538	3.5
123.46404	0.5
134.03738	14.9
134.86504	1.0
135.01877	2.6
135.03001	25.5
135.04532	100.0
136.04088	1.0
136.04881	4.7
138.03268	0.6
152.35379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01382	2.3
64.87241	0.9
71.01381	70.8
71.06127	1.5
72.01716	1.5
72.99305	16.1
87.00864	4.3
87.04502	1.4
89.02459	9.2
92.57676	0.8
95.96905	0.9
106.10172	0.8
115.00374	100.0
116.00705	1.8
117.02232	1.2
118.07798	0.8
131.25319	0.8
133.01431	29.2
133.05070	4.0
134.01784	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59583	1.0
54.52428	0.9
62.64266	1.0
65.03469	0.9
70.35343	0.9
71.01385	53.8
72.99300	13.9
79.79626	0.8
87.00893	2.7
89.02451	8.5
115.00376	100.0
116.00685	2.8
131.53722	0.9
133.01439	27.9
133.05045	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	133.0144
Annotation	Malic acid
Peak:m/z	Relative Intensity
52.96535	1.1
58.64111	1.2
59.01352	1.3
60.23247	0.9
64.87235	1.0
71.01382	66.4
71.17746	1.8
72.01712	1.1
72.98940	1.7
72.99310	13.1
82.93911	1.1
85.95297	0.9
87.00871	3.4
87.04517	1.7
89.02438	9.2
91.41859	1.1
114.34122	0.9
115.00374	100.0
116.00732	3.8
133.01431	32.9
133.05078	3.2
134.04716	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0302
Annotation	Threonate
Peak:m/z	Relative Intensity
52.85168	0.4
53.85434	0.4
54.23191	0.5
56.98029	1.1
59.01382	8.9
71.01379	6.9
71.05716	0.5
71.06062	1.0
72.99310	15.7
73.01810	1.4
73.02959	0.6
75.00872	100.0
76.01205	1.6
87.00873	4.3
89.02453	7.4
90.96822	0.9
91.02916	0.5
107.05034	0.9
115.00346	1.2
117.00781	5.8
117.01927	5.0
133.36472	0.4
134.03784	0.7
135.01941	1.7
135.02997	37.1
135.04488	3.8
136.03334	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.035
Annotation	Methylsuccinic acid
Peak:m/z	Relative Intensity
58.21072	0.6
59.34908	0.6
60.89414	0.7
63.05499	0.6
63.82057	0.7
69.03468	1.1
69.32146	1.5
69.32568	4.0
71.01374	1.3
73.02946	3.9
73.86707	0.6
85.03000	0.7
85.86408	0.6
87.04516	100.0
88.04861	2.9
90.98247	0.6
101.10748	0.7
104.34763	0.7
113.02431	5.1
131.03508	20.6
142.14717	0.7
144.90469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0714
Annotation	2-Hydroxyhexanoic acid
Peak:m/z	Relative Intensity
57.03451	4.8
59.01381	8.4
59.25454	1.0
68.99825	4.0
69.03458	6.3
71.01384	29.0
71.60412	1.2
72.99323	1.1
73.02946	59.3
74.03281	1.6
75.00866	1.9
80.88380	1.1
82.29922	0.9
85.02961	6.2
85.06591	100.0
85.17309	1.1
85.78939	0.9
86.06944	3.3
87.00890	2.0
87.04516	32.1
88.04037	1.2
88.04849	1.2
101.02460	3.0
103.04007	1.5
113.02450	4.1
113.06094	1.5
117.87845	1.2
129.05568	1.2
131.03514	10.3
131.07147	60.1
132.07513	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	129.0195
Annotation	Mesaconate
Peak:m/z	Relative Intensity
55.01867	10.3
57.03445	50.5
59.01377	19.5
67.01893	83.6
68.99807	6.7
71.01363	7.6
72.99310	34.1
73.02943	9.3
83.01384	8.1
83.05027	22.2
85.02954	100.0
85.06563	6.8
88.04048	17.1
88.76492	5.3
99.00841	9.3
111.04496	6.1
118.27985	5.0
129.01950	42.4
129.05583	17.1
133.35991	5.2
147.18761	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	129.0559
Annotation	(S)-3-Methyl-2-oxopentanoic acid
Peak:m/z	Relative Intensity
55.01873	9.4
57.03433	11.7
67.01883	5.9
70.04339	13.0
70.04739	13.9
71.01389	7.8
76.74303	6.7
83.05048	7.4
85.02940	40.1
85.06586	100.0
101.02445	5.8
102.38062	5.9
118.75800	6.2
128.90167	13.7
129.01942	17.1
129.05562	63.3
130.08664	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0559
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
55.01856	16.8
55.14191	15.7
57.03456	27.1
68.36546	13.7
70.64883	37.5
72.16093	14.1
72.20808	13.3
85.02954	48.0
85.06580	26.5
97.86731	14.9
116.67314	14.9
128.90082	38.5
129.01897	38.8
129.05582	100.0
130.08710	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	131.0351
Annotation	Methylsuccinic acid
Peak:m/z	Relative Intensity
55.61016	0.6
56.95020	0.6
57.57531	0.5
60.48402	0.6
69.03452	1.5
70.47522	1.2
71.01367	0.9
73.02930	1.1
87.04515	100.0
88.04863	2.9
88.73484	0.5
89.10116	0.6
96.75684	0.7
113.02457	6.2
131.03511	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	127.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	5.3
59.19594	2.4
69.55228	17.4
71.01382	8.0
74.05055	2.6
83.01392	6.9
83.05018	5.7
85.02958	9.6
98.19961	5.1
99.00886	7.5
108.02084	2.3
109.02962	2.6
118.77047	2.5
126.90457	100.0
127.00372	27.2
127.03990	10.8
127.07668	25.8
128.03537	33.1
128.07166	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	127.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62674	3.1
69.53117	17.2
71.01376	8.7
77.18575	3.0
82.02946	3.1
83.01389	8.7
83.05008	8.0
83.44910	2.8
85.02957	10.2
95.49110	2.6
98.02509	2.9
99.00877	8.5
99.04524	4.0
101.52604	3.0
109.02982	3.2
110.90868	3.8
113.32532	2.9
126.90460	100.0
127.00380	32.6
127.03990	11.7
127.07648	38.0
128.03545	36.5
128.07166	24.8
128.93108	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	129.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.2
57.03444	25.8
58.47896	3.5
59.01367	3.8
67.01891	46.6
68.99810	5.7
70.63274	5.0
70.63612	6.0
70.78760	3.4
71.01383	8.4
72.99313	6.4
85.02948	100.0
88.04013	16.0
94.95703	3.6
99.95383	3.1
129.01941	24.6
130.08778	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	127.0766
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
55.01879	6.7
56.93767	3.0
59.01370	10.3
71.01393	16.4
71.53468	4.8
83.01379	8.5
83.05023	3.9
85.02951	10.2
97.88838	3.5
99.00893	9.9
99.04536	3.5
109.06599	8.9
115.22255	3.1
126.90456	100.0
127.00389	33.2
127.03994	16.9
127.07650	57.7
128.00755	3.5
128.03549	38.8
128.07182	36.2
148.86790	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	127.0766
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
59.01358	16.0
59.63410	5.2
64.91920	4.8
70.32784	11.2
70.33181	11.4
71.01385	9.1
74.06441	4.6
83.05001	9.7
83.08730	5.8
85.02948	6.0
88.82906	5.1
99.00888	8.6
99.04523	5.6
109.06577	7.9
126.90472	60.3
127.00363	28.4
127.04005	11.4
127.07649	100.0
128.03503	19.6
128.07167	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	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
54.50848	0.5
54.60169	0.5
57.63255	0.4
59.51057	0.6
59.78843	0.6
60.37274	0.5
64.96622	0.4
70.21091	1.3
73.02945	100.0
74.03285	2.8
99.00874	8.7
116.92881	1.6
117.01939	18.0
118.02279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
52.71803	0.6
57.47219	0.6
59.01381	1.9
69.83579	1.0
69.83972	1.8
71.01380	1.4
72.99288	1.0
73.02939	0.8
75.00868	0.9
77.31045	0.6
93.03462	2.7
98.20570	0.9
101.92430	1.0
105.73294	0.6
118.92638	4.6
118.93429	0.9
119.02507	1.8
119.05026	100.0
120.05362	5.0
129.99176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0502
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
55.10728	0.6
59.01364	1.4
64.07443	0.8
68.01123	0.8
70.04999	0.8
71.01381	1.4
84.73660	0.8
93.03461	2.5
109.25446	0.8
116.89758	0.8
118.55222	0.8
118.92682	1.9
119.05030	100.0
120.05367	5.5
124.85433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.009
Annotation	2-Hydroxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
61.32563	1.1
61.36063	1.5
67.01901	9.1
71.51276	1.9
77.57397	1.2
79.01915	1.2
80.08397	1.2
80.59254	1.3
92.94791	1.9
95.01389	100.0
96.01005	1.1
96.01709	3.8
99.47799	1.2
108.02194	1.7
123.00883	44.5
123.04533	3.5
124.01279	1.5
124.04052	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	1157.226
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01388	0.4
85.02961	0.2
91.01894	0.2
93.03490	0.1
95.01382	0.2
96.82217	0.1
98.19958	0.2
107.01391	1.2
108.02169	1.0
109.02946	0.3
121.02983	0.4
123.00977	0.1
123.50993	0.1
124.01676	0.3
125.02457	0.1
133.02979	0.5
135.00835	0.5
143.05032	0.1
145.02997	0.1
148.01666	1.0
149.02409	0.2
149.99513	0.1
151.00363	3.9
152.01067	0.2
153.01926	0.1
159.04500	0.1
163.00404	0.6
164.01183	0.5
169.01421	0.2
171.04483	0.3
173.02380	0.1
173.04657	0.1
174.03191	0.2
175.04015	0.3
178.99866	1.9
183.04509	0.2
185.02524	0.1
187.03958	0.3
188.04872	0.1
191.00000	0.1
191.05453	0.1
192.00627	0.2
198.03203	0.2
199.03972	1.0
200.04398	0.1
201.01926	0.3
201.05542	0.1
202.02600	0.1
203.03500	0.3
211.03859	0.5
213.01746	0.1
215.03566	0.7
216.04283	0.5
217.04927	0.1
226.02730	1.4
227.03490	2.4
228.03932	0.1
229.01424	0.2
229.04967	0.2
241.04950	0.1
242.02258	0.1
243.02971	9.3
244.03563	0.6
245.04454	0.2
254.02232	1.9
255.02974	24.1
256.03366	1.0
269.04062	0.1
271.02463	54.9
272.02945	3.9
273.03931	0.3
283.02399	0.2
284.03339	0.1
285.04025	7.3
286.04379	0.4
299.02014	1.9
300.02734	97.2
301.03271	8.4
302.03940	0.2
343.04425	0.2
355.04135	0.1
461.07196	3.2
462.07581	0.2
476.06876	0.1
487.08932	0.2
489.10251	0.2
609.14594	2.3
610.14789	0.2
651.15613	100.0
652.15967	9.8
652.27545	0.2
1005.12201	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	1157.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01373	0.3
85.02941	0.1
91.01916	0.2
94.85519	0.1
95.01388	0.1
96.02214	0.1
106.45690	0.1
107.01395	1.5
108.02163	1.1
109.02962	0.3
113.02471	0.1
121.02959	0.5
123.00925	0.1
123.22912	0.1
124.01659	0.2
125.02428	0.2
125.75784	0.1
132.02214	0.1
133.02965	0.5
135.00896	0.7
143.05045	0.1
147.00935	0.1
147.04556	0.1
148.01657	1.0
149.02412	0.2
151.00371	4.6
152.01039	0.2
153.02007	0.1
157.03001	0.1
159.04485	0.1
163.00406	0.8
164.01154	0.5
165.02086	0.1
167.01079	0.1
169.01511	0.1
171.04489	0.1
172.05240	0.1
173.02351	0.2
173.04549	0.1
175.04001	0.2
177.01860	0.1
178.99872	2.3
183.04552	0.2
185.02481	0.1
187.03905	0.3
189.05429	0.1
190.99863	0.2
191.05669	0.1
192.00688	0.3
198.03152	0.4
199.03978	1.1
200.04402	0.1
201.02055	0.3
202.02733	0.1
203.03543	0.3
211.03944	0.5
213.01910	0.1
213.05429	0.1
214.02580	0.1
215.03485	0.7
216.04323	0.4
217.04964	0.2
217.42461	0.1
226.02722	1.6
227.03500	2.6
228.04004	0.2
229.01393	0.2
229.04988	0.2
241.04927	0.1
242.02243	0.2
243.02979	10.3
244.03516	0.6
245.04488	0.2
254.02206	2.2
255.02979	25.9
256.03363	1.1
257.04761	0.1
271.02469	57.8
272.02963	3.9
273.03647	0.4
283.02417	0.2
285.04041	8.0
286.04453	0.5
299.02017	2.1
300.02737	100.0
301.03278	8.1
302.03857	0.1
314.04318	0.1
325.03326	0.1
327.05133	0.1
343.04486	0.2
355.04965	0.1
461.07220	2.9
462.07904	0.1
487.09317	0.1
489.10425	0.1
505.09308	0.1
609.14673	2.3
610.14813	0.2
651.15613	96.7
652.15979	8.9
652.27466	0.1
1096.90979	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	113.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03447	2.0
57.57637	0.4
68.99571	100.0
69.03461	2.8
69.99913	1.1
71.53264	0.4
71.53644	0.5
75.14977	0.4
80.25729	0.4
84.02158	1.0
85.02949	5.6
93.01778	0.4
93.47967	0.4
112.98567	4.3
113.02452	3.4
114.05612	1.7
120.07359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0038
Annotation	Maleic acid
Peak:m/z	Relative Intensity
59.01366	2.6
69.66113	15.0
71.01381	100.0
71.05012	8.2
87.00880	3.1
115.00367	12.1
115.04040	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	115.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.9
70.99436	5.9
71.01381	100.0
71.05028	8.6
73.11133	3.9
87.00891	7.1
114.93391	16.9
115.00378	15.3
115.04010	10.4
116.07177	12.1
131.77252	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	115.0402
Annotation	5-Oxopentanoate
Peak:m/z	Relative Intensity
50.73555	8.3
58.42413	10.4
59.01380	23.7
68.14621	8.7
69.03425	10.9
69.44693	8.3
70.69917	24.0
71.01392	36.5
71.05023	45.4
87.04507	15.9
111.84476	9.4
115.00376	13.4
115.03987	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	113.0245
Annotation	Methylsuccinic anhydride
Peak:m/z	Relative Intensity
52.82322	2.3
55.01876	8.1
57.03451	29.1
58.32479	2.4
67.01870	6.2
68.99570	82.4
69.03452	54.5
71.01379	6.5
82.96755	2.3
83.01400	4.8
84.02145	11.6
85.02953	100.0
86.02489	4.6
86.03296	4.0
95.01381	3.9
96.00890	2.7
113.02452	37.8
114.01958	5.7
114.05608	19.0
117.70166	2.3
118.42886	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	1129.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03465	0.1
83.01385	0.4
91.01849	0.2
93.03451	0.3
93.54922	0.2
107.01384	1.5
108.02166	1.1
109.02958	0.7
110.99102	0.1
117.49886	0.2
119.01388	0.1
121.02977	1.0
124.01645	0.3
125.02457	0.4
135.00882	0.6
148.01671	0.6
149.02451	0.2
151.00365	6.5
152.01212	0.2
153.01938	0.2
161.02477	0.2
163.00385	1.5
164.01170	0.5
169.01472	0.3
173.04549	0.2
175.02435	0.2
175.03972	0.3
176.70650	0.1
177.01913	0.2
178.99869	3.0
180.00331	0.2
183.04504	0.3
187.04021	0.4
190.99866	0.2
191.05547	0.2
192.00626	0.2
193.01251	0.1
198.03172	0.2
199.04041	0.6
201.01865	0.3
201.05531	0.2
203.03549	0.3
211.03961	0.8
213.01913	0.3
215.03490	0.5
216.04262	0.5
226.02748	1.1
227.03497	2.4
228.04039	0.2
229.05046	0.5
229.41809	0.2
239.03461	0.3
242.08315	0.1
243.02982	8.6
244.03441	0.6
245.04431	0.8
254.02225	1.7
255.02975	24.4
256.03384	1.2
257.04514	0.2
263.09387	0.2
271.02466	52.7
272.02939	3.4
273.03906	0.4
283.02435	0.7
284.03293	0.2
285.04059	0.2
299.01956	1.3
300.02737	97.4
301.03436	21.8
302.03845	0.8
355.04648	0.1
445.07343	0.2
463.08801	2.9
464.09290	0.1
505.09866	100.0
506.10214	7.6
544.57654	0.2
577.21063	0.2
579.13574	11.7
580.13892	1.1
749.23456	0.2
920.72089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.289
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01881	0.2
85.52311	0.1
93.03466	0.9
95.01399	0.2
100.61459	0.1
103.94947	0.1
107.01402	0.2
107.04990	0.2
109.02957	0.1
115.99344	0.1
116.39835	0.1
117.03467	2.6
118.57824	0.1
119.05038	0.7
123.04572	0.2
125.02457	0.2
131.05034	0.3
133.06593	0.2
135.04539	1.4
137.02452	0.3
145.02948	0.3
147.04506	0.6
148.01654	0.1
148.77281	0.1
149.02451	0.8
149.06097	0.3
150.03204	0.1
151.04044	0.2
151.96400	0.1
159.04514	0.4
161.02440	1.3
161.06061	0.2
162.03172	0.2
163.04027	1.0
164.01205	0.1
171.04616	0.2
173.02377	0.2
173.04535	0.4
173.06070	0.3
175.04002	1.1
175.72847	0.1
177.01929	0.6
177.05562	1.0
179.03496	0.4
185.02377	0.1
187.03964	0.3
189.01892	0.7
189.05582	0.4
191.03484	1.0
191.05447	0.2
197.06107	0.3
203.03499	0.8
205.05034	0.4
210.06819	0.2
211.07649	0.1
215.03511	0.2
217.05086	0.4
221.04593	0.3
223.07727	0.3
224.08342	0.1
225.05496	0.4
227.03490	0.3
233.04532	0.4
235.07716	0.2
237.05446	0.1
238.06366	0.2
239.07231	0.2
241.04996	0.2
245.04515	0.5
250.06429	0.1
251.07135	0.4
253.04906	0.2
253.08685	0.5
254.05951	0.2
256.05765	0.1
257.04532	0.2
262.65125	0.1
265.05173	0.2
265.08743	0.2
267.06638	0.4
268.04425	0.1
268.07272	0.7
269.04547	0.2
271.02560	0.2
277.08395	0.1
279.06607	0.3
281.04565	0.7
281.07822	0.2
282.05353	1.5
283.06107	2.3
293.04660	0.2
293.08228	0.3
294.05457	0.2
295.06110	3.9
296.06851	2.0
297.07663	15.0
298.08078	0.7
300.02850	0.3
301.03406	0.2
307.06110	1.5
308.06738	0.2
309.07648	2.2
310.08087	0.2
311.05582	2.2
314.04532	0.3
316.75253	0.1
319.06226	0.2
321.07510	0.2
322.05008	0.2
323.05655	2.5
323.09363	0.2
324.06125	0.6
325.07172	6.3
326.07507	0.3
327.08673	0.2
328.05850	2.8
328.09674	0.2
335.05719	0.9
337.07166	2.5
338.07629	0.2
339.08600	0.2
341.06891	0.3
350.04358	0.1
351.05261	0.6
351.08841	0.2
352.05896	0.1
353.06647	35.1
354.07028	2.3
355.08252	0.9
356.05432	0.8
361.07080	0.2
365.06622	4.6
366.07150	0.4
367.08237	0.3
377.06677	0.2
379.08350	0.5
381.06256	0.3
383.07703	27.7
384.08002	1.9
389.06683	0.2
395.07697	2.3
397.09332	0.5
407.07690	0.8
409.09637	0.2
413.08743	2.8
414.09122	0.2
425.08780	3.6
426.09036	0.3
437.08542	0.2
443.03714	0.2
443.09869	4.0
444.10052	0.2
455.09857	0.5
473.10876	4.6
474.11215	0.3
476.10016	0.1
485.11005	0.3
501.14349	0.1
503.11945	2.3
545.12750	0.9
563.14038	100.0
564.14392	9.0
564.23468	0.2
625.13953	0.5
675.19312	0.2
729.61780	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	1125.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03455	0.8
81.15400	0.4
83.05042	0.9
85.02948	4.6
87.00870	0.9
93.03458	20.3
107.04995	0.6
109.02949	1.5
111.00875	0.6
111.04527	3.7
111.06498	0.4
117.03468	0.7
125.02448	0.9
127.04024	1.3
133.02977	1.8
134.03735	3.3
135.04523	55.3
136.04890	1.1
137.02438	4.3
151.00374	2.8
155.03502	3.4
161.02422	2.3
163.03995	0.8
171.04466	0.5
173.04543	69.3
174.04918	1.6
175.00424	0.5
175.04102	0.6
177.01917	1.0
179.03494	46.1
180.03783	1.3
187.04086	0.4
191.05603	29.9
192.05916	0.8
199.03918	1.9
201.01906	0.7
203.03496	0.6
215.03487	1.1
227.03517	2.3
228.89064	0.5
243.02972	3.7
244.03519	0.4
255.02968	2.0
271.02463	46.6
272.02826	1.2
299.01956	87.3
300.02579	13.1
301.03519	8.8
302.03925	0.6
353.08749	88.7
354.09091	2.9
425.08279	0.4
462.08029	28.9
463.08582	3.1
609.14636	4.2
618.17896	0.4
771.19861	100.0
772.20160	10.1
787.19556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.9881
Annotation	Acetylenedicarboxylate
Peak:m/z	Relative Intensity
56.37063	0.3
57.03440	1.1
60.53600	0.3
67.01898	0.7
68.99570	100.0
69.03463	6.1
69.99901	0.9
70.34925	0.7
70.35309	0.7
71.01389	0.5
72.99302	1.2
85.02947	4.4
98.20597	0.5
112.98563	3.3
113.02441	3.0
114.05617	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32271	1.1
55.01877	30.8
67.01889	9.1
71.01389	7.6
71.22032	1.8
71.25073	1.2
78.95904	34.4
79.10674	1.1
79.95705	1.5
83.01386	100.0
84.01704	3.4
99.00890	2.2
108.54263	1.3
110.97565	4.7
111.00166	2.2
111.00889	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03455	2.9
83.01387	0.4
99.08179	0.8
101.06088	0.5
107.01409	0.4
109.02969	0.1
123.08172	2.2
124.01662	0.2
125.02453	4.0
125.06085	3.3
134.47385	0.1
136.05272	0.5
137.02484	0.1
141.09190	0.6
147.08162	0.8
149.02454	0.5
151.00369	0.7
152.01141	0.2
165.09209	20.4
166.09564	0.7
167.07072	0.3
177.01917	0.2
191.07126	1.6
205.08673	0.2
209.08189	100.0
210.08499	3.2
231.59964	0.1
233.08145	0.5
251.09332	0.8
290.10831	0.1
371.13452	32.6
372.13846	1.7
777.27484	0.2
895.81104	0.1
930.66107	0.2
963.34448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.9881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37063	0.3
57.03440	1.1
60.53600	0.3
67.01898	0.7
68.99570	100.0
69.03463	6.1
69.99901	0.9
70.34925	0.7
70.35309	0.7
71.01389	0.5
72.99302	1.2
85.02947	4.4
98.20597	0.5
112.98563	3.3
113.02441	3.0
114.05617	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13046	0.9
53.81342	0.9
55.01864	3.8
67.01892	21.8
70.31653	3.8
78.95905	100.0
83.01396	8.9
110.98569	2.1
111.00884	30.9
112.01203	1.1
112.39367	1.2
121.15571	1.0
125.12524	1.0
125.53928	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.009
Annotation	2-Furoate
Peak:m/z	Relative Intensity
50.13046	0.9
53.81342	0.9
55.01864	3.8
67.01892	21.8
70.31653	3.8
78.95905	100.0
83.01396	8.9
110.98569	2.1
111.00884	30.9
112.01203	1.1
112.39367	1.2
121.15571	1.0
125.12524	1.0
125.53928	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	3-FUROIC ACID
Peak:m/z	Relative Intensity
55.01882	30.5
60.63121	1.3
61.47704	1.2
65.12691	1.4
67.01901	8.4
69.34053	9.0
70.96305	1.2
71.01392	8.3
78.95485	2.4
78.95908	29.9
83.01386	100.0
84.01707	2.8
84.31424	1.6
84.97870	1.7
98.56411	1.3
101.93734	1.7
110.46797	1.4
110.97566	3.8
111.00874	29.6
112.01171	1.9
114.71969	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	0.3
83.05040	0.2
85.02949	0.9
86.18986	0.1
93.03451	1.0
107.01369	0.6
109.02983	0.3
111.04532	0.2
119.05029	6.5
120.05362	0.2
121.02982	0.2
125.02438	0.4
127.04005	0.2
133.02977	0.3
135.04501	0.2
137.02521	0.1
147.00908	0.1
151.00380	2.2
151.19225	0.1
155.03494	0.3
155.04994	0.2
163.04010	9.5
164.04338	0.3
169.01399	0.2
171.04497	0.4
173.04539	1.4
175.00351	0.5
175.03975	0.4
177.01839	0.2
178.99915	0.9
187.04008	0.4
191.05608	5.8
198.03195	0.2
199.03979	1.7
201.01947	0.4
203.03517	0.2
205.05049	0.2
211.03941	0.2
215.03528	0.8
226.02713	0.5
227.03519	1.9
232.67148	0.2
242.02237	0.2
243.02969	2.8
244.03499	0.2
247.07806	0.1
254.02338	0.2
255.02980	1.7
271.02463	40.1
271.54108	0.1
272.02832	1.9
273.04019	0.2
293.06839	0.1
297.88937	0.1
299.01953	80.4
300.02597	11.2
301.03506	8.4
302.03937	0.3
312.02563	0.2
313.03549	0.2
314.16409	0.2
320.62323	0.2
337.09280	7.0
338.09579	0.4
342.03900	0.2
343.04770	0.4
353.08795	0.2
355.04840	0.2
445.07877	0.2
462.08029	28.0
463.08505	2.5
489.09952	0.2
609.14685	3.8
610.14594	0.5
651.14850	0.2
771.19861	100.0
772.20221	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	1103.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03459	1.5
83.01402	1.0
83.05014	0.2
85.02957	1.3
85.52253	0.2
87.00883	0.4
92.64565	0.2
93.03461	7.5
95.01389	0.4
95.05030	0.8
97.02953	0.8
99.00895	0.4
99.04523	1.2
107.05006	0.2
109.02956	1.0
111.04505	1.5
113.02467	1.2
121.02974	0.7
123.04530	0.6
124.01672	0.3
125.02450	8.9
127.03981	0.3
129.01944	0.3
129.07085	0.3
130.00246	0.2
131.05049	0.3
135.04482	0.3
137.02446	10.1
139.03998	0.5
141.07060	0.2
147.04483	0.4
149.02434	0.8
151.03954	0.3
155.03497	1.9
157.06488	0.5
159.04541	0.6
159.08168	0.6
161.06114	0.5
163.04085	0.3
164.01176	0.5
165.01933	6.9
167.03494	10.4
169.06580	0.9
171.04463	0.3
171.08141	0.3
172.05275	0.7
173.04567	17.2
173.06024	2.0
174.04881	0.4
175.02451	0.3
175.03894	0.5
177.01971	0.5
179.03477	0.3
181.05075	0.5
181.06546	0.5
182.03632	0.3
183.04468	0.3
184.05266	0.2
185.06036	1.3
187.04010	0.4
187.07687	1.7
188.04620	0.3
189.05569	0.4
191.03859	0.3
191.05569	2.0
195.04456	0.5
196.05249	0.9
197.06073	9.8
198.03127	0.5
198.06718	0.8
199.03987	3.1
199.07599	1.2
200.04759	1.5
201.05568	2.2
203.03467	0.8
209.06050	0.6
211.04022	0.7
211.07652	0.3
212.04756	0.7
213.05550	3.9
214.02713	0.3
214.06291	2.1
215.03554	1.4
215.07115	27.2
216.04253	0.4
216.07391	1.1
217.05045	9.8
220.74963	0.3
221.06059	0.2
223.04019	0.2
224.04791	1.2
225.05565	14.3
226.05980	0.6
227.03482	7.3
227.06848	1.1
228.04228	2.9
229.01413	0.4
229.05023	1.4
231.03014	0.4
231.06622	0.5
235.03951	0.4
235.07640	0.4
236.04803	0.5
237.05598	2.0
238.06305	0.5
239.03436	0.4
239.07106	0.6
240.04295	0.4
241.05046	9.0
242.05734	0.9
243.06609	44.7
244.06992	1.9
245.04480	0.4
246.05255	0.6
249.05579	0.3
249.09229	0.3
251.03484	0.9
251.07103	0.7
253.05031	2.3
253.08632	0.8
254.05792	0.9
255.02974	1.1
255.06607	4.5
256.03790	0.7
259.05908	2.9
262.06345	0.3
263.03470	0.6
263.07108	0.6
264.04260	1.0
264.07809	0.2
265.05042	2.2
266.05688	0.3
267.02939	0.2
269.04507	1.7
271.06119	7.7
272.06509	0.2
273.03934	0.3
273.09195	0.3
275.07156	0.7
276.07834	0.6
277.05789	0.2
277.08618	1.3
279.06586	1.0
279.09653	0.2
280.07330	0.5
281.04526	0.7
281.08209	1.5
283.06091	3.8
284.03247	5.0
284.06311	0.3
285.03680	1.1
287.05576	14.4
288.05920	0.7
289.05060	0.3
291.06763	0.2
293.08212	0.5
294.09091	0.3
295.06573	0.3
295.09586	1.3
297.04037	0.9
297.07571	0.5
298.04779	0.7
299.05585	5.3
300.05737	0.2
301.08685	0.7
303.06622	1.5
303.10007	0.5
304.07278	1.3
305.04684	0.5
305.08054	2.8
307.06250	1.1
309.04013	0.9
313.10843	0.4
315.05096	17.8
316.05380	0.9
317.08191	0.4
318.08731	0.2
319.06253	0.3
319.09671	1.6
321.07690	1.3
321.11032	0.3
322.08255	0.3
323.05762	0.3
323.09207	3.2
325.07135	0.9
327.05142	2.4
329.08121	0.8
331.06161	0.5
335.09579	0.2
337.10825	1.3
339.08493	0.5
345.07730	0.8
347.05426	0.6
347.09229	3.0
348.06274	0.3
349.07220	2.5
355.05905	0.2
359.93524	0.3
363.08746	1.7
365.06372	0.4
365.10294	1.1
367.08243	2.6
373.07129	1.7
381.09653	1.2
389.06567	0.8
391.08240	5.1
392.08774	0.4
393.05850	0.4
407.07764	0.4
409.09308	9.3
410.09680	0.5
417.06314	1.0
425.08826	0.3
435.07175	4.7
436.07199	0.3
453.08255	83.1
454.08594	6.2
462.26169	0.2
475.08838	3.3
489.10361	4.2
490.10452	0.5
606.41431	0.2
609.12311	1.0
627.13525	100.0
628.13824	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	1093.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
77.88672	0.1
83.01394	0.4
85.02947	0.7
91.01939	0.1
93.03465	0.6
107.01389	1.1
108.02165	0.9
109.02962	0.3
111.04587	0.1
119.01395	0.1
119.05053	0.2
121.02940	0.4
125.02437	0.2
127.04063	0.2
127.97732	0.1
135.00905	0.6
135.90207	0.1
137.02461	0.1
145.03006	0.2
148.01668	0.8
151.00377	4.1
151.01587	0.2
153.01852	0.2
161.02466	0.1
163.00401	0.5
163.04054	0.3
164.01091	0.3
165.44249	0.1
169.01575	0.2
171.04462	0.1
173.04579	0.2
175.04066	0.2
178.99873	2.7
179.01343	0.2
187.04027	0.2
191.02014	0.3
191.05614	6.7
192.00636	0.2
192.05951	0.2
198.03069	0.2
199.03906	0.5
201.02013	0.2
203.03560	0.2
211.03986	0.4
215.03500	0.4
216.04256	0.3
226.02705	1.1
227.03500	1.9
229.01581	0.2
229.04991	0.3
243.02979	7.4
244.03523	0.5
245.04436	0.3
254.02226	1.7
255.02986	20.2
256.03339	0.8
257.04916	0.1
271.02475	44.1
272.02994	2.8
273.03976	0.5
283.03064	0.1
284.03381	0.2
285.03955	0.1
285.24460	0.1
299.01993	2.1
299.05280	0.2
300.02740	83.8
301.03360	8.7
302.03818	0.2
325.03293	0.2
337.09189	1.3
343.04559	0.4
409.05725	0.2
489.10361	0.4
591.12823	0.1
659.85333	0.1
755.20374	100.0
756.20789	8.2
757.21045	0.2
832.64716	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	1087.6581
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05021	1.0
85.06582	0.6
98.38997	0.1
107.05018	0.6
109.06646	0.1
119.08662	0.3
120.05828	0.1
121.06613	0.4
123.08163	13.0
124.08497	0.2
125.02453	0.2
126.39844	0.1
129.07201	0.1
133.06593	0.2
134.07358	0.8
135.08167	2.5
135.11783	0.3
136.05336	0.1
149.09694	0.1
168.20511	0.1
171.08159	0.1
173.09698	1.5
173.13377	0.2
175.11284	0.3
175.14912	1.1
188.11925	0.1
191.14432	0.1
209.11807	2.1
211.13510	0.1
215.14418	0.1
218.91649	0.1
219.10226	0.3
227.12897	0.3
227.18060	0.7
229.23204	0.1
235.08197	0.2
253.09273	0.5
253.15953	0.2
255.17574	0.4
266.11649	0.2
269.19095	9.3
270.19333	0.5
271.20657	3.4
272.21045	0.2
293.21237	1.8
294.21646	0.2
315.19623	100.0
316.19958	6.1
316.23782	0.2
445.20898	0.2
739.43207	0.1
1100.70972	0.1
1128.23242	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	1073.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03469	1.4
83.01395	1.2
83.05022	0.4
85.02943	1.5
87.00871	0.3
87.07938	0.3
93.03458	8.8
95.01374	0.5
95.05056	0.8
97.02961	0.8
99.00912	0.5
99.04515	1.2
100.28078	0.3
104.40007	0.3
109.02943	1.3
111.04509	1.5
113.02470	1.4
119.05025	0.6
121.02944	0.7
123.04511	1.0
125.02448	8.7
135.04523	0.4
137.02441	10.1
138.02858	0.3
139.03963	0.7
144.46857	0.3
147.04507	0.3
149.02396	0.7
151.00317	0.3
151.03987	0.5
155.03473	2.1
157.06575	0.8
159.04504	0.9
159.08195	0.5
161.02422	0.5
163.00290	0.4
163.04019	0.8
164.01163	0.9
165.01923	7.6
166.02661	0.3
167.03505	9.7
167.04918	0.7
169.06609	1.0
171.04520	0.7
172.05292	0.6
173.04558	17.1
173.06021	1.9
174.05013	0.3
175.02539	0.7
175.03999	0.7
177.01913	0.6
179.03531	0.7
181.05063	0.4
181.06549	0.5
182.03632	0.3
183.04478	0.8
185.06029	1.4
187.03983	0.5
187.07628	1.8
191.05621	2.7
195.04416	0.4
196.05284	1.1
197.02362	0.3
197.06070	9.7
198.03230	0.8
198.06827	0.5
199.03960	2.5
199.07613	1.0
200.04805	1.3
201.05534	2.3
203.03540	0.9
205.05124	0.4
209.06026	0.4
211.04018	0.5
211.07483	0.4
212.04776	0.9
213.05557	4.5
214.02728	0.4
214.06303	2.0
215.03578	1.8
215.07114	26.6
216.04196	0.5
216.07449	1.0
217.05046	9.0
223.04167	0.4
224.04761	1.3
225.05559	14.2
226.02727	0.6
226.06085	0.7
227.03502	7.0
227.06984	1.6
228.04277	3.2
229.01456	0.6
229.05011	1.6
231.06628	0.8
235.03893	0.4
235.07663	0.4
237.05544	1.9
239.07091	0.5
240.04282	0.4
241.05061	8.7
242.02373	0.3
242.05701	0.9
243.06607	40.8
244.06908	1.8
246.05278	0.9
249.05591	0.3
251.03401	0.5
251.07127	0.7
252.07841	0.4
253.05084	2.7
253.08664	0.7
254.05809	0.8
255.02841	0.6
255.06602	3.8
257.04483	0.4
259.05991	2.8
262.06427	0.3
263.03745	0.3
263.07050	0.6
264.04077	0.4
265.04959	2.6
265.07675	0.4
266.05807	0.5
267.06625	0.4
269.04572	7.1
270.04959	0.6
271.06088	8.7
272.06567	0.3
273.04373	0.3
275.07156	0.6
276.07925	0.4
277.05484	0.3
277.08710	1.2
278.05576	0.4
279.02820	0.3
279.06564	1.2
279.09839	0.3
280.07471	0.5
281.04553	0.8
281.08133	1.3
282.05270	0.3
283.06058	3.1
285.03983	0.6
287.05563	13.6
293.08099	0.6
295.09586	1.4
297.04062	1.1
297.07550	0.6
298.04767	0.5
299.05460	0.8
301.03448	0.4
301.08734	0.6
303.06570	1.2
303.09802	0.3
304.07333	1.3
305.04633	0.5
305.08142	3.1
307.06110	1.1
309.03976	0.5
315.05075	18.7
316.05383	0.7
317.08124	0.4
318.08600	0.4
319.06287	0.4
319.09702	1.5
321.07617	1.1
323.09213	3.2
325.07187	0.8
327.05081	2.5
329.08160	0.7
331.06049	0.6
337.10834	1.4
345.07504	0.9
347.05624	0.5
347.09235	2.8
348.06161	0.4
349.07251	2.4
363.08624	1.8
365.10229	1.1
367.08093	2.7
373.07138	1.5
381.09644	0.6
389.06635	1.2
391.08191	5.4
393.06061	0.4
405.09680	0.5
406.10242	0.4
407.07684	0.5
409.09256	8.9
410.09531	0.4
417.06424	0.5
421.12634	0.3
435.07114	4.6
436.07855	0.3
445.07993	1.7
447.25983	0.5
453.08252	80.3
454.08533	4.9
478.16632	0.3
489.10391	4.9
509.13486	0.3
609.12726	0.6
625.12708	0.4
626.12048	0.4
627.13501	100.0
628.13977	8.2
648.68170	0.3
911.31641	0.4
932.88538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.226
Annotation	Unknow
Peak:m/z	Relative Intensity
75.52723	0.1
83.01396	0.4
85.02954	2.1
87.00869	0.7
89.02455	0.3
93.47585	0.1
95.01396	0.5
95.31869	0.1
99.00919	0.8
103.00362	0.3
103.15671	0.1
105.03448	0.3
107.01388	1.8
108.02161	0.4
109.02960	0.7
113.02441	1.5
115.00366	0.2
117.01943	0.2
121.02970	0.6
124.01670	0.1
125.02424	0.2
129.01932	0.2
132.02180	0.1
133.02953	5.3
135.00859	0.2
147.04535	0.2
148.01677	0.5
149.02446	1.6
151.00365	4.9
151.01588	0.3
152.00864	0.1
157.02975	0.2
159.04501	0.2
163.00377	0.5
164.01225	0.3
171.04488	0.3
175.02473	0.4
175.03981	2.4
177.01894	0.4
178.99889	1.2
183.04427	0.2
185.06052	0.4
187.03897	0.2
189.05530	0.2
192.00572	0.1
196.05377	0.2
197.06052	0.4
198.03171	0.5
199.04004	2.3
201.01961	0.8
211.03990	0.3
213.05460	0.6
215.03564	0.7
216.04337	0.2
217.05009	1.3
226.02753	0.7
227.03537	1.0
229.04971	0.3
239.03369	0.3
240.04298	0.2
241.04987	0.8
242.02148	0.2
243.02989	4.2
244.03531	0.3
254.02068	0.7
255.02985	9.7
256.03467	0.6
257.04553	0.5
267.02963	0.3
271.02466	22.7
272.02933	1.3
273.03824	0.2
284.03403	0.6
285.04031	100.0
286.01129	0.2
286.04376	4.3
297.03955	0.3
298.04819	0.2
299.02206	0.8
299.05115	0.2
300.02737	42.5
301.03372	3.9
327.05017	1.2
339.05005	0.2
355.04443	0.3
357.06216	0.9
369.06213	0.1
381.06143	0.2
461.07233	59.6
462.07626	3.6
609.14569	42.5
610.14923	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	1071.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	0.7
85.02934	1.5
87.00887	0.4
90.14550	0.2
91.01917	0.3
93.03452	0.2
95.01400	0.4
98.19913	0.7
99.00875	0.7
107.01381	2.6
108.02184	0.7
109.02937	0.9
109.38728	0.2
113.02444	1.2
115.00391	0.3
117.02009	0.2
119.01334	0.2
121.02950	1.3
125.02435	0.4
133.02948	4.2
135.00859	0.3
148.01674	0.6
149.02425	1.4
151.00357	8.3
152.01064	0.2
159.04449	0.3
161.02464	0.2
163.00397	1.1
163.03969	0.2
164.01125	0.3
169.01442	0.6
171.04463	0.3
175.02499	0.4
175.03940	1.8
177.01961	0.3
178.99884	2.7
185.05959	0.3
187.04022	0.3
189.05524	0.3
192.00819	0.3
199.03955	2.0
201.01913	0.7
201.05479	0.2
207.02673	0.2
211.03986	0.5
213.05605	0.3
215.03470	0.7
216.04266	0.3
217.05049	0.9
226.02704	1.0
227.03471	1.8
229.05043	0.6
239.03404	0.5
241.05009	0.5
243.02943	6.4
244.03569	0.4
245.04514	0.6
254.02199	1.5
255.02971	16.9
256.03436	0.7
257.04559	0.3
271.02460	37.2
272.03003	2.3
273.03931	0.3
279.88693	0.2
283.02484	0.3
284.03302	0.5
285.04022	78.1
286.04382	2.9
297.04181	0.2
299.02060	1.0
300.02722	75.8
301.03442	18.1
302.03891	0.8
327.05066	0.9
343.04477	0.7
357.06198	0.5
447.65646	0.2
461.07220	40.8
462.07632	2.6
609.14569	100.0
610.14868	7.5
646.61713	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5745
Annotation	Unknow
Peak:m/z	Relative Intensity
80.66591	0.7
83.01366	1.2
83.69379	0.6
85.02950	3.0
87.00868	2.8
89.02444	7.3
93.03480	0.8
95.01375	0.9
97.02958	4.3
99.00836	0.7
101.02464	6.1
109.03066	0.7
109.06541	0.6
111.08153	5.0
113.02409	4.2
113.44493	0.7
116.92866	1.0
119.03482	1.3
123.04543	0.7
125.02452	4.4
137.02487	0.8
137.09705	1.1
141.01750	0.7
143.03503	1.5
153.12849	0.9
161.04587	1.6
163.11281	1.6
164.42737	0.6
165.12834	4.0
169.12294	2.2
171.10263	3.1
179.05594	2.8
179.14453	0.8
181.12411	0.9
183.13843	1.6
193.15938	1.0
197.11838	25.4
199.13454	1.4
207.10239	0.7
209.11832	2.7
211.13432	4.9
221.06606	1.7
223.13396	0.8
227.12883	3.4
235.08177	2.8
247.20566	2.1
263.20102	1.5
265.17862	0.7
273.18558	2.0
287.07635	1.0
291.19656	29.6
292.20172	1.2
305.08731	1.1
309.20703	100.0
310.21057	3.3
323.09778	1.1
369.26617	0.8
379.12415	2.1
397.13504	24.6
398.13565	0.8
415.14511	12.7
601.41064	3.0
619.90222	0.7
636.18469	0.7
689.33734	7.4
707.34906	12.5
999.55579	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	1055.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
79.19409	0.2
81.72383	0.2
82.77494	0.2
83.01385	1.0
85.02946	1.3
87.00871	0.2
91.01894	0.2
93.03463	0.5
95.01409	0.4
98.19881	0.3
99.00906	0.4
107.01389	3.7
108.02197	1.0
109.02939	2.0
111.00875	0.2
113.02457	2.1
117.03468	0.5
119.01366	0.5
121.02151	0.3
121.02951	3.3
125.02406	0.3
135.00871	0.5
137.02451	0.3
139.04021	0.2
142.03609	0.2
148.01663	0.6
149.02408	0.8
151.00365	15.6
159.04512	0.5
161.02480	0.4
163.00383	3.0
163.03983	0.3
164.01093	0.6
165.01878	0.2
169.01457	0.5
173.06131	0.2
175.02449	0.8
175.03922	0.3
178.99854	8.2
183.04524	0.7
185.06032	0.3
187.03986	0.6
189.05499	0.3
190.99863	0.3
192.00597	0.4
193.01401	0.4
199.04002	0.6
201.01889	0.2
201.05518	0.6
203.03386	0.5
205.90332	0.2
211.03995	1.3
212.04912	0.2
214.02713	0.2
215.03465	0.7
216.04224	0.2
225.05568	0.4
226.02623	0.9
227.03526	2.3
228.04036	0.3
229.05009	1.2
239.03510	0.5
240.04202	0.3
243.02956	5.9
244.03403	0.3
245.04559	1.9
246.04884	0.2
254.02310	1.1
255.02975	16.4
256.03467	0.9
257.04474	0.3
266.02243	0.4
269.04535	12.0
270.04703	0.8
271.02466	33.6
272.03003	2.1
273.04120	1.5
283.02499	1.8
299.02008	1.6
299.95789	0.3
300.02744	54.4
301.03506	82.1
302.03894	3.3
329.14008	0.4
330.14270	0.2
400.07242	0.2
445.07745	3.1
446.08032	0.2
447.08719	0.2
464.09250	0.3
465.09634	0.2
591.13538	100.0
592.13849	8.2
609.14337	1.3
639.31989	0.2
819.74573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02946	0.1
75.00873	0.5
83.01387	0.5
85.02950	2.0
87.00891	0.5
89.02457	0.4
89.58644	0.1
93.03463	0.1
95.01387	0.6
98.19932	0.1
99.00883	1.0
101.02448	0.2
103.00398	0.2
105.03472	0.3
107.01392	1.6
109.02970	0.6
113.02444	1.8
114.02758	0.1
115.00387	0.4
117.01913	0.2
121.02958	0.5
125.02396	0.2
129.01932	0.2
132.02187	0.2
133.02954	5.1
134.03264	0.2
135.04503	0.2
147.04497	0.2
148.01674	0.1
149.02435	1.4
151.00369	3.8
152.00757	0.1
161.02409	0.1
161.13371	0.2
169.06619	0.1
171.04501	0.4
173.06084	0.2
175.02484	0.3
175.03961	2.3
177.01920	0.5
178.99805	0.1
185.06023	0.3
187.03983	0.2
187.11287	0.3
189.05583	0.2
191.01184	0.1
197.06030	0.3
198.03180	0.4
199.03992	2.0
200.04367	0.1
201.01974	0.6
205.12318	0.2
211.03922	0.3
212.04826	0.1
213.05534	0.6
215.03488	0.3
217.05013	1.3
223.04019	0.2
226.02701	0.2
227.03508	0.4
229.05005	0.3
239.03471	0.3
240.04341	0.1
241.04988	0.9
242.02106	0.2
243.03008	0.9
249.11317	0.3
255.03004	0.9
257.04645	0.5
267.03003	0.3
268.03760	0.1
271.02496	0.9
284.03290	1.0
285.04037	100.0
286.04385	4.8
287.04523	0.3
297.03970	0.4
297.07175	0.1
298.04688	0.1
299.05640	0.2
300.02786	1.7
301.03470	0.6
311.05417	0.1
327.05063	1.2
339.05103	0.1
351.05212	0.1
353.06586	0.2
353.36548	0.1
355.04565	0.3
357.06125	0.9
369.06122	0.3
381.05908	0.3
399.07309	0.2
411.16605	0.2
429.17657	1.0
430.18018	0.2
461.07239	53.6
462.07596	3.2
463.08578	1.9
575.13995	0.2
591.22565	1.0
592.23511	0.2
593.15344	0.7
593.23877	0.1
958.71967	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	1035.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
71.69645	0.1
78.69406	0.1
93.03470	0.4
95.01397	0.1
95.27229	0.1
107.01417	0.2
108.02200	0.2
115.92683	0.1
117.03463	0.5
121.02977	0.2
123.00881	0.3
124.01675	0.1
125.02445	0.3
130.04251	0.6
131.05034	0.3
132.02171	1.1
145.02951	11.9
146.03285	0.2
148.01643	0.4
151.00375	0.7
156.05836	0.2
161.02420	0.7
162.03174	0.2
167.05040	0.2
169.01451	0.2
169.06575	0.3
170.07365	0.4
171.08043	0.2
176.01219	0.4
181.06586	1.3
182.07370	0.9
183.04482	0.2
184.05304	0.3
185.06067	0.1
189.01955	0.4
193.06567	0.4
194.07341	0.5
195.04480	0.4
197.06090	2.0
198.06851	2.6
199.07411	0.2
200.04749	0.2
201.05501	0.3
208.05252	0.6
209.06070	7.7
209.11810	3.5
210.06848	16.0
211.04056	0.8
211.07185	0.7
212.04729	0.4
213.05617	0.2
213.09207	1.4
220.05246	0.2
221.06071	1.4
223.04002	0.8
224.04539	0.1
225.05588	1.6
225.09166	0.9
226.06337	4.8
227.06824	0.3
227.12912	0.6
235.08313	0.1
236.04803	0.6
237.05559	7.2
238.06339	19.9
239.03493	1.1
239.06512	0.7
240.04121	0.1
241.08719	1.4
242.05878	0.3
243.10306	0.2
252.07993	0.4
253.05167	0.9
253.08688	15.4
254.05827	2.1
254.08983	0.7
255.06578	0.2
264.04248	1.0
265.04990	0.4
267.02814	0.1
269.08179	3.3
270.08392	0.2
279.06592	0.6
280.07364	0.1
281.04565	1.1
282.05325	5.2
283.05798	0.2
297.07660	100.0
298.08011	3.9
445.20618	0.3
650.81512	0.1
726.90234	0.1
761.63611	0.1
823.15594	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	1039.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99293	0.8
73.02939	0.6
75.00484	0.3
75.00873	3.3
83.01367	0.7
85.02951	16.9
87.00887	1.9
89.02440	1.2
95.01389	4.7
99.00883	6.4
103.00372	2.5
107.01389	0.6
109.03914	0.3
111.00858	0.5
113.02451	28.1
114.02776	0.4
115.00411	1.4
117.01935	2.2
124.03321	0.2
125.02419	0.7
129.01970	1.4
137.02467	0.3
139.00325	0.3
139.74217	0.2
140.13272	0.2
151.00385	1.3
157.01418	0.8
175.02473	13.9
180.74985	0.3
200.04822	0.4
211.04089	0.7
212.04771	0.3
227.03481	0.7
241.05038	0.6
255.02924	1.2
256.03757	5.5
269.04623	0.6
283.02469	0.6
284.03253	92.9
285.03671	4.3
298.04788	0.6
299.05597	100.0
300.05902	4.1
341.06717	0.7
371.07980	0.5
434.96622	0.3
475.08801	84.6
476.09253	5.1
563.12024	1.6
564.13226	0.3
599.36133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01394	0.1
71.51909	0.1
71.52303	0.1
73.02950	0.8
82.34036	0.1
83.86848	0.1
88.98820	0.1
97.93142	0.2
99.00873	0.1
99.92583	18.0
100.92584	0.4
114.93413	0.9
116.92862	100.0
117.01933	1.2
117.92870	2.6
117.93501	0.1
157.70483	0.1
194.65565	0.1
209.11800	0.3
211.62358	0.1
293.21277	0.1
305.50800	0.1
327.21701	0.2
351.17221	0.1
397.13602	0.1
609.54193	0.1
949.94598	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	102.986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.5
58.99603	100.0
59.01365	3.7
59.99925	2.3
63.77681	1.1
70.65172	3.2
71.01340	1.4
73.02927	1.7
74.99085	3.1
99.17171	1.2
102.98595	30.2
103.04024	5.2
103.98899	1.2
104.38805	1.1
116.11351	1.2
122.26048	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
76.88542	11.9
80.12537	13.2
84.96432	12.3
98.83545	12.4
99.08318	12.9
99.92551	19.8
116.92836	64.5
125.02432	12.6
186.24855	12.6
223.13258	14.1
293.21338	100.0
294.21548	64.3
295.21826	36.2
312.96271	14.0
351.15161	13.1
408.94812	12.8
528.18988	14.2
868.37201	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	1011.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	0.5
83.01403	0.4
85.02946	0.8
91.01906	0.2
93.03455	0.2
95.01389	0.2
107.01395	1.6
108.02192	0.8
108.65738	0.2
109.02932	0.7
113.02435	0.4
121.02961	0.9
125.02428	0.4
127.44369	0.1
133.02969	1.4
135.00877	0.4
137.02472	0.2
148.01630	0.9
149.02405	0.5
151.00366	6.0
152.00920	0.2
161.02415	0.2
163.00334	1.5
164.01151	0.4
167.05020	0.2
169.01405	0.3
175.03989	0.7
178.99866	3.0
183.04556	0.2
185.06042	0.3
187.03984	0.4
190.99834	0.2
198.03053	0.2
199.03909	0.8
201.01953	0.2
201.80305	0.2
203.03520	0.2
206.62007	0.2
211.03989	0.9
213.05453	0.2
215.03546	0.4
216.04179	0.2
217.05139	0.3
226.02747	0.6
227.03517	1.5
228.04062	0.2
229.04962	0.4
239.03348	0.2
243.02972	6.2
244.03511	0.4
245.04445	0.6
254.02155	1.4
255.02974	19.4
256.03320	0.7
257.04535	0.3
259.02664	0.2
271.02463	40.2
272.02969	2.4
273.04016	0.4
283.02399	0.6
284.03079	0.3
285.04028	22.4
286.04486	0.9
297.03967	0.2
299.02005	1.2
300.02734	78.4
301.03458	19.5
302.03745	1.0
327.04849	0.3
343.04724	0.3
353.08841	0.2
368.53207	0.2
461.07220	12.8
462.07455	0.6
463.08847	2.5
505.09851	100.0
506.10150	6.3
579.13440	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
77.45904	0.2
83.01377	0.3
85.02927	0.3
92.18089	0.2
93.03428	0.3
96.96001	0.2
107.01405	1.5
108.02168	0.7
109.02973	1.1
119.05006	0.9
121.02943	0.9
124.01620	0.3
125.02404	0.6
128.98541	0.2
128.99539	0.2
135.00896	0.6
148.01685	0.7
151.00369	6.3
151.01596	0.4
159.04529	0.3
163.00368	1.2
163.04079	0.8
164.01154	0.6
169.01459	0.4
169.24933	0.2
175.04129	0.2
177.01794	0.2
178.99838	3.0
183.04472	0.3
187.03893	0.3
192.57651	0.2
199.03905	0.4
201.05562	0.3
203.03419	0.3
211.04001	0.9
215.03476	0.5
216.04185	0.3
226.02742	0.8
227.03505	1.9
229.01111	0.2
229.04977	0.4
243.02983	5.9
244.03629	0.5
245.04535	0.9
254.02165	1.6
255.02975	18.8
256.03391	1.4
257.04440	0.3
271.02469	37.1
272.02936	3.0
273.03802	0.8
283.02438	0.5
285.03970	0.6
299.02039	0.9
300.02737	79.7
301.03424	22.8
302.03607	1.7
315.05261	0.2
335.80637	0.2
433.08572	0.2
457.13422	0.5
463.08856	4.2
464.08899	0.5
505.09869	100.0
506.10178	9.2
507.10483	1.7
549.08746	0.6
614.72595	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93732	0.2
71.01385	0.3
72.54676	0.2
76.16998	0.2
83.01405	0.5
85.02952	1.7
85.30624	0.2
87.04485	0.3
88.51972	0.3
93.03451	0.9
98.19941	0.4
107.01386	1.5
108.02185	0.8
109.02970	0.8
111.31610	0.2
119.05057	0.3
121.02968	0.7
125.02410	0.7
133.03008	0.2
135.00815	0.6
135.04538	2.4
139.27138	0.2
148.01682	0.7
149.02412	0.3
150.99193	0.4
151.00363	5.8
155.03581	0.3
159.04443	0.3
161.02438	0.5
163.00342	0.9
163.04008	0.5
164.01164	0.5
169.01326	0.3
173.04556	2.1
178.99892	2.2
179.03488	2.5
187.04022	0.2
191.02028	1.1
191.05618	4.7
195.13869	0.3
199.03923	0.5
199.29309	0.2
209.02998	1.0
211.04066	0.3
215.03496	0.4
216.04303	0.4
226.02660	0.8
227.03534	1.7
229.04999	0.3
243.00435	0.4
243.02954	5.7
244.03604	0.4
245.04488	0.7
254.02203	1.5
255.02974	17.9
256.03391	0.9
271.02463	37.6
272.02933	2.4
273.03995	0.6
283.02524	0.5
285.03983	0.4
299.01953	0.8
300.02734	80.4
301.03442	20.4
302.03717	1.0
335.07568	0.3
343.04648	0.3
353.08743	4.0
385.90945	0.2
463.08789	2.9
467.11688	1.8
467.17059	0.2
505.09863	100.0
506.10181	7.3
507.10437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30133	0.4
72.99308	1.0
73.02963	0.4
75.00876	2.1
83.01373	0.7
85.02953	9.6
87.00866	1.5
88.70287	0.2
89.02457	0.5
93.03445	0.5
95.01400	2.6
95.05014	0.2
96.01723	0.2
99.00886	3.1
103.00366	1.0
107.01393	1.6
109.02929	0.3
111.00821	0.2
113.02451	17.6
115.00368	0.9
117.01948	0.8
117.03481	1.5
125.02443	1.0
129.01921	0.8
132.02188	0.7
134.03719	0.3
135.00856	0.5
137.02446	1.3
139.04033	0.3
148.77834	0.2
149.02417	0.7
151.00352	1.9
151.04059	0.2
152.03551	0.5
155.40004	0.2
157.01378	0.4
157.06718	0.2
159.04497	0.5
161.02472	0.5
163.00348	0.9
165.01959	0.4
167.03506	0.6
171.04474	0.3
175.02477	8.2
175.04004	0.4
183.04459	0.6
184.65717	0.3
185.06084	0.4
187.04015	0.6
189.05507	0.4
195.04585	0.3
197.06088	0.5
199.04007	0.7
200.04781	0.3
201.05540	0.5
203.43051	0.2
209.07997	0.3
211.03989	1.6
213.05586	0.4
214.02661	0.2
215.03531	0.4
225.05476	0.8
227.03485	14.7
228.03964	0.8
229.05035	2.8
239.03496	0.7
240.04036	0.4
241.04990	1.6
255.02980	36.1
256.03619	4.2
257.04575	2.3
267.75104	0.2
269.04541	35.9
270.04883	1.7
281.04346	0.4
283.02454	0.6
284.03250	100.0
285.03949	19.1
286.04382	0.9
293.10245	1.0
299.05594	36.5
300.05893	1.5
301.03461	0.4
323.11386	0.8
327.05057	0.4
353.12671	0.3
407.07874	0.3
413.14334	0.6
425.08618	0.5
445.07727	11.7
446.08157	0.7
447.09430	1.2
475.08820	27.9
476.09320	1.7
489.10364	81.3
490.10703	5.5
533.18805	1.0
563.11981	4.0
564.12482	0.4
651.15350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82556	0.2
74.39888	0.0
79.01889	0.1
79.95736	0.3
80.02691	0.1
81.03470	0.1
83.05013	0.1
83.27051	0.0
87.85445	0.0
93.03460	0.6
94.98082	0.1
95.01376	0.5
95.05036	0.1
97.02951	0.1
101.02454	0.1
105.03468	0.1
106.00596	0.1
106.04247	1.2
107.01389	1.4
108.02216	0.2
109.02955	2.7
111.00874	0.1
117.03460	0.1
119.05036	0.4
119.14720	0.0
121.02946	0.4
122.03730	0.4
123.00887	2.0
124.01665	0.5
125.02433	0.2
132.02145	0.3
132.05748	0.1
133.02963	1.3
133.06554	0.1
134.03760	0.7
136.01648	0.1
137.02446	4.8
138.02846	0.1
139.00327	0.1
145.02953	0.8
146.03712	0.1
147.04491	0.1
148.01639	0.1
149.02451	1.0
149.99591	2.3
150.03220	2.0
151.00369	2.0
152.01106	0.2
153.02034	0.1
154.02727	0.2
160.01663	0.9
161.02428	0.2
161.04559	0.1
161.06078	0.4
163.00327	0.1
163.11273	0.1
165.01878	0.1
165.12846	0.1
166.02718	0.1
169.01372	0.5
169.06528	0.1
177.00342	0.1
177.01936	3.2
178.02710	21.0
179.03085	0.4
182.02258	0.1
183.08067	0.1
191.03464	0.1
191.10637	0.1
193.05025	0.2
197.06078	0.2
197.12883	0.1
198.06731	0.1
199.07582	0.1
200.08267	0.0
209.11826	7.1
210.01643	0.1
210.12233	0.2
211.07703	0.3
212.08333	0.3
215.10770	0.4
222.06702	0.1
225.05653	0.1
227.10780	0.2
227.12859	1.3
235.08215	0.2
238.06107	0.1
239.07089	0.2
240.07896	1.2
243.10130	0.3
253.09206	0.5
254.09575	0.1
255.10257	2.5
256.07523	0.1
256.10654	0.1
266.05804	0.2
267.06662	0.1
271.09753	0.5
276.11746	0.1
283.06427	0.1
284.03513	0.2
284.06866	3.1
285.07031	0.1
299.09229	100.0
300.09564	4.1
445.20804	0.5
502.97736	0.0
515.17175	0.0
637.32104	0.2
920.61877	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	1003.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02949	1.4
83.93099	0.1
96.96017	0.3
99.00864	0.2
99.92583	16.6
100.92584	0.4
100.93257	0.1
114.93433	1.0
116.92860	100.0
117.01934	2.5
117.92871	2.5
131.91591	0.1
140.85902	0.1
161.04599	0.1
166.40860	0.1
200.74123	0.1
209.11813	0.1
229.34323	0.1
238.40730	0.1
265.14795	0.3
335.17783	0.1
410.90317	0.1
612.47803	0.1
639.88928	0.1
871.62030	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	1003.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51694	0.1
71.52121	0.1
73.02945	1.5
97.93154	0.2
99.00874	0.2
99.92585	16.6
100.92612	0.5
100.93211	0.1
114.93414	1.0
116.92862	100.0
117.01933	2.2
117.92872	2.7
131.91583	0.1
209.11830	0.2
277.21432	0.1
298.00226	0.1
335.17841	0.1
352.36710	0.1
400.90546	0.1
646.11975	0.1
985.49377	0.1
1028.68054	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	1003.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95943	0.4
71.01383	0.2
83.05038	0.2
89.02436	0.2
93.03472	0.7
101.02465	0.4
103.61870	0.2
108.02181	0.2
113.02509	0.2
116.92861	0.3
117.03492	0.4
121.02968	0.3
124.01676	0.2
125.02480	0.3
130.04247	0.5
131.05042	0.2
132.02197	0.8
145.02946	11.2
146.03229	0.3
148.01614	0.3
149.99527	0.1
151.00342	0.6
161.02403	0.8
162.03149	0.3
167.04967	0.2
169.01402	0.3
169.06558	0.4
170.07335	0.6
171.10254	0.4
173.05983	0.2
176.01115	0.6
180.05853	0.2
181.06577	1.2
182.07307	0.8
184.05371	0.2
185.06039	0.2
189.01782	0.4
193.06636	0.4
194.07370	0.5
195.04419	0.3
197.06017	1.8
198.06873	2.7
199.03967	0.2
200.04785	0.2
201.05501	0.4
208.05357	0.6
209.06067	7.6
209.11810	7.6
210.06847	16.2
211.03954	0.7
211.07265	0.7
212.04680	0.4
213.05602	0.2
213.09221	1.4
221.06036	1.3
223.03999	1.0
225.05534	1.5
225.09090	0.9
226.06346	4.4
227.12891	1.7
229.14540	0.2
235.08105	0.2
236.04694	0.8
237.05550	6.7
238.06331	19.3
239.03528	0.8
239.06612	0.7
241.08685	1.1
243.10349	0.2
251.07059	0.2
252.07785	0.4
253.05089	0.9
253.08684	15.3
254.05798	2.0
254.08936	0.6
255.06645	0.3
263.03265	0.2
264.04239	1.1
265.04907	0.2
265.08380	0.3
269.08163	3.2
270.08389	0.2
279.06586	0.5
281.04446	1.0
282.05313	5.0
297.07648	100.0
298.07983	4.8
327.21750	2.1
397.13367	0.5
415.14532	0.4
445.20663	0.4
607.25757	0.4
707.34955	0.5
725.36554	0.3
869.94110	0.2
917.47430	0.5
935.47656	0.2
1003.48773	1.2
1004.49280	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	991.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17020	3.6
87.86424	0.4
139.57205	0.4
377.07990	0.3
397.13040	0.9
398.13663	0.4
399.15155	0.5
400.15295	0.6
409.12689	0.6
410.13687	1.3
411.14517	2.7
412.15268	2.4
413.16333	2.0
423.15021	0.4
424.10733	0.7
424.15497	1.2
425.11649	0.5
425.16293	7.1
426.16916	4.9
427.17502	1.4
428.18625	2.0
437.16550	0.4
438.13116	1.4
438.17783	0.6
439.13519	9.2
439.18988	0.7
440.19104	4.1
441.19354	22.7
442.19571	1.0
452.14392	2.1
453.15274	10.0
454.16034	3.1
455.16443	0.5
456.17828	0.8
463.14035	0.9
465.15216	0.4
467.17285	18.8
468.17911	10.0
469.18753	9.7
470.19266	0.5
472.17535	0.4
480.17700	0.7
481.14960	11.4
482.15894	2.0
483.16577	0.4
484.20963	1.4
485.18073	0.7
485.22974	0.5
495.16483	7.5
496.17111	17.3
497.17865	2.5
498.18866	0.6
500.20584	2.6
508.20154	0.6
509.18472	1.0
512.21350	3.2
513.21875	3.9
514.22357	0.5
522.17755	0.4
523.19775	1.2
525.16693	0.5
527.19464	0.5
528.19696	0.4
536.19586	0.6
537.19952	0.8
541.20911	24.6
542.21106	1.1
554.17847	0.8
568.19391	0.5
569.20367	85.9
570.20642	5.0
572.19348	0.9
573.23584	1.1
597.19855	24.5
600.22034	0.9
601.22968	5.3
615.21143	0.6
628.21698	10.4
629.22369	100.0
630.22650	3.2
749.03876	0.5
991.56403	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6052
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.6
69.06726	0.8
69.07076	10.0
69.37202	1.2
69.37613	2.5
71.05000	1.4
71.08598	0.5
73.02914	2.0
77.03934	0.7
79.05495	28.4
81.03432	1.7
81.07058	28.6
83.04975	1.5
83.08622	6.1
85.02908	7.0
85.06521	0.8
87.04460	0.6
89.06010	0.5
91.03951	4.2
91.05482	30.9
93.07046	32.0
95.04993	3.2
95.08608	26.7
97.02898	4.2
97.06539	3.3
97.10167	2.6
99.08128	0.7
103.05466	1.7
105.04529	0.9
105.07034	29.4
107.04977	1.5
107.08598	17.1
109.06522	2.0
109.10156	10.4
111.08102	1.3
115.05460	2.2
116.06263	0.8
117.07025	15.7
119.08584	23.1
121.06510	0.8
121.10149	13.6
121.28790	0.4
123.08068	1.3
123.11722	3.7
125.09637	1.5
127.03905	2.3
128.06197	3.2
129.05537	0.7
129.07010	11.7
129.07925	1.0
130.07785	1.5
131.07597	1.2
131.08571	19.6
133.10130	18.0
135.08075	1.6
135.11703	6.4
137.09650	0.7
137.13295	1.2
139.07532	0.7
141.06985	4.2
142.07799	2.9
143.08568	12.2
144.09370	1.1
145.04984	1.7
145.06491	0.7
145.10129	19.8
147.08067	0.6
147.11693	12.2
149.09671	1.4
149.13272	3.8
151.11218	0.9
153.07030	1.0
154.07825	1.0
155.08553	7.7
156.09335	1.3
157.10136	11.7
157.11333	0.9
158.10867	0.9
159.08052	0.9
159.11694	13.3
161.09668	0.8
161.13258	5.5
163.06067	2.8
163.14854	1.5
165.07025	0.9
166.07829	0.6
167.08601	3.9
168.09363	1.3
169.10112	9.6
169.52754	0.5
171.11678	13.2
173.09621	0.6
173.13264	8.4
175.11259	0.9
175.14844	3.1
177.12793	0.7
179.08549	1.0
180.09468	0.5
181.10109	5.5
182.10910	1.2
183.11694	11.9
183.13232	0.7
185.09622	0.6
185.13248	8.1
187.11205	0.6
187.14827	4.9
189.16417	1.7
191.14435	0.6
193.10162	1.6
194.11026	0.5
195.11714	5.7
196.12503	0.8
197.09659	0.6
197.13242	7.6
197.14793	0.7
198.14183	0.5
199.14856	5.7
201.12764	0.7
201.16501	1.8
203.18112	1.1
205.10286	0.6
207.11630	2.4
209.09727	0.6
209.13249	4.7
211.14851	5.6
213.16428	3.6
215.18034	1.3
221.13309	2.0
223.14857	3.9
225.16373	3.6
227.18002	1.9
229.19473	1.0
231.21083	0.7
233.13382	0.6
235.14870	1.7
237.16440	2.3
239.17979	2.9
241.19626	2.1
242.20381	0.6
244.58115	0.5
247.15047	0.6
247.20578	0.8
249.16417	1.1
251.18042	1.6
253.19679	1.3
255.17351	0.8
257.19031	4.0
259.20599	4.1
261.22241	1.1
263.18060	1.2
265.19577	1.0
267.21332	0.8
269.18893	0.8
275.20230	0.7
280.21405	0.5
283.20599	1.2
285.22311	0.7
293.19012	0.6
295.20120	0.5
297.22128	1.2
301.21802	0.7
307.23871	0.6
309.22205	1.4
311.20291	0.8
311.23602	0.8
313.21774	0.6
313.25073	0.6
315.23065	0.8
321.22144	0.6
323.23660	1.2
325.21494	0.7
325.25446	1.4
327.23044	0.9
333.24380	3.6
335.26178	2.5
337.25204	1.4
339.23285	0.7
341.24734	0.6
345.24524	0.7
349.25153	0.9
351.26843	1.7
363.26926	0.8
365.28622	1.2
367.26404	0.6
379.30194	0.7
381.27798	1.0
391.30688	0.6
393.27502	0.8
393.31915	0.7
395.29300	0.6
407.29248	0.8
419.28741	0.7
421.30832	0.9
423.32736	0.8
429.31845	0.8
433.30753	0.9
435.32080	1.4
447.32486	1.9
461.33868	0.6
469.33612	0.8
473.33328	1.0
475.35880	0.7
477.33679	0.6
483.34985	0.8
487.34207	1.1
499.33200	0.7
499.39514	1.7
501.35641	2.2
507.34335	0.6
513.35925	1.3
515.37555	1.4
517.40540	9.4
521.36517	1.2
525.36121	1.0
527.37537	1.2
535.41669	3.4
539.37360	3.1
540.37579	0.6
541.39423	0.6
553.39008	0.6
567.40430	0.9
573.43011	1.2
591.44043	9.0
607.42889	1.2
609.45142	100.0
610.45612	3.5
621.45160	1.3
627.45947	0.7
633.45331	0.7
645.44598	0.8
651.46436	1.0
675.46393	0.8
681.45526	0.7
693.46814	1.4
699.46033	1.4
717.46790	1.4
735.48431	2.6
753.49396	2.4
771.50385	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	986.6051
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	7.0
69.07072	27.5
70.71560	1.8
71.04997	4.9
73.02926	2.9
77.03915	1.1
79.05499	62.7
81.03418	11.0
81.07059	76.6
82.07369	0.7
83.04980	7.4
83.08149	1.0
83.08620	13.0
83.59930	0.5
83.74761	0.6
83.89227	0.6
85.02422	1.0
85.02906	10.9
85.06571	3.2
91.03961	5.2
91.05485	51.3
93.07048	70.0
95.04977	10.6
95.08611	53.4
97.02880	8.4
97.06532	11.9
97.10169	12.8
99.04453	2.8
99.08097	2.5
103.05450	1.5
105.04523	2.4
105.07037	41.4
107.04958	7.8
107.08601	50.7
109.02876	2.4
109.06516	5.0
109.10164	22.7
109.10931	0.8
111.04437	1.3
111.08093	4.2
111.11761	0.9
113.09673	1.4
115.05459	2.1
117.06218	1.2
117.07020	16.9
119.08588	32.7
121.06506	3.4
121.10150	29.4
123.04424	0.8
123.08067	3.0
123.11702	6.3
125.09641	11.1
127.03918	4.0
128.06198	1.7
129.05499	1.1
129.07021	6.2
130.07776	1.1
131.08572	24.1
133.06509	2.0
133.10136	26.1
135.08054	4.1
135.11700	17.6
137.09615	3.3
137.13242	2.2
139.11154	1.4
141.07013	2.5
142.07800	1.1
143.08580	6.1
145.04958	3.0
145.06516	0.8
145.10132	18.8
147.07971	1.4
147.11697	15.9
149.09634	13.6
149.13260	9.3
151.11143	1.9
153.09143	1.5
153.12785	0.9
155.08560	2.6
157.10143	4.9
159.08072	0.9
159.11705	16.8
161.09621	2.0
161.13266	7.8
163.06036	1.4
163.11198	7.3
163.14833	2.7
165.09073	1.0
165.12773	1.5
168.09250	0.8
169.10185	3.2
171.10254	1.4
171.11713	5.2
173.04448	1.7
173.09612	0.9
173.11732	2.0
173.13277	9.2
175.11234	1.8
175.14835	2.7
177.12753	3.3
177.16336	1.0
179.14343	1.8
181.12216	1.0
183.11720	3.2
185.13202	2.9
187.11174	1.7
187.14890	3.7
189.11246	6.3
189.12755	1.0
189.16310	0.9
191.14308	1.4
193.10387	0.6
193.12212	1.1
195.11792	1.0
195.13789	2.0
197.13310	3.1
199.14836	2.6
201.12798	1.1
201.16406	1.4
205.12276	1.1
209.13332	0.7
211.14931	1.0
213.16490	1.0
215.17999	1.2
217.15828	0.8
219.17357	0.7
223.14873	0.7
227.10544	1.1
227.12778	18.8
229.14320	8.1
229.19534	2.4
237.16388	0.7
239.17992	2.8
241.10580	1.0
241.19664	0.9
243.15959	0.7
243.21132	4.0
247.20607	1.9
252.47136	0.6
253.17961	0.9
255.15860	4.2
257.19037	9.9
259.11636	0.7
259.20502	3.6
261.22156	12.6
267.15967	2.2
269.17450	12.8
273.18613	1.0
275.20065	38.7
277.21664	1.6
293.21014	2.9
297.22125	0.8
299.23651	0.7
309.20728	1.8
315.23026	0.6
317.24756	2.8
331.22736	3.4
333.24252	4.3
335.25812	100.0
336.26013	1.7
349.23752	52.0
350.24136	0.9
351.25497	3.3
367.25021	3.3
367.29379	0.9
389.18030	1.6
393.26889	0.7
395.20612	0.7
413.21619	2.1
419.24332	0.9
419.33115	0.9
431.31528	2.0
437.34305	1.4
471.34845	1.1
487.34045	1.7
489.35910	5.8
505.35306	3.2
507.36816	0.8
511.29251	1.1
513.39264	1.7
515.37372	12.8
516.13416	0.7
517.40625	1.0
529.38910	50.6
530.38989	1.1
535.41541	1.1
543.40063	1.0
545.38464	1.0
547.39417	1.1
553.43005	1.2
555.40723	1.1
569.42194	6.0
591.43866	1.9
609.45123	79.1
610.45459	1.6
627.46228	18.8
633.39758	0.7
651.46143	0.7
673.43011	3.1
691.43524	0.8
707.22662	0.7
753.48480	1.8
771.50922	2.9
986.56207	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	984.5895
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03406	1.1
69.07067	20.3
69.86459	5.8
71.04992	3.1
79.05497	28.9
81.03423	6.5
81.07059	40.7
83.04979	4.4
83.08610	5.3
85.02911	1.4
86.85683	1.1
89.09797	1.1
91.05484	44.4
93.07044	34.7
95.01344	5.4
95.04977	5.8
95.08607	24.7
97.06535	12.7
97.10155	2.9
99.08074	1.6
103.05494	2.0
105.07038	64.2
107.04966	9.0
107.08597	16.5
109.06517	3.4
109.10136	6.7
111.08052	2.2
117.07018	15.6
119.08584	38.8
121.06532	2.1
121.10143	9.2
123.08069	2.4
123.11756	1.6
126.84914	1.3
128.06203	1.4
129.06995	6.6
130.07768	1.4
131.08582	23.7
133.10143	42.7
135.08099	2.0
135.11693	9.1
137.09634	2.0
139.03873	1.1
141.07014	2.7
143.08560	5.0
145.06488	2.0
145.10136	18.3
147.08009	1.7
147.11703	19.8
149.09604	5.6
149.13260	6.5
155.08542	2.6
157.10104	5.4
159.11700	13.2
161.13261	14.9
163.11166	2.6
163.14861	1.6
169.10132	2.1
169.81499	1.1
171.11647	6.7
173.13258	4.9
175.14778	6.6
177.12738	3.7
179.14275	6.8
183.11734	3.4
185.13283	3.6
187.11160	2.8
187.14873	1.7
193.12338	1.2
197.13316	1.8
199.14870	1.5
213.16342	2.0
215.17981	1.2
229.19576	1.3
231.17404	1.2
231.21057	1.8
234.36584	1.2
241.19501	13.5
247.20691	2.4
257.19022	4.2
259.20615	20.0
275.20099	39.4
293.21063	2.8
315.23282	5.6
331.22418	1.7
333.24274	38.6
335.25800	2.0
349.23755	38.5
392.45947	1.5
513.35352	1.5
607.43597	100.0
608.43762	2.6
625.44604	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	984.588
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	7.8
69.07071	18.9
69.07415	0.9
71.04940	2.1
73.02886	1.2
77.03893	0.8
79.05492	32.3
81.03418	7.7
81.07060	34.7
83.04978	5.0
83.08618	8.6
85.02898	4.8
85.06500	1.0
90.79997	0.7
91.03915	2.9
91.05486	21.8
93.07047	32.2
95.04979	8.7
95.08604	23.2
97.02895	9.5
97.06526	3.7
97.10172	11.9
99.08057	1.5
105.04536	0.9
105.07028	16.0
107.04960	4.7
107.07894	1.0
107.08590	19.2
109.02805	1.1
109.06491	3.3
109.09483	1.0
109.10155	14.4
111.04382	1.2
111.08059	2.2
113.97705	0.7
115.05369	0.7
117.07027	7.4
117.07808	1.1
119.08585	13.1
121.06450	2.4
121.10145	12.0
123.08029	3.2
123.11677	3.1
125.09624	7.4
127.03894	1.6
128.06248	0.8
129.06982	3.1
130.07770	1.2
131.07750	0.8
131.08580	10.0
133.06467	2.6
133.10123	7.8
135.08006	3.1
135.10881	0.6
135.11707	7.9
137.09576	3.2
143.08499	3.0
145.06439	0.9
145.09232	0.9
145.10132	8.6
147.08054	6.2
147.11687	5.9
149.09537	1.4
149.13246	3.4
151.11156	0.8
153.12653	1.2
157.10101	2.3
159.07950	0.7
159.11713	4.5
161.09586	3.0
161.13216	2.6
162.10323	0.8
163.11177	2.0
163.14807	1.3
165.09149	0.9
169.12268	1.3
171.11670	1.8
173.11880	0.7
173.13239	2.9
175.11185	2.0
175.14812	1.4
177.12708	1.2
177.16299	0.8
179.51006	0.8
185.13211	0.8
187.14784	1.5
189.11263	3.6
189.12675	1.0
193.12234	3.1
195.11916	0.8
195.13779	1.0
201.16315	1.4
205.12202	2.1
211.13234	2.2
223.13290	16.6
227.12752	5.0
227.17851	1.1
243.21025	2.8
245.19072	1.4
249.14864	2.0
255.17497	1.4
261.22159	7.4
263.16415	0.8
263.20026	1.0
267.15817	3.9
273.18503	14.1
285.16953	1.0
291.19550	97.8
292.19998	1.0
309.20358	1.0
313.27307	0.8
317.24759	2.7
330.75070	0.9
335.25809	70.8
336.26154	1.3
347.22119	1.8
365.23245	74.6
429.21265	1.2
459.27328	3.1
477.28513	2.8
513.35327	0.9
527.37250	1.9
545.38385	5.9
551.40918	1.0
607.43060	4.1
625.44635	100.0
626.44507	1.9
643.45490	1.3
787.49298	1.4
984.56128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5894
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	5.4
69.07069	17.8
71.04556	0.9
71.04962	1.8
73.02877	1.1
77.03862	0.5
79.05495	27.9
81.03423	5.0
81.07057	33.6
83.04987	3.2
83.08622	7.5
84.09154	0.5
85.02914	3.8
85.06494	1.4
86.60562	0.5
91.03953	1.0
91.05479	19.5
93.07044	27.6
95.01271	0.4
95.04967	5.6
95.08608	22.5
97.02899	7.6
97.06483	2.2
97.10168	8.0
103.05444	0.7
105.04478	1.1
105.07030	15.3
107.04948	3.9
107.07906	1.0
107.08598	16.5
109.02809	0.7
109.06505	2.9
109.10152	12.0
111.08093	2.4
115.05367	0.6
116.06224	0.5
117.07022	6.8
119.04935	1.3
119.08589	12.2
121.06461	2.1
121.09331	0.7
121.10145	11.4
123.08089	3.1
123.11655	2.2
125.09624	5.3
127.03906	1.0
128.06198	0.6
129.06996	2.8
130.07820	0.7
131.08562	8.3
133.06445	2.2
133.10143	6.9
134.07195	1.1
135.08012	2.0
135.11696	5.5
137.09596	1.7
137.13214	0.5
141.06966	0.8
143.08585	2.3
145.04968	0.7
145.10120	5.5
147.08032	4.3
147.11691	4.5
149.05833	0.6
149.09612	1.6
149.13261	4.1
153.09119	0.6
157.10147	2.9
159.08035	0.6
159.11702	4.4
161.09599	2.2
161.13315	2.5
162.21742	0.5
163.11209	1.1
163.14743	1.5
165.09059	1.1
169.10127	0.7
171.10255	0.6
171.11624	1.9
173.13255	2.4
175.11130	1.8
175.14743	0.7
177.12706	0.6
177.96799	0.4
179.10719	0.5
185.13206	0.8
186.48737	0.5
187.14763	0.9
189.11224	2.4
189.12665	0.6
193.12236	1.7
195.13818	1.0
205.12201	1.4
211.13264	1.1
223.13293	13.9
227.12791	3.0
233.15279	0.8
243.21147	2.1
245.13791	0.7
245.19017	0.9
249.14824	2.3
255.17458	0.7
261.22116	7.8
263.19882	0.7
267.15912	1.7
273.18533	8.2
275.20020	0.9
285.16962	0.7
291.19550	65.7
292.19791	1.1
317.24875	3.0
335.25800	64.1
336.26096	1.5
347.22141	1.7
365.23233	41.5
366.23557	0.6
429.20587	0.6
459.27429	0.9
477.28720	1.3
527.37262	1.6
543.36389	0.5
545.38397	5.6
607.43793	3.8
625.44629	100.0
626.44922	1.9
643.45703	1.7
689.43079	0.8
722.89465	0.5
787.48523	0.7
984.56427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6103
Annotation	Unknow
Peak:m/z	Relative Intensity
68.20559	1.7
69.03406	4.8
69.07073	16.0
70.57675	6.1
71.05009	4.0
73.02907	3.7
78.17683	1.8
79.05495	74.1
81.03420	4.9
81.07059	71.7
83.04994	3.9
83.08632	12.1
85.02908	18.0
85.06556	3.8
91.03971	12.6
91.05482	69.0
93.07047	87.0
95.04976	7.2
95.08615	71.0
97.02888	10.1
97.06537	4.7
97.10148	5.1
99.08094	3.6
103.05485	3.5
105.07036	69.8
107.08597	42.1
109.06507	4.1
109.10178	23.7
111.08044	3.4
111.79730	1.8
115.05497	3.2
117.07012	27.8
119.08589	57.8
121.06504	2.3
121.10146	37.7
123.08037	2.4
123.11720	8.9
125.09702	2.1
127.03935	5.2
129.06985	13.4
131.08582	29.9
133.10135	44.1
135.08049	2.9
135.11699	24.3
142.07759	2.4
143.08595	10.5
145.04942	5.7
145.10121	32.0
147.11690	37.3
149.13316	15.7
150.43607	1.9
157.10172	14.1
157.11267	2.1
159.11710	23.3
161.09636	2.3
161.13257	26.6
163.06052	8.3
163.14827	6.8
169.10184	5.7
171.11690	13.8
173.13284	17.4
175.14774	9.1
183.11699	4.3
185.13235	10.7
187.14789	5.2
189.16333	3.5
195.11713	2.1
197.13309	3.5
199.14813	6.5
200.57550	1.8
211.14682	3.2
213.16360	4.5
215.18170	2.0
222.94890	2.1
231.21129	5.5
241.19534	22.1
243.21056	4.5
257.19019	8.1
259.20587	50.6
261.22079	10.2
273.22192	2.1
299.23517	2.4
315.23099	4.7
331.22672	4.2
333.24246	50.2
335.25821	84.1
337.27344	3.8
341.30331	2.6
351.25443	2.1
353.28412	2.1
449.33963	2.7
480.30994	2.3
519.41699	5.4
537.42975	3.8
541.39056	2.2
593.45813	15.6
611.46716	100.0
701.47491	5.6
719.47992	3.7
737.49463	4.8
755.50861	3.5
883.04944	2.2
970.57013	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	969.5759
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	2.0
69.03434	2.3
69.07073	0.9
70.01453	0.7
71.01344	0.3
71.05000	0.4
71.08640	0.8
73.02919	2.6
75.04457	0.2
79.05503	1.4
79.28920	0.1
81.03420	1.6
81.07059	2.2
82.92673	0.2
83.04988	0.4
83.08620	0.7
85.02911	4.1
85.10195	0.7
87.04475	0.3
91.03958	2.3
91.05493	1.1
93.07045	1.3
93.64618	0.2
95.04980	0.4
95.08611	1.7
97.02891	3.8
97.06538	0.2
97.10181	0.3
99.04465	0.6
101.02378	1.3
103.03948	0.5
105.07047	0.9
107.08616	0.8
108.31453	0.1
109.02894	0.6
109.06549	0.3
109.10175	0.6
115.03934	0.2
117.07026	0.4
119.08615	0.6
121.06535	0.2
121.10178	0.4
123.11701	0.3
127.03954	1.1
129.07005	0.2
131.08603	0.5
133.10161	0.5
135.11752	0.3
145.04938	0.2
147.11729	0.4
149.13336	0.3
157.10136	0.2
159.11705	0.3
177.12720	0.1
185.02831	0.2
185.04124	0.7
195.13947	0.2
203.05266	0.5
235.33748	0.2
243.08389	1.6
275.20157	0.2
281.68323	0.2
298.27682	0.2
313.27484	0.6
319.48685	0.2
333.20386	1.2
335.25620	0.3
347.09482	2.2
363.09329	0.4
365.10742	0.7
389.22989	0.4
405.13721	5.2
439.19348	1.2
453.21078	1.9
469.20697	0.3
497.23721	0.3
497.30826	5.0
497.37683	0.3
549.11554	0.2
551.28339	4.3
562.07605	0.2
601.25073	0.7
609.45398	0.2
610.45898	0.4
615.26318	1.0
659.36212	4.8
660.36102	0.2
695.43481	0.2
709.45105	0.4
713.33447	4.5
787.31561	0.2
807.52429	1.3
871.50256	0.8
969.57587	100.0
970.57813	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	968.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	48.5
69.03438	7.5
69.07073	21.5
71.01366	1.1
71.04991	6.4
71.09007	0.8
73.02917	1.5
73.19984	0.8
77.03934	1.2
79.05492	47.8
81.03418	72.8
81.07056	57.1
82.07375	0.8
83.04979	12.2
83.08617	25.8
85.02905	7.9
85.06568	4.1
87.04480	1.1
90.21255	0.8
91.03962	3.3
91.04900	1.5
91.05481	44.6
93.07045	47.2
95.01382	0.9
95.04970	33.6
95.08606	26.4
97.02878	7.1
97.06531	13.9
97.10168	15.3
99.04448	1.5
99.08094	2.2
102.07261	0.9
102.69222	1.1
103.05498	1.3
105.04550	0.9
105.07032	36.8
107.04964	14.8
107.08595	33.6
109.02865	3.1
109.06514	8.8
109.10149	15.9
111.04474	1.8
111.08066	7.7
113.09643	1.3
115.05481	2.9
117.07036	14.6
119.04969	1.8
119.08578	30.1
121.06499	9.1
121.10139	16.6
123.04461	2.0
123.08060	7.7
123.11710	4.1
125.06010	1.2
125.09628	11.8
127.03915	2.8
127.07597	1.2
127.47965	0.9
128.06186	2.0
129.05525	1.2
129.07005	15.6
130.07788	1.4
131.04912	1.9
131.08568	25.6
133.06511	5.9
133.10133	21.1
135.08066	6.2
135.11676	13.7
137.05988	1.1
137.09636	5.4
139.04022	0.9
139.11198	2.2
141.07021	3.0
142.07777	4.4
143.08566	8.2
145.04936	1.4
145.06496	5.3
145.10129	15.6
147.04393	1.1
147.08038	6.5
147.11697	17.5
149.09628	15.2
149.13260	8.0
151.11214	2.6
153.09117	2.6
155.08568	3.5
156.09326	1.3
157.06537	1.2
157.10114	14.4
159.08087	3.6
159.11700	10.7
161.05957	0.9
161.09644	3.2
161.13264	4.1
163.11174	7.8
165.06993	1.2
165.12749	3.4
167.08565	1.5
167.44846	0.9
169.10075	5.6
171.08112	1.1
171.10269	1.5
171.11708	4.0
173.04446	2.6
173.05898	0.8
173.09647	3.6
173.11783	2.1
173.13269	5.0
175.11186	9.6
177.12790	4.6
179.14375	2.0
181.10138	1.8
181.12274	2.3
182.22647	0.8
183.11674	4.4
185.09630	2.3
185.13324	3.1
187.11208	2.6
187.14774	1.4
189.11230	5.8
189.12802	2.5
193.12247	23.6
195.11868	1.8
195.13869	2.4
197.13295	2.6
199.11186	1.6
199.14862	1.9
201.12798	2.1
203.10831	1.2
203.14281	1.2
205.12251	2.7
207.11856	0.9
209.13214	1.2
211.11490	0.9
211.13139	4.3
213.12764	1.8
214.65282	0.8
215.14273	1.2
217.12216	1.1
217.15872	2.9
219.13808	1.0
221.13274	1.1
223.13188	1.8
227.12747	12.5
227.14606	1.2
229.14316	4.6
229.19556	1.1
233.15369	1.2
235.13235	1.7
239.17880	1.0
245.13806	1.8
247.20592	1.7
249.14833	4.2
255.15840	11.4
257.15433	1.2
257.19012	5.5
259.13141	1.1
259.20822	1.2
267.15912	75.9
269.17477	21.2
273.14902	2.7
273.18515	2.3
275.16953	1.7
275.20062	19.7
285.17007	1.5
291.19727	2.5
293.21115	1.7
297.22067	1.8
299.20032	3.1
301.14352	3.0
309.16943	2.3
315.23108	1.6
317.21082	1.8
319.15433	1.5
333.17078	1.1
337.16278	1.3
337.21701	1.4
341.24872	1.5
343.22559	1.1
349.23782	24.6
351.23065	1.8
355.22913	1.2
367.24960	4.6
369.24274	3.0
373.23770	1.5
387.25275	2.1
393.19144	1.1
403.24887	1.4
419.24036	2.0
421.25983	7.2
431.29752	1.9
435.27487	2.9
437.25079	2.3
443.27914	7.5
447.27466	36.5
449.30777	4.6
459.27261	4.9
460.27945	1.9
461.28992	100.0
462.29080	1.8
465.28271	1.1
467.31610	3.7
473.28851	1.1
475.30753	2.0
477.28372	3.7
479.29880	2.5
485.33173	1.3
493.31781	12.8
501.32068	3.2
503.29993	3.7
511.33197	1.2
513.36072	1.7
523.34137	4.6
527.29584	1.3
531.36267	1.1
541.35266	82.6
542.35223	1.6
551.30347	0.9
557.30890	2.2
559.36334	41.5
569.30762	3.4
573.37488	2.5
583.36383	3.6
587.32135	4.5
591.39709	4.1
605.33160	3.0
649.36633	2.3
667.37921	4.0
685.39514	2.8
703.40497	2.4
891.38409	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6205
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	37.0
68.55302	0.5
69.03435	6.5
69.07070	19.9
71.01334	0.9
71.04993	3.3
71.08632	22.7
73.02914	3.8
79.05496	27.3
81.03419	9.1
81.07057	51.2
83.04576	0.6
83.04981	7.8
83.08620	16.4
85.02908	11.2
85.06536	3.2
85.10187	13.9
89.06008	1.2
90.34422	0.5
91.03948	3.7
91.05482	24.2
93.07044	32.6
93.87563	0.6
95.04478	0.5
95.04965	6.5
95.08611	33.8
97.02904	7.1
97.06541	9.1
97.10171	9.2
99.04424	1.6
99.08081	2.7
103.03909	0.6
103.05434	0.7
103.07578	0.9
105.04510	0.9
105.07030	19.8
106.66595	0.5
107.04944	5.3
107.08597	22.3
109.02840	2.1
109.06520	3.7
109.10159	16.9
111.04411	1.1
111.08076	2.8
111.11683	0.9
115.05463	0.7
117.06250	0.6
117.07020	10.1
119.07825	0.8
119.08590	13.2
121.06528	3.5
121.09345	0.9
121.10149	11.1
123.04438	0.7
123.08052	2.5
123.11696	5.0
125.09618	3.3
127.03917	4.8
129.05440	2.0
129.06999	2.9
131.08568	12.0
133.06488	1.4
133.10129	12.5
135.08064	3.8
135.11703	10.0
137.09546	1.9
137.13248	1.2
139.11147	1.3
141.06960	0.7
142.07742	0.7
143.08524	2.0
145.04961	2.8
145.09071	0.9
145.10124	10.6
147.08020	1.4
147.11708	6.5
149.09650	7.8
149.13243	8.0
151.11159	1.5
155.08528	1.1
157.10165	3.2
159.08005	0.7
159.11702	9.5
161.09541	1.0
161.13242	3.0
163.05983	2.3
163.07420	0.7
163.11189	5.6
167.14317	0.7
169.10101	1.3
171.10281	0.6
171.11694	1.8
173.04417	2.5
173.09589	1.0
173.11960	0.6
173.13260	2.4
175.11195	0.8
177.12756	3.7
179.14262	1.1
181.12225	1.3
183.11702	1.5
185.13181	1.2
187.11205	1.1
189.11157	1.4
189.12714	0.6
191.14267	0.7
194.24397	0.5
195.13792	3.6
197.13251	1.2
199.14854	1.1
203.50090	0.6
205.12225	0.8
217.15846	2.4
219.13702	0.6
219.17477	0.8
227.12740	4.9
228.26741	0.6
229.14314	1.2
229.19560	1.5
239.17990	2.3
239.23694	3.2
247.20554	1.7
251.16425	1.2
255.15919	13.1
257.19019	7.2
257.24826	2.1
267.15958	2.5
269.17480	36.6
275.20071	26.2
291.19568	1.7
293.17880	0.7
293.21066	3.1
309.20764	1.6
313.27368	100.0
314.27722	1.7
321.17099	0.7
321.24298	1.1
331.22699	2.8
339.18039	0.9
349.23724	29.3
365.20746	0.6
367.24841	5.3
409.33203	1.3
413.21622	3.5
419.23849	0.8
467.37448	2.4
483.36795	1.7
491.41162	0.6
493.28052	0.7
493.38910	21.3
507.40460	93.4
508.40695	3.1
529.42761	0.7
531.40637	0.9
547.43732	5.8
561.41406	0.8
587.46704	41.6
588.47015	2.2
605.47809	15.1
605.57697	1.1
606.48370	0.7
615.42706	0.7
627.41034	1.2
633.43951	1.2
651.44513	2.7
731.50952	1.0
749.52167	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6045
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04813	2.9
67.05188	4.4
67.05507	19.2
69.03421	4.8
69.07066	14.9
71.04982	1.2
71.08627	12.6
71.30788	1.3
71.31116	1.5
73.02891	1.4
79.05494	13.6
81.03439	6.0
81.07056	19.4
83.04998	2.2
83.08629	8.6
85.02898	4.7
85.06521	1.5
85.10191	7.1
91.05470	9.0
93.07044	9.3
95.04971	10.3
95.08610	14.8
96.08994	1.2
97.02894	4.5
97.06531	1.3
97.10165	8.7
100.09716	1.2
105.07016	8.3
107.04955	4.4
107.08596	7.8
109.06528	3.0
109.10162	8.9
111.08150	1.3
112.53190	1.2
117.07022	5.4
117.87344	1.3
119.08595	7.0
121.06490	3.6
121.10156	2.8
123.08051	2.4
123.11732	2.3
125.09642	6.0
129.06966	2.5
131.08574	5.1
133.06500	2.1
133.10139	4.8
135.08102	3.2
137.05948	1.5
143.08560	1.7
145.04988	1.7
145.10117	3.4
147.08038	2.6
147.11761	1.6
149.51749	1.3
151.11177	2.3
157.10222	2.0
159.11702	1.4
161.09665	1.9
163.11150	1.5
175.11243	1.9
189.11253	1.9
223.13293	9.2
227.12773	4.0
227.17969	1.6
239.23956	1.6
240.83864	1.3
249.14844	1.6
253.14456	2.9
256.33087	1.3
257.24774	1.8
267.16031	2.4
273.18430	12.4
291.19559	55.7
313.27380	63.3
328.32541	1.3
347.22101	3.6
365.23218	45.3
459.27231	3.5
477.28513	3.4
523.39832	3.4
585.45380	7.1
603.46191	100.0
604.46521	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	964.6205
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	38.7
69.03430	6.6
69.07068	19.6
70.55925	0.4
70.56264	1.3
70.60228	0.4
71.01353	0.5
71.04992	2.7
71.08234	0.7
71.08632	21.4
73.02921	2.1
79.05493	24.6
81.03419	8.2
81.07058	53.5
83.04985	7.2
83.08621	16.3
85.02908	10.2
85.06540	3.2
85.09657	0.7
85.10182	13.3
87.04488	0.5
89.06034	1.4
91.03953	4.4
91.05480	21.0
93.07044	29.8
95.04974	6.0
95.08608	32.8
97.02888	6.1
97.06531	7.0
97.10168	7.4
99.04474	1.6
99.08105	2.1
99.11760	0.5
101.06033	0.4
103.05441	0.7
103.07590	1.1
105.04520	1.2
105.07030	17.2
107.04955	4.6
107.08596	20.5
109.02879	1.9
109.06519	3.9
109.10158	12.9
109.34898	0.4
111.04450	1.0
111.08067	2.7
111.11693	1.0
113.09647	0.9
115.05450	1.0
117.07016	9.9
119.08582	12.8
121.06528	3.1
121.10149	9.5
123.08065	2.3
123.11712	5.9
125.09643	2.7
127.03922	3.7
128.06244	0.8
129.05518	1.7
129.06976	2.9
130.07803	0.7
131.04842	0.5
131.08574	10.1
133.06512	1.0
133.10133	12.9
134.10497	0.5
135.08046	2.0
135.11693	10.0
137.09607	1.9
137.13266	1.7
139.11151	0.5
141.07010	1.0
142.07761	0.5
143.08582	1.4
145.04956	2.3
145.10133	8.1
147.08119	1.2
147.11693	6.1
149.09628	6.5
149.13269	9.0
151.11211	1.7
153.12770	0.5
155.08575	1.2
157.10106	2.5
159.08072	0.6
159.11697	9.6
161.09657	0.5
161.13249	2.2
163.06026	1.9
163.11183	4.6
163.14894	0.4
165.09171	0.5
165.12764	1.2
169.10139	1.5
171.11719	1.5
173.04509	2.3
173.09633	0.7
173.13249	3.1
174.20360	0.5
175.11089	0.8
177.12769	3.8
179.14343	1.2
181.12254	1.2
183.11674	1.1
185.13307	0.7
187.11214	0.8
187.14880	0.7
188.98683	0.5
189.11214	0.6
189.12755	0.7
195.12103	0.7
195.13800	4.0
197.13271	1.0
201.12764	0.5
201.16461	0.6
207.13875	0.5
213.14842	0.8
217.16016	0.7
219.13802	0.5
227.12770	3.2
229.19685	0.9
239.17972	1.7
239.23570	3.0
246.74687	0.5
247.20674	1.6
251.16431	0.8
253.14404	1.0
253.84607	0.5
255.15930	12.7
257.19058	4.7
257.24710	2.2
267.16013	1.5
269.17477	43.2
275.20068	18.3
291.19626	0.9
293.17450	1.1
293.21179	2.0
309.20471	0.5
313.27362	82.9
314.27756	1.6
321.17047	0.6
321.24323	0.7
331.22797	1.7
335.18784	0.7
339.18030	1.4
349.23737	21.4
367.24869	4.6
395.20480	0.5
413.21686	4.1
419.24628	0.6
467.37408	1.3
491.40964	0.7
493.28024	0.7
493.38867	19.7
507.40466	100.0
508.40671	2.4
511.29163	0.9
523.39490	0.4
547.43372	1.9
561.41486	0.7
569.44965	0.8
587.46692	35.1
588.47150	0.5
605.47766	14.4
606.47943	0.5
627.41077	0.9
651.44727	3.6
731.50928	0.8
749.51941	2.3
843.81763	0.4
908.15045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6156
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	60.7
69.03418	3.0
69.07070	15.6
69.67758	1.3
69.68170	2.3
71.04980	2.0
71.08594	0.8
73.02924	3.9
77.03925	1.2
79.05497	42.2
81.03407	1.8
81.07060	62.5
81.68580	0.7
83.04977	2.3
83.08623	8.4
84.86250	0.7
85.02906	15.1
85.06574	1.6
91.03962	11.4
91.05483	33.7
93.07048	50.5
95.04956	3.8
95.08612	50.4
97.02893	9.6
97.06556	3.9
97.10197	3.9
99.04494	0.9
99.08079	1.8
103.05476	1.0
105.04495	1.8
105.07036	28.6
107.04944	1.0
107.08602	30.2
109.02919	1.1
109.06499	1.7
109.10162	22.6
111.08047	1.3
115.05444	1.6
117.06220	0.9
117.07021	10.2
119.08587	21.7
121.06539	0.7
121.10153	22.0
123.08087	1.4
123.11710	7.3
125.09601	1.3
127.03918	5.9
128.06177	1.3
129.07008	4.6
131.08580	16.8
133.10143	17.5
135.08011	0.9
135.11699	16.0
137.09581	1.0
137.13281	3.0
139.11136	0.7
143.08571	4.1
145.04959	5.8
145.10132	12.5
147.11691	13.1
149.09627	1.7
149.13264	9.7
151.11208	0.8
151.14827	1.1
155.08534	1.7
157.10139	4.5
159.11691	11.1
161.13261	10.5
163.06015	8.3
163.11212	1.4
163.14876	4.0
169.10133	1.8
171.11729	4.9
173.13278	8.0
175.11261	0.8
175.14825	4.2
177.16371	1.5
179.14337	0.9
180.15891	0.7
181.10121	1.6
183.11716	2.2
185.13235	3.5
187.14821	5.2
189.16331	0.9
191.14360	0.7
193.09976	0.9
195.11678	0.8
197.13266	1.7
199.14812	2.8
201.16385	2.1
209.13367	1.5
213.16505	1.3
215.17848	1.6
217.19464	1.1
221.13152	0.8
225.16382	0.9
231.17455	1.2
231.21049	1.2
233.18996	0.8
233.22620	0.7
239.18013	1.0
241.19612	3.9
243.21141	6.2
257.19067	1.5
259.20593	12.4
261.22159	19.9
263.23721	2.0
273.22061	1.3
275.20129	2.1
277.21609	1.2
287.23456	0.9
299.23709	1.6
315.23380	1.5
317.24832	3.5
332.96124	0.6
333.24359	9.1
335.25809	100.0
337.27423	15.1
432.12125	0.7
517.38953	1.1
521.43335	3.9
529.38708	1.1
539.44415	1.7
591.44165	1.1
595.47308	18.9
607.43597	0.8
613.48279	29.1
720.20697	0.7
789.56952	0.8
803.57452	1.8
809.62909	0.7
865.63538	1.5
883.63037	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	26.7
69.03434	2.7
69.07063	7.4
70.28220	0.8
70.28610	1.0
71.04995	3.8
73.02933	1.3
77.03928	0.9
79.05492	26.8
81.03419	28.0
81.07056	26.4
83.04974	3.7
83.08618	10.6
85.02909	5.2
85.06530	2.3
91.03976	3.0
91.05481	27.6
93.07045	26.7
95.04971	12.1
95.08607	17.4
95.09235	0.6
97.02895	2.6
97.06533	3.0
97.10172	7.3
99.08101	1.4
101.06024	0.6
103.05437	0.7
105.04530	1.0
105.07030	25.0
107.04955	4.4
107.07870	0.9
107.08593	15.6
109.02895	0.7
109.06508	3.5
109.10161	10.2
111.04490	0.6
111.08084	3.2
113.09677	0.7
113.72091	0.4
115.05478	1.4
116.06256	0.8
117.07008	11.4
117.42591	0.4
119.04930	0.7
119.08582	21.2
121.06496	3.1
121.10145	12.8
123.04437	0.5
123.08099	3.5
123.11728	2.8
125.09634	5.7
127.03900	0.6
128.06230	1.9
129.07013	11.4
130.07800	0.9
131.08571	16.3
133.06540	2.0
133.10126	14.5
133.11099	0.9
135.08051	2.7
135.11713	6.9
137.09612	1.3
139.11218	0.8
141.07004	2.0
142.07771	1.8
143.08559	8.1
145.04964	1.3
145.06471	1.3
145.10124	13.9
147.08051	2.1
147.11699	10.5
149.09624	3.6
149.13261	2.7
151.11226	1.2
153.09167	0.8
155.08543	4.7
155.40224	0.5
156.09341	1.3
157.10144	8.4
159.08104	1.4
159.11691	10.3
161.09641	1.8
161.13263	5.3
163.06026	1.7
163.11218	2.4
163.14790	0.5
165.06923	0.5
165.12708	0.9
167.08553	1.6
169.10133	5.7
171.08142	1.1
171.10237	0.8
171.11685	6.9
173.09637	1.3
173.11848	0.5
173.13248	6.0
175.07484	0.7
175.11223	4.0
175.14850	2.3
177.12793	1.1
179.08542	0.9
180.09108	0.5
181.10117	3.5
183.11681	5.8
185.09714	1.2
185.13249	5.8
187.11185	1.0
187.13383	0.5
187.14865	2.3
189.11249	3.1
189.12823	1.2
191.10619	0.6
191.14349	0.6
193.10342	1.0
193.12294	4.1
195.11641	3.2
197.13258	3.9
197.14951	0.7
199.11209	0.9
199.14830	3.6
201.12759	1.0
201.16466	0.8
203.14265	1.0
205.10194	0.6
205.12358	0.5
207.11731	1.4
209.13298	2.9
209.15099	0.5
211.11324	0.5
211.13083	0.6
211.14853	2.0
213.16478	0.7
215.14375	1.1
217.15875	1.3
221.13329	1.0
223.14864	1.3
225.12753	0.5
225.16476	0.7
227.12791	5.7
229.14304	1.0
231.21078	1.0
233.13327	0.7
233.15500	0.9
235.14906	1.0
235.16933	0.9
237.16568	0.6
239.14323	0.8
241.19560	2.7
241.96454	0.5
243.15921	0.8
247.17053	0.7
255.17393	0.5
257.19095	0.7
259.16977	0.6
259.17383	0.6
259.20599	8.0
267.15881	11.0
271.20496	0.6
273.18393	0.7
275.20206	1.2
281.22650	0.7
283.20529	1.8
285.18353	0.5
287.20233	0.6
292.66815	0.4
297.22214	1.1
299.20392	1.0
299.23761	3.4
301.21741	0.6
309.21906	0.7
311.20020	0.7
313.21713	0.8
315.23279	0.7
321.22052	1.0
325.21780	1.4
333.24265	4.8
339.23227	0.7
343.22870	0.5
351.22952	0.5
353.24802	0.5
355.26556	0.6
357.24323	1.1
375.25204	0.6
403.24857	1.0
407.24329	1.8
415.29959	1.2
417.26382	1.4
421.25854	8.0
423.27090	0.7
433.31067	6.3
435.27432	7.5
443.27789	0.9
447.27588	1.0
449.29034	1.3
451.32095	7.5
461.28833	1.1
469.33270	3.4
489.33746	1.3
495.33881	0.7
499.33887	1.0
507.34714	4.5
515.37671	0.9
517.35254	3.2
525.35748	39.8
526.36176	1.0
539.37592	0.9
541.35327	0.5
543.36816	100.0
544.37500	2.3
555.36877	1.3
557.38452	9.9
567.37201	2.5
575.39478	17.5
585.37555	1.1
595.36810	0.5
609.38165	1.0
615.36542	0.5
621.37762	0.7
633.38068	2.6
651.38428	2.7
669.39563	2.8
687.41077	4.3
705.42145	2.9
719.43390	0.7
737.44177	0.7
920.18298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5871
Annotation	Unknow
Peak:m/z	Relative Intensity
66.88280	0.4
67.05518	1.6
68.94657	0.4
69.03446	2.8
69.07089	0.4
71.01377	0.5
71.04983	0.5
71.08661	0.8
71.25693	0.4
71.26039	0.6
73.02927	2.9
79.05503	1.1
81.03439	1.4
81.07076	2.4
84.46294	0.4
85.02917	5.4
85.10213	0.5
91.03960	2.4
91.05507	0.8
93.07076	1.3
95.08646	1.9
97.02907	4.8
97.89321	0.4
99.04488	0.9
101.02432	1.6
105.07092	0.6
109.02900	0.5
109.10189	0.9
115.04005	0.6
119.08603	0.7
127.03972	1.7
133.10123	0.5
142.95810	0.4
185.04347	1.0
243.08560	1.6
313.27466	0.8
347.09665	2.0
363.08887	0.6
365.10818	1.4
391.76413	0.4
405.13672	5.0
497.30893	4.0
519.29340	4.6
521.60358	0.4
659.36237	3.9
681.34619	6.6
775.53314	1.3
937.58704	100.0
938.59326	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	942.5994
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	10.3
67.14568	0.8
69.03417	1.5
69.07080	5.6
71.08633	18.4
71.54282	1.3
73.02922	1.3
73.83700	0.8
79.05487	5.7
81.03416	51.4
81.07049	14.2
83.04986	2.2
83.08623	15.5
85.02888	4.1
85.06536	0.9
85.10178	12.2
89.06036	0.7
91.03947	3.3
91.05483	11.8
93.07027	4.8
95.04971	14.8
95.08607	16.5
97.02908	4.1
97.10162	5.9
105.07027	6.9
107.04957	3.3
107.08595	3.2
109.06500	1.6
109.10165	6.2
111.04440	1.2
111.08086	3.9
111.11710	1.7
115.05434	1.0
117.06986	1.1
119.08588	7.4
121.06535	1.0
121.10103	3.4
123.04445	1.9
123.08080	1.2
123.11699	2.9
127.06917	0.9
129.06987	6.4
131.08549	5.8
133.06461	2.3
133.10127	2.7
137.13179	1.1
142.07755	1.6
145.04953	1.5
145.10107	1.2
147.04401	0.9
147.08081	1.7
147.11678	5.0
149.09615	3.1
157.10117	7.7
163.05981	1.8
163.11154	1.1
165.12750	1.4
175.11166	4.9
193.12250	23.4
221.47722	0.9
221.66768	0.8
235.13300	1.8
244.14737	0.9
249.14996	1.8
256.07843	0.8
259.13306	1.9
267.15918	100.0
268.16245	1.4
273.15009	1.3
285.27908	1.2
301.14362	1.8
308.69589	0.8
309.16965	3.4
326.30426	0.8
331.37283	0.9
341.30502	97.3
445.50705	0.9
455.36230	0.9
464.21021	0.9
533.42035	85.7
534.41602	1.0
551.42908	2.5
575.43323	6.7
617.44263	1.8
629.43921	3.3
641.44104	1.4
659.44922	1.9
664.88220	1.0
677.45721	1.1
708.60529	0.8
932.65149	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	2.6
66.54794	0.6
67.05510	50.1
69.03401	2.9
69.06740	0.8
69.07074	11.5
69.23534	6.3
71.05003	4.1
73.02903	2.0
77.03889	0.9
79.05499	38.5
81.03423	76.4
81.07060	58.0
83.04990	6.3
83.08163	1.3
83.08623	21.8
85.02895	6.8
85.06523	2.3
91.03967	5.1
91.04910	1.2
91.05484	31.6
93.07050	44.6
95.04978	27.8
95.08614	42.3
97.02910	6.3
97.06533	4.8
97.10169	7.5
99.01852	0.7
99.08032	1.0
105.04507	1.0
105.07036	24.3
107.04961	6.7
107.08607	23.6
109.02880	1.0
109.06527	5.0
109.10160	19.6
111.04472	1.3
111.08089	6.4
115.05435	1.6
117.07048	7.6
119.04923	0.9
119.08588	22.9
121.06498	4.6
121.10155	22.6
123.04421	2.1
123.08077	3.6
123.11725	7.8
125.09647	5.9
127.03899	2.5
129.07007	10.2
131.08577	19.5
133.06480	3.0
133.10138	15.3
135.08037	2.7
135.11710	13.9
137.09599	2.4
137.13237	2.3
139.11140	0.9
142.07756	2.6
143.08566	3.0
145.04970	3.1
145.06496	0.9
145.10126	10.5
147.04402	1.2
147.08049	3.3
147.11690	14.5
149.09651	5.5
149.13272	7.0
151.11215	1.0
155.08546	0.8
157.10147	12.9
159.11710	8.6
161.13283	6.5
163.06015	5.7
163.11179	3.0
163.14880	4.2
165.12744	2.4
167.10732	0.7
169.10130	1.1
171.11723	2.5
173.13257	6.3
175.11180	8.4
175.14825	2.8
177.12729	1.0
177.16388	1.1
183.11703	1.4
185.13240	2.7
187.14806	4.2
189.11200	2.3
189.12718	1.1
193.12256	22.4
197.13292	0.8
199.14925	1.0
201.16380	2.0
203.14275	1.1
205.12244	1.1
207.13773	0.9
211.13222	2.0
211.14970	0.9
213.12898	0.9
215.17856	0.9
223.13171	1.0
227.12730	9.2
233.15460	1.1
235.13388	1.9
243.21132	5.9
249.14888	2.6
259.13345	2.1
259.20572	1.0
261.22153	17.0
267.15936	100.0
273.14877	1.4
279.23276	1.4
281.17807	0.8
285.22238	1.7
287.20004	0.8
291.23129	0.8
299.23569	1.3
301.14468	2.9
301.25262	6.7
303.23373	1.0
309.16992	4.7
317.24786	3.3
319.15396	1.0
333.24323	1.0
335.25815	83.3
359.25815	2.0
393.19016	0.9
403.24893	1.4
417.26248	1.6
417.31403	1.1
421.25925	2.7
431.28088	0.9
435.27475	2.3
435.32718	4.8
449.29123	1.6
453.33582	7.4
463.30560	1.3
471.34842	5.0
475.30746	1.4
491.35742	0.9
501.35846	0.9
509.36365	2.9
527.37354	76.2
545.38416	91.9
546.38837	1.3
559.40161	2.7
569.38422	9.6
577.41095	2.9
587.39703	1.6
611.39606	1.3
623.39172	3.3
635.39417	3.5
653.40454	2.8
671.41754	2.4
689.42017	1.2
821.33252	0.8
970.15161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.2
67.05507	27.2
69.03439	4.7
69.07073	14.5
71.04992	3.3
71.53249	1.4
73.02930	1.3
74.58142	0.8
79.05497	35.9
81.03420	36.0
81.07059	29.0
83.04980	10.4
83.08156	1.4
83.08620	20.7
85.02906	16.4
85.06539	2.4
91.03923	2.5
91.05482	31.2
93.06483	1.6
93.07044	25.5
95.04973	17.5
95.08615	14.4
97.02892	5.9
97.06532	10.0
97.10173	20.2
99.04465	1.0
99.08069	1.9
105.04558	0.9
105.07040	29.3
107.04956	9.7
107.08603	30.4
109.02894	1.5
109.06516	4.7
109.10172	9.3
111.04452	2.0
111.08080	7.5
113.06001	1.8
115.05430	1.5
117.07001	6.0
119.08587	22.2
121.06539	2.4
121.10159	11.4
123.08068	3.1
123.11746	2.3
125.09635	17.2
127.03919	2.8
128.06297	1.0
129.07011	7.2
131.08569	15.4
133.06520	2.1
133.10135	17.8
135.08031	3.7
135.11676	4.4
137.09647	1.6
141.07018	2.0
142.07794	2.7
143.08566	3.0
145.04944	1.2
145.06511	0.9
145.10124	13.8
147.08089	2.6
147.11685	16.7
149.09607	12.5
149.13258	1.3
151.11192	1.5
153.09116	2.1
155.08557	1.3
157.10144	10.4
159.11682	5.8
161.09578	1.2
161.13278	3.9
163.06018	1.1
163.11205	5.5
163.17764	1.0
164.56108	1.0
165.12759	1.2
169.10132	2.1
171.10275	1.6
171.11699	2.9
173.13295	2.4
175.11198	10.0
179.14275	2.9
180.57033	0.8
182.51410	0.9
183.11682	1.7
185.13309	1.6
187.11195	1.9
189.11244	8.0
189.12808	1.4
193.12250	26.7
197.13197	1.6
199.14912	1.0
203.14297	1.0
211.13289	37.8
219.13979	1.0
219.72812	1.0
225.99573	0.8
227.12773	30.5
227.94753	0.8
233.15247	1.0
239.17949	2.3
245.13956	1.8
257.19049	7.6
267.15933	17.9
269.17401	1.7
275.20078	31.0
285.16983	42.4
293.21152	2.0
299.20099	1.6
315.23108	1.4
331.22699	4.5
349.23737	36.9
367.24680	1.6
381.22504	1.7
389.18289	1.2
413.28561	1.2
419.24097	1.6
431.29474	1.8
437.25131	5.2
447.27408	1.2
449.30383	1.3
455.26532	7.0
461.29126	1.2
463.30768	2.6
465.28326	1.5
467.31653	1.6
477.28616	1.4
523.34192	4.8
541.35303	47.3
559.36328	100.0
560.36230	2.0
577.37341	15.1
581.29315	2.0
599.30396	2.4
703.39795	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03956	2.8
67.05507	53.5
69.03434	10.2
69.07069	20.1
71.01334	1.0
71.05001	7.3
71.39887	1.4
73.02906	4.0
77.03905	0.9
79.05494	51.6
81.03420	63.0
81.07058	69.5
83.04983	19.7
83.08617	25.9
85.02908	29.0
85.03445	1.1
85.06548	4.7
87.04452	0.6
91.03967	5.2
91.05482	54.8
93.07046	49.9
95.04971	25.2
95.08611	25.0
97.02896	10.8
97.06528	12.3
97.10165	7.8
99.04453	2.2
99.08115	3.4
103.05470	1.8
105.04543	1.6
105.07031	40.5
107.04288	1.0
107.04956	10.5
107.05624	0.9
107.07871	1.4
107.08596	27.1
109.02879	1.7
109.06520	7.9
109.09465	0.8
109.10168	9.6
111.04451	2.1
111.08086	11.3
113.06016	2.8
113.09677	1.0
115.05465	2.4
116.06226	0.7
117.07023	12.2
119.04937	1.4
119.08585	28.1
121.06503	4.3
121.10149	19.4
123.08060	4.5
123.11707	4.0
125.09610	3.3
127.03909	3.1
127.07584	1.1
128.06213	1.6
129.05553	1.1
129.07010	12.4
131.05028	0.7
131.08572	22.5
133.06508	2.7
133.09114	1.1
133.10135	23.9
135.08081	3.4
135.11688	10.8
137.09621	2.8
139.11188	1.1
141.07007	1.8
142.07799	3.4
143.08563	4.1
144.09334	0.9
145.04944	1.7
145.06487	1.0
145.10124	9.9
147.08046	3.8
147.11687	19.2
149.09627	12.2
149.13245	9.3
151.11189	1.6
155.08592	1.7
157.10123	14.0
159.08043	1.0
159.11685	8.7
161.09651	0.8
161.13266	1.8
163.05994	1.5
163.11189	5.8
165.12737	3.3
169.10136	2.4
171.11668	1.7
173.04486	2.4
173.13249	3.1
175.11182	13.3
177.12750	3.3
179.14343	1.1
181.12303	0.8
183.11671	1.1
185.13297	0.7
187.11110	0.8
189.11147	1.6
193.12242	34.3
195.13817	4.3
197.13312	0.8
201.12859	0.9
211.13289	43.5
215.14337	0.6
217.15997	1.0
227.12848	3.8
229.14301	1.2
229.19499	0.8
233.15457	0.9
239.17943	1.2
247.17014	0.7
247.20645	1.8
249.14917	1.1
253.14320	1.0
255.15840	7.6
257.18970	3.7
267.15921	30.7
269.14539	1.1
269.17487	29.1
275.20081	16.7
285.16965	53.2
293.21103	1.7
309.20627	0.9
331.22714	1.4
349.23758	16.9
367.24884	2.0
369.24677	0.9
373.24060	0.6
387.25320	0.9
413.21765	1.9
421.26083	1.5
435.27286	1.1
437.25311	0.7
439.27155	1.4
443.28021	5.2
447.27438	13.2
447.33182	0.9
461.29007	42.0
462.29352	0.9
463.30615	1.5
465.28473	15.0
466.28479	0.8
479.30048	100.0
480.30328	2.4
501.32083	1.3
513.35834	0.8
519.33630	0.9
523.33832	0.8
531.36945	1.1
541.35297	14.9
559.36304	26.8
577.37329	7.9
587.32172	1.4
605.32990	1.9
609.33179	0.8
623.34271	6.4
685.39911	0.7
703.40173	1.4
721.41266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	3.3
67.05505	57.9
69.03426	11.1
69.07067	27.9
71.04990	8.9
71.39869	1.0
73.02917	3.7
73.06567	1.1
77.03963	0.9
79.05492	68.2
81.03416	76.3
81.07053	70.0
83.04980	23.6
83.08617	34.8
85.02904	35.0
85.06548	3.8
87.04478	1.4
91.03950	5.6
91.05479	66.5
92.45708	1.0
93.07043	55.1
95.04967	32.1
95.08606	29.9
97.02897	13.3
97.06530	17.7
97.10165	19.2
99.04468	3.6
99.08088	3.2
103.05446	1.5
105.04508	2.1
105.07026	53.1
107.04961	14.5
107.08591	39.1
109.02876	2.9
109.06520	10.9
109.10153	13.7
111.04418	3.0
111.08075	14.5
113.06010	3.1
113.09634	1.2
115.05466	2.7
116.06209	1.4
117.07007	14.7
119.08582	40.3
121.06482	6.0
121.09341	0.8
121.10136	22.8
121.84576	1.2
123.04493	1.3
123.08087	6.4
123.11707	4.5
125.09620	16.9
127.03912	3.5
128.06242	2.2
129.07005	16.7
131.08571	29.0
133.06526	5.6
133.10130	31.1
135.08075	5.7
135.11700	11.7
137.09613	4.9
137.13277	1.5
138.80722	1.0
141.06990	2.4
142.07758	4.0
143.08568	5.1
145.04942	1.7
145.06485	1.8
145.10132	17.6
147.04376	0.9
147.08014	7.4
147.11676	29.6
149.09608	21.3
149.13249	7.8
151.11183	3.1
155.08582	1.9
157.10117	22.4
158.26773	1.1
159.08058	1.7
159.11691	10.3
161.09659	1.8
161.13261	4.0
163.06100	1.9
163.11154	7.9
165.12683	5.5
167.10738	1.0
169.10123	3.6
171.10310	1.8
171.11627	6.1
173.04486	2.8
173.09604	1.7
173.11847	1.2
173.13278	4.4
175.11185	21.8
177.12769	3.7
179.14314	3.2
183.11725	3.6
185.13269	1.6
187.11240	1.3
189.11217	6.0
190.74402	0.9
193.12241	51.8
194.12584	1.0
195.13835	2.3
197.13278	1.7
201.12718	1.4
211.13281	64.5
215.17860	1.1
227.12779	23.8
227.14937	1.8
229.14374	3.5
229.19493	2.0
239.17970	2.2
245.13881	1.8
247.20505	2.1
249.14880	1.3
255.15968	5.5
257.19012	9.9
267.15894	37.4
268.16330	1.5
269.17493	16.3
275.16956	1.3
275.20056	39.7
285.16962	73.9
293.17874	1.4
293.21063	3.0
317.20877	1.3
331.22565	4.5
345.37177	1.1
349.23730	50.9
367.24881	2.2
381.22186	2.2
419.24118	1.4
421.25751	2.8
437.25290	4.2
439.27039	8.4
443.28119	1.8
447.27469	9.5
449.30386	2.3
455.26471	7.4
459.27295	1.8
461.28979	25.5
463.30383	3.2
465.28476	11.9
467.31424	1.9
479.30020	60.7
493.28030	1.5
501.32126	1.4
523.34052	2.6
527.29675	1.2
541.35266	42.3
559.36304	100.0
560.36945	3.0
577.37354	13.2
599.30524	2.0
623.34351	6.2
703.40546	2.9
721.42072	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	934.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	1.9
67.05508	32.3
69.03427	10.0
69.07070	24.1
70.11073	0.8
70.11448	4.0
71.04987	3.1
73.02906	1.8
79.05495	34.2
81.03417	42.9
81.07057	35.4
81.07451	0.7
83.04981	12.1
83.08148	1.6
83.08624	24.0
85.02910	18.4
85.03379	1.9
85.06500	1.7
91.03958	3.2
91.05483	38.0
93.07048	25.5
95.01330	1.3
95.04974	22.8
95.08601	16.2
97.02889	12.4
97.06521	5.7
97.10172	14.6
98.20794	1.1
103.05450	1.1
105.04537	1.5
105.07033	26.9
107.04959	11.2
107.08598	16.0
109.06525	6.0
109.10162	11.1
111.04456	2.8
111.08073	7.8
112.65143	0.9
113.06033	1.3
115.05473	1.9
117.07033	7.3
119.04902	1.4
119.08583	20.7
119.09379	1.8
121.06526	5.1
121.10139	12.7
123.08086	4.4
123.11713	3.5
125.09628	10.7
127.03918	1.7
129.07011	10.5
131.08572	15.3
133.06488	5.0
133.10138	16.2
135.08047	5.0
135.11688	2.8
137.09630	2.8
141.07051	0.9
142.07773	3.1
143.08545	4.5
145.04915	1.4
145.06477	1.6
145.10143	7.6
146.08162	1.5
147.08066	7.6
147.11687	14.1
149.09607	6.6
149.13257	1.8
151.11200	4.8
153.09064	1.1
157.10139	11.5
159.07990	1.0
159.11713	3.3
161.09662	3.0
161.13113	1.1
162.95787	1.0
163.11172	5.1
163.28752	0.9
165.09013	1.2
165.12794	1.7
171.11667	2.1
173.09476	1.5
173.13252	1.1
175.11183	11.1
175.12524	1.0
177.12756	1.4
177.67407	0.9
179.10776	1.1
183.11728	1.1
187.11090	1.3
189.11255	3.8
189.12746	1.4
193.12259	29.3
205.12227	2.3
211.13293	42.2
219.13756	1.7
223.13292	17.9
227.12747	9.2
231.66408	1.0
245.19084	1.9
249.14896	3.9
253.14346	8.2
267.15921	37.4
273.18515	18.2
275.20026	1.4
283.15451	4.0
285.16965	45.6
291.19543	91.5
292.19858	1.3
346.35672	1.1
347.22333	4.4
349.23816	1.3
365.23254	53.2
437.25342	2.6
445.25693	2.1
455.26950	1.3
459.27322	3.5
463.26630	2.5
477.28482	4.7
483.30859	1.5
495.29446	3.9
539.33295	4.0
557.34766	67.6
558.34918	1.7
575.35791	100.0
576.35889	2.2
589.88293	1.0
621.32617	1.0
719.39697	2.0
754.65356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.1
67.05510	12.8
69.03085	0.6
69.03436	8.1
69.06728	0.5
69.07075	6.1
69.25744	1.1
69.26165	1.6
71.01351	1.1
71.04982	1.1
71.08635	0.5
73.02921	8.5
73.06560	0.3
79.05498	9.6
81.03418	4.2
81.07060	13.4
83.01365	0.3
83.04987	1.2
83.08626	3.2
85.02910	20.9
85.06540	0.8
87.04493	0.6
91.03960	11.8
91.05484	9.1
93.07050	10.1
95.04979	1.5
95.08611	10.9
96.00670	0.3
97.02900	17.5
97.06536	1.1
97.10173	2.4
98.21549	0.7
99.04462	2.1
99.08104	0.8
101.02408	1.9
103.03915	0.5
103.05454	0.4
105.04515	0.5
105.07034	7.9
107.04982	0.5
107.08598	6.6
109.02850	1.4
109.06509	1.2
109.10162	4.7
111.04478	0.5
111.08096	0.6
115.03939	1.1
115.05440	1.0
116.06413	0.3
117.07025	4.6
119.06174	0.3
119.08591	8.8
121.06480	0.5
121.10149	4.8
122.10495	0.3
123.08095	0.8
123.11737	1.4
125.09663	0.9
127.03922	4.7
128.06248	1.4
129.05559	0.4
129.07019	7.4
130.07773	0.7
131.08582	7.6
133.10133	6.7
135.08124	0.6
135.11705	3.0
137.09616	0.6
137.13278	0.7
139.11189	0.3
141.07005	3.4
142.07819	2.1
143.08566	7.1
144.09363	0.5
145.04984	3.0
145.10132	7.3
147.08046	0.5
147.11708	3.7
149.09641	0.7
149.13275	1.2
151.11241	0.5
153.06931	0.7
153.09077	0.4
154.07771	0.9
154.60422	0.3
155.08565	6.9
156.09367	1.3
157.10150	7.8
158.10941	0.4
159.04713	0.3
159.08051	0.5
159.11703	5.9
161.09700	0.5
161.13272	2.0
163.06042	1.5
163.14876	0.5
165.07005	1.2
167.08575	3.9
168.09387	1.2
169.10141	7.8
170.10942	0.7
171.11691	6.9
171.13142	0.4
173.09792	0.4
173.13258	3.8
175.14865	1.1
177.12787	0.4
177.16389	0.4
178.07841	0.5
179.08551	1.9
180.09349	0.6
181.10138	5.7
181.11621	0.4
182.10944	1.0
183.11702	9.0
184.12445	0.6
185.09653	0.3
185.11703	0.3
185.13275	5.5
187.14871	1.8
189.16458	0.6
191.08664	0.3
193.10117	2.3
194.10924	0.5
195.11696	6.0
196.12560	0.7
197.09538	0.4
197.13263	6.5
198.14058	0.6
199.11259	0.4
199.13217	0.6
199.14844	3.9
201.12723	0.3
201.16417	1.0
203.18033	0.7
205.10182	0.9
207.11714	2.5
208.12355	0.3
209.13255	5.3
210.14024	0.4
211.14836	4.1
212.15633	0.5
213.12935	0.5
213.16420	2.4
215.17856	0.3
219.11734	1.0
220.12346	0.3
221.13315	2.2
223.11433	0.3
223.14847	4.1
225.16417	2.3
227.18109	1.5
231.11725	0.5
233.13367	0.9
235.14813	2.1
237.16391	2.7
239.18088	1.7
241.19705	0.7
245.13353	0.4
247.14867	0.7
249.16502	1.4
251.18025	1.6
253.19600	1.3
261.16452	0.4
261.22101	0.3
263.18015	1.0
265.19467	1.0
269.22772	0.4
271.20706	0.3
277.19382	0.4
279.21005	0.7
281.18915	0.4
283.20490	0.4
285.22037	0.4
289.19589	0.6
291.21088	0.6
293.18927	0.6
295.20731	0.6
297.22049	0.7
299.23495	0.3
307.20770	0.5
311.23746	0.7
313.27347	0.6
321.22214	0.8
323.23676	0.9
325.25372	0.4
335.23468	0.6
336.26086	0.4
337.25299	1.0
339.23212	0.5
339.26907	0.4
347.23593	0.5
349.25354	0.7
351.23123	0.6
351.26898	1.2
353.24591	0.5
361.25558	0.5
363.26965	0.8
365.24567	0.5
365.28308	0.6
367.26306	0.4
377.28503	0.7
379.26068	0.5
379.30203	0.5
381.27594	0.4
387.26675	0.5
391.30121	0.5
395.29602	0.4
407.29553	0.5
415.29422	0.4
429.31387	0.4
435.32758	0.5
447.33182	0.6
449.34140	0.4
470.04749	0.3
473.32663	0.4
489.41592	0.4
499.39832	0.5
501.35736	0.7
511.34421	0.6
513.35956	0.6
515.38470	0.6
517.40509	4.3
521.36115	0.5
525.35333	0.7
527.37573	0.9
529.39972	0.5
535.41516	1.6
539.37164	1.7
541.38971	1.3
553.40338	0.4
555.41284	0.4
573.42651	0.5
581.42242	0.5
591.44031	5.7
607.43781	2.6
609.45160	100.0
610.45221	2.5
611.46869	0.9
621.45099	2.3
625.43378	0.4
633.45270	1.5
645.44421	0.4
651.46405	1.9
663.45966	0.5
675.46228	0.6
693.47589	0.5
699.46112	1.3
717.47302	2.0
735.48114	3.2
753.49481	3.6
771.50446	28.9
772.50879	0.6
897.53552	0.4
915.55994	0.4
933.55835	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	932.6306
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.1
67.05508	34.7
69.03428	2.6
69.07076	10.0
69.07419	0.8
71.05025	1.0
71.08636	18.4
73.02922	4.0
75.04467	0.5
79.05495	18.9
81.03449	0.8
81.07057	43.3
83.04979	1.2
83.08619	10.6
85.02911	15.4
85.06552	1.0
85.10184	10.8
85.10664	0.8
89.06073	1.0
91.03960	10.1
91.05476	10.6
91.91765	0.6
93.07045	24.7
95.04987	1.6
95.08609	41.0
97.02896	8.2
97.06556	2.0
97.10175	4.8
99.04469	0.9
99.08127	0.8
103.07603	1.5
105.04620	0.5
105.07036	8.6
107.08600	15.4
107.09291	0.8
109.06541	0.7
109.10159	18.2
111.08115	1.0
111.11734	1.2
113.09642	0.9
115.03972	0.7
117.07029	3.0
119.08586	7.6
121.10148	14.8
123.08114	1.0
123.11707	8.7
127.03932	4.1
131.08574	7.4
133.10139	6.3
135.11687	10.4
137.13264	3.0
139.11182	0.9
144.06598	0.6
145.04942	5.0
145.05836	0.5
145.10130	6.5
147.11685	4.4
149.13264	6.7
151.14856	1.1
159.11705	4.7
161.13277	3.5
163.06015	7.3
163.07230	0.6
163.11252	0.6
163.14801	4.0
173.13275	5.1
175.14882	1.0
177.16479	1.3
179.07993	0.5
179.14334	0.6
180.08635	0.9
187.14766	2.6
201.16428	1.4
205.16045	0.6
218.69907	0.5
222.03769	0.5
233.22780	0.8
239.21722	0.6
239.23660	3.1
243.21083	8.5
257.24734	1.6
261.22144	36.2
262.22345	0.9
279.23138	0.7
298.27518	0.5
299.23767	0.7
313.27374	100.0
314.27701	1.5
317.24667	5.8
335.25800	77.8
336.26205	1.3
499.45132	1.4
573.48779	45.5
574.48730	1.2
591.49817	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	920.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.2
67.05505	43.5
69.03405	2.4
69.07068	8.5
71.04991	14.4
73.02923	2.0
73.06543	0.6
79.05495	24.8
81.03412	1.9
81.07055	67.4
82.07354	0.4
83.04978	2.9
83.08618	6.0
85.02907	8.1
85.06548	6.1
91.03957	4.8
91.04901	0.8
91.05479	19.8
93.07043	28.8
95.04995	2.5
95.08603	20.4
96.04490	0.5
97.02892	4.8
97.06522	3.8
97.10179	1.8
99.04430	0.8
99.08109	0.9
101.02367	0.5
105.07024	11.7
107.08595	18.1
109.02882	0.7
109.06496	2.0
109.10153	10.8
111.08073	2.2
116.50301	0.4
117.07009	4.1
119.08581	6.6
121.10144	12.2
123.08070	1.4
123.11708	11.4
125.09655	0.9
127.03918	1.4
129.05478	0.6
129.07018	0.6
131.08557	6.4
133.10130	14.7
133.11090	0.8
135.08040	0.6
135.11697	7.7
139.11209	0.5
143.10594	0.4
145.04974	2.0
145.10143	3.9
147.11708	4.0
149.13263	4.6
151.11180	6.5
153.12775	0.7
154.31082	0.4
154.64069	0.4
157.10155	0.9
159.11693	5.6
161.13255	2.8
163.06035	1.7
163.11229	0.6
163.14876	1.0
169.12256	0.8
173.04486	0.5
173.13292	2.4
175.14835	1.1
177.12769	2.1
179.14360	0.7
183.13882	1.6
185.13211	1.1
187.13321	3.5
187.14821	0.8
195.13824	0.8
199.14848	0.5
201.14754	0.6
227.16373	0.9
229.14476	0.9
243.15938	0.7
243.21175	0.7
257.17502	1.3
261.22147	2.2
269.17468	4.3
270.56943	0.4
301.20059	9.7
335.25790	20.3
336.26291	0.5
363.25555	0.5
411.32455	0.7
437.34601	0.8
445.24429	1.1
485.36301	1.8
503.37314	60.9
504.37570	1.0
511.37793	0.6
517.38855	1.5
529.38873	16.4
541.57813	0.5
547.39868	1.2
561.41504	100.0
562.41919	2.4
647.41748	0.8
673.43292	0.6
691.44897	0.5
701.13226	0.5
705.44971	2.1
845.44464	0.5
920.51147	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.522
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.5
67.05511	68.7
69.03444	6.7
69.07072	30.9
69.07397	0.5
69.07458	0.9
69.24834	7.6
71.01315	1.2
71.05002	6.8
73.02898	2.7
73.58553	0.9
78.18514	0.8
79.05500	52.1
81.03426	17.5
81.07064	92.5
83.04994	12.2
83.08624	22.8
85.02903	11.6
85.06540	4.2
91.03934	3.5
91.04904	1.5
91.05488	43.3
93.07051	73.7
95.04988	11.2
95.08615	29.7
97.02902	8.3
97.06536	16.8
97.10168	8.9
97.73418	0.8
98.20786	1.5
99.04464	2.3
99.08090	2.8
105.04568	1.7
105.06320	1.1
105.07041	30.1
107.04977	7.0
107.08603	44.3
109.02853	2.0
109.06521	6.0
109.10157	8.8
111.04424	2.1
111.07468	1.0
111.08102	9.3
113.05997	1.5
113.09666	1.5
115.05466	1.5
117.07034	17.8
119.08589	20.7
121.06528	4.3
121.10151	22.3
123.04443	0.9
123.08107	4.1
123.11755	4.8
125.09628	7.7
127.03924	5.1
128.06242	0.9
129.05521	1.4
129.06998	6.5
131.08589	21.3
133.10144	24.8
135.08078	4.7
135.11711	16.5
137.09633	2.5
139.01556	0.8
139.11180	2.0
141.06975	1.6
142.07803	1.6
143.08565	3.5
145.04959	2.5
145.06467	1.0
145.10133	13.1
147.08047	1.6
147.11699	15.8
149.09633	10.4
149.13271	27.6
151.11172	3.2
155.08556	1.7
157.10098	6.0
159.08124	1.2
159.11703	19.3
161.09605	1.1
161.13295	4.4
163.06046	1.8
163.11162	6.2
165.12744	2.2
169.10295	1.6
171.11717	3.6
173.04524	1.8
173.13258	5.3
175.11212	2.8
175.14856	1.8
177.12732	6.4
179.14348	2.5
183.11673	3.0
185.13327	2.0
187.11179	1.0
187.14845	2.2
189.11209	4.0
189.12840	0.9
193.12276	5.7
195.13823	12.5
197.13333	1.6
199.14809	1.2
211.13312	10.1
211.15050	1.2
213.14854	1.1
227.12830	12.0
229.14395	1.8
229.19472	1.5
239.18025	2.4
241.19365	2.0
247.20491	1.5
251.16360	2.0
255.15939	3.7
257.19086	7.1
259.20572	10.2
267.15854	4.7
269.17499	88.2
275.20090	25.6
277.21872	0.9
283.15338	1.6
285.16989	10.5
293.21021	2.8
321.24133	1.1
331.22714	3.6
333.24301	8.0
339.18082	1.1
349.23782	24.7
351.25375	2.2
365.23416	1.9
367.24777	1.8
413.21814	2.1
423.27521	5.9
433.30734	1.5
439.26883	7.4
445.29468	2.5
447.31216	1.5
449.29028	24.9
451.31696	1.7
463.30582	98.9
464.30978	1.5
469.32999	1.7
477.28156	1.3
479.30060	1.0
503.33688	2.1
510.59048	1.1
525.35675	8.9
543.36877	100.0
544.37189	2.8
561.37842	22.5
583.30817	1.5
607.35254	6.2
687.40839	2.7
705.41632	4.1
874.57153	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	2.4
67.05510	35.4
69.03428	3.7
69.07072	10.1
71.04993	4.1
73.02916	3.2
77.03954	1.0
79.05501	41.6
81.03425	38.3
81.07065	41.4
83.04990	10.8
83.08151	1.3
83.08628	17.7
85.02432	1.6
85.02913	20.3
85.06554	2.3
90.44874	0.8
91.03976	4.5
91.05489	50.3
93.07054	37.4
95.04977	20.1
95.08614	22.6
97.02895	5.7
97.06548	4.7
97.10184	5.5
99.08078	2.2
105.04516	1.2
105.07040	48.7
107.04967	6.4
107.08607	21.6
109.02856	1.3
109.06538	4.7
109.10166	9.1
111.04438	1.5
111.08084	8.2
113.06001	2.6
115.05450	2.4
116.06271	1.1
117.07022	13.1
118.07723	0.7
119.04918	0.9
119.08595	42.6
120.37392	0.8
121.06506	2.3
121.09348	1.0
121.10164	18.7
123.08079	3.1
123.11721	2.7
125.09641	3.3
127.03920	1.3
128.06239	2.3
129.07018	15.2
130.07816	1.0
131.08572	27.4
131.09534	1.4
133.06520	2.6
133.10141	30.6
135.08054	1.8
135.11693	12.2
137.09616	3.1
141.07018	1.7
142.07805	2.7
143.08539	6.2
145.04947	1.6
145.10133	15.2
147.08061	3.3
147.11700	32.2
149.09631	7.6
149.13277	8.2
155.08553	3.2
157.10138	16.4
159.11713	14.3
161.13275	15.8
163.06058	2.6
163.11177	3.0
163.14851	1.9
165.12772	2.1
167.08522	1.2
169.10136	2.6
169.75586	0.9
171.11691	7.8
173.09616	1.0
173.11940	1.1
173.13298	8.1
175.11182	10.0
175.14841	7.1
177.12805	1.2
181.10144	2.0
183.10275	1.1
183.11761	3.7
185.13261	7.3
187.11244	0.9
187.13368	0.9
187.14914	2.1
189.11252	1.7
189.12804	1.1
189.16428	1.0
191.10745	1.0
193.12256	27.6
195.11674	1.0
197.13283	2.6
199.14870	6.2
201.16440	1.5
203.14217	1.1
211.13295	39.5
213.12677	1.3
213.16472	1.4
215.17999	0.9
227.12796	4.1
229.14285	2.4
231.17462	1.2
231.21083	3.2
237.16360	1.3
239.17993	1.0
241.19531	16.1
257.19067	2.1
259.20599	45.1
261.22195	1.3
265.14359	1.5
267.15900	14.7
269.17554	3.1
275.20102	1.9
277.21536	1.6
283.15390	4.3
283.20462	1.8
285.16983	48.7
297.21982	1.2
299.23697	1.8
301.21603	1.5
309.22372	1.2
315.23254	4.8
333.24258	38.3
339.23154	1.8
349.23901	2.4
351.25201	1.5
367.22684	1.1
415.29904	1.5
421.26062	1.0
433.31134	7.5
435.27292	1.1
439.26785	1.1
449.29086	1.0
451.32230	7.3
463.30704	2.1
469.33151	4.4
487.34409	0.8
507.34680	3.3
515.37408	4.4
525.35791	34.1
543.36877	100.0
544.37268	2.3
561.37952	6.0
567.36768	1.2
627.38086	0.9
651.38416	2.5
669.40485	1.3
687.40826	3.5
705.41223	1.4
758.47870	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	2.3
67.05510	35.2
69.03432	3.2
69.07074	11.1
71.05007	3.4
73.02916	2.3
77.03909	1.3
79.05500	41.9
81.03425	33.6
81.07064	36.9
82.30344	0.6
83.04985	9.3
83.08157	1.1
83.08624	15.3
85.02911	16.9
85.06532	2.8
91.03979	4.7
91.05488	55.3
93.07052	41.9
95.04974	15.4
95.08615	22.4
97.02899	6.4
97.06554	5.0
97.10175	3.3
99.04475	0.7
99.08106	1.9
103.05485	1.7
105.04527	1.2
105.07039	52.8
107.04968	5.4
107.08604	21.9
109.06527	4.7
109.10168	9.5
111.04465	1.8
111.08088	7.0
113.04652	0.6
113.06020	1.1
113.09657	0.8
115.05470	2.7
117.07024	13.3
119.04953	0.7
119.08591	45.8
121.06509	2.2
121.10157	19.0
123.08070	3.5
123.11744	3.3
125.09651	2.3
127.03932	1.6
128.06226	1.6
129.05566	0.7
129.07014	18.0
131.08586	22.0
133.06505	2.0
133.10144	39.4
135.08052	2.1
135.11710	11.6
137.09616	2.5
137.13316	0.8
139.11298	0.7
141.06995	1.9
142.07806	3.4
143.08580	9.2
144.09325	0.9
145.04979	1.5
145.10139	16.7
145.11292	0.9
147.08043	2.3
147.11702	36.9
149.09634	5.0
149.13274	8.2
151.11157	1.7
155.08591	2.7
157.10147	18.5
159.11702	11.8
161.09644	1.1
161.13272	16.7
163.06046	1.9
163.11169	2.0
163.14868	1.5
165.12801	2.6
167.08638	1.3
169.10149	2.4
171.11690	10.5
173.11841	0.8
173.13257	7.6
175.11191	10.9
175.14844	7.1
177.12776	0.8
179.08551	0.7
181.10162	1.6
181.12285	0.9
183.11681	3.9
185.13275	9.1
187.14778	3.2
189.16400	0.9
193.12260	24.1
195.11699	1.5
197.13301	1.8
199.14882	4.5
203.14360	0.9
209.13312	1.4
211.13301	29.4
213.16620	1.6
217.15839	0.9
227.12775	2.7
229.14331	1.8
231.17560	1.1
231.21037	4.7
241.19533	19.3
257.19031	2.8
259.20599	63.0
260.21097	0.9
261.22256	1.5
265.14337	0.9
267.15936	15.3
267.18649	1.4
269.17340	1.2
275.20181	1.8
277.21799	1.6
283.15430	4.0
283.20490	1.2
285.16995	36.3
297.22125	2.1
299.23810	1.9
301.21585	1.2
306.29791	0.7
313.21683	0.8
315.23163	5.6
333.24277	46.9
334.24658	0.8
335.25897	1.6
339.23227	1.4
357.24350	0.9
367.22797	1.8
371.26013	1.1
389.26953	1.0
403.25116	0.8
415.30167	1.9
421.25986	1.7
423.32352	0.9
433.31012	6.7
449.28809	1.0
451.32132	8.2
469.33435	3.7
487.34512	0.9
489.33920	0.8
507.34906	3.7
515.37457	4.8
525.35785	38.7
543.36865	100.0
544.37152	2.5
561.37787	5.9
622.59521	0.8
651.38812	3.0
653.59216	0.7
669.39807	2.4
687.41180	3.4
705.42102	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.7
67.05505	77.0
69.03429	8.0
69.07072	28.1
71.04998	6.9
71.08651	2.3
71.26764	1.2
73.02914	3.7
79.05492	61.0
79.48812	1.0
81.03419	15.6
81.07056	100.0
83.04985	12.1
83.08157	1.6
83.08624	23.9
84.63881	0.9
85.02901	11.1
85.06551	5.6
91.03977	5.4
91.04899	1.6
91.05483	44.2
93.07043	73.2
95.04977	9.4
95.08607	30.6
95.09072	0.6
97.02896	9.3
97.06532	19.0
97.10157	8.0
99.04447	1.5
99.08085	3.9
103.05475	1.1
105.04518	1.9
105.07035	29.8
107.04973	6.4
107.08595	46.0
109.02856	2.4
109.06539	6.6
109.10155	11.0
111.04396	1.4
111.08077	8.5
113.06013	1.3
115.05427	1.4
116.06210	0.9
116.49669	1.0
117.07008	15.8
119.08581	19.4
119.73626	0.9
121.06516	5.7
121.10142	25.7
123.04483	1.3
123.08057	3.4
123.11693	6.1
125.09634	7.5
127.03914	4.1
127.07516	1.2
128.21120	1.1
129.05505	1.2
129.07010	6.4
130.07777	1.6
131.04861	0.9
131.08574	20.5
133.06482	1.0
133.10139	28.2
135.08049	4.6
135.11694	15.9
137.09599	1.9
139.03879	1.0
139.11153	1.1
143.08586	3.6
145.04964	2.1
145.06483	1.0
145.10115	11.5
147.08128	1.3
147.11690	11.5
149.09631	9.5
149.13252	22.1
151.03951	1.1
151.11179	2.6
155.08511	2.6
157.10129	5.1
159.08041	1.3
159.11687	17.4
161.09624	0.9
161.13196	4.5
163.06039	1.7
163.11166	6.7
165.12773	2.3
167.14401	1.1
169.10135	2.1
171.10289	1.0
171.11684	4.0
173.04454	2.2
173.13277	3.8
175.11227	2.6
175.14864	1.1
177.12756	8.3
179.14273	3.2
181.10088	1.0
183.03239	0.9
189.11197	5.0
191.14401	1.0
193.12192	4.2
195.13799	12.5
197.13249	1.8
200.01215	1.0
211.13258	5.0
213.14781	1.5
221.15181	0.9
227.12781	12.9
229.14238	1.7
229.19440	1.4
239.18211	1.3
247.20596	2.4
251.16397	2.0
253.14644	0.9
255.15944	2.8
257.18997	6.0
259.20575	3.7
261.14761	1.2
267.15909	5.1
269.17484	72.7
275.20050	22.2
277.21475	2.5
283.15219	1.1
285.17023	8.7
286.37076	1.0
293.21027	1.7
331.22708	2.8
333.24210	2.5
339.17914	1.4
349.23734	24.5
351.25229	2.9
365.23428	1.7
367.24710	2.7
413.21552	2.8
423.27374	4.9
433.30768	1.3
439.26984	5.2
445.29422	3.4
447.30835	1.2
449.29037	22.1
451.31738	1.4
461.28870	1.1
463.30542	91.9
464.30594	1.8
469.33572	1.1
503.33771	1.7
515.37012	1.5
525.35559	6.6
543.36804	78.9
544.36926	2.1
561.37866	21.5
583.31207	1.7
593.32684	1.4
607.34680	6.6
687.40582	3.1
705.41284	2.4
865.05554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5235
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	1.5
69.03427	2.4
69.07085	0.6
69.85352	2.1
71.01368	0.5
71.05002	0.8
71.08640	0.6
73.02917	2.1
79.05511	1.4
81.03413	2.4
81.07054	1.4
83.08620	0.8
85.02898	4.0
87.04511	0.4
87.18093	0.4
91.03966	2.1
91.05507	1.0
93.07066	1.0
95.05007	0.9
95.08632	1.2
97.02889	4.4
98.20851	0.7
99.04457	0.6
101.02379	1.2
103.86735	0.4
105.07046	0.9
107.08616	0.5
109.02892	0.8
109.06540	0.4
109.10191	0.8
119.08594	0.7
121.10184	0.9
127.03944	1.2
131.08615	0.8
133.10150	0.7
135.26875	0.4
142.52638	0.3
147.11783	0.5
149.09613	0.7
155.93196	0.4
157.10161	0.6
175.11330	0.5
185.04317	0.5
193.12354	1.1
203.05298	0.6
222.62784	0.4
225.15033	0.5
243.08519	1.7
267.15985	1.0
283.15323	1.5
311.86234	0.4
313.27567	0.5
339.17889	0.9
347.09412	2.2
365.10632	0.5
405.13626	4.8
464.18549	0.4
469.20868	0.6
488.64023	0.4
497.30890	5.0
501.23022	8.4
630.81750	0.5
659.36035	5.6
663.28412	9.9
757.46936	3.2
919.52386	100.0
920.53296	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	919.272
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	0.1
65.55977	0.1
68.99815	0.2
69.03420	0.7
70.64733	0.2
70.65096	0.1
71.01353	0.2
71.04993	10.6
73.02922	0.9
75.04478	0.6
79.05475	0.1
81.03418	0.3
83.04982	2.2
85.02903	13.9
87.04483	0.4
91.03951	0.5
93.03404	0.2
95.04961	0.4
97.02898	0.9
97.06521	0.2
99.04454	0.5
101.06095	0.1
107.04919	0.1
109.02873	0.4
111.00800	0.6
111.04445	1.7
113.05993	0.2
115.03888	0.1
117.05494	0.3
121.02868	0.6
123.04420	0.2
125.06001	0.2
127.03922	0.8
129.05482	3.9
135.04440	0.1
137.02325	2.0
137.05975	0.1
137.60901	0.1
139.03885	0.2
145.04932	0.4
147.04483	0.1
147.06541	1.4
149.02356	0.3
151.04033	0.1
151.07518	0.1
153.00591	0.1
153.01822	2.0
153.02997	0.2
153.05431	0.5
157.04971	0.1
159.06583	0.1
161.06052	0.2
163.02731	0.1
163.03918	0.5
163.05946	0.5
165.01840	1.3
166.02623	0.2
171.06554	0.2
173.06020	0.1
177.01875	0.1
183.02890	0.6
183.04253	0.1
183.06502	0.1
187.03935	0.2
189.32283	0.1
191.03429	0.2
195.02922	0.3
199.63689	0.1
201.05507	0.7
201.07346	0.1
205.04944	0.2
211.04030	0.1
213.07700	0.1
215.03725	0.1
219.02939	0.1
219.06528	0.2
229.04962	2.6
239.03465	0.1
239.09074	0.6
247.06029	0.8
255.08701	0.2
257.04480	2.1
257.10214	0.3
273.09717	0.1
274.04797	0.5
275.05545	0.2
275.11343	0.3
279.05106	0.1
285.04004	1.1
287.05511	3.8
293.12192	0.2
299.05334	0.1
303.04977	100.0
304.05304	1.0
315.04962	0.6
327.05072	0.2
341.06818	0.1
345.06052	1.3
357.31836	0.1
369.06119	0.5
413.08557	0.4
431.09702	0.3
449.10754	2.0
465.10294	31.0
466.10742	0.5
611.16113	0.8
627.15375	0.9
782.33673	0.1
884.62988	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	918.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	2.1
67.05507	30.9
69.03430	2.3
69.06726	1.5
69.07074	20.1
71.04980	3.8
79.05499	33.6
81.03423	35.3
81.07061	44.1
83.04993	11.1
83.08626	13.5
85.02908	15.4
85.06536	2.2
91.03955	1.4
91.05483	50.1
93.06486	1.9
93.07049	29.5
95.01350	5.3
95.04970	17.6
95.08617	20.9
97.02889	3.7
97.06529	23.2
97.10144	4.0
105.04507	2.4
105.07036	61.3
107.04967	15.0
107.05644	1.8
107.08611	16.4
109.06522	5.2
109.10176	7.2
111.04427	1.8
111.08072	5.7
113.05980	1.8
115.05476	1.7
117.07037	12.0
119.04927	1.0
119.08582	38.6
121.06483	2.9
121.10139	9.3
123.04456	1.6
123.08063	4.4
123.11731	1.4
125.09634	2.8
129.07022	8.3
131.08574	18.2
133.06499	2.1
133.10138	31.1
135.08060	3.5
135.11658	5.6
135.62961	1.0
137.09641	3.2
139.07587	1.5
142.07779	2.2
143.08568	2.4
145.06458	1.7
145.10135	12.3
147.08025	1.5
147.11703	17.1
149.08733	0.9
149.09654	9.8
149.13226	2.8
151.11206	1.8
154.36035	1.2
155.08437	1.2
157.10155	11.5
159.11703	6.3
161.13275	2.9
163.11179	4.0
165.12752	1.8
169.10037	1.9
171.11705	2.8
173.13219	2.2
175.11224	8.8
177.12747	2.2
179.14322	9.1
183.11719	1.5
185.13306	1.5
187.11296	1.6
193.12248	20.5
197.13239	1.8
211.13310	19.6
220.26944	0.9
229.03951	1.2
257.19019	3.7
260.66925	1.0
267.15927	29.9
275.20071	46.8
279.15860	2.1
285.16980	49.3
293.21112	3.0
339.08002	1.4
349.23752	24.0
351.46017	1.1
461.29065	2.2
535.20605	1.0
541.35284	76.1
559.36340	100.0
560.36609	1.8
577.37152	2.5
591.13446	1.2
696.11499	1.3
703.40234	4.0
783.51233	1.2
843.10669	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	2.1
67.05507	30.9
69.03430	2.3
69.06726	1.5
69.07074	20.1
71.04980	3.8
79.05499	33.6
81.03423	35.3
81.07061	44.1
83.04993	11.1
83.08626	13.5
85.02908	15.4
85.06536	2.2
91.03955	1.4
91.05483	50.1
93.06486	1.9
93.07049	29.5
95.01350	5.3
95.04970	17.6
95.08617	20.9
97.02889	3.7
97.06529	23.2
97.10144	4.0
105.04507	2.4
105.07036	61.3
107.04967	15.0
107.05644	1.8
107.08611	16.4
109.06522	5.2
109.10176	7.2
111.04427	1.8
111.08072	5.7
113.05980	1.8
115.05476	1.7
117.07037	12.0
119.04927	1.0
119.08582	38.6
121.06483	2.9
121.10139	9.3
123.04456	1.6
123.08063	4.4
123.11731	1.4
125.09634	2.8
129.07022	8.3
131.08574	18.2
133.06499	2.1
133.10138	31.1
135.08060	3.5
135.11658	5.6
135.62961	1.0
137.09641	3.2
139.07587	1.5
142.07779	2.2
143.08568	2.4
145.06458	1.7
145.10135	12.3
147.08025	1.5
147.11703	17.1
149.08733	0.9
149.09654	9.8
149.13226	2.8
151.11206	1.8
154.36035	1.2
155.08437	1.2
157.10155	11.5
159.11703	6.3
161.13275	2.9
163.11179	4.0
165.12752	1.8
169.10037	1.9
171.11705	2.8
173.13219	2.2
175.11224	8.8
177.12747	2.2
179.14322	9.1
183.11719	1.5
185.13306	1.5
187.11296	1.6
193.12248	20.5
197.13239	1.8
211.13310	19.6
220.26944	0.9
229.03951	1.2
257.19019	3.7
260.66925	1.0
267.15927	29.9
275.20071	46.8
279.15860	2.1
285.16980	49.3
293.21112	3.0
339.08002	1.4
349.23752	24.0
351.46017	1.1
461.29065	2.2
535.20605	1.0
541.35284	76.1
559.36340	100.0
560.36609	1.8
577.37152	2.5
591.13446	1.2
696.11499	1.3
703.40234	4.0
783.51233	1.2
843.10669	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03956	0.7
67.05513	15.1
69.03442	3.1
69.07076	3.9
71.04999	2.8
71.54352	0.4
73.02917	0.5
74.35956	0.3
77.62923	0.3
77.76605	0.3
79.05502	17.3
81.03426	43.0
81.07065	15.6
83.04992	3.7
83.08630	14.4
83.09124	0.7
84.04529	0.3
85.02915	2.3
85.06551	1.6
91.03969	1.5
91.04902	0.5
91.05490	13.3
93.07052	12.2
95.04978	18.7
95.08064	0.2
95.08614	7.2
97.02895	2.5
97.06544	2.0
97.10183	14.2
99.04456	0.4
99.08092	0.5
103.05508	0.4
105.03381	0.4
105.07044	9.7
107.04970	12.0
107.08604	10.7
109.02872	1.2
109.06534	7.8
109.10165	5.3
111.04472	1.0
111.08098	5.4
113.05976	0.6
115.05471	1.4
117.07043	4.5
119.04953	1.0
119.08601	10.7
121.06522	9.3
121.10163	7.9
123.04440	1.8
123.07222	0.4
123.08083	4.5
123.11733	1.2
125.06022	1.0
125.09644	13.4
127.03958	0.6
128.06201	0.6
129.05530	0.4
129.07019	7.8
129.81554	0.3
131.04921	1.9
131.08575	9.1
133.06519	4.0
133.10141	3.9
135.04474	0.5
135.08061	5.4
135.11729	1.8
137.05984	1.0
137.09596	1.5
139.07565	0.5
139.11205	0.5
141.06999	1.1
142.07841	1.7
143.08601	3.0
143.10597	0.3
145.05200	0.6
145.06488	6.2
145.10132	3.6
147.04469	1.8
147.08066	5.3
147.11696	5.9
149.06044	0.4
149.09634	4.3
149.13263	0.5
151.07576	0.9
151.11218	0.5
153.09116	3.8
153.12752	1.2
155.08565	1.7
157.06517	1.5
157.10136	7.5
159.08067	2.3
159.11702	2.0
161.06003	1.2
161.09653	1.9
161.13344	0.5
163.06039	0.7
163.07407	0.4
163.11194	3.6
165.12794	1.4
167.08582	0.8
167.10722	1.1
169.10196	1.6
171.08046	1.4
171.10217	1.1
171.11751	1.9
173.06017	0.5
173.09621	1.7
173.11929	0.6
173.13307	1.6
175.07588	0.5
175.11206	6.9
175.14806	0.3
177.12798	1.3
179.08614	0.6
180.45732	0.3
181.10170	0.7
183.08041	0.6
183.11685	0.8
185.09642	1.1
185.13312	1.3
187.11234	1.8
187.14873	1.4
189.09242	1.0
189.11230	7.7
189.12798	1.3
191.10684	0.5
191.14346	1.9
193.10449	0.7
193.12260	17.5
195.08121	0.3
195.11674	1.5
197.09665	1.0
197.13347	1.7
199.11241	2.0
199.13316	0.9
201.12811	0.8
203.10660	0.7
203.14241	0.4
205.12292	2.1
207.11903	0.3
207.13913	0.6
209.09587	0.4
209.13217	0.9
211.11288	1.1
211.13333	1.4
211.15018	0.4
213.12750	1.5
215.14268	2.2
217.12314	1.5
219.11794	0.5
219.13803	3.2
223.11221	0.8
223.13345	1.4
225.12727	0.9
225.14743	0.4
227.12491	2.2
227.14456	1.1
231.13875	1.6
233.13254	0.6
233.15395	4.5
235.11215	0.6
235.13356	2.0
237.12848	1.5
237.14789	0.5
239.14403	1.0
241.12198	0.7
241.14459	0.8
243.13799	1.3
245.15399	1.5
249.14886	2.2
251.14343	0.4
255.13911	2.3
257.15408	1.0
259.13284	2.2
263.16510	0.5
267.15945	47.8
268.16412	0.4
269.15460	0.5
271.17017	0.8
273.14783	7.9
275.16541	1.2
281.15436	0.6
283.16876	0.7
287.16534	1.1
289.18011	0.4
291.15869	0.9
293.17526	1.3
297.18448	0.5
299.16385	0.7
301.14545	0.7
309.17090	1.2
311.16577	0.4
321.22202	0.5
323.16400	0.3
331.20456	0.4
337.16489	0.4
339.23251	3.7
349.21622	5.4
357.24353	2.7
362.96188	0.3
367.22714	12.6
385.23761	20.9
386.24075	0.4
403.24927	5.7
405.24008	0.6
423.25446	0.9
441.26379	10.0
459.27466	100.0
460.27927	1.5
477.28534	95.8
478.28751	1.7
491.30106	13.4
501.28571	5.0
509.31155	6.3
513.28571	1.7
519.29688	0.8
531.29523	1.6
541.33856	0.7
543.29785	1.8
549.28174	0.4
555.29553	1.4
567.29626	5.3
573.30847	0.5
585.30481	2.2
603.31860	1.5
621.32355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.7
67.05507	49.1
69.03427	4.0
69.07071	12.8
71.01340	1.6
71.04982	2.8
71.08634	20.7
71.53408	1.0
71.53773	1.2
73.02902	2.9
79.05495	17.7
81.03414	6.8
81.07058	27.6
83.04984	4.3
83.08618	18.1
83.95766	1.0
85.02909	18.8
85.06541	2.5
85.10189	13.9
87.04482	5.5
89.06010	1.7
91.03949	5.8
91.05481	10.3
93.07048	12.2
94.35835	1.0
95.04967	3.0
95.08611	27.0
97.02901	8.3
97.06516	1.8
97.10170	19.5
99.04458	2.1
99.11706	1.0
100.58724	0.9
103.03922	1.8
105.07050	4.8
107.04964	3.6
107.08603	12.7
109.02866	2.0
109.06540	1.0
109.10164	39.8
111.04423	1.8
111.08069	1.6
117.07032	3.1
117.09180	1.4
119.08600	5.6
121.06499	1.1
121.10159	5.9
122.61970	0.9
123.08083	1.9
123.11716	3.6
125.09634	16.3
127.03924	3.0
129.06952	1.3
131.08575	3.9
133.10129	3.5
135.11710	3.1
137.09628	1.6
143.10692	3.2
145.04947	2.3
145.10120	4.7
149.09634	1.6
152.16754	0.9
153.12743	1.7
155.10652	2.7
157.10103	1.2
163.06007	2.2
163.11221	4.0
173.09563	1.0
173.11739	7.5
173.13062	1.4
181.12300	1.3
191.10693	3.1
193.12126	1.1
199.13290	12.6
209.11717	8.7
217.14455	1.3
223.13361	2.4
227.12790	10.6
229.14366	45.9
239.23720	4.3
257.14075	1.4
257.24765	2.1
265.14340	1.2
267.15955	1.7
269.17560	1.8
283.15460	8.5
297.16989	3.3
301.12952	1.2
301.16476	38.4
313.27374	100.0
314.27646	1.4
319.17383	1.4
335.25757	5.6
341.26953	1.5
437.36295	6.3
455.37305	15.7
463.21967	1.2
467.37347	25.5
489.35516	2.8
499.25781	1.0
505.38599	2.0
521.38605	5.3
539.39441	24.0
557.39569	9.5
691.12274	1.2
701.44525	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.527
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	2.4
67.05508	44.6
69.03423	2.1
69.07073	10.5
69.85535	2.1
69.85931	3.5
71.05001	2.9
73.02922	1.4
77.03899	1.1
78.80799	1.2
79.05499	66.9
81.03430	8.3
81.07063	42.2
83.04573	1.5
83.04995	8.9
83.08611	7.5
85.02909	5.1
85.06537	3.0
91.03941	2.9
91.05486	58.9
93.07050	60.3
95.04967	15.9
95.08607	28.1
95.17727	1.3
97.02901	3.6
97.06538	4.8
97.10155	3.6
99.08068	2.2
103.05464	1.4
105.04516	2.9
105.07038	58.6
107.04950	5.4
107.08601	25.1
109.06521	4.8
109.10157	9.1
111.08108	1.5
113.09676	1.3
115.05455	1.3
117.07026	14.2
119.08589	46.2
120.49146	1.4
121.06527	3.0
121.10144	13.4
123.08062	5.0
123.11698	3.0
127.03916	2.2
128.06226	3.4
129.07013	15.7
130.07808	1.5
131.08585	13.9
133.06451	1.5
133.10146	28.0
135.08080	1.5
135.11678	10.4
137.09653	1.4
139.03911	1.3
143.08549	13.7
145.06465	1.6
145.10130	20.3
147.11688	43.3
147.12804	2.3
149.13277	6.1
155.08545	2.7
156.09291	1.7
157.10143	8.5
159.11685	14.8
161.09644	2.8
161.13260	23.8
163.11244	2.4
163.14812	2.9
169.10083	3.1
171.11703	22.7
173.13286	8.2
175.11240	1.1
175.14867	10.2
177.12828	1.8
180.25536	1.1
181.10040	1.8
183.11728	3.3
185.11876	1.5
185.13196	7.3
187.14845	2.0
189.12766	5.1
197.13307	1.5
199.14844	3.6
207.13834	16.1
209.13210	1.3
213.16432	1.7
231.21083	4.0
241.14429	1.4
241.19569	20.2
243.21228	1.5
257.19037	2.9
259.20581	50.7
261.22168	3.0
267.16019	2.4
279.15939	16.3
281.17490	59.3
283.18860	1.5
315.23267	3.2
331.22702	1.7
333.24249	36.0
429.31479	2.6
447.32404	6.0
463.73053	1.3
465.33942	5.7
483.34738	3.0
499.51022	1.5
503.34894	1.9
515.31268	1.2
521.36450	5.7
539.37354	100.0
557.38458	34.8
647.39337	1.9
812.29791	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.5282
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	1.9
69.03432	2.9
70.18896	2.6
71.08640	0.9
73.02916	2.7
74.52271	0.6
79.05492	1.4
81.03429	2.6
81.07063	2.4
83.04985	1.1
83.08627	1.2
85.02904	5.5
86.20499	0.6
91.03938	3.0
91.05482	1.0
93.07041	0.8
95.04972	0.8
95.08620	1.6
97.02885	4.6
97.10168	0.6
98.20811	0.6
99.04469	1.1
101.02383	1.7
105.07030	1.3
109.02887	0.8
119.08589	1.1
121.10136	0.9
127.03967	2.0
129.07057	0.8
133.10138	0.7
147.95624	0.6
153.20950	0.6
185.04243	0.7
193.12317	1.8
203.05325	0.7
243.08496	1.6
251.12758	0.7
341.30627	1.3
347.09314	3.6
350.80353	0.7
365.10587	1.3
372.88809	0.8
405.13641	5.8
469.20450	8.6
474.72815	0.6
525.33813	4.2
583.85779	0.7
631.25787	7.3
687.38983	4.2
753.47845	2.1
779.28900	0.7
856.94391	0.7
915.52856	100.0
916.53308	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	915.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.4
67.01903	0.9
67.05518	1.0
68.99787	8.7
69.84100	1.5
69.84487	3.5
75.13254	0.9
77.03944	1.1
81.03426	3.8
83.04982	1.3
83.24020	0.7
95.04980	2.0
96.91753	0.8
98.21475	1.7
99.04476	0.7
105.03406	1.4
107.04958	1.2
109.02884	6.8
111.00812	12.4
111.04446	2.5
117.03413	0.8
119.04928	1.2
121.02884	1.6
123.04439	17.0
127.03920	79.9
131.04903	1.3
133.02853	3.5
135.04399	3.2
137.64470	0.9
139.03908	100.0
147.04416	7.9
149.02318	3.2
150.03134	1.2
151.03911	46.3
153.01796	3.2
153.05473	1.9
155.03375	6.4
157.02887	0.9
157.06447	1.2
159.04407	3.0
161.02251	1.0
161.05939	2.7
163.03925	15.5
165.05469	2.0
167.03430	3.2
169.04990	3.4
171.04420	2.9
173.05978	1.3
175.03905	12.9
175.07362	0.9
177.05479	10.5
179.03403	58.7
181.04955	2.7
185.05980	1.7
187.03868	1.5
189.05482	5.3
191.03438	8.9
193.04980	2.9
197.06015	0.9
199.03928	5.4
201.05463	3.5
203.03407	23.7
205.04988	2.4
211.03998	0.9
213.05453	6.6
215.03377	2.8
217.05019	6.8
219.06493	2.0
223.02289	1.8
225.05484	1.6
227.03401	1.2
229.04977	7.5
231.02792	1.1
231.06602	3.4
233.04538	4.2
237.05547	0.8
241.04903	3.9
243.06520	1.3
245.04469	76.5
246.04848	1.0
247.06056	2.3
249.85811	1.0
251.05443	1.3
253.04878	1.6
255.03014	1.0
257.04462	15.6
258.05380	1.4
259.06036	4.3
261.03955	1.4
263.05499	43.3
268.77124	0.8
269.04401	6.7
271.03336	0.8
271.06039	3.6
273.03754	1.2
275.05484	21.7
277.07104	2.3
281.04532	2.0
283.05927	2.2
285.03873	1.9
287.05515	55.6
288.05972	1.2
289.06918	2.3
289.62292	1.1
293.04343	1.4
295.05960	2.1
297.03970	1.6
299.02390	1.6
299.05481	18.5
301.07031	1.6
305.06589	25.5
307.08176	14.5
309.03986	1.5
311.05426	1.7
315.04947	2.2
317.06546	15.9
319.05597	0.9
321.07602	1.6
323.05597	1.5
331.05969	1.3
339.05148	1.4
347.07727	1.4
349.07538	1.2
351.05130	1.8
367.07599	0.8
381.06317	1.2
393.05945	3.2
395.07614	1.8
399.07074	1.0
401.06274	1.2
405.06152	7.0
407.07535	2.6
413.08685	6.4
417.06134	1.7
423.07144	17.6
425.08682	16.7
431.09494	0.9
435.07141	5.7
437.08395	1.1
441.08203	11.6
443.09793	18.9
447.07297	1.0
453.08325	4.8
465.08069	4.9
467.09613	3.2
483.09143	1.5
485.10410	2.3
543.09015	1.5
549.10315	2.0
561.09845	2.6
567.10809	2.3
573.10114	2.8
591.11353	1.9
603.10797	2.4
609.12531	1.0
611.13580	2.4
716.35614	0.9
729.13184	1.7
747.14923	2.2
834.38501	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.6
67.05500	1.0
68.99796	9.4
70.68713	1.5
79.58761	0.6
81.03416	4.4
83.04987	1.1
85.02960	0.6
95.04976	2.4
97.02929	0.7
99.04414	0.9
105.03391	1.5
107.05011	1.4
109.02882	8.2
111.00822	10.8
111.04430	1.4
119.05013	1.3
121.02868	2.5
123.04443	17.7
127.03933	76.6
131.04904	1.0
133.02863	5.7
135.04434	2.3
137.02403	0.9
137.05910	0.7
139.03918	100.0
140.04195	0.7
143.04903	0.7
147.04437	9.8
149.02376	4.8
149.04877	0.6
150.03113	0.7
151.03922	59.0
153.01833	3.0
153.05443	1.7
155.03416	13.9
157.06541	1.4
159.04439	1.7
161.02322	0.8
161.05981	2.4
163.03917	12.2
164.04530	0.6
165.05553	3.0
167.03482	3.7
167.04712	0.7
169.04973	1.7
169.06442	0.7
171.04427	2.5
173.02388	0.9
173.05994	1.3
175.03920	12.4
177.01839	0.8
177.05490	7.9
179.03418	54.7
181.04924	3.5
183.04430	1.6
184.80066	0.6
185.06006	2.2
187.03932	1.6
189.01868	0.8
189.05464	5.3
191.03419	9.5
193.04932	4.1
197.05994	1.7
199.03929	6.0
201.05522	4.4
203.03406	21.6
205.01447	0.6
205.04968	3.0
211.03870	0.8
213.05540	7.8
215.03459	2.2
217.05051	7.1
219.02832	0.7
219.06509	1.5
221.04475	1.6
223.02324	3.3
225.05362	1.1
227.03384	1.8
229.05005	8.0
231.03003	0.6
231.06511	4.4
233.04375	5.5
241.04985	5.4
243.06506	1.2
245.04485	70.9
246.04697	0.8
247.02400	0.9
247.05910	2.1
251.05513	1.4
253.04947	1.0
256.24857	0.6
257.04483	22.7
258.05179	1.4
259.06003	5.4
263.05539	42.0
269.04489	5.7
270.05185	0.7
271.06070	3.8
273.03937	1.1
275.05527	21.1
277.07169	6.5
281.04346	2.1
282.04773	0.6
283.05975	1.8
285.03888	1.8
287.05530	60.5
288.05743	1.2
289.07007	2.4
293.04236	1.0
295.06006	1.8
297.04138	2.8
299.05548	17.0
301.06946	0.7
305.06595	35.7
307.08170	13.7
309.03940	1.4
311.05334	2.2
312.67810	0.6
313.07022	1.1
315.04953	1.0
317.06601	19.7
319.08203	0.8
321.03946	1.2
321.07471	1.3
323.05319	0.8
327.05005	0.8
329.06680	2.7
331.05597	0.6
335.05478	0.7
339.04941	1.2
341.06238	0.7
347.07663	1.0
349.06906	1.4
351.04871	2.6
375.05515	0.6
377.06366	1.4
381.05838	1.3
393.06158	4.8
395.07370	2.2
399.06976	1.9
401.06775	0.7
405.02094	0.6
405.06061	6.9
407.07294	1.6
411.07230	1.4
413.08823	4.3
417.05948	1.6
423.07162	16.8
425.03357	1.0
425.08694	17.6
435.07224	3.6
437.08505	2.5
441.08218	13.5
443.09781	38.3
447.06900	1.2
449.08118	1.1
453.08469	3.0
455.09695	1.4
465.08170	5.5
467.09897	3.0
483.09628	2.8
485.10318	2.0
543.09247	1.5
549.10059	1.4
561.10205	4.3
567.11597	4.0
573.09717	2.0
591.10986	1.6
593.12244	1.2
603.10626	1.5
609.11462	2.0
611.13989	4.6
621.11938	0.8
711.12933	1.1
729.13324	2.3
747.15765	3.9
913.93219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03956	0.7
66.92947	0.2
67.05508	10.1
68.96118	0.2
69.03438	1.6
69.06729	0.4
69.07077	5.2
71.01363	0.3
71.04989	1.0
71.08636	17.6
71.12788	0.5
71.13121	0.3
73.02926	1.3
75.04463	0.2
79.05065	0.5
79.05501	6.3
81.03423	47.1
81.07061	13.4
83.04990	2.5
83.08627	16.1
83.09044	0.2
85.02434	0.3
85.02910	4.5
85.06543	0.6
85.10188	9.7
87.04468	0.3
89.06025	0.9
91.03957	2.6
91.05483	7.7
93.07054	4.4
95.04977	14.9
95.08612	13.7
96.13794	0.2
97.02898	3.8
97.06536	1.3
97.10175	4.2
99.04462	0.4
99.08106	0.4
99.11745	1.0
101.06034	0.3
103.07608	1.3
105.07040	6.7
107.04968	3.6
107.08601	2.6
109.02876	0.4
109.06514	1.7
109.10160	5.9
111.04436	1.3
111.08086	3.9
111.11725	0.7
113.13331	0.3
115.05495	0.7
115.64931	0.2
117.07029	0.7
119.04955	0.6
119.08594	6.8
121.06493	1.5
121.10148	3.5
123.04408	1.7
123.08077	0.6
123.11716	2.9
125.09649	0.7
125.13230	0.5
127.03938	1.5
129.07021	4.8
131.08582	4.5
131.15419	0.3
133.06497	1.5
133.10129	2.5
135.08011	0.4
135.11671	0.3
137.06006	0.3
137.09636	0.6
137.13268	0.9
142.07770	1.2
145.05016	1.3
145.10149	0.9
147.04396	0.8
147.08063	1.6
147.11693	4.6
149.09677	2.8
157.10139	6.5
163.06012	2.7
163.11179	1.3
165.12796	1.4
171.11653	0.3
173.09589	0.3
175.11200	6.4
185.13339	0.3
189.12788	0.3
193.12254	21.7
201.18610	0.3
205.12239	0.4
207.13785	0.5
211.11452	0.3
211.13167	1.2
217.12245	0.4
221.22771	0.4
223.13150	0.5
231.13742	0.5
235.13361	1.0
237.15007	0.5
239.23740	2.0
249.14876	1.1
252.24629	0.2
257.24820	2.8
259.13400	1.3
262.16373	0.3
267.15927	100.0
268.16382	0.7
273.14850	1.0
283.13309	0.3
283.41791	0.3
301.14410	1.4
309.16937	2.7
313.27380	97.7
314.27759	0.8
319.15375	0.8
333.17075	0.7
337.16666	0.3
351.18326	0.4
375.17722	0.6
393.19034	0.5
505.38919	82.2
506.39313	1.7
523.40015	3.3
547.31573	0.4
547.39990	6.1
565.40881	0.8
589.40942	0.8
601.40955	2.4
613.41138	1.6
631.42145	2.5
649.43372	1.6
914.51288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	0.6
67.05509	11.8
69.03439	1.6
69.07072	6.5
71.04990	1.1
71.08635	20.7
73.02927	2.0
79.05067	0.5
79.05499	7.3
81.03422	59.0
81.07060	14.9
83.04981	3.3
83.08623	17.7
83.09348	0.3
85.02904	4.8
85.06552	0.8
85.10186	12.6
89.06022	1.4
91.03963	3.8
91.04906	0.5
91.05485	10.1
93.07052	5.2
95.04973	17.4
95.08612	16.0
97.02898	3.7
97.06549	0.9
97.10172	4.9
99.04451	0.7
99.08115	0.9
99.11726	0.8
103.07574	1.0
105.07040	7.1
107.04974	3.8
107.08604	2.6
109.02883	0.6
109.06518	2.1
109.10160	7.8
111.04464	1.1
111.08085	5.3
111.11735	0.6
113.06053	0.3
115.05463	0.9
117.07050	0.7
119.04931	0.6
119.08591	8.7
121.06528	2.0
121.10144	3.6
123.04457	1.9
123.08070	0.9
123.11716	3.4
125.09653	0.6
125.13248	0.3
127.03918	1.2
128.06291	0.3
129.07007	6.0
131.04970	0.3
131.08577	5.9
131.10712	0.3
133.06496	2.0
133.10127	2.9
135.08043	0.6
135.11705	1.0
137.06036	0.5
137.09615	1.2
137.13274	1.2
142.07788	1.7
145.04979	1.7
145.10127	1.4
146.10927	0.2
147.04417	0.6
147.08066	1.8
147.11691	5.4
149.09634	3.5
151.14836	0.4
155.90588	0.3
157.10130	7.8
163.06036	2.6
163.11151	1.5
165.12749	1.0
173.09666	0.5
175.11192	6.5
193.12256	23.2
205.12291	0.5
211.13300	2.0
213.12744	0.4
221.15550	0.3
223.13374	0.3
235.13281	1.8
237.14719	0.4
239.23705	2.5
249.14922	1.8
253.78482	0.3
257.24799	2.2
259.13290	1.9
264.36407	0.3
267.15927	100.0
268.16330	0.9
273.14972	0.8
298.27145	0.4
299.18890	0.3
300.12839	0.3
301.14404	1.9
309.16962	3.3
313.27374	95.7
314.27713	0.9
319.15414	0.8
333.31979	0.3
345.52734	0.3
355.37799	0.3
375.17831	0.7
382.51974	0.3
431.35562	0.4
505.38913	84.8
506.39273	1.7
521.99731	0.3
523.39917	3.3
547.39899	5.8
565.40948	1.2
589.40985	0.9
601.41003	3.6
613.41174	2.0
631.42194	2.6
649.42755	1.6
667.44293	0.5
946.48682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5733
Annotation	Unknow
Peak:m/z	Relative Intensity
64.18993	0.2
65.03938	1.0
67.05506	16.4
69.03436	2.9
69.07066	8.0
69.16357	2.8
71.01346	0.4
71.04995	2.9
71.08634	17.7
72.49057	0.3
73.02923	3.2
79.05496	13.2
81.03418	39.5
81.07056	22.7
81.07437	0.3
83.04983	9.6
83.08619	19.5
85.02906	22.5
85.06531	1.4
85.10181	11.1
87.04466	0.5
89.06034	0.9
91.03954	6.5
91.05479	17.4
93.07043	9.3
95.04968	16.9
95.08608	17.9
96.04477	0.3
97.02889	6.7
97.03507	0.3
97.06528	2.1
97.10167	7.3
99.04454	1.0
99.08055	0.7
99.11745	0.5
103.03876	0.3
103.07579	0.8
105.07029	12.9
107.04962	4.0
107.08593	3.6
109.02907	0.5
109.06503	2.9
109.10156	7.8
111.04443	1.9
111.08085	6.8
111.11712	2.0
113.05990	1.6
113.13264	0.5
115.03917	0.7
115.05452	1.1
117.07037	0.9
117.09132	0.3
119.04944	0.6
119.08576	11.3
121.06503	0.8
121.10145	5.9
123.08057	1.2
123.11691	3.2
125.09622	1.1
127.03886	1.8
127.07542	0.6
128.06212	0.5
129.07002	7.0
131.08568	7.2
133.06473	1.7
133.10139	7.4
135.11743	0.8
137.09631	1.1
137.13266	0.8
142.07823	1.5
145.04967	2.2
145.10147	1.3
147.08040	1.9
147.11685	10.4
149.09612	3.7
151.11145	0.5
157.10130	9.6
163.06038	2.3
163.11127	0.3
165.12733	1.6
165.16711	0.3
175.11185	11.0
193.12247	30.1
211.13290	40.3
212.13734	0.5
219.29912	0.3
249.14940	0.3
267.15921	17.8
267.26981	0.7
285.16962	58.6
285.27835	1.2
286.17221	0.5
337.16293	0.4
341.30505	60.1
342.30759	0.5
429.21265	0.4
523.39423	0.3
533.42023	14.0
534.41913	0.3
551.43079	100.0
552.43103	2.3
554.98047	0.3
695.47742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.4
69.03439	2.6
69.07066	0.7
71.01357	0.5
71.04993	0.4
71.53420	0.4
73.02925	2.5
77.74272	0.2
79.05496	2.0
81.03417	2.5
81.07052	2.4
83.04977	0.5
83.08602	0.4
85.02911	5.5
87.04479	0.4
91.03960	3.4
91.05482	2.1
93.07036	1.8
95.04983	0.8
95.08619	1.3
97.02900	4.8
97.06567	0.2
99.04465	0.5
103.03957	0.3
105.07041	1.0
107.08592	0.7
109.02903	0.8
109.10166	0.6
115.03936	0.3
117.07025	0.3
119.08583	1.1
121.10165	0.7
123.11716	0.4
127.03922	1.3
131.08589	0.5
133.10162	0.9
135.11673	0.3
145.05023	0.4
145.10162	0.3
147.11726	0.8
157.10257	0.2
165.12778	0.2
175.11201	0.3
185.04253	1.0
191.24872	0.2
193.12260	1.1
197.23790	0.2
201.03712	0.2
201.14261	0.2
203.05322	0.5
211.13321	0.3
243.08392	1.7
251.12701	0.8
254.36818	0.3
285.17044	0.4
286.17368	0.3
307.15359	0.8
335.25815	0.6
347.09586	1.9
352.23776	0.2
363.09052	0.3
365.10669	0.6
405.13684	4.7
405.18619	0.4
469.20493	6.7
519.29279	3.5
534.20563	0.2
547.39404	0.4
548.39496	0.4
549.39844	0.3
631.25775	6.6
681.34576	3.3
681.87976	0.3
739.36743	0.3
747.43085	1.8
909.48193	100.0
910.48590	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	909.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.2
67.05502	2.6
69.03425	3.4
69.07063	0.7
71.01350	0.6
71.04977	0.3
73.02921	4.2
73.03321	0.4
79.05502	2.5
81.03424	2.3
81.07047	3.0
83.04992	0.4
83.08619	0.6
85.02905	6.2
87.04483	0.3
87.18071	0.2
91.03958	4.0
91.05469	1.7
92.79102	0.2
93.07050	2.2
95.04989	0.7
95.08600	2.0
97.02890	5.7
99.04465	0.8
102.45532	0.2
103.03930	0.4
105.07018	1.0
107.05022	0.2
107.08625	0.9
109.02901	0.8
109.10180	0.9
111.08145	0.3
115.03979	0.5
119.08591	1.0
121.10117	1.0
123.11741	0.2
127.03916	1.8
129.07031	0.2
131.08604	0.8
133.10175	0.7
135.11728	0.7
137.13210	0.2
145.04971	0.4
145.10132	0.4
147.11717	0.5
149.13298	0.4
157.10156	0.3
184.24702	0.2
185.04262	0.9
193.12320	0.6
203.05363	0.5
211.13336	0.3
243.08307	1.7
251.12637	0.5
259.07986	0.2
261.22156	0.2
289.09341	0.2
307.15247	0.4
335.25961	0.8
347.09454	2.5
363.09116	0.4
365.10788	0.8
390.64496	0.3
405.13647	4.6
405.18469	0.3
469.20465	4.0
519.29248	5.8
548.39655	0.3
631.25800	3.3
681.34534	5.8
747.42834	1.4
757.31976	0.2
909.48151	100.0
910.48358	2.4
927.52533	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	904.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91628	1.0
65.03960	2.9
67.05508	72.2
69.03420	3.2
69.07077	24.7
71.04985	4.2
71.52997	2.1
73.02917	4.6
79.05021	1.5
79.05494	56.4
81.03418	12.4
81.07060	88.2
82.06583	1.4
83.04974	8.6
83.08627	17.6
85.02905	12.9
85.06545	5.3
91.03966	5.5
91.05483	58.9
93.07049	75.9
95.04959	8.9
95.08607	38.9
97.02892	8.8
97.06535	10.6
97.10170	5.1
99.08098	3.4
103.03956	1.3
105.04531	1.6
105.07035	54.2
107.04969	2.4
107.08591	46.6
109.06547	6.2
109.10159	14.1
111.08065	6.3
115.05469	2.1
116.06133	1.3
117.07021	20.6
119.08582	38.2
121.06519	2.8
121.10149	28.3
123.08102	2.9
123.11717	7.3
125.09676	2.6
127.03879	3.3
129.07011	8.4
131.08571	25.7
133.10132	45.5
135.08080	3.8
135.11693	24.0
137.09615	1.5
142.07738	1.9
143.08600	8.6
145.05002	2.7
145.10107	15.8
147.11688	31.3
149.09628	4.5
149.13269	23.1
151.11183	2.3
153.09039	1.3
155.08556	2.9
157.10136	9.4
159.08089	1.9
159.11705	22.2
161.09654	2.0
161.13254	21.0
163.06038	3.8
163.11203	4.8
163.14848	3.3
165.12766	1.8
169.10155	2.5
171.11682	10.9
173.13275	10.0
175.11249	2.7
175.14832	7.3
177.12775	5.2
183.11693	2.0
185.13258	8.2
187.14821	3.2
189.12764	1.3
193.12282	2.9
195.11884	1.9
195.13808	18.3
197.13235	2.1
199.14883	5.5
201.16359	1.6
203.14267	1.2
211.14883	1.6
212.70747	1.1
213.14838	3.9
213.16545	1.9
221.15411	1.6
231.17369	2.5
231.21118	3.7
241.19545	19.7
243.21207	1.3
259.20587	62.7
261.22092	3.3
267.15918	17.5
269.17493	82.7
277.21674	2.1
285.17020	3.6
301.21597	1.3
315.23187	4.3
333.24258	74.3
335.25900	9.7
367.22629	1.6
376.15869	1.2
385.23660	1.1
398.86032	1.3
435.32678	8.1
453.33551	5.4
471.34796	2.5
501.36166	2.3
509.36392	5.7
517.38721	1.8
527.37354	100.0
528.37482	2.7
545.38416	45.5
546.38007	1.6
561.36700	1.4
623.39337	1.4
635.39124	3.6
653.40332	5.1
671.41522	9.0
689.41992	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	0.7
67.05505	15.8
69.03436	2.7
69.07069	15.6
69.07372	0.4
69.31722	4.1
71.05013	2.5
71.08630	1.8
73.02910	2.0
77.03938	0.7
79.05497	12.6
81.03419	28.1
81.07057	21.2
83.04986	6.5
83.08622	19.4
85.02906	16.6
85.06551	1.3
85.10178	1.7
91.03972	4.9
91.05480	16.3
93.07047	11.3
95.04967	12.6
95.08611	14.2
97.02886	5.4
97.06527	2.8
97.10172	8.0
99.04466	0.6
99.08084	1.1
105.07039	8.4
107.04977	3.2
107.08600	6.1
109.06504	2.3
109.10158	5.5
111.04449	1.5
111.08086	5.2
111.11715	2.0
113.05985	0.6
115.05491	0.5
117.07054	0.9
119.08591	8.8
121.06509	0.7
121.10151	7.5
123.08071	1.1
123.11697	2.2
125.09660	1.0
127.03904	1.4
129.07007	5.7
131.08580	7.0
133.06497	1.4
133.10139	6.5
135.11685	4.0
137.09631	0.8
137.13260	0.6
139.11218	0.8
145.04980	2.1
145.10165	1.2
147.08072	1.8
147.11700	7.9
149.09663	2.6
149.13272	1.5
157.10129	7.6
163.06003	2.6
163.14899	0.7
165.12793	1.8
175.11197	8.0
193.12250	22.1
196.96010	0.5
211.13292	38.0
232.45465	0.7
232.56198	0.5
247.24348	0.7
265.25330	1.0
267.15918	13.5
285.16968	51.9
339.28937	50.7
340.29178	0.8
441.14569	0.5
531.40436	13.2
549.41516	100.0
550.41956	2.0
558.66907	0.6
738.35858	1.1
780.55182	0.6
908.47168	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.4
67.05505	59.8
69.03416	2.6
69.06725	2.2
69.07066	23.8
69.87070	3.8
69.87477	2.9
71.04974	4.0
73.02908	3.2
79.05495	48.9
81.03415	7.2
81.07056	72.2
82.07373	1.3
83.04967	8.8
83.08624	15.4
85.02898	10.7
85.06534	3.5
86.69554	1.4
91.03936	5.7
91.05477	55.8
93.07043	69.6
95.04977	6.8
95.08607	34.5
97.02872	5.3
97.06541	9.8
97.10149	4.0
99.08102	3.9
105.04522	1.6
105.07027	46.8
107.04942	2.8
107.08593	39.8
109.06480	3.5
109.10143	10.7
111.08051	5.6
113.09608	1.4
115.05467	1.9
117.07022	18.4
119.07706	2.7
119.08574	42.3
121.06464	2.7
121.10141	28.3
123.08048	2.3
123.11677	4.3
125.09603	2.2
127.03938	2.3
128.06146	1.9
129.06978	7.5
131.08566	25.1
133.10127	36.9
135.08044	2.9
135.11684	15.4
143.08560	8.2
145.04887	2.4
145.10136	16.2
147.11679	31.4
149.09576	2.5
149.13261	30.3
151.11194	1.3
157.10158	10.0
159.10454	2.1
159.11691	25.7
161.11995	1.9
161.13261	26.9
163.05971	1.8
163.11194	2.5
163.14799	3.8
165.12724	1.8
168.45677	1.4
169.10132	2.7
171.11703	10.6
173.13246	8.2
175.11179	2.0
175.14828	9.7
177.12723	5.0
178.55724	1.4
183.11624	1.9
185.11852	1.4
185.13268	8.7
187.14758	2.5
189.12735	1.2
189.16383	1.9
193.12221	2.1
195.12115	2.0
195.13768	8.3
197.13222	2.3
198.34624	1.2
199.14813	3.4
201.12602	1.3
202.99498	1.1
204.41751	1.2
212.38358	1.2
213.16498	1.6
227.12691	1.4
231.17390	1.4
231.21016	6.6
231.61436	1.2
241.19519	25.6
257.18994	2.4
259.20584	77.2
261.22076	2.9
267.15921	19.4
269.17484	91.7
275.20184	2.0
315.23114	5.3
333.24246	56.8
333.28284	2.8
335.25793	4.2
417.31531	2.0
435.32410	4.9
453.33499	5.3
471.34769	2.0
509.36261	4.4
515.37457	1.7
517.38440	3.6
527.37347	100.0
528.38116	1.9
545.38336	37.7
624.82263	1.3
635.39258	4.5
671.41333	3.0
689.42206	3.3
770.62659	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	1.8
67.05508	41.4
69.03425	4.6
69.07071	10.7
70.09183	0.9
70.81477	0.3
71.01348	0.3
71.05000	4.2
73.02917	3.5
77.03905	0.8
79.05496	33.2
81.03422	46.0
81.07060	43.3
83.04498	0.6
83.04986	11.0
83.08620	19.4
85.02908	27.9
85.06538	2.0
87.04465	0.8
91.03966	7.0
91.05486	31.7
93.07048	31.7
95.04974	19.8
95.08611	27.9
96.04462	0.5
97.02895	8.5
97.06530	4.5
97.10155	4.1
99.04439	0.8
99.08073	1.3
101.02341	0.5
103.05495	0.6
105.04496	1.2
105.07036	21.0
107.04969	5.5
107.08599	18.0
109.02897	0.6
109.06521	4.1
109.10169	11.5
111.04475	1.7
111.08085	7.9
113.06017	2.1
114.99609	0.4
115.03903	0.5
115.05444	1.2
116.06232	0.4
117.07019	4.5
119.08588	20.3
121.06489	1.4
121.10147	15.8
123.08091	2.5
123.11719	4.4
125.09650	1.7
127.03937	2.1
127.07565	0.6
129.07014	8.8
131.08574	12.9
133.06514	2.3
133.10135	13.4
135.08041	0.4
135.10687	0.5
135.11697	7.1
137.09654	1.9
137.13243	1.3
139.11208	0.4
141.07014	0.6
142.07787	2.0
143.08580	0.9
145.04970	2.7
145.10143	5.9
147.08101	2.0
147.11691	12.9
149.09624	5.3
149.13280	3.3
151.11189	0.7
157.10149	10.5
159.11697	3.4
161.13289	1.9
163.06032	3.7
163.11159	1.2
163.14825	1.7
165.12781	2.6
169.10179	0.4
171.11740	0.7
173.13249	3.1
175.11192	11.0
175.14806	1.1
181.10098	0.6
185.13229	0.8
187.14876	1.5
189.11169	0.5
191.10550	0.4
193.12253	34.7
199.14873	0.6
201.16463	0.4
211.13301	55.8
227.12790	1.2
229.14417	0.6
240.98267	0.4
243.21040	2.6
249.14796	0.5
259.20651	0.6
261.22162	9.0
267.15915	13.2
269.17529	0.5
279.23239	0.8
283.15317	0.8
285.16974	70.1
301.25266	1.2
306.95258	0.4
313.54922	0.4
317.24887	2.0
333.24072	0.6
335.25815	62.2
336.26297	0.9
359.25809	0.4
397.09479	0.4
417.31528	0.5
435.32541	2.5
453.33640	2.3
471.34833	1.0
509.36295	0.9
527.37372	14.3
545.38397	100.0
546.30890	0.5
546.38257	2.0
563.39453	1.4
650.62921	0.5
689.42365	0.6
828.75861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	1.4
67.05508	34.1
69.03439	3.3
69.07071	8.6
69.15858	1.9
69.16285	1.1
70.95512	0.2
71.04995	2.8
71.08620	0.4
73.02922	2.8
76.63464	0.3
77.03925	0.5
79.05495	28.8
81.03421	32.2
81.07059	36.8
83.04985	7.1
83.08620	14.0
85.02909	19.8
85.06550	1.5
87.04472	0.4
91.03957	4.9
91.05483	23.3
93.07046	29.7
95.04971	14.5
95.08609	22.4
96.04464	0.4
97.02892	6.3
97.06531	3.3
97.10168	2.5
99.04475	0.7
99.08099	1.0
105.04531	0.8
105.07033	17.6
107.04963	3.8
107.08595	14.0
109.02863	0.4
109.06524	2.5
109.10165	9.3
111.04473	1.4
111.08087	5.7
113.06009	1.2
115.03970	0.4
115.05451	0.7
117.05440	0.3
117.07009	3.7
119.08585	15.1
121.06521	1.1
121.10149	14.9
123.08076	2.3
123.11713	3.3
125.09643	1.2
127.03958	1.6
127.07545	0.3
128.06181	0.4
129.07013	5.9
131.08572	10.3
133.06514	1.6
133.10143	9.4
135.08057	0.6
135.11702	6.2
137.09631	1.5
137.13263	0.8
139.11166	0.5
142.07811	1.2
143.08568	0.7
145.04994	1.9
145.10126	4.4
147.08061	1.6
147.11696	10.6
149.09637	4.2
149.13281	3.0
151.11182	0.4
155.08586	0.5
157.10133	8.0
159.11681	3.1
161.13269	1.9
163.06024	2.4
163.11185	1.2
163.14816	1.3
165.12738	2.2
171.11749	0.4
173.13251	2.5
174.07343	0.3
175.11192	7.8
175.14883	0.7
177.16365	0.6
183.11720	0.4
185.13278	0.6
187.14838	1.3
189.16368	0.3
193.12248	23.0
194.68869	0.3
195.11923	0.4
197.13348	0.5
199.14801	0.5
201.16423	0.7
211.13295	30.6
212.13721	0.3
227.12827	0.9
229.14268	0.4
233.22749	0.5
243.21085	2.0
249.14795	0.5
261.22159	7.8
267.15936	9.3
279.23206	0.4
283.15555	0.3
285.16968	39.6
301.25165	0.6
308.62363	0.3
317.24698	1.5
333.24362	0.4
335.25809	62.1
336.26126	0.6
359.25653	0.4
380.94043	0.3
429.21655	0.3
435.32901	1.7
453.33771	1.6
471.34818	1.1
472.57120	0.3
509.36325	0.5
527.37366	14.6
545.38379	100.0
546.38770	1.7
563.39117	0.9
683.41479	0.3
689.42865	0.6
935.54608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	1.5
67.05504	21.0
69.03426	6.9
69.07063	5.8
69.23947	0.6
71.01345	0.7
71.04994	4.7
73.02914	0.7
79.05489	25.4
81.03415	73.1
81.07054	26.5
83.04980	16.7
83.08618	24.4
83.09120	1.1
85.02903	19.6
85.06519	2.1
91.05476	39.3
93.07040	19.7
95.04963	26.6
95.08598	9.3
97.02883	4.9
97.06519	4.8
97.10157	3.9
99.04446	1.9
99.08102	0.9
103.05437	0.7
105.04535	0.6
105.07027	26.1
106.00662	0.6
107.04955	9.6
107.08585	8.0
109.02889	6.0
109.06516	5.9
109.10138	2.2
111.04453	2.9
111.08077	10.2
113.05985	2.1
115.05426	1.5
117.06989	2.6
119.08582	18.2
121.06496	1.4
121.10133	8.5
123.04451	0.6
123.08070	2.9
123.11668	1.9
125.09640	1.6
127.03921	12.1
127.07549	0.6
129.06999	15.4
131.08557	15.1
133.06503	3.8
133.10126	18.8
135.11688	0.8
137.09607	1.6
142.07797	5.2
143.08496	0.7
145.04929	0.8
145.06503	0.7
145.10095	2.7
147.08057	4.9
147.11682	17.0
149.09602	7.8
151.11171	0.7
157.10123	18.9
161.09605	0.8
163.11137	2.6
165.12753	4.4
169.10152	0.6
175.11180	18.1
193.12238	53.4
194.12549	0.8
211.13283	100.0
212.13528	1.2
227.12567	0.8
229.14325	1.2
249.14914	1.2
253.14349	0.9
267.15903	27.3
273.14807	0.8
275.20325	0.7
276.20425	0.7
285.16953	60.6
286.17316	0.9
301.14264	1.6
308.09021	1.2
319.15402	1.4
337.16370	4.6
355.17471	10.3
367.22690	1.7
373.18491	1.2
385.23694	2.4
403.24393	0.9
433.25415	0.9
459.27380	17.4
477.28513	21.6
495.29520	52.8
496.29922	1.1
560.36890	0.9
611.11395	0.7
834.43542	0.7
841.96454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.9
67.05508	28.5
69.03408	1.8
69.07069	9.3
71.04956	2.0
71.53020	0.8
71.53432	1.0
73.02876	1.8
79.05494	24.2
79.43179	0.7
81.03381	3.0
81.07056	31.5
82.50570	0.7
83.04941	2.5
83.08623	7.3
85.02860	3.1
85.06503	1.1
88.38356	0.7
91.03919	1.9
91.05487	10.7
93.07047	34.3
95.04968	4.3
95.08611	40.5
97.02904	4.2
97.06503	3.0
97.10153	1.6
99.04411	1.9
103.05432	1.4
105.07027	8.4
107.04977	5.7
107.08600	24.1
109.06475	1.6
109.10165	10.5
109.70102	0.6
111.04371	1.1
111.08102	1.4
116.67878	0.7
117.07010	6.4
118.82184	0.7
119.08588	10.3
121.06509	3.6
121.09339	1.3
121.10148	15.5
123.08057	1.2
123.11695	1.6
125.05950	2.6
127.03863	0.9
127.07553	0.7
130.07741	0.9
131.08617	4.4
133.10147	5.9
135.08055	1.2
135.11699	38.9
137.09628	1.0
139.07481	1.1
143.08516	0.9
145.10129	21.0
147.11664	2.4
149.13225	2.9
157.10057	0.9
159.11649	1.6
161.13234	1.4
162.34499	0.8
163.06084	0.9
163.11186	52.0
163.14798	1.4
166.15440	0.7
173.13257	2.2
179.14279	0.6
181.12222	8.5
187.14909	0.8
193.12233	0.8
201.16498	0.9
209.11755	1.8
227.12790	59.0
243.20988	1.7
261.22171	7.4
267.15948	1.9
268.16364	1.1
283.15405	96.3
284.15720	1.1
313.27426	1.3
314.27783	1.7
315.28024	0.9
317.24799	1.4
335.25815	79.7
336.26035	2.0
505.39151	0.9
506.39230	0.8
507.39859	0.8
543.36853	100.0
544.37268	2.0
558.15692	0.7
561.37866	1.8
573.66748	0.9
689.23248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03906	1.4
67.05511	27.8
69.03409	1.0
69.07074	8.0
70.51389	1.1
71.04955	1.6
73.02885	1.4
79.05499	23.4
81.03428	2.0
81.07063	30.1
82.07391	0.5
83.04984	2.1
83.08626	6.1
85.02888	2.6
85.06501	0.6
85.10177	0.4
91.03922	1.7
91.05486	10.4
93.07050	33.4
95.04972	3.9
95.08613	34.7
97.02908	3.6
97.06512	2.5
97.10143	1.5
99.04419	1.7
99.08065	0.7
105.04502	0.6
105.06419	0.6
105.07037	8.1
107.04959	4.2
107.08602	23.5
109.06478	1.7
109.10155	9.4
111.04399	0.5
111.08084	0.9
115.05512	0.4
116.26753	0.4
117.06264	0.4
117.07018	6.5
119.08582	9.6
121.06515	3.5
121.10149	14.9
123.08034	1.1
123.11729	2.4
125.05942	1.6
127.03870	0.7
129.06952	0.6
130.07758	1.3
131.08572	4.0
133.09297	0.4
133.10150	4.3
135.08098	2.1
135.11700	30.7
137.09547	0.6
137.13239	0.5
139.07504	0.9
139.11172	0.5
140.09938	0.4
143.08485	0.5
145.04924	0.6
145.10141	18.3
147.11684	2.9
149.13252	2.5
153.12712	0.8
157.10126	0.7
159.11674	1.6
161.13196	1.2
163.05975	0.5
163.11192	32.8
163.14818	0.9
171.11653	0.5
173.09584	0.8
173.13281	2.2
175.14851	0.9
177.16318	0.5
181.12253	6.1
187.14754	0.5
209.11827	0.7
227.12796	40.6
229.14194	0.5
233.22560	0.4
237.18085	0.4
243.21097	1.7
261.22104	7.5
267.15869	1.3
281.27563	0.4
283.15414	51.4
313.27304	1.2
314.27820	0.8
317.24753	1.7
335.25815	90.8
336.26263	1.5
358.53125	0.5
506.39319	0.8
543.36853	100.0
544.36853	2.2
561.38043	0.8
593.52649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.8
67.05506	64.0
69.03423	18.7
69.06734	1.8
69.07069	17.9
69.21111	14.1
71.04996	11.1
73.02908	4.3
75.46018	1.6
79.05495	61.3
81.03422	100.0
81.07058	73.6
83.04982	28.9
83.08624	34.6
85.02906	35.6
85.06530	4.6
87.04476	2.2
91.03976	3.8
91.05483	65.0
93.07049	55.2
95.04971	29.5
95.08608	32.2
97.02883	21.0
97.06538	21.0
97.10172	14.6
98.20813	3.8
99.04445	3.6
99.08099	2.6
101.60283	1.7
103.05460	2.7
105.07036	59.0
107.04963	15.5
107.08601	40.1
109.02882	9.9
109.06535	12.2
109.10165	16.5
111.04444	8.0
111.08092	16.0
113.06010	2.6
115.05440	3.4
117.07032	17.7
119.04916	3.8
119.08583	44.6
121.06474	7.0
121.10151	29.2
123.08062	8.0
123.11724	6.7
125.09628	13.1
127.03905	8.5
127.07621	2.0
129.05486	4.4
129.07010	20.2
130.07831	1.6
131.08582	31.5
133.06458	6.9
133.10135	32.3
135.08035	7.9
135.11705	9.0
137.09615	5.6
139.11218	2.3
140.64114	1.5
141.06969	4.6
142.07791	3.8
143.08562	7.6
145.06464	2.8
145.10120	17.0
147.08051	5.7
147.11697	31.2
149.09630	18.0
149.13268	10.4
151.11148	2.0
152.99605	1.7
155.08635	2.9
157.10146	23.7
159.08041	3.3
159.11694	13.8
161.09651	4.8
161.13272	4.8
163.11172	8.3
163.14862	2.0
165.12724	3.9
165.75528	1.6
169.10080	5.0
171.11684	7.0
173.04497	13.9
173.09605	2.7
173.13287	5.2
175.03853	1.8
175.11200	15.8
177.12721	2.9
181.12210	2.0
183.11739	4.1
185.13297	2.3
187.11121	1.9
189.11243	5.2
193.12241	44.0
195.13794	2.8
197.13252	3.0
199.11299	2.2
201.12666	1.6
211.13295	49.7
217.15883	1.8
219.13843	1.6
227.12766	18.4
228.13052	1.7
229.14284	4.7
230.24742	2.1
239.18027	2.4
247.20659	2.1
249.14961	3.0
257.19058	8.7
267.15897	40.7
269.17429	12.3
273.15002	2.0
275.20059	35.9
277.14044	1.7
285.14066	3.2
285.16977	48.7
293.21167	4.2
299.19925	1.8
301.14395	4.7
331.22723	2.9
339.17883	2.8
349.23764	32.6
367.24994	3.7
377.19638	2.1
393.19055	2.4
401.23288	1.9
411.20230	2.2
413.22009	7.9
419.23956	2.2
429.21057	5.4
431.29352	2.5
435.27426	3.8
439.26990	4.9
443.28052	2.7
455.26471	5.2
461.29071	28.9
463.30624	3.2
479.30106	56.6
493.27542	2.3
523.33521	2.7
541.35284	30.1
559.36304	58.0
560.36761	2.9
569.31226	2.3
577.37347	18.8
583.36578	3.0
587.31866	6.1
601.37463	2.3
605.33380	10.0
623.34271	35.9
643.38037	2.0
667.38092	2.9
685.39252	7.2
703.40778	15.6
721.41858	8.3
855.18427	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	2.1
67.05508	55.1
67.80187	1.8
69.03426	18.6
69.07065	15.2
69.19855	17.4
71.04983	10.5
79.05074	3.5
79.05496	56.9
81.03417	100.0
81.06593	3.9
81.07056	77.7
83.04981	24.4
83.08620	27.3
85.02907	27.4
85.06551	5.3
91.03988	2.2
91.05482	58.5
93.07042	56.4
93.07632	2.8
95.04443	2.9
95.04978	29.5
95.08609	31.4
97.02881	13.3
97.06515	13.8
97.10156	8.0
98.20670	3.6
99.04453	7.6
99.08034	3.6
103.03937	2.3
105.04483	2.7
105.07030	47.8
105.51243	1.8
107.04959	17.3
107.08596	27.5
109.02866	7.6
109.06514	10.8
109.10134	17.0
111.04426	7.6
111.08072	17.3
113.05974	2.9
115.05461	4.0
117.06997	13.9
119.04904	1.9
119.08594	35.6
121.06484	7.8
121.10150	21.6
123.04411	3.3
123.08054	6.7
123.11725	6.4
125.09629	3.9
127.03906	8.4
128.06175	3.2
129.05479	4.5
129.07011	15.5
131.08578	24.9
133.06497	7.2
133.10132	29.0
135.08028	6.1
135.11664	7.3
137.09598	4.3
141.06999	3.1
142.07794	4.2
143.08534	5.8
145.04977	2.5
145.06474	2.6
145.10139	11.1
147.08063	8.7
147.11690	24.7
147.40250	1.8
149.09633	11.2
149.13260	14.8
151.11197	4.1
155.08517	5.3
157.10112	19.6
159.11700	13.4
161.09525	2.4
161.13234	2.6
163.11201	3.8
165.12747	6.6
171.11635	5.5
173.04453	17.6
173.13205	3.3
175.11208	13.4
177.12766	7.2
181.10121	2.6
183.11671	2.7
187.11192	2.2
189.11186	3.7
193.12241	37.7
195.13756	4.9
197.13176	2.9
211.13278	44.7
211.15257	2.9
219.13786	2.0
227.12816	4.9
228.27864	2.1
229.14301	3.3
247.20461	2.5
249.14767	2.9
253.14314	5.9
257.15366	1.9
257.18948	3.5
261.14972	2.3
267.15958	37.8
269.17453	14.7
273.18509	2.8
275.20038	19.6
285.14069	3.6
285.16971	45.6
291.19333	2.6
293.20999	2.7
301.14346	2.5
339.18103	3.3
349.23853	16.1
355.17447	3.1
367.24496	3.2
395.20746	4.0
411.20023	3.6
413.21790	16.7
429.21179	4.9
433.29688	2.6
443.27957	4.8
461.29007	41.5
479.30060	81.4
481.27972	2.2
503.30212	2.9
541.35260	20.1
545.31512	2.4
559.36304	29.8
569.31006	3.5
577.37610	11.1
583.36127	2.4
587.31903	8.3
605.32953	12.8
623.24585	3.4
623.34302	58.8
685.38922	4.1
703.39917	8.5
721.40759	8.9
733.28680	2.3
817.36218	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	900.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00266	0.4
65.03944	1.6
67.05507	30.3
69.02335	0.5
69.03428	1.2
69.07068	8.3
69.18311	2.0
69.18736	2.0
69.95951	0.4
71.04996	1.0
71.08643	0.6
73.02934	1.0
77.03930	0.7
79.05496	34.3
81.03427	3.6
81.07061	30.0
81.07439	0.3
83.04982	5.5
83.08624	4.6
85.02900	3.5
85.06556	1.1
91.03970	2.2
91.05482	23.6
93.07047	34.6
94.18858	0.4
95.04977	7.1
95.08611	20.2
97.02902	1.8
97.06517	2.8
97.10182	1.7
99.08072	0.7
105.04507	0.8
105.07034	18.6
107.04971	2.6
107.08599	14.1
109.06499	2.1
109.10157	7.3
111.08099	1.1
115.05454	0.6
117.07023	4.8
119.08588	11.5
121.06505	1.0
121.10148	8.9
123.08075	1.8
123.11736	1.6
125.09695	0.6
127.03939	0.6
128.06242	0.8
129.07010	5.6
131.08566	3.9
133.06447	0.4
133.10144	7.0
135.08012	0.4
135.11687	4.0
139.11185	0.5
142.07756	0.6
143.08569	3.1
145.04958	0.8
145.10117	5.3
146.08142	0.4
147.08052	0.9
147.11697	12.4
149.13298	2.6
159.11670	2.5
161.09650	1.6
161.13272	5.3
163.06158	0.5
163.14784	0.9
169.10126	0.6
171.11697	7.6
173.13338	1.1
175.14761	0.6
187.14943	1.1
189.12718	2.4
193.12282	0.6
207.13828	7.4
243.21191	1.1
259.20700	0.6
261.22195	2.9
267.15891	0.7
279.15945	1.3
281.17487	23.4
285.16925	0.7
313.27469	2.1
317.24805	1.1
333.24307	1.2
335.25809	34.2
336.25882	0.6
410.31924	0.4
445.55188	0.5
449.34430	0.9
523.39862	2.1
541.38928	100.0
542.39026	2.1
559.40253	2.4
638.90613	0.4
639.97162	0.5
817.86279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	12.3
67.05830	0.8
69.03407	1.8
69.07078	6.6
71.04970	1.6
71.08636	16.7
71.53157	0.9
73.02898	1.4
79.05494	8.4
81.03423	48.8
81.07059	17.5
83.04958	3.0
83.08168	1.1
83.08625	16.3
85.02908	5.4
85.09734	0.8
85.10184	11.4
89.05999	1.4
91.03955	3.8
91.04982	0.9
91.05485	11.4
93.07046	5.9
93.09477	0.6
95.04974	16.1
95.08080	1.0
95.08612	15.5
96.12435	0.6
97.02903	4.5
97.03407	0.9
97.06524	0.9
97.10184	5.2
99.08006	0.8
103.07577	1.2
105.07030	7.9
107.04951	3.9
107.08596	4.3
109.02878	0.8
109.06506	2.5
109.10153	8.0
111.04409	1.7
111.08075	4.7
111.11720	1.1
115.05511	1.2
117.07001	1.8
119.08587	7.2
120.08846	0.6
121.06475	2.0
121.10181	4.0
123.04395	1.6
123.08025	1.2
123.11703	3.2
125.09590	0.8
127.03922	1.5
128.06200	1.0
129.07014	4.8
131.08572	6.4
133.06436	2.2
133.10133	3.5
135.04384	0.6
135.11639	1.6
137.09666	1.2
137.13237	1.2
142.07782	1.4
145.04982	1.4
145.10120	1.6
147.04349	0.6
147.08049	2.0
147.11705	6.3
149.09647	3.4
157.10144	6.3
163.06111	3.4
163.07214	0.6
163.11142	1.5
164.23004	0.6
165.12714	1.2
171.11673	0.6
173.09761	0.7
175.11214	6.9
193.12256	22.5
203.10884	0.8
211.13268	1.5
239.23662	1.8
249.12361	0.7
249.14896	2.0
257.24713	2.5
259.13342	1.8
267.15927	100.0
268.16202	0.9
301.14404	1.3
302.16592	0.7
309.16998	2.0
313.27374	99.2
314.27557	1.8
333.13327	1.7
335.25739	1.9
335.29434	0.7
405.28677	0.6
425.17969	1.6
429.21735	0.8
505.38910	86.9
506.39078	1.2
523.39795	4.0
527.37543	0.9
547.39996	6.4
589.41357	1.2
601.40814	2.5
613.40869	1.7
631.41956	2.2
649.43066	1.7
685.39209	1.0
770.23419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.0
68.99792	13.8
70.08911	1.2
70.41970	1.8
70.42348	4.3
81.03408	4.6
91.05432	2.0
99.04470	1.5
103.16109	1.4
105.03381	2.9
109.02907	7.6
111.00800	16.2
111.04459	3.1
116.62852	1.2
119.04939	2.9
121.02901	2.6
123.04434	36.1
127.03924	100.0
133.02847	4.4
135.04407	10.5
137.02296	1.6
139.03908	94.2
144.20105	1.3
147.04433	13.6
149.02350	4.7
149.05928	1.4
151.03912	53.2
153.01826	3.2
155.03377	7.7
159.04399	2.8
161.06033	3.3
163.03952	16.6
165.05450	5.5
167.03418	3.2
169.04912	3.7
171.04385	3.5
173.06013	3.0
175.03912	17.0
177.05481	11.8
179.03410	67.9
181.04945	1.8
183.04312	1.2
185.05940	3.6
187.03941	3.4
189.05499	6.9
191.03392	11.2
193.04959	3.6
197.05972	1.8
199.03917	5.9
201.05470	6.0
203.01521	1.7
203.03423	29.7
213.05472	8.6
215.03410	2.9
217.04916	8.3
219.06639	1.7
223.02414	3.1
225.05502	1.9
227.03423	1.9
229.04977	8.5
231.06480	6.0
233.04388	6.6
241.04976	4.6
245.04475	94.5
247.02570	1.2
247.03613	1.5
247.06023	13.5
253.05029	1.5
257.04471	22.7
258.05231	2.1
259.06042	4.8
263.05527	38.3
265.05133	2.2
269.04486	7.4
271.06033	7.0
275.05502	27.6
277.07092	3.6
281.04404	3.9
282.05219	1.4
285.03912	1.4
287.05511	72.8
289.07025	2.6
291.08649	18.9
295.06158	1.3
297.03842	2.5
299.05527	20.3
301.06836	1.6
305.06519	32.4
311.05389	3.8
315.05240	1.5
317.06488	17.6
321.07486	2.3
329.06506	3.1
339.04926	2.1
349.07092	2.1
351.04910	3.0
393.06058	2.6
395.07477	3.2
397.09274	2.3
399.07150	1.9
405.06207	6.6
409.08981	4.9
411.07007	2.9
413.08609	6.5
423.07086	22.3
425.08707	17.2
425.60486	1.5
427.10132	8.3
435.07260	6.8
437.08542	3.0
441.08209	12.9
443.09805	14.0
453.08185	4.9
455.09805	1.7
463.50446	1.4
465.08038	4.9
469.11118	1.8
483.08542	2.1
549.10345	1.6
561.09656	2.9
567.11194	2.0
595.14563	10.8
713.14935	3.0
725.88824	1.6
731.15442	3.0
916.54089	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81538	0.4
67.05512	1.7
69.03438	2.8
69.07078	0.6
71.04982	0.5
71.53179	0.6
73.02921	3.2
79.05486	1.9
81.03424	4.0
81.07065	2.3
83.04993	0.4
83.08633	1.1
85.02917	6.0
91.03957	2.3
91.05482	2.5
93.07056	1.5
95.04992	1.7
95.08634	0.7
97.02885	4.5
101.02412	1.4
103.04030	0.5
105.07054	1.6
107.05006	0.4
107.08584	0.9
109.02888	0.8
109.10158	0.6
111.08033	0.4
119.08621	1.4
121.06526	0.4
121.10205	1.4
123.11681	0.4
127.03960	1.6
129.07043	1.3
131.08618	1.2
133.06557	0.5
133.10179	1.1
139.03943	0.6
147.04448	0.9
147.11722	1.0
149.09688	1.5
157.10193	1.1
175.11243	1.2
185.04300	0.5
193.12369	1.5
211.13319	1.0
243.08504	1.7
251.12656	0.7
267.15997	1.0
283.15195	2.1
339.17657	0.5
347.09607	2.0
365.10507	0.6
379.71768	0.4
405.13687	4.1
456.69522	0.5
469.20480	7.7
501.23105	7.4
509.23709	0.5
631.25708	8.1
663.28497	7.6
707.35516	0.5
721.32971	0.5
729.36646	3.5
891.42023	100.0
892.42029	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
63.15551	2.0
65.03924	3.6
67.05506	100.0
69.03423	8.8
69.06738	3.5
69.07072	35.7
71.05002	16.6
71.11331	4.4
79.05500	59.0
81.03436	18.7
81.06590	3.9
81.07062	80.3
83.04977	13.5
83.08620	23.6
85.02889	8.0
85.06534	5.3
91.05485	58.0
93.07050	66.6
94.60036	2.2
95.04992	13.6
95.08070	2.8
95.08611	38.0
96.08987	2.4
97.02888	4.8
97.06525	25.2
97.10176	15.5
99.08121	4.4
105.07037	50.6
107.04944	10.0
107.08605	50.0
109.06504	11.0
109.10159	37.8
111.08062	8.5
113.09624	2.5
115.05425	3.0
117.07012	27.2
119.08588	37.4
121.06502	8.2
121.10159	19.6
123.08046	6.4
123.11706	3.5
125.09605	13.1
129.07018	10.5
131.08586	25.9
133.06470	5.4
133.10123	30.8
135.08072	7.9
135.11690	17.2
137.09610	7.2
141.06996	3.1
141.69562	2.3
143.08560	16.8
145.06404	3.0
145.10153	28.5
147.11655	20.9
149.09610	15.1
149.13237	12.1
151.07558	4.0
151.11180	4.1
151.50325	2.6
155.08534	8.1
155.10652	2.5
157.10078	10.6
159.08073	3.8
159.11702	14.8
161.09660	3.6
161.13275	7.5
163.11166	14.5
167.08415	3.7
168.09190	2.8
169.10074	6.7
171.11678	8.8
173.11790	4.9
173.13260	7.3
175.11137	3.3
175.14703	3.3
177.12741	3.1
181.12186	3.7
183.11670	7.6
185.13216	7.6
187.11179	3.1
187.14784	2.9
189.11198	8.4
189.12784	4.3
195.11664	2.6
195.13736	2.5
197.13240	6.0
199.14771	3.3
211.13013	2.4
227.12738	17.2
229.14308	19.5
255.15912	10.7
257.19046	9.1
269.17459	19.0
275.20114	51.4
291.19537	4.5
293.21179	3.3
349.23779	39.9
381.26563	2.7
409.26117	3.2
423.27316	20.9
431.27747	6.9
433.30902	4.1
445.29697	5.4
449.29050	14.4
463.30411	17.4
503.33698	19.5
515.36957	3.3
519.32727	2.7
525.35602	17.3
529.35199	20.8
543.36865	78.0
544.36383	2.8
561.37628	9.6
571.32245	3.2
575.39178	4.3
605.41846	3.6
607.34570	10.6
623.43042	22.6
641.44257	6.7
655.45575	5.5
687.40503	9.9
705.41620	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	888.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.3
66.99955	0.3
67.05508	48.8
69.03444	2.6
69.07071	13.3
70.64614	0.9
71.05001	2.9
71.08636	0.7
72.70285	0.3
73.02921	2.9
73.41685	0.4
77.03904	0.5
79.05496	34.7
81.03429	3.1
81.07059	59.7
83.04989	3.0
83.08620	11.1
85.02910	12.0
85.06541	3.1
91.03963	8.0
91.05483	21.2
93.07047	43.7
95.04961	3.7
95.08611	30.8
95.09236	0.8
96.04475	0.4
97.02894	6.7
97.06535	5.0
97.10168	2.4
99.04482	0.8
99.08100	1.6
102.43547	0.3
103.03995	0.3
103.05455	0.4
105.04520	1.2
105.07034	12.4
106.77592	0.3
107.04966	0.6
107.08598	26.8
109.02858	0.8
109.06564	1.9
109.10156	13.2
111.08089	3.0
113.09660	0.7
115.03930	0.7
117.07032	7.9
118.35808	0.3
119.06027	0.4
119.08588	8.1
121.06522	1.7
121.10150	16.5
123.08086	1.2
123.11712	5.4
125.09653	1.1
125.72682	0.3
127.03918	2.6
127.07581	0.4
129.07010	1.4
131.08574	9.8
133.06485	0.4
133.10138	12.7
134.56041	0.3
135.08066	1.6
135.11702	12.5
137.09642	0.7
137.13289	0.9
143.08612	0.7
145.04950	2.6
145.10135	5.4
147.11700	4.7
149.09619	1.0
149.13266	12.2
151.11201	1.5
152.67262	0.4
157.10139	0.7
159.11705	7.9
161.13246	3.2
163.06012	2.9
163.11299	0.4
163.14821	2.3
165.12657	0.4
167.14253	0.3
169.10243	0.6
171.11687	0.7
173.13239	3.1
175.14882	0.7
177.12788	2.5
179.14305	0.7
183.11685	0.5
185.13280	0.6
187.14830	1.2
195.13794	6.8
201.16377	0.6
213.14844	0.9
213.16609	0.4
229.14400	1.0
243.21101	2.4
245.22818	0.3
251.16490	0.4
253.17943	0.7
259.20627	0.8
261.22162	7.3
267.15945	1.3
269.17490	42.4
270.17856	0.6
299.23532	0.4
317.24673	1.7
335.25812	68.2
336.26263	1.2
361.87558	0.3
413.21542	0.4
419.33133	0.6
431.31949	0.5
437.34116	1.9
455.35120	1.3
473.36261	0.7
497.22192	0.3
511.37674	1.2
529.38910	100.0
530.39069	1.9
547.40033	2.9
673.43030	0.7
691.44836	0.5
874.55634	0.4
888.50903	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51195	0.2
66.97647	0.3
67.05501	3.0
69.03431	3.1
69.07075	1.2
71.01363	0.5
71.04999	0.4
71.08633	1.0
71.53474	0.2
73.02922	3.2
73.58894	0.2
79.05497	2.0
81.03413	3.5
81.07056	4.0
83.04974	0.7
83.08616	1.4
85.02910	5.1
85.10203	0.6
88.62563	0.2
91.03958	3.2
91.05492	1.8
93.07046	1.9
95.04990	0.6
95.08601	2.1
97.02901	5.6
97.06528	0.4
97.10159	0.4
99.04464	0.7
101.02383	1.8
103.03896	0.3
105.07015	1.2
107.04970	0.4
107.08591	1.2
109.02873	1.0
109.06565	0.3
109.10168	1.5
111.08084	0.6
111.73811	0.2
115.03951	0.5
119.08608	1.0
121.06536	0.2
121.10168	0.7
122.23335	0.2
123.08055	0.3
123.11732	0.4
127.03916	2.0
129.07033	0.4
131.08604	0.7
133.10162	1.2
135.11703	0.3
145.04941	0.3
145.10185	0.5
147.11725	0.6
149.13326	0.5
157.10167	0.6
159.11702	0.4
166.97273	0.2
175.11288	0.4
183.06654	0.3
185.04272	0.8
193.12277	1.1
202.28835	0.2
203.05345	0.6
211.13283	0.5
218.36211	0.2
229.14272	0.3
243.08447	1.6
249.18471	0.3
251.12646	0.8
253.14409	0.8
254.14642	0.3
261.22134	0.2
269.17459	1.2
285.17023	0.3
307.15399	0.6
313.27493	0.9
335.25949	1.2
347.09445	2.4
363.09030	0.6
365.10733	1.0
403.12558	0.3
405.13696	4.8
455.23071	0.4
469.20432	7.6
469.27170	0.4
497.23782	0.3
497.30905	4.3
529.39020	3.3
631.25653	6.6
632.26300	0.2
659.36090	4.6
725.44434	2.5
851.26404	0.2
887.49731	100.0
888.49365	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	888.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	3.7
66.67908	0.8
67.05508	100.0
69.03431	8.6
69.07072	27.8
69.07458	1.3
70.56782	0.8
70.57088	1.4
71.01347	2.4
71.05001	5.9
73.02905	2.9
77.03942	0.9
78.74495	0.7
79.05497	50.6
81.03423	18.5
81.07059	69.1
83.04980	14.6
83.08625	19.0
85.02913	13.0
85.06553	5.3
87.04467	4.8
91.03950	1.1
91.04904	1.7
91.05482	39.8
93.07047	44.4
95.04975	12.4
95.08610	29.5
97.02895	7.3
97.06538	15.0
97.10176	18.9
99.04470	0.9
99.08099	3.6
101.05991	0.9
103.03926	1.7
103.05469	1.3
105.04502	2.0
105.07035	28.7
107.04954	9.6
107.07873	1.8
107.08600	33.5
109.02865	1.5
109.06532	8.1
109.10160	57.9
111.04450	2.7
111.08092	6.7
113.09661	0.8
115.05482	1.5
117.07023	15.2
119.06081	0.9
119.08591	24.3
121.06508	4.6
121.10146	15.0
123.04420	1.1
123.08061	3.9
123.11708	3.7
125.05986	1.0
125.09644	19.6
127.03928	2.6
128.06190	1.3
129.05515	5.2
129.07013	4.5
130.07793	1.0
131.08566	14.0
133.06499	1.7
133.10138	20.8
135.08066	4.9
135.11693	13.2
137.06009	1.1
137.09630	5.8
139.11137	1.8
141.07037	1.8
143.08627	4.3
143.10591	1.9
145.04953	1.0
145.06538	1.5
145.10129	15.0
145.11163	1.3
147.08116	2.5
147.11688	10.6
149.09631	11.7
149.13295	8.3
149.14412	1.3
151.11194	2.7
151.48810	1.1
153.09087	2.0
153.12761	1.9
155.08569	2.2
155.10690	4.2
157.06554	1.1
157.08835	0.9
157.10130	3.6
159.08026	0.9
159.11697	11.6
161.09689	1.5
161.13277	5.4
163.11186	14.2
165.09102	1.5
165.12723	1.5
169.10144	2.2
171.10297	1.3
171.11697	3.1
173.04446	2.8
173.09656	1.9
173.11746	14.9
173.13283	4.3
175.11182	2.4
177.12738	4.0
179.14317	2.6
181.12206	3.8
183.10196	0.9
183.11653	1.9
185.13309	1.2
187.11241	1.4
187.14899	1.3
189.11255	5.6
189.12680	1.1
191.10683	3.3
193.12308	3.4
195.13823	5.2
197.13298	2.1
199.13303	6.3
199.14893	1.4
201.14861	1.0
209.11786	5.3
211.13196	1.8
213.14723	1.1
227.12791	20.7
227.14955	1.6
227.17953	0.9
229.14351	46.4
229.19461	2.4
239.17953	2.9
245.13829	1.5
247.20607	2.3
251.16486	1.5
253.14171	0.9
255.15903	8.1
257.19073	6.1
259.20856	1.1
265.14389	1.6
267.15955	6.7
269.17484	21.7
273.18637	1.0
275.20093	31.2
283.15430	4.3
285.17218	1.0
293.21246	2.3
301.16458	11.0
303.16199	1.2
331.22629	1.7
335.25732	3.2
349.23740	27.0
367.24811	3.2
399.23837	19.3
407.27673	1.1
409.25870	7.4
413.21619	2.2
423.27414	22.3
473.32880	1.3
477.28543	2.0
481.27875	1.3
491.33557	1.3
492.55872	0.9
495.29459	4.2
503.33713	12.3
516.26703	0.9
521.34601	2.9
529.38513	2.7
541.34644	1.1
575.35577	2.7
579.35309	4.6
593.36902	24.3
648.03845	0.9
673.43188	10.0
691.44019	3.6
737.98505	0.9
783.02112	0.9
835.46893	0.9
896.11401	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	4.1
69.03427	4.2
69.07069	1.9
69.21426	3.7
71.01389	0.6
71.05003	0.7
71.08637	1.5
73.02925	4.5
73.14406	0.4
73.88235	0.4
77.72597	0.3
79.05498	2.2
79.29907	0.3
81.03428	3.6
81.07056	4.2
83.04984	1.0
83.08619	1.8
85.02915	6.1
85.10196	1.0
91.03956	3.5
91.05467	2.1
93.07063	1.5
95.04980	0.8
95.08625	2.9
97.02898	6.6
97.10181	1.2
99.04466	1.1
101.02404	1.3
103.03963	0.9
105.07059	1.5
107.04957	0.5
107.08611	0.9
109.02877	0.8
109.06577	0.6
109.10152	2.1
115.03957	0.7
119.08590	0.6
120.67141	0.4
121.10188	0.4
123.08162	0.5
123.66415	0.4
125.09698	0.6
127.03923	2.1
129.07083	0.4
130.08640	0.6
131.08583	0.6
133.10194	1.1
143.08629	0.4
145.04979	1.0
145.10179	0.4
147.11656	0.5
173.11855	0.5
175.11211	0.6
185.04268	1.2
193.12253	0.5
203.05374	0.8
225.36819	0.4
229.14384	1.4
239.23648	0.5
243.08481	1.3
251.12798	0.8
267.15982	0.7
291.19598	3.2
292.20068	1.4
301.16745	0.4
305.54114	0.4
313.27563	1.7
347.09644	2.1
365.10760	0.9
365.23300	0.8
366.23578	0.9
405.13644	5.3
412.07343	0.4
469.20569	3.6
497.30884	7.7
519.33209	0.6
520.33722	0.8
631.25824	3.3
659.36102	9.0
690.43512	0.7
725.44800	2.7
797.81616	0.4
887.49774	100.0
888.49646	3.0
903.60059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.9
67.05510	53.6
69.03130	1.0
69.03442	9.5
69.07072	23.3
70.48306	0.8
71.01364	1.1
71.04972	3.2
71.52567	1.7
73.02950	1.2
74.43931	0.8
77.03957	0.9
79.05499	27.0
81.03425	11.8
81.07064	31.8
83.04991	7.1
83.08622	13.2
84.08122	1.8
85.02907	7.0
85.06540	2.6
87.04449	3.2
91.05492	20.3
93.06126	1.0
93.07057	20.2
95.04967	9.2
95.08619	16.1
97.02908	7.5
97.06556	5.0
97.07128	1.0
97.10174	15.6
99.08086	1.2
105.06401	1.2
105.07041	13.6
107.04961	7.7
107.08604	15.5
109.06517	3.9
109.10164	34.9
111.04442	2.0
111.08088	2.2
117.07011	6.4
119.04960	1.0
119.08585	13.7
121.06519	4.6
121.10161	5.3
123.04519	1.1
123.08063	3.4
123.11667	1.4
125.09650	13.3
125.46246	1.0
129.05493	2.2
129.06978	2.9
129.75670	1.1
130.08684	2.3
131.08580	9.6
133.06464	3.7
133.10153	7.2
134.07266	1.7
135.08035	3.1
135.11679	4.4
137.09630	3.6
139.11182	1.5
141.07089	1.3
142.07722	1.0
143.08571	3.5
145.10143	7.3
147.08080	5.8
147.11662	3.9
149.09607	1.9
149.13257	2.2
151.11172	1.1
153.12817	1.4
155.10641	1.7
157.08719	1.3
157.10114	3.9
159.11656	2.3
161.09615	3.2
161.13290	1.8
163.11201	5.7
164.03011	1.1
165.09137	1.1
171.11563	1.1
173.09596	1.3
173.11781	10.7
173.13225	1.6
175.11191	2.2
189.11189	4.2
193.12289	2.2
199.13292	6.4
205.12245	2.8
209.11708	3.1
211.13258	2.0
223.13306	15.1
227.12759	7.5
229.14372	30.9
241.65532	0.9
245.19003	1.8
249.14861	3.7
253.14351	4.0
263.20038	1.4
265.14380	1.5
267.15894	3.9
273.18463	13.5
283.15369	3.6
291.19562	100.0
301.16571	9.0
322.26965	1.1
335.25815	1.2
347.22192	2.2
365.23251	39.6
399.23819	11.6
489.32147	2.6
497.37943	1.1
507.32880	2.9
509.38800	1.1
519.33228	33.6
527.37231	1.7
557.34589	2.1
573.34021	2.3
591.35315	7.9
609.35693	2.8
689.42621	14.4
886.48071	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
63.23000	0.3
65.03943	0.6
67.05508	12.2
69.03419	2.3
69.07071	3.3
71.04993	2.0
73.02922	0.7
79.05498	13.3
81.03421	56.6
81.07062	12.6
83.04985	5.5
83.08623	15.9
85.02909	9.8
85.06535	0.9
91.03951	1.3
91.04912	0.6
91.05486	16.9
93.07044	9.4
95.04973	20.0
95.08613	5.7
97.02897	2.8
97.06531	1.8
97.10178	4.7
99.04450	0.4
99.08093	0.7
105.07031	13.0
107.04955	5.5
107.08601	4.7
109.02886	0.3
109.06519	3.1
109.10159	2.7
111.04456	2.1
111.08080	6.5
113.06051	0.5
115.05471	1.3
117.07030	1.9
119.04906	1.0
119.08587	11.9
120.74168	0.4
121.06513	3.7
121.10153	6.0
123.04440	0.9
123.08084	2.5
123.11691	0.8
125.09623	2.6
127.03898	0.7
127.07572	0.4
128.06287	0.4
129.07016	8.5
129.07919	0.7
131.04929	1.0
131.08578	8.1
133.06532	2.3
133.10143	5.7
135.08055	0.9
135.11703	0.6
137.05960	0.5
137.09662	1.7
141.07040	1.0
142.07785	1.7
143.08582	1.2
145.05031	0.7
145.06491	4.1
145.10149	2.3
147.04446	0.4
147.08078	3.7
147.11693	8.8
149.09622	4.3
153.09166	0.5
155.08656	0.8
157.06546	0.8
157.10133	9.8
159.08057	1.2
159.11671	0.6
161.05980	0.6
161.09669	0.6
163.06073	0.8
163.11171	1.7
165.12785	2.4
167.08647	0.4
169.10175	0.4
171.08063	1.4
171.10281	0.3
171.11815	0.9
173.09634	0.5
175.11201	9.6
177.12715	0.6
181.10205	0.4
183.08060	0.4
183.11649	0.5
185.09660	0.6
185.13258	0.5
187.11165	0.3
189.11211	1.0
189.12827	1.0
193.12247	29.4
194.12790	0.3
195.08025	0.5
195.11743	1.0
197.09700	0.7
197.13301	1.1
199.11244	0.5
205.12228	1.0
205.15988	0.5
211.11392	0.6
211.13289	11.8
211.15294	0.7
213.12762	1.0
215.14352	0.6
219.11748	0.3
219.13847	0.3
223.13184	0.5
225.12733	0.6
227.12749	1.1
227.14627	0.4
229.14366	1.1
231.13918	0.6
233.15398	0.9
235.13298	0.7
237.12758	0.9
237.14850	0.4
239.14375	0.4
241.12300	0.4
241.90961	0.3
241.93713	0.3
243.13832	0.7
249.14888	2.3
255.13753	1.8
257.15207	0.4
259.13416	0.4
267.15924	100.0
268.16245	1.5
273.14822	4.3
285.16983	9.9
301.14285	0.7
309.16943	1.2
323.19159	0.5
339.23218	1.0
341.21136	2.6
349.21594	2.7
355.13159	0.4
357.24319	0.9
367.22708	7.4
367.27307	0.4
385.23779	8.5
403.24832	2.8
405.24377	0.8
415.24796	0.8
421.92603	0.4
423.25464	0.4
433.25916	18.3
441.26401	10.0
449.17838	0.4
459.27426	88.2
460.27948	1.5
477.28510	55.0
478.28726	1.2
491.29987	1.2
501.28494	2.1
509.31140	1.3
519.29352	3.1
525.28308	0.6
543.29242	0.8
567.29431	1.1
573.30414	1.1
585.30591	2.0
603.31781	2.6
621.32568	1.4
765.36975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5735
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.3
65.11042	2.6
67.05511	65.3
69.03444	10.7
69.07077	44.3
70.67856	4.8
70.68195	4.2
71.04996	4.9
71.63680	2.0
74.27940	2.0
76.38217	2.0
79.05499	56.5
81.03436	15.8
81.07066	86.4
83.04987	11.4
83.08620	16.6
84.06834	2.2
85.02899	9.6
85.06538	5.8
91.03936	2.8
91.05490	52.5
93.07055	61.0
95.04976	9.9
95.08615	37.9
97.02893	7.8
97.06542	20.7
97.10188	16.7
99.08108	6.5
103.05502	3.2
105.07032	46.1
107.04954	8.3
107.08607	42.5
109.02871	4.6
109.06517	8.5
109.10176	17.5
110.88326	2.3
111.08082	8.4
113.09676	2.1
115.05486	3.1
116.87901	2.3
117.07021	19.7
119.08592	37.6
121.06511	6.4
121.10151	24.4
123.08097	5.9
123.11752	5.3
125.09679	15.9
127.03941	4.3
129.05466	3.5
129.07001	7.6
131.08594	26.0
133.10152	33.2
135.08041	6.8
135.11699	22.0
137.09586	6.2
141.06999	4.4
143.08568	9.0
145.06444	2.4
145.10133	26.1
146.08151	2.3
147.08061	4.5
147.11728	20.4
149.09642	23.7
149.13258	13.8
150.51968	1.8
151.11154	4.1
155.08586	2.8
157.10147	8.0
159.08171	2.3
159.11682	23.3
161.09584	4.8
161.13223	7.4
163.11168	15.7
165.12799	2.9
169.10098	6.2
171.11693	7.3
173.04562	3.7
173.11821	3.1
173.13284	7.2
175.11115	3.7
177.12718	9.1
179.14317	7.9
181.12276	3.1
183.11710	5.9
185.13284	4.6
187.14868	2.5
189.11171	11.2
189.12724	3.2
191.10710	2.6
195.11777	2.3
195.13779	10.4
197.13300	5.1
199.14839	3.6
201.12740	2.5
227.12769	35.8
229.14369	3.8
229.19417	3.5
233.15392	4.0
239.05768	2.4
239.18089	5.3
245.13792	4.4
247.20680	7.0
253.18001	5.1
255.15875	22.7
257.19073	20.1
259.20535	3.8
267.15930	9.9
269.17508	73.3
273.18457	3.2
275.20090	95.8
285.10272	2.6
293.21140	7.9
331.22760	6.6
349.23770	100.0
350.17145	2.4
367.24774	9.1
373.27432	2.4
390.70059	2.5
413.21625	2.8
431.28308	3.5
439.26694	3.1
445.29391	4.2
447.31030	2.8
449.29071	21.3
461.28589	3.0
463.30685	28.8
515.37195	4.1
519.33337	6.5
525.35699	7.9
527.37677	2.6
529.35461	17.5
543.36865	68.1
544.35931	3.1
547.36151	2.8
561.38123	15.3
623.43079	14.7
641.44037	9.7
866.55676	2.7
884.56195	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	884.5733
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	6.4
67.05187	4.8
67.05512	76.2
69.03413	10.7
69.07075	37.6
71.05010	5.0
71.53746	3.5
71.54124	3.6
78.03004	3.3
79.05492	56.3
81.03428	19.9
81.06596	5.3
81.07061	94.7
83.04973	16.6
83.08622	20.6
85.02895	12.7
85.06522	3.9
91.05486	55.5
93.07048	56.2
95.04961	12.6
95.08614	42.8
97.02871	11.2
97.06535	22.2
97.10156	13.0
99.08090	8.0
105.07024	47.9
107.04964	13.9
107.08598	41.0
109.06514	9.8
109.10168	17.4
111.04434	5.4
111.08083	9.7
117.07039	22.6
119.08599	38.8
121.06480	9.0
121.10147	26.9
123.08102	8.7
123.11732	5.3
125.09614	9.7
127.03933	8.2
129.05473	4.5
129.07022	10.6
131.08554	29.6
133.06503	4.0
133.10147	39.2
135.08061	10.4
135.11693	28.8
137.09639	6.1
139.11046	4.2
141.06934	5.1
143.08543	10.1
145.04994	4.8
145.10121	22.9
147.11681	22.9
149.09636	24.4
149.13280	17.3
151.11139	3.9
155.11932	3.6
157.04976	3.7
157.10127	9.5
159.11720	21.8
161.09578	6.5
161.13261	7.0
163.11174	14.2
165.12793	6.0
169.10033	4.1
171.11626	7.6
173.04419	4.3
173.13231	7.9
177.12740	11.3
179.14365	6.3
181.12375	4.0
183.11662	4.6
189.11272	5.1
195.11836	4.5
195.13821	13.4
197.13205	5.6
209.13464	4.1
210.26416	4.2
213.14923	3.8
215.14482	4.4
227.12718	18.5
229.14180	5.1
229.19469	5.1
239.17909	10.1
247.20320	6.6
251.16586	5.4
253.14555	4.9
255.15942	33.1
257.19000	24.0
267.16043	5.0
269.17477	98.7
273.18414	5.8
275.20071	83.4
276.20450	4.1
293.21069	9.9
331.22729	6.0
349.23721	100.0
365.23242	5.1
367.24704	17.8
433.29535	5.3
445.29349	4.9
449.28912	32.2
463.30643	50.6
525.35547	10.8
529.35162	18.3
543.36804	83.6
547.36188	4.5
561.37506	16.6
623.42950	15.3
641.43829	16.1
692.36353	4.3
884.56299	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	883.469
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	40.5
67.07043	2.4
69.03417	14.6
69.07072	30.3
70.06599	7.7
71.05002	4.6
71.53765	2.6
79.05497	36.0
81.03419	70.7
81.07057	51.5
83.04993	19.7
83.08629	18.1
84.04554	2.4
85.02914	11.3
85.06551	4.1
87.21608	2.6
88.34571	2.8
91.05483	55.4
91.06012	3.9
93.07047	42.7
94.25837	2.4
95.01357	7.9
95.04987	20.1
95.08616	28.0
97.02885	13.9
97.06549	47.7
97.10178	3.8
99.04461	4.1
105.07034	66.9
107.04964	19.4
107.08578	15.4
109.02874	6.2
109.06566	9.1
109.10181	9.4
111.04481	4.0
111.08102	6.9
117.07020	17.8
119.08586	36.1
121.06511	6.4
121.10208	8.0
123.08083	5.5
123.11752	3.9
125.09649	3.0
127.03958	8.5
129.07050	9.5
131.08582	22.1
133.06528	4.0
133.10132	37.6
135.08099	6.6
135.11731	8.3
137.09692	3.1
141.07112	2.8
143.08603	7.7
145.06516	6.1
145.10127	14.2
147.11694	19.9
149.09645	10.8
149.13303	3.4
155.08565	2.8
157.10181	9.6
159.11685	15.2
161.13312	4.6
163.11246	7.2
165.09132	2.9
165.12846	3.2
165.90781	2.5
173.04533	4.2
173.13214	4.2
175.11215	9.2
177.12778	3.4
179.14331	14.0
183.11711	3.3
185.13272	3.7
187.11179	4.1
187.14865	3.2
193.12239	19.0
211.13303	21.5
239.18022	4.0
247.20493	4.4
257.19077	4.1
267.15948	41.1
275.20071	75.9
279.15848	3.1
285.17004	10.0
293.21213	5.7
349.23709	48.6
393.19150	3.3
411.20166	10.4
429.21078	27.9
445.46420	3.1
541.35266	100.0
559.36328	25.1
583.36163	3.8
585.64313	3.0
685.39423	7.4
703.40424	80.9
704.42279	3.7
715.12714	2.6
883.42236	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	883.469
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	40.5
67.07043	2.4
69.03417	14.6
69.07072	30.3
70.06599	7.7
71.05002	4.6
71.53765	2.6
79.05497	36.0
81.03419	70.7
81.07057	51.5
83.04993	19.7
83.08629	18.1
84.04554	2.4
85.02914	11.3
85.06551	4.1
87.21608	2.6
88.34571	2.8
91.05483	55.4
91.06012	3.9
93.07047	42.7
94.25837	2.4
95.01357	7.9
95.04987	20.1
95.08616	28.0
97.02885	13.9
97.06549	47.7
97.10178	3.8
99.04461	4.1
105.07034	66.9
107.04964	19.4
107.08578	15.4
109.02874	6.2
109.06566	9.1
109.10181	9.4
111.04481	4.0
111.08102	6.9
117.07020	17.8
119.08586	36.1
121.06511	6.4
121.10208	8.0
123.08083	5.5
123.11752	3.9
125.09649	3.0
127.03958	8.5
129.07050	9.5
131.08582	22.1
133.06528	4.0
133.10132	37.6
135.08099	6.6
135.11731	8.3
137.09692	3.1
141.07112	2.8
143.08603	7.7
145.06516	6.1
145.10127	14.2
147.11694	19.9
149.09645	10.8
149.13303	3.4
155.08565	2.8
157.10181	9.6
159.11685	15.2
161.13312	4.6
163.11246	7.2
165.09132	2.9
165.12846	3.2
165.90781	2.5
173.04533	4.2
173.13214	4.2
175.11215	9.2
177.12778	3.4
179.14331	14.0
183.11711	3.3
185.13272	3.7
187.11179	4.1
187.14865	3.2
193.12239	19.0
211.13303	21.5
239.18022	4.0
247.20493	4.4
257.19077	4.1
267.15948	41.1
275.20071	75.9
279.15848	3.1
285.17004	10.0
293.21213	5.7
349.23709	48.6
393.19150	3.3
411.20166	10.4
429.21078	27.9
445.46420	3.1
541.35266	100.0
559.36328	25.1
583.36163	3.8
585.64313	3.0
685.39423	7.4
703.40424	80.9
704.42279	3.7
715.12714	2.6
883.42236	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	883.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29558	1.6
65.03918	5.0
67.05508	55.0
69.03083	2.9
69.03430	30.1
69.07066	22.5
69.39893	9.3
69.40311	4.1
70.06554	2.3
71.01331	1.9
71.04994	9.0
73.02889	2.6
73.03518	1.7
77.03921	1.6
79.05495	55.2
81.03419	100.0
81.07060	53.5
83.04984	25.8
83.08627	25.6
85.02910	24.6
85.06524	2.7
91.03976	4.2
91.05480	55.9
93.06484	2.7
93.07050	46.3
95.04962	34.0
95.07983	2.2
95.08613	27.2
95.09192	3.3
97.02886	24.7
97.06524	20.5
97.10168	14.6
98.21453	3.6
99.04453	8.1
101.02360	2.7
103.05434	2.7
105.07027	46.2
105.42099	1.7
107.04964	17.4
107.08591	34.6
109.02885	15.1
109.06524	10.9
109.09566	1.8
109.10166	18.8
111.04421	9.6
111.08077	12.4
115.05405	3.1
116.06243	2.6
117.07019	20.3
119.04897	1.7
119.08586	36.6
121.06498	10.6
121.10147	21.4
123.04432	5.5
123.08070	8.0
123.11690	6.3
125.09623	15.0
127.03928	16.2
129.05449	4.3
129.06998	16.0
131.04877	2.2
131.08580	29.7
133.06488	4.9
133.10123	27.4
135.08069	9.2
135.11668	7.9
137.05957	1.9
137.09604	5.2
139.03862	2.2
141.06966	4.6
142.07744	3.9
143.08620	10.0
144.09357	2.9
145.04967	3.2
145.06487	6.0
145.10117	17.2
147.04439	3.2
147.08047	5.7
147.11668	24.1
149.09619	16.7
149.13246	6.0
151.11176	3.9
153.09116	2.3
153.12511	2.0
155.08525	6.8
157.06543	2.1
157.10136	16.1
159.08034	6.0
159.10435	2.0
159.11696	16.4
161.05882	1.8
161.09567	4.1
161.13251	4.4
163.11168	12.0
165.12712	7.0
169.10107	8.1
170.42047	1.9
171.07951	2.9
171.11630	7.7
172.89479	1.6
173.04469	18.6
173.05894	2.8
173.09616	3.2
173.11710	3.1
173.13245	5.7
175.07558	2.1
175.11165	15.1
177.12750	5.3
181.06345	1.8
181.10118	2.9
181.12239	2.5
183.11682	4.7
185.09555	2.2
185.13263	5.5
187.11188	3.1
189.11205	4.4
189.12732	3.5
191.10629	2.9
193.10429	2.4
193.12236	31.8
195.11752	3.2
195.13782	3.2
197.13170	2.9
199.11159	2.2
199.14793	1.6
201.12688	2.9
203.14253	2.0
209.11671	2.0
211.11336	3.0
211.13286	34.3
213.12766	2.2
223.11162	2.1
223.13104	2.4
227.12683	12.7
229.14336	6.1
231.13702	1.9
239.14227	2.2
239.17961	3.4
247.20583	2.1
249.14813	3.7
257.19019	8.0
267.15921	33.5
269.17502	6.2
273.14764	3.6
273.18533	2.3
275.20087	53.0
283.15494	1.7
285.16965	19.6
293.21173	4.5
299.20065	2.1
301.14255	3.2
309.16840	2.0
313.21643	3.5
315.23019	2.2
319.15652	2.3
321.24344	2.1
331.22684	3.8
349.23734	36.1
355.17334	4.9
375.17963	2.4
377.23083	2.1
393.19009	3.7
411.20023	4.4
413.21692	2.6
419.24179	3.2
429.21332	11.8
429.26221	2.4
439.27115	3.9
443.27942	2.4
447.27197	2.3
449.30603	3.2
461.28870	15.8
467.31631	2.8
475.26733	2.1
479.30048	6.4
493.28220	2.7
513.35718	2.5
523.33972	4.7
541.35266	62.6
557.31506	3.0
559.36292	57.4
569.30988	2.6
577.37250	4.7
583.37036	3.4
587.31610	5.0
605.32867	6.3
623.34119	12.5
625.37109	2.6
637.35980	1.7
649.37292	2.3
667.39221	7.7
685.39642	13.6
703.29254	3.3
703.40521	42.3
721.41443	10.0
721.75073	1.8
767.37469	2.2
865.45404	3.3
883.43604	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	883.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.5
67.01860	0.9
67.05502	1.4
68.99797	8.6
71.53182	1.0
79.05473	1.3
81.03419	4.4
85.02899	1.1
89.03916	1.5
93.03381	2.0
95.04956	2.1
103.05503	1.3
107.04967	4.8
109.02905	5.0
111.00802	8.9
111.04449	6.7
117.03391	1.4
119.04948	2.0
121.02845	1.4
123.04437	44.7
127.03926	100.0
128.04245	0.9
131.04921	3.4
133.02866	1.7
135.04427	47.4
137.02325	3.7
139.03912	65.3
145.02777	1.2
145.06390	1.0
147.04405	8.6
149.02376	6.7
149.05931	1.9
151.03915	24.6
153.01765	1.3
155.03381	2.3
155.04851	1.8
157.06566	1.8
159.04366	2.1
161.02423	0.9
161.05983	3.6
163.03918	55.7
164.04448	1.1
165.05473	3.2
167.03375	5.0
169.05031	1.8
169.06462	1.8
171.04434	1.1
173.05992	4.0
175.03918	8.1
175.07512	1.3
177.05473	6.6
179.03423	17.0
181.04993	2.1
181.06474	1.6
183.04433	2.1
185.06003	1.8
187.03880	6.8
187.07620	1.5
189.05447	4.6
191.03371	11.3
193.04964	3.3
197.05957	4.5
199.03940	2.6
201.05478	8.6
203.03389	16.5
203.07076	2.1
205.04984	3.6
213.05435	4.4
215.03419	3.2
215.07008	3.1
217.04993	3.6
219.06535	1.3
225.05510	3.0
227.03441	1.2
229.04987	10.5
231.06506	3.2
233.04407	4.4
237.05513	2.2
241.04887	3.2
243.06512	5.4
245.04475	68.6
247.06024	47.0
253.04951	2.5
255.06500	3.6
257.04465	15.7
259.06012	10.3
261.07660	2.4
263.05457	12.2
263.08002	1.1
265.04993	2.3
267.06555	1.3
269.04553	5.2
271.06021	20.6
273.07687	1.7
274.04803	4.2
275.05484	20.2
279.06494	1.0
283.06088	13.8
285.03949	2.1
286.04721	1.5
287.05511	32.3
288.05597	0.9
289.03827	1.8
289.07089	32.6
291.08652	6.4
295.06015	2.5
297.03955	2.2
299.05527	7.8
301.07095	12.7
305.06689	3.9
307.08286	9.6
309.03946	2.6
311.05499	1.4
313.07080	2.2
317.06558	1.0
321.07733	1.1
323.05484	3.0
327.04980	1.2
329.06589	1.5
331.08081	2.6
337.07043	1.1
351.05045	2.2
361.06946	1.9
363.04709	1.4
363.08746	1.2
365.06299	1.3
377.06589	1.0
379.08096	2.7
383.07642	3.0
389.06586	2.9
391.08133	1.8
393.05890	4.4
395.07596	1.4
397.09137	5.0
401.06735	1.0
405.05911	3.0
407.07666	25.5
409.09216	22.0
411.10901	1.3
413.08115	2.5
417.05777	1.0
419.07672	5.5
421.09177	1.2
425.08646	15.7
427.10294	16.0
431.07684	1.1
433.09335	1.5
437.08707	9.3
439.10220	1.7
443.09854	4.4
449.08670	4.8
451.10263	5.7
455.09979	1.2
467.09573	2.1
517.11487	1.8
527.09479	2.6
533.10846	1.0
535.12482	1.8
541.11462	1.1
545.10541	3.1
551.11676	1.1
557.10944	1.7
559.12366	1.4
561.09717	2.3
577.13019	1.2
579.14630	3.7
595.14246	2.5
605.12726	1.3
695.13605	1.4
713.14673	3.9
715.16321	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	882.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
66.85153	0.8
67.05177	1.4
67.05508	18.3
69.03444	1.5
69.07074	11.2
69.41506	6.7
70.07863	0.8
71.04990	2.5
71.08637	16.4
73.02918	2.6
74.09701	0.9
79.05500	9.2
81.03408	3.8
81.07058	51.7
83.04964	3.9
83.08627	11.7
85.02911	9.2
85.06543	3.8
85.10181	8.1
87.04465	1.5
89.05997	1.5
91.03965	6.6
91.05483	12.8
93.07047	6.9
95.04974	2.6
95.08615	23.6
96.93224	0.9
97.02900	4.6
97.06529	5.0
97.10170	3.2
98.20789	2.0
99.08099	2.4
101.06009	1.0
105.07040	22.9
107.08588	7.9
109.06524	3.1
109.10160	7.4
111.08089	1.5
111.11690	0.8
119.08582	17.4
119.09378	1.6
120.08860	0.9
121.10145	10.7
123.08061	2.7
123.11706	22.7
127.03944	2.3
127.07611	1.3
131.08557	2.1
133.10143	1.8
137.13237	2.4
141.09077	0.9
145.04976	2.6
147.11690	44.5
157.10210	1.5
163.06030	3.2
165.12764	18.2
175.11165	2.1
193.12236	2.7
211.13336	2.3
229.14262	2.5
239.23622	1.1
257.24826	1.2
267.15933	73.4
285.16977	86.7
286.17505	1.4
286.49225	0.9
313.27377	86.3
314.27817	1.9
331.28436	2.4
505.38391	1.8
523.39960	100.0
524.40375	1.8
582.94794	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	0.8
67.05506	14.7
69.03434	2.9
69.07069	6.7
69.92558	0.3
69.92939	0.3
71.01356	0.2
71.05000	2.6
71.08633	15.5
73.02919	2.7
73.06557	0.3
75.04491	0.3
77.03934	0.2
79.05494	10.8
81.03418	33.0
81.07057	20.2
81.28410	0.2
83.04482	0.4
83.04982	7.9
83.08619	18.5
84.18147	0.2
85.02905	22.2
85.06529	1.4
85.10182	9.9
87.04474	0.5
87.62888	0.2
89.06030	1.2
91.03957	6.7
91.05482	14.9
91.94450	0.2
93.07047	7.7
93.07635	0.4
95.04971	13.0
95.08606	15.1
96.04497	0.3
97.02283	0.4
97.02895	6.1
97.06528	2.3
97.10177	5.2
98.21436	0.2
99.04481	1.0
99.08080	1.0
99.11736	0.6
101.02355	0.2
103.05471	0.3
103.07582	0.8
105.04530	0.2
105.07030	11.3
107.04967	3.6
107.05698	0.2
107.08598	4.3
109.02888	0.5
109.06526	2.6
109.10156	6.1
111.04432	1.5
111.08083	6.0
111.11726	0.6
113.06015	1.3
115.03951	0.3
115.05456	0.7
116.06203	0.3
117.07033	0.8
117.09109	0.3
117.26081	0.2
119.04915	0.4
119.08582	9.9
121.06507	0.4
121.10146	5.3
121.11044	0.3
123.08069	1.4
123.11706	3.4
125.09640	0.6
125.13258	0.3
127.03907	2.2
127.07564	0.5
128.06223	0.5
129.05554	0.3
129.07004	5.4
129.07919	0.4
131.08569	6.2
133.06511	1.7
133.10136	6.9
135.11705	0.4
136.11127	0.2
137.09578	0.9
137.13234	0.9
142.07791	1.7
144.06548	0.2
145.04961	2.6
145.10123	0.9
147.08083	1.6
147.11687	8.7
147.36957	0.2
149.09625	3.9
151.11232	0.4
151.14793	0.5
157.10132	8.7
163.06030	3.2
163.11171	0.7
165.12770	2.1
175.11189	9.4
178.48970	0.2
179.17967	0.2
179.50153	0.2
180.08672	0.4
193.12244	25.3
194.12587	0.2
211.13292	41.6
212.13608	0.2
221.22670	0.4
239.23706	1.4
249.14893	0.5
257.24777	1.4
267.15921	17.0
268.16318	0.2
273.18811	0.2
285.16962	60.5
286.17294	0.7
291.19461	0.3
292.19821	0.2
293.64880	0.2
304.63095	0.2
313.27359	61.0
314.27863	0.9
429.21622	0.3
505.38873	14.7
506.39120	0.2
523.39948	100.0
524.40289	2.0
667.43542	0.4
752.27606	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	882.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.6
67.03574	0.3
67.05507	8.4
69.03441	1.6
69.07074	3.9
69.29337	2.5
71.04987	1.2
71.08636	9.5
73.02921	1.6
79.05495	5.7
81.03424	22.5
81.07059	12.8
83.04985	4.3
83.08621	11.9
85.02911	11.3
85.03284	0.2
85.03435	0.4
85.06541	1.0
85.10189	6.8
87.04470	0.4
89.06020	0.5
91.03956	2.4
91.05487	7.2
93.07053	4.9
93.73113	0.3
95.04977	7.9
95.08610	9.7
96.04498	0.3
97.02893	3.4
97.06523	1.1
97.10172	2.9
99.04449	0.5
99.08101	0.6
101.06002	0.3
103.07598	0.5
105.07030	5.9
107.04960	1.6
107.08601	2.5
109.02889	0.3
109.06528	1.2
109.10155	4.4
111.04452	1.0
111.08089	4.7
113.06017	0.9
115.05449	0.4
117.07025	0.4
119.08592	6.1
121.06486	0.5
121.10140	3.2
123.08102	0.6
123.11712	2.5
125.05994	0.3
125.09632	0.7
127.03948	1.0
129.07018	3.2
131.08588	3.7
133.06491	0.9
133.10141	3.4
135.11736	0.8
137.09618	0.7
137.13292	0.7
142.07779	0.5
145.04985	0.9
145.10141	1.1
147.08081	1.1
147.11688	5.1
149.09645	2.2
157.10143	5.4
163.06013	1.2
163.11186	0.7
165.12758	1.4
175.11191	6.3
193.12251	20.8
211.13301	24.9
212.13760	0.3
227.12801	0.4
239.23769	1.5
249.15100	0.4
257.24805	1.0
267.15921	10.8
283.15558	0.8
284.15854	0.8
285.16977	25.3
286.17410	0.3
313.27377	35.0
314.27692	1.3
315.28198	0.6
429.21222	0.7
449.92697	0.3
505.38943	8.2
522.38629	0.7
523.39972	100.0
524.40289	2.2
667.44116	0.9
718.47559	0.3
914.07800	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68648	0.2
64.34100	0.2
65.03938	0.7
67.05508	14.3
69.03438	2.2
69.07071	7.8
69.82787	1.2
71.04996	2.1
71.08634	17.5
73.02917	2.1
73.06556	0.3
78.05724	0.2
79.05497	9.2
81.03422	29.1
81.07059	19.0
83.04986	6.3
83.08620	16.2
85.02908	16.8
85.06543	1.1
85.10186	11.3
87.04466	0.8
89.06042	0.9
89.75357	0.2
90.60075	0.2
91.03962	5.1
91.04898	0.6
91.05482	13.6
93.07050	8.2
95.04972	10.9
95.08610	17.4
96.04492	0.5
97.02894	5.7
97.06532	1.8
97.10174	4.8
99.04487	0.5
99.08111	0.6
99.11736	0.6
101.05997	0.3
103.07583	1.0
105.04549	0.3
105.07037	9.5
107.04961	3.3
107.08595	3.7
107.77770	0.2
109.02931	0.3
109.06525	2.1
109.10157	7.3
111.04425	1.1
111.08084	4.5
111.08778	0.4
111.11736	0.9
112.08403	0.2
113.06015	1.2
113.13344	0.2
115.03931	0.4
115.05453	0.6
117.07035	1.0
119.04915	0.3
119.08587	8.1
119.42628	0.2
121.06512	0.9
121.10147	4.5
123.08077	1.1
123.11703	3.3
125.09681	0.6
125.13268	0.3
127.03936	1.9
127.07610	0.5
129.07011	5.1
131.08572	5.6
133.06491	1.1
133.10130	6.3
135.08080	0.3
135.11713	0.5
137.09642	1.0
137.13268	1.0
142.07793	1.1
145.04935	1.8
145.10126	0.7
147.08075	1.8
147.11699	6.7
149.09619	3.2
151.11186	0.3
151.14835	0.4
157.10130	6.8
163.05994	2.2
163.11253	0.7
165.12761	1.6
175.11197	7.1
193.12251	21.2
211.13300	22.4
213.64000	0.2
219.20924	0.2
221.22632	0.4
239.23657	1.3
249.14771	0.4
253.14302	0.2
257.24774	1.8
266.24493	0.2
267.15921	12.5
272.01331	0.2
274.71005	0.2
276.40967	0.2
285.16974	34.1
286.17389	0.2
310.00531	0.2
313.27368	67.4
314.27679	1.1
505.38879	17.0
506.39066	0.4
523.39960	100.0
524.40393	2.4
587.39191	0.2
667.44336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	23.3
69.03428	5.2
69.06728	1.0
69.07072	12.1
71.04993	4.7
71.53835	0.8
73.02895	1.2
79.05496	25.6
80.05814	0.9
81.03419	58.1
81.07062	25.4
83.04987	10.8
83.08619	13.9
85.02909	24.6
85.06539	3.1
87.04473	0.9
91.03955	4.5
91.05486	26.2
93.06483	1.4
93.07041	21.4
95.04976	16.6
95.08001	0.8
95.08604	14.5
95.55781	0.7
97.02898	5.4
97.06541	4.5
97.10186	3.5
99.04496	1.1
99.08047	1.2
105.04527	1.0
105.07034	17.4
107.04972	5.9
107.08591	11.3
108.12868	0.8
109.06504	4.0
109.10162	5.6
111.04420	2.0
111.08089	6.0
111.08745	0.9
113.05998	1.6
115.05467	1.3
117.07034	3.7
119.08584	20.6
121.06501	8.0
121.10155	8.1
123.08060	3.6
123.11691	1.6
127.03922	2.7
129.07042	6.7
131.08583	11.9
133.06485	1.9
133.10126	11.1
135.08054	2.0
135.11687	2.6
137.09590	2.8
142.07777	1.5
143.08574	2.8
145.04950	1.5
145.10138	1.6
147.08054	3.2
147.11699	10.9
149.09607	4.0
149.13217	1.2
151.11145	1.0
157.10121	9.5
159.11688	2.8
161.09636	0.8
161.13184	1.0
163.05997	1.9
163.11212	1.0
165.12744	2.3
175.11201	8.1
175.14830	3.6
185.13226	5.7
193.10469	1.0
193.12242	21.5
193.15858	2.3
203.14412	1.6
211.13300	37.2
221.15369	31.7
221.17607	1.2
239.16432	45.0
249.14772	1.0
267.15927	22.5
269.17526	1.9
285.16968	48.0
295.19043	15.7
313.20102	27.3
313.23770	1.1
376.56494	0.9
395.25647	2.6
413.26758	2.2
422.54733	0.8
431.27679	1.2
461.28772	4.1
469.29810	1.3
479.29938	2.2
487.30557	28.4
505.31647	31.9
523.32690	100.0
524.32941	1.4
635.12646	0.9
635.30841	0.9
663.41754	0.9
667.36047	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02947	2.6
65.03938	1.2
67.05511	17.6
69.07079	5.6
70.11189	1.4
71.04996	1.0
71.08639	11.1
72.08160	0.9
73.02915	1.0
73.06577	0.7
74.41622	0.4
78.77476	0.4
79.05500	23.4
79.11663	0.5
81.03434	2.9
81.07064	20.4
83.04980	4.2
83.08630	6.0
83.26617	0.4
85.02912	3.3
85.06550	1.6
85.10193	5.0
90.31526	0.4
91.03963	1.8
91.04914	0.7
91.05488	19.0
93.07053	22.1
93.34310	0.5
95.04970	6.7
95.08616	15.4
97.02922	1.8
97.06543	1.0
97.10173	2.8
99.08095	0.6
105.04557	1.1
105.07048	13.5
107.04984	1.6
107.08598	5.5
109.06510	2.4
109.10170	5.5
111.08109	0.7
116.66569	0.4
117.07036	2.9
119.07803	0.8
119.08595	8.7
121.06547	1.1
121.10173	1.5
123.08078	1.8
123.11726	1.6
127.03930	0.5
127.07600	0.5
128.06274	0.6
129.07010	6.6
131.08577	0.9
133.06593	0.6
133.10149	3.2
135.11769	0.7
143.08566	3.4
145.10139	4.4
147.08078	0.7
147.11708	13.1
156.09387	0.5
161.09662	1.3
161.13245	4.7
163.06033	0.6
171.11707	9.1
189.12758	3.5
207.13821	11.5
213.96864	0.4
239.23749	0.6
257.24869	1.0
281.17499	45.5
282.17816	0.7
313.27393	35.6
477.04596	0.5
519.40503	100.0
520.40613	2.3
537.41632	0.7
670.11591	0.5
857.89374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	3.0
65.03930	0.5
67.05505	13.5
69.03394	1.6
69.07065	7.6
70.42198	0.4
71.04958	1.7
71.08631	16.8
73.02885	1.4
79.05495	13.3
79.05945	0.4
81.03376	1.9
81.03793	0.5
81.07056	17.5
83.04969	2.5
83.08163	0.8
83.08617	10.6
85.02901	3.2
85.06522	1.1
85.10182	9.9
89.06004	1.4
91.03913	2.0
91.05484	4.8
91.36765	0.4
93.07045	19.7
95.04974	3.6
95.08607	30.4
97.02891	3.7
97.06533	2.4
97.10168	3.8
98.20752	1.3
99.04453	3.1
99.08096	0.6
99.11692	0.5
103.05416	0.5
103.07553	1.0
105.07031	4.6
107.04954	5.5
107.07893	0.9
107.08596	16.6
109.02834	0.5
109.06482	1.7
109.10157	7.1
109.77449	0.5
111.04429	0.8
111.08041	1.1
111.11710	1.5
114.18864	0.5
115.03888	0.4
117.07007	4.8
119.08588	6.3
121.06518	3.9
121.09363	0.6
121.10149	9.5
123.11676	2.4
125.05962	2.1
127.03930	0.5
129.06958	0.4
130.07735	1.0
131.08470	0.6
133.10100	2.4
135.08020	1.9
135.11691	36.3
136.12033	0.5
137.13258	0.8
139.07501	1.2
143.08574	0.5
143.71133	0.4
145.04970	1.1
145.06352	0.4
145.10123	21.4
145.11282	1.1
151.11177	0.8
153.12680	0.9
163.11180	49.5
173.09521	0.9
181.12233	9.3
209.11749	1.4
227.12782	51.7
239.23636	1.3
253.14310	1.9
257.24789	2.3
273.18591	0.7
283.15402	88.3
284.15741	0.7
291.19623	0.6
313.27359	83.0
314.27774	1.0
355.25647	0.5
365.23462	0.9
505.39197	0.7
506.39307	0.5
521.38397	100.0
522.38837	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	874.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	5.9
67.05506	38.0
69.03424	2.1
69.07073	10.7
71.01344	1.7
71.04987	1.9
71.53949	1.2
73.02917	2.0
79.05496	29.0
79.05972	1.4
81.03409	3.0
81.07058	27.9
83.04973	5.8
83.08619	3.9
85.02912	6.4
85.06540	1.2
90.52641	0.8
91.03950	3.4
91.05475	17.0
91.50381	0.9
93.07043	38.7
93.07640	1.9
95.04960	3.0
95.08608	18.5
97.02898	3.3
97.06541	7.2
97.10163	5.8
99.08065	1.8
105.04579	1.0
105.07027	8.7
107.08600	25.6
109.10159	9.6
111.08111	1.4
117.07014	5.0
119.08581	8.7
121.10146	13.7
123.08138	1.0
123.11708	1.9
125.07557	0.7
125.09609	1.4
127.03951	1.0
131.08585	4.5
133.10126	5.9
135.11685	29.2
137.09621	1.6
137.13240	0.9
145.04971	1.5
145.10135	7.0
147.11642	2.2
149.13248	3.0
151.11127	1.0
153.12781	1.6
159.11662	2.5
161.13243	2.1
163.06036	1.7
163.11169	2.5
163.14854	1.2
173.13306	2.5
181.12233	5.6
187.14929	1.2
199.13203	1.0
208.71257	1.0
219.94955	0.9
243.21103	3.4
253.14378	2.1
255.15921	50.1
261.22162	10.1
279.23370	1.0
317.24973	1.1
333.24399	1.0
335.25800	37.5
402.43472	0.9
423.32587	1.9
441.33542	2.2
497.36285	1.3
515.37335	100.0
516.37537	2.0
533.38385	2.9
686.79987	1.0
874.44861	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5525
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	2.2
65.03936	4.8
67.05513	100.0
67.71252	1.4
69.03422	7.3
69.06740	3.3
69.07078	43.8
69.26363	15.1
71.05003	8.1
71.08668	1.7
73.02917	1.5
77.26447	1.7
79.05503	60.3
81.03443	12.4
81.07063	90.8
83.04996	10.0
83.08628	27.7
85.02892	5.8
85.06544	8.8
86.09694	2.2
91.05489	55.4
93.07052	67.8
95.04975	10.2
95.08613	45.5
97.02869	3.1
97.06553	21.6
97.10190	16.5
98.21516	3.4
99.08083	3.2
105.04510	2.6
105.07037	49.4
106.43176	1.7
107.04398	1.6
107.04977	14.4
107.08608	49.7
109.02888	2.3
109.06522	11.9
109.10167	40.9
111.04445	2.6
111.08075	6.3
113.09672	2.5
114.17004	1.8
115.05431	2.3
117.07024	22.1
119.08591	37.0
121.06513	8.1
121.10146	23.0
123.08090	4.2
123.11694	7.3
125.09641	16.4
127.03940	2.1
129.07013	8.6
131.08580	25.4
133.06496	3.2
133.09132	1.9
133.10136	31.2
135.08099	8.6
135.11694	20.2
137.09621	4.2
141.06979	2.0
142.07788	2.8
143.08595	8.1
145.10141	24.6
147.08058	2.0
147.11693	15.0
149.09637	20.8
149.13295	12.1
150.75970	1.7
153.06958	2.2
153.09024	1.9
155.08540	5.4
155.10654	2.0
157.10147	9.5
159.11725	22.3
161.09627	3.8
161.13295	4.5
163.11206	11.0
163.14851	2.4
165.12805	2.8
169.10092	5.9
171.11685	6.2
173.11711	6.0
173.13260	8.4
175.11139	2.5
175.14668	1.7
177.12776	3.6
179.14320	1.7
181.10287	1.6
181.12160	2.2
183.11702	4.4
184.07397	3.7
185.13315	4.1
187.11171	3.6
187.14886	2.0
189.11305	8.6
189.12692	2.0
195.13805	4.0
197.13274	4.5
199.14853	2.3
201.12718	2.9
201.16347	2.7
227.12799	21.5
229.14328	22.7
229.19507	3.1
229.55263	1.7
239.17978	3.5
247.20528	2.1
255.15898	6.6
257.19043	13.6
264.74979	1.9
267.15906	3.6
269.17517	27.0
271.17355	1.8
275.20081	60.8
293.21130	6.1
323.56531	1.8
331.22665	5.3
334.95752	1.6
349.23755	51.2
367.24817	15.4
383.24060	1.8
399.23975	2.2
409.25757	4.7
413.21469	1.9
423.27414	15.3
431.27786	2.1
439.27011	1.8
449.29214	7.9
463.30542	26.0
469.33945	2.0
503.33716	22.6
519.33942	3.9
521.34827	5.6
525.35718	6.6
529.35181	5.7
531.39001	1.7
543.36877	55.3
547.36462	2.6
561.38123	12.6
600.92487	2.2
607.34534	2.9
623.43097	20.6
641.44366	17.0
659.43994	2.5
828.22736	1.9
836.49854	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5367
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	1.7
63.71380	1.4
65.03942	5.0
65.93139	1.3
67.05508	100.0
69.03425	3.5
69.07074	19.6
69.15825	15.5
71.04996	5.1
73.02921	4.7
73.75794	1.4
79.05499	59.0
80.06300	1.6
81.03418	13.7
81.07059	56.2
83.04974	9.7
83.08627	16.3
85.02919	11.3
85.06542	3.2
87.04467	6.3
90.15645	1.5
91.05489	64.2
93.07053	54.1
95.04986	9.4
95.08610	34.7
95.78759	1.3
97.02914	3.4
97.06548	7.1
97.10175	15.8
99.08109	2.7
103.05452	1.9
105.04506	1.8
105.07037	58.1
105.78505	1.5
107.04971	3.4
107.08600	28.7
109.06531	4.6
109.10162	62.3
111.08082	4.4
113.06005	2.0
115.05459	2.3
117.07027	22.7
119.08589	51.1
121.06522	2.9
121.10147	21.7
123.08120	5.0
123.11690	1.8
125.09642	15.8
128.06224	3.1
129.05475	4.9
129.07013	12.6
130.07845	2.4
131.08578	28.1
133.06503	2.1
133.10136	34.9
135.08061	3.3
135.11696	15.0
137.09608	4.1
139.11205	2.0
142.07814	2.1
143.08586	10.1
143.10620	1.8
145.06580	2.1
145.10136	25.8
146.08118	1.6
147.08052	2.7
147.11700	28.6
149.09633	4.4
149.13264	9.1
151.11235	1.7
153.12723	1.7
155.08580	4.1
155.10690	4.2
157.08847	1.8
157.10118	10.6
159.11697	16.8
161.09598	1.7
161.13278	16.9
163.11142	9.3
163.14809	2.7
169.10147	4.2
171.11700	11.0
173.09651	2.2
173.10333	1.9
173.11754	16.1
173.13283	11.6
175.11282	2.3
175.14839	7.4
177.12831	1.9
179.23108	1.4
181.10149	2.0
183.11723	4.5
185.13219	10.0
187.11137	1.6
187.14769	3.5
189.33496	1.4
191.14381	2.0
193.12270	2.7
197.13228	3.0
199.13206	7.1
199.14876	4.9
209.11693	3.1
213.16429	2.9
227.12691	6.7
229.14336	43.1
231.17445	2.7
231.21082	5.2
239.17880	1.9
241.19502	22.3
257.18988	5.0
259.20593	58.1
267.15891	4.0
275.20081	6.3
289.21667	1.7
295.20584	1.9
297.22098	2.4
301.16489	8.3
313.21756	3.2
315.23154	4.7
325.21631	3.1
331.22867	2.1
333.24237	49.9
335.25742	3.6
349.24081	3.3
369.29843	1.5
399.23849	16.7
475.34308	2.8
487.33997	6.4
504.34180	3.6
505.35291	3.9
541.35596	3.9
559.36938	3.7
577.37329	3.5
585.41461	4.0
657.43726	6.7
675.44208	4.8
874.14343	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5367
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	2.9
65.03936	5.8
67.05509	87.6
69.03426	15.9
69.07073	56.7
70.06582	2.2
71.01345	1.6
71.05000	19.1
71.52771	2.2
73.02908	2.6
77.03941	1.8
78.66625	1.3
79.05497	75.4
80.38850	1.4
81.03430	21.8
81.07062	100.0
83.04984	16.7
83.08628	20.9
85.02905	8.2
85.06525	5.1
86.09669	1.5
88.05196	1.2
88.59873	1.3
91.03979	1.5
91.04903	2.5
91.05484	67.0
93.07052	68.0
95.01335	1.4
95.04967	21.1
95.08614	39.2
97.02892	7.2
97.06537	63.8
97.10177	13.0
99.04473	3.1
99.08111	6.5
100.11268	1.6
103.05447	3.0
105.04545	2.9
105.07037	51.1
107.04968	17.4
107.08601	45.9
109.02866	2.7
109.06512	19.3
109.10155	22.8
111.04427	4.4
111.08097	10.0
113.06013	3.0
113.09656	1.4
115.05443	4.4
115.07574	16.6
117.07023	26.9
119.04964	1.7
119.08592	34.9
121.06506	11.1
121.10149	21.0
123.04417	3.0
123.08084	11.1
123.11686	5.2
125.09653	13.9
127.03896	4.8
127.07577	2.2
128.06186	2.7
129.05443	2.9
129.07005	12.2
130.07779	1.5
131.08577	28.1
133.06505	6.9
133.10133	31.2
135.08066	12.7
135.11687	15.2
137.06041	1.4
137.09608	5.4
139.07567	1.5
139.11174	1.4
141.06970	4.5
142.07712	2.8
143.08591	10.8
145.06451	3.5
145.10123	26.1
147.08066	6.3
147.11703	17.4
149.09630	11.5
149.13240	12.5
151.07590	2.0
151.11206	6.0
153.09081	2.4
153.55977	1.5
155.08537	4.7
157.10161	11.8
159.08067	4.5
159.11676	17.3
161.09628	7.7
161.13255	6.5
163.07549	1.7
163.11172	11.4
165.09160	2.0
165.12732	1.7
167.08611	2.3
169.10161	6.5
171.11652	9.3
173.04474	4.9
173.09596	3.7
173.11870	2.1
173.13278	7.3
175.11195	3.2
175.14824	2.2
177.09145	1.3
177.12790	7.0
179.14265	2.5
181.10132	3.1
181.12224	3.5
183.11684	4.1
185.13275	4.2
187.11220	3.6
187.14793	2.4
187.75146	1.3
189.11296	7.0
193.12189	3.0
195.11746	1.9
195.13805	6.4
197.13235	4.4
199.14833	3.6
201.12825	2.7
207.11697	1.7
207.13850	1.5
209.13239	2.6
209.85060	1.3
213.16486	2.3
215.14406	2.2
217.15889	6.3
221.15407	3.4
223.13225	3.5
227.12733	13.7
227.17978	2.8
229.14223	6.6
229.19630	1.7
231.13657	1.4
233.15388	3.6
237.16374	2.1
239.17989	2.4
245.13837	1.8
245.18991	5.6
247.17085	1.7
247.20474	1.8
249.14888	2.4
253.14311	6.5
255.15923	7.4
257.18854	6.4
259.20575	2.9
263.19980	2.1
267.15958	3.7
269.17514	33.2
270.17853	1.5
273.18521	28.2
275.20078	30.1
277.21390	1.4
283.20441	1.7
291.19540	34.0
293.21054	3.0
297.16873	1.8
307.18903	1.9
309.20630	1.6
331.22684	2.0
347.22229	10.6
349.23770	24.3
365.23242	21.4
367.24905	3.0
375.26715	1.3
383.24176	5.4
439.27213	1.9
445.29599	1.3
449.29492	3.7
461.29279	2.3
463.30670	7.3
501.32520	2.3
513.35443	2.4
519.33087	10.3
523.22455	1.4
523.33746	1.6
527.33521	2.0
541.35095	5.8
543.36725	10.7
545.34711	4.6
547.38177	1.5
559.36273	25.0
563.35602	2.5
577.36798	6.2
621.41699	3.5
639.42792	12.3
657.43793	8.5
675.43640	1.5
747.64386	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	2.5
65.03925	1.2
65.56101	0.7
66.73102	0.7
67.05177	1.0
67.05507	13.0
69.03419	2.6
69.07072	3.0
70.06160	2.1
70.06561	1.6
71.04967	2.0
73.02883	0.8
79.05492	15.2
81.03419	58.7
81.07056	14.1
83.04982	7.3
83.08150	1.1
83.08619	17.7
85.02908	9.7
85.06564	1.1
91.03949	2.1
91.05481	17.0
92.55341	0.6
93.07045	10.2
95.04971	19.6
95.08613	5.3
97.02879	4.0
97.06530	1.9
97.10165	4.1
105.07037	13.0
107.04948	6.0
107.08607	5.7
109.06556	3.2
109.10143	3.4
111.04463	1.5
111.08086	6.8
113.05994	1.6
115.05436	1.3
117.07017	2.6
119.04987	1.2
119.08580	12.2
121.06528	3.2
121.10149	6.3
123.04473	1.0
123.08063	2.3
125.09615	3.4
127.03923	0.9
129.07011	8.6
131.04903	0.9
131.08556	8.4
133.06447	3.0
133.10118	6.3
135.08064	1.2
135.11682	0.7
137.06036	0.6
137.09587	1.4
139.03876	0.9
142.07771	2.4
143.08504	1.0
145.06477	3.7
145.10118	2.5
147.04402	2.2
147.08051	3.3
147.11691	10.1
149.09613	3.2
155.08545	1.8
157.06409	0.9
157.10121	11.0
159.08061	1.1
159.11775	0.7
163.11169	2.2
165.12799	1.6
169.10181	1.3
171.08040	0.8
171.11658	1.3
173.09712	0.7
175.11230	9.5
187.11302	0.7
189.11255	1.2
193.12248	27.9
195.11731	1.3
211.13281	12.2
227.12651	0.8
229.14374	0.9
233.15411	1.4
235.13264	0.7
237.12714	1.5
249.14886	2.4
255.13713	2.0
259.13171	1.0
259.15656	0.9
267.15918	100.0
273.14853	3.6
285.16946	13.1
287.16479	0.8
301.14453	0.9
309.17105	0.7
313.21790	0.7
339.23276	0.8
341.21237	1.9
349.21606	2.1
367.22690	6.5
385.23730	8.9
403.24713	2.8
405.24203	1.1
415.24734	1.0
433.25858	17.3
441.26389	6.8
459.27417	81.0
460.27808	1.2
465.27045	0.6
477.28476	51.5
495.29614	2.7
501.28293	2.1
519.29535	2.7
543.29663	1.4
567.28998	1.0
573.30652	1.0
585.30530	2.7
603.31543	2.0
621.32465	1.1
816.38074	0.7
857.15857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.5
65.03938	1.5
66.04709	0.3
67.05505	26.4
69.03434	2.0
69.07071	8.6
70.06598	0.3
71.01353	0.6
71.04987	2.8
71.26187	0.3
71.26514	0.3
73.02914	1.1
77.03912	0.3
79.05492	16.0
81.03418	45.4
81.07056	36.1
82.07359	0.3
83.04978	4.9
83.08619	16.9
85.02904	3.3
85.06541	2.5
91.03960	1.7
91.04903	0.4
91.05483	13.0
93.07043	27.4
94.07398	0.2
95.04970	14.7
95.08607	8.9
95.09233	0.2
97.02895	2.6
97.06527	6.2
97.09647	0.3
97.10159	1.6
99.04450	0.6
99.08102	1.7
100.85155	0.2
105.04513	0.5
105.07034	8.3
107.04958	3.1
107.08596	14.3
109.02922	0.3
109.06523	2.7
109.10172	2.5
111.04445	1.0
111.08080	7.1
111.11720	0.4
113.06032	0.3
113.09667	0.5
115.05450	1.1
115.71458	0.2
117.07020	4.2
119.04942	0.9
119.08585	7.6
121.06494	2.6
121.10146	10.9
123.04433	0.8
123.08097	0.7
123.11684	1.2
125.09626	1.1
127.03901	0.6
127.07549	0.3
128.06230	0.6
129.07010	4.7
129.50822	0.3
131.08562	8.5
133.06519	1.9
133.10135	6.2
135.08072	1.7
135.11690	4.4
137.09608	1.0
139.07603	0.3
139.11201	1.0
142.07782	1.2
143.08578	0.6
145.04973	0.7
145.06477	0.5
145.10098	1.2
147.04428	1.7
147.08040	1.8
147.11696	4.8
149.09624	4.1
149.13261	18.3
150.13565	0.3
151.07480	0.3
151.11185	0.6
153.09108	0.4
155.08507	0.3
157.10124	6.2
157.11313	0.4
159.11688	7.0
161.06105	0.3
163.06004	0.8
163.11142	1.2
165.12772	1.0
167.14337	0.4
169.10245	0.3
171.11635	0.4
173.09625	0.4
175.11185	6.4
177.12758	3.5
187.11278	0.3
189.12737	0.5
193.12251	15.8
195.13811	4.5
205.12276	0.5
211.13226	1.4
213.12814	0.4
213.14833	0.4
223.13234	0.4
231.13774	0.5
235.13297	0.5
237.14975	0.3
246.80153	0.3
249.14853	1.2
259.05011	0.2
259.13269	0.4
265.72241	0.2
267.15915	46.3
268.16187	0.6
269.17474	41.4
270.17786	0.3
273.14841	0.4
285.16919	0.5
301.14331	0.8
309.16766	0.4
333.16486	0.3
343.22794	0.5
351.23224	0.4
369.24045	0.7
387.25214	0.5
417.26508	0.7
435.27396	5.5
443.27798	1.0
452.18045	0.2
461.28992	100.0
462.29367	2.6
475.30325	0.3
479.30066	3.5
493.31711	0.4
503.30014	3.4
511.32700	0.7
527.30157	0.6
545.30768	0.4
557.30896	0.9
569.30859	1.5
587.32178	1.6
590.39978	0.2
605.33148	0.9
623.34357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	3.5
64.39822	1.6
65.03966	3.1
67.05511	58.4
67.24113	1.6
67.71776	1.9
68.20126	1.9
69.03440	15.5
69.07080	14.8
70.06608	4.1
71.04993	7.9
71.52663	3.3
72.28384	2.1
73.02905	2.0
79.05496	47.8
81.03422	73.9
81.07059	62.1
83.04992	18.0
83.08629	21.2
85.02911	15.5
85.06561	3.9
86.09705	2.8
91.03960	3.0
91.05482	43.0
93.07047	49.2
95.04983	30.9
95.08617	39.4
97.02900	20.0
97.06532	7.6
97.10177	7.4
99.04454	5.3
101.02407	2.8
105.04524	2.1
105.07037	32.0
107.04957	6.4
107.08593	28.2
109.02879	11.5
109.06530	6.2
109.10162	13.9
111.04452	8.0
111.08097	5.1
115.05484	1.9
117.07030	10.1
117.18130	2.0
119.08583	26.8
119.09362	2.3
121.06502	3.3
121.10151	25.2
123.04469	5.3
123.11707	7.1
125.09641	4.5
127.03925	11.1
128.06267	2.4
129.05505	3.5
129.07040	10.1
131.08585	20.5
133.06485	3.4
133.10147	17.6
135.08072	2.8
135.11685	9.8
136.49771	1.9
137.09621	2.2
137.13208	1.9
137.54590	1.9
139.23984	1.9
142.07748	2.4
143.08609	2.6
145.10118	11.1
147.08047	4.6
147.11722	19.2
149.09641	7.1
149.13245	5.1
153.12782	2.2
155.08514	3.0
157.10144	13.1
159.11690	6.7
161.09573	2.4
161.13269	4.3
163.11182	4.2
165.12840	3.5
171.11627	4.6
173.04500	6.3
173.13315	3.8
175.11171	12.8
177.12743	2.5
193.12268	29.7
199.11362	3.2
211.13289	38.1
227.12662	4.6
229.14436	3.2
259.13321	3.1
261.22171	7.3
267.15958	15.2
275.20010	2.5
280.62381	2.2
283.15430	2.4
285.17007	19.7
301.14224	4.8
309.17023	3.7
319.15466	2.8
335.25827	51.8
337.16379	2.3
355.17636	3.5
369.24246	3.2
380.31857	2.2
388.65256	2.2
393.19232	2.2
411.20181	4.6
426.14539	1.8
429.21198	18.9
466.16125	2.2
527.37482	16.3
542.48804	2.1
545.38446	100.0
546.38770	2.6
569.38318	8.9
623.39606	2.5
635.39313	6.0
649.50842	2.3
653.39972	4.8
671.41339	7.8
689.42670	26.7
869.41589	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	869.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	3.5
65.03943	2.9
67.05506	56.3
67.08693	1.3
69.03430	17.9
69.07069	16.7
71.04981	6.8
73.02913	2.1
79.05497	48.6
81.03421	65.4
81.07058	54.4
83.04981	18.1
83.08617	18.1
85.02904	18.5
85.06511	2.6
86.09692	1.6
91.03903	1.6
91.05486	38.2
93.07043	42.2
95.04973	23.0
95.08614	34.5
97.02894	16.8
97.06525	6.4
97.10149	6.0
98.21521	3.6
99.04461	4.6
99.08105	1.2
105.04520	1.6
105.07034	28.5
107.04934	5.4
107.08595	21.7
109.02872	9.8
109.06503	4.8
109.10155	13.2
111.04440	7.2
111.08088	8.5
113.06015	1.3
115.05383	1.1
115.74480	1.4
117.07030	7.1
119.04934	1.4
119.08585	19.3
121.06479	2.8
121.09353	1.6
121.10153	19.2
123.04395	1.8
123.08080	2.5
123.11693	5.1
125.05840	1.1
125.09632	3.6
127.03922	10.5
128.06229	1.6
129.05466	3.8
129.07022	10.0
131.04929	1.8
131.08577	14.8
133.06474	4.0
133.09190	2.3
133.10103	12.1
135.08029	2.2
135.11668	9.6
137.09680	2.0
139.03946	1.5
141.07031	1.3
142.07768	1.5
143.08559	3.8
145.06549	1.3
145.10143	9.3
147.08008	2.6
147.11697	18.3
149.09590	4.8
149.13274	5.5
153.12766	1.2
155.08623	1.6
157.10153	8.7
159.07970	1.2
159.11662	4.3
161.13225	3.4
163.11241	1.8
165.12758	3.3
169.10170	2.0
171.11662	2.6
173.04459	5.1
175.11162	11.0
175.14839	1.6
183.06454	1.4
185.13319	1.9
187.14748	1.8
189.12766	1.5
191.10625	1.5
193.12253	29.4
197.13235	1.2
199.11111	1.6
201.16493	1.4
204.37387	1.4
211.13309	37.0
227.12717	3.3
229.14294	4.5
235.13258	1.6
261.22180	5.5
267.15933	17.0
273.14923	1.9
275.19766	1.4
278.15302	1.1
285.16992	16.5
309.16656	1.9
319.15311	1.5
323.23587	1.3
335.25815	59.8
337.16486	1.8
351.23288	2.2
355.17532	1.7
369.24142	2.8
387.25171	1.4
393.18713	1.8
398.57281	1.2
405.26050	2.2
411.19962	4.1
429.21323	15.0
461.28882	1.7
479.30569	1.8
527.37347	15.6
538.32813	1.6
545.38397	100.0
546.38715	2.6
569.38367	2.6
607.40497	1.5
611.38727	1.5
653.40009	3.3
671.41931	5.7
689.42645	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	868.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	8.6
65.03936	9.8
67.05509	93.8
69.03423	12.2
69.07072	45.3
70.06587	4.5
71.05000	36.4
71.08631	4.1
71.54067	4.3
79.05498	92.5
81.03412	13.2
81.07063	99.7
81.16756	3.7
83.04987	9.3
83.08620	30.3
85.02908	11.7
85.06561	5.9
87.11230	3.6
91.03972	4.7
91.05486	97.0
93.07050	100.0
95.04980	20.4
95.08609	72.6
97.02897	12.6
97.06542	14.1
97.10185	14.8
99.04467	5.0
99.08088	6.1
105.07037	89.4
107.04964	9.8
107.08609	64.6
109.02801	4.1
109.06538	9.8
109.10160	30.1
109.41711	3.8
111.08101	10.3
117.07039	37.7
119.08583	63.3
121.06504	5.2
121.10133	42.5
123.08083	5.9
123.11698	8.2
125.09640	12.5
127.03939	7.5
127.15859	3.4
128.06218	6.3
129.05498	7.7
129.06992	19.5
131.08572	43.6
133.10136	63.7
135.08072	6.8
135.11716	25.5
137.09631	12.2
141.06961	8.4
143.08572	18.6
145.10156	46.0
147.08043	8.7
147.11696	48.1
149.09642	16.3
149.13275	18.5
155.08543	9.2
157.10121	29.3
159.11710	36.3
161.13229	29.1
163.11176	8.5
163.14807	5.5
165.12750	4.5
169.10129	13.6
171.11719	22.3
173.13208	21.8
175.11163	6.3
175.14893	9.9
177.12775	9.4
179.14407	5.2
181.10141	4.8
181.12247	4.9
181.27422	3.9
181.32834	4.4
183.11719	15.5
185.13286	15.6
187.11240	4.5
187.14841	7.0
189.11224	5.3
193.12201	5.6
195.11646	5.7
197.13290	9.0
199.14842	13.1
209.13281	6.4
211.13257	4.9
211.15002	4.8
213.16550	5.9
227.12799	15.4
227.18036	5.4
231.21107	9.0
239.17978	8.4
241.19626	22.7
245.53769	4.5
251.17995	4.7
253.14427	9.3
255.15907	15.3
257.19049	14.2
259.20578	65.5
261.22226	4.9
267.16104	6.9
269.17450	32.1
271.20383	4.3
273.18625	4.7
275.20108	41.8
277.21347	4.9
285.17068	6.4
291.19797	3.7
297.21881	4.6
299.25809	6.4
308.01678	3.6
312.18411	6.1
315.23203	11.8
328.98920	5.5
333.24274	85.2
335.25818	6.0
337.21411	4.8
349.23764	40.6
351.25244	4.6
367.24750	6.8
421.30872	6.6
435.32611	7.9
471.34811	5.0
497.36606	7.0
509.37878	11.8
513.35852	48.2
515.38336	9.5
525.35956	8.2
527.37329	65.4
531.37396	5.1
533.40076	8.6
541.38843	4.1
543.36279	7.3
545.38318	10.8
597.45795	4.6
607.43683	62.7
625.44727	70.5
642.46191	23.1
769.48322	5.2
868.46161	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	867.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	11.9
65.03926	2.3
65.06876	1.0
67.05511	33.7
69.03435	17.4
69.06736	1.2
69.07078	11.9
71.01374	2.3
71.04996	5.7
71.08653	1.1
71.53214	1.3
73.02926	6.1
79.05499	29.8
81.03421	40.2
81.07063	29.5
81.08852	0.9
83.04982	13.7
83.08626	13.4
85.02911	20.6
85.06538	2.3
91.03970	6.0
91.05482	31.8
93.07048	28.2
95.04977	10.1
95.08610	18.8
97.02895	19.2
97.06520	7.3
97.10166	7.9
99.04459	5.1
99.08101	1.8
101.02409	1.6
103.03957	1.5
103.05457	1.0
105.06322	1.5
105.07033	29.7
107.04951	7.4
107.08607	20.0
109.02882	6.0
109.06527	4.6
109.10167	13.0
111.04442	6.2
111.08099	4.9
113.05991	1.0
115.03938	1.5
115.05428	2.3
117.07027	12.3
119.08588	26.5
121.06512	4.6
121.10158	12.6
123.04414	1.3
123.08051	4.2
123.11722	2.7
125.09640	7.1
126.49753	1.0
127.03915	8.6
128.06224	3.2
129.05482	2.9
129.07004	16.2
131.04907	1.4
131.08569	20.4
133.06494	2.8
133.10136	16.0
135.08046	3.4
135.11671	5.9
137.09593	3.9
141.07014	4.1
142.07767	3.4
143.08572	13.0
145.04939	3.2
145.06483	3.0
145.10123	18.2
147.08060	3.5
147.11694	15.8
149.09595	2.9
149.13263	3.7
151.11230	2.1
153.06982	1.0
153.09192	1.3
153.12752	1.7
155.08534	7.9
156.09421	1.3
157.10139	14.2
159.08083	3.1
159.11705	12.2
161.09627	1.8
161.13252	6.7
163.05991	1.1
163.11192	5.1
165.06981	2.1
165.12720	2.0
167.08627	4.8
169.10144	10.6
171.08057	2.8
171.10310	1.1
171.11717	13.8
173.04483	11.0
173.09613	2.8
173.11864	1.8
173.13173	6.6
175.11220	5.1
175.14835	2.7
177.12758	1.5
179.08556	1.8
181.10132	5.5
181.12244	3.2
183.10185	1.5
183.11691	8.9
185.09723	1.8
185.13301	9.2
187.11234	3.4
187.14822	3.3
189.11201	1.7
189.12717	1.6
191.10641	2.8
193.10541	1.5
193.12218	10.5
195.11717	5.5
196.45233	1.0
197.09543	1.7
197.13222	4.8
199.11115	2.1
199.14815	3.9
201.12775	1.8
203.14392	1.0
205.10132	1.2
207.11742	2.9
209.09610	1.5
209.13374	5.0
211.11359	1.9
211.13300	11.4
211.14955	2.2
213.12614	2.3
214.56772	1.2
215.14349	1.1
217.15875	1.2
219.11697	1.6
221.13309	2.2
223.14792	3.7
224.30388	0.8
225.12823	2.3
225.16389	1.2
227.12685	6.8
229.14377	4.3
231.06767	1.4
233.13284	1.9
235.14824	1.4
237.12709	1.5
237.16518	1.9
239.14375	1.8
241.16028	1.3
241.19504	4.1
253.19571	1.1
255.17473	1.0
257.19043	1.9
259.20526	8.2
261.22214	1.1
267.09116	1.9
267.15942	4.5
271.08432	1.0
273.22336	1.2
275.20114	1.9
279.21008	1.4
283.15424	2.2
283.20520	1.7
285.10178	2.5
285.16861	5.0
295.20731	1.6
297.22025	2.7
299.20135	1.9
299.23679	3.9
301.21695	2.3
303.64404	1.1
309.22202	1.2
311.20001	2.1
313.21655	1.7
315.23297	3.0
325.21664	2.3
327.23239	1.5
333.24258	8.0
339.23172	1.4
345.24426	1.2
349.21515	1.9
355.17526	1.6
357.24084	1.9
367.22418	4.6
371.25940	1.5
385.23840	2.2
403.24579	1.7
415.29755	1.9
417.26035	1.4
421.25647	3.1
423.32959	1.7
429.21124	3.0
433.31137	5.8
435.27615	2.4
441.26248	2.1
451.32147	7.1
462.71686	1.2
463.22238	1.2
469.33032	3.5
471.31235	1.2
477.28653	1.2
487.34024	1.3
489.32608	1.1
507.34470	3.0
515.37067	2.8
517.35022	2.9
525.35779	30.0
527.37158	1.8
541.34930	3.2
543.36847	100.0
544.37073	2.7
549.53632	1.2
555.35162	1.0
559.35553	1.3
561.37744	3.6
585.37762	3.1
597.38068	1.3
609.37860	2.3
633.37781	3.1
651.38977	11.7
669.39990	11.8
687.41052	21.7
705.42102	18.6
795.41980	1.9
813.43799	3.1
831.44098	1.5
849.45844	2.4
867.46313	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02420	0.4
65.03945	1.9
67.01878	1.4
67.05502	1.4
68.99432	0.8
68.99796	8.8
69.69176	0.4
69.90802	1.8
77.03939	0.6
79.05502	1.4
81.03434	4.1
83.05003	1.1
83.83617	0.3
85.02911	1.3
89.03917	2.0
90.66698	0.4
91.05514	0.9
93.03423	1.7
95.05002	1.9
97.02885	0.7
98.20853	0.8
99.04461	1.1
103.05463	1.1
105.03408	1.1
105.07048	0.4
107.04977	6.8
109.02899	4.0
111.00826	7.6
111.04452	6.8
115.05458	0.9
117.03393	1.3
119.04955	1.6
121.02909	2.0
123.04445	59.7
124.04730	0.4
125.02419	0.5
127.03934	100.0
128.04318	0.7
129.03241	0.4
129.07133	0.5
131.04968	2.7
133.02875	0.6
135.04436	57.7
137.02365	5.4
137.06000	1.2
139.03922	45.7
141.06996	1.5
141.08011	0.4
143.04921	1.0
145.02869	1.2
145.06526	1.5
146.96207	0.4
147.04420	7.5
149.02382	7.3
149.05965	3.0
149.91937	0.3
151.03931	13.0
152.06296	0.4
153.01808	0.6
153.05518	0.7
153.07024	1.1
155.03383	0.4
155.04922	1.3
157.06485	1.3
157.75940	0.4
159.04427	5.0
159.08156	0.4
161.02393	0.9
161.06015	4.9
163.03929	62.3
164.04541	0.4
165.01851	1.2
165.05493	4.7
167.03453	5.6
167.04799	0.8
169.04984	3.1
169.06505	2.1
173.02252	0.9
173.05988	5.4
175.03938	3.7
175.07594	0.7
177.01924	0.5
177.05498	8.0
179.03415	8.5
179.07082	0.4
181.04959	1.9
181.06546	1.1
183.04445	2.5
185.05986	1.5
187.03903	8.4
187.07571	1.1
188.04771	0.5
189.05533	3.1
190.02652	0.5
191.03416	10.5
191.07050	0.7
193.04935	2.1
197.05984	5.1
199.03920	0.8
199.07672	0.5
200.04712	0.5
201.05496	9.5
203.03423	13.8
203.07077	2.4
205.04985	3.1
207.02893	0.7
207.06554	0.9
209.06096	1.0
211.03882	0.8
213.05505	3.3
215.03441	3.9
215.07014	3.4
216.04340	0.4
217.05014	2.6
219.06538	1.0
221.06177	0.5
223.02434	1.2
225.05414	2.3
227.03519	0.7
227.07167	0.9
229.01535	0.5
229.04985	12.2
231.02898	0.9
231.06477	2.2
233.04471	5.3
237.05460	1.5
241.04956	3.4
243.02965	1.0
243.06548	6.3
244.03696	1.0
245.04491	65.1
246.04836	0.6
247.06049	48.6
251.05376	0.8
253.05005	2.9
255.06490	3.3
257.04480	14.4
258.05258	1.0
259.06027	10.5
261.07623	2.5
263.05505	1.1
265.05051	2.1
267.06461	1.1
269.04550	4.7
270.05289	0.4
271.06042	26.3
273.04034	0.8
273.07602	1.5
274.04785	3.0
275.05524	22.3
277.04913	0.7
279.06659	1.0
281.04501	2.6
281.07571	0.4
283.06036	10.9
285.03943	1.9
285.07532	1.3
286.04703	1.0
287.02286	0.7
287.05530	19.6
289.07108	32.4
291.08698	16.1
295.06003	2.2
297.03958	1.7
297.07477	1.0
299.05569	5.5
301.07114	11.8
303.05283	0.9
303.08649	2.0
307.05951	1.4
309.03949	2.1
309.07318	0.7
311.05603	2.1
313.07095	2.5
317.07111	0.4
323.05777	3.1
323.09177	0.8
325.07077	0.8
327.04822	0.4
329.06570	0.7
331.08517	2.0
333.07458	0.9
335.05630	0.9
337.07178	0.9
339.08606	0.8
341.06720	0.6
343.05475	0.5
345.07376	0.4
345.40964	0.4
349.07065	0.9
351.05075	2.2
361.07147	1.3
363.04861	0.6
363.08798	0.6
365.06488	1.8
367.08136	1.1
377.06464	1.7
379.08160	3.4
381.09897	0.6
383.07693	3.2
389.06616	1.7
391.08170	2.8
393.05975	4.4
395.07608	1.7
396.08273	0.7
397.04587	0.6
397.09256	8.8
401.06601	0.5
403.07852	0.6
405.05923	4.2
407.07681	23.7
409.09250	27.3
411.10794	3.9
415.08383	0.6
417.05676	0.5
419.07593	3.6
421.09225	3.3
425.08722	10.1
427.10297	14.0
431.07791	0.7
433.09534	2.6
435.11371	0.9
437.08691	8.7
439.10065	2.2
449.08810	3.4
451.10315	4.4
453.11652	1.0
461.09125	0.6
517.11584	3.2
527.09802	3.4
529.11261	0.8
535.12451	2.0
539.10327	0.4
541.11243	2.0
545.10785	5.6
557.10498	1.4
559.12109	1.4
571.12274	1.4
577.13422	2.0
579.15112	7.1
589.13678	0.9
679.14087	1.5
697.15619	4.7
699.16779	0.9
715.16449	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05632	1.4
61.02929	6.9
65.03942	0.8
67.05510	30.1
69.03397	0.7
69.07072	13.0
69.35903	2.4
69.36310	1.5
71.04970	2.2
71.08637	15.1
73.02885	2.1
78.66027	0.5
79.05084	0.9
79.05501	12.3
81.03411	1.5
81.07063	41.1
83.04996	3.0
83.08151	0.8
83.08621	12.1
85.02913	7.9
85.06535	2.4
85.09738	0.7
85.10186	9.4
89.05992	0.9
91.03971	5.5
91.05487	7.3
93.07050	25.8
95.04947	1.4
95.08614	18.3
97.02899	4.8
97.06534	5.2
97.10184	4.0
98.20702	0.6
99.04417	1.0
99.08079	1.0
105.04527	0.6
105.07025	2.4
107.08604	14.6
109.10162	6.1
111.08078	3.8
111.11717	0.8
113.06022	0.6
117.07027	3.6
119.08566	1.0
121.06522	0.7
121.10155	9.4
123.11733	3.1
125.13267	0.5
127.03917	1.6
131.08569	4.2
133.10159	4.4
135.08044	0.9
135.11693	3.9
137.13286	0.8
139.11162	0.6
145.04924	1.8
149.13266	19.1
157.10077	0.7
159.11702	6.3
163.06012	2.3
177.12775	3.8
195.13835	5.2
239.23729	1.8
257.24747	1.9
269.17493	85.1
313.27383	50.0
313.31155	0.9
314.27850	0.8
507.40494	100.0
508.40546	2.7
576.05743	0.7
635.79205	0.6
827.73633	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.5
65.03933	0.2
67.05504	4.6
69.03432	2.5
69.07073	2.7
70.05365	0.4
70.05753	0.5
71.01357	0.3
71.04983	0.6
73.02918	2.7
79.05488	3.3
81.03421	1.5
81.07058	4.8
83.04984	0.7
83.08633	0.6
85.02907	3.5
86.09699	0.2
91.03954	2.0
91.05485	3.4
93.07048	3.1
95.04978	1.3
95.08611	2.6
97.02894	3.1
97.06530	0.5
97.10157	0.7
98.21472	0.3
99.04465	0.5
99.08138	0.2
101.02381	1.2
103.03969	0.2
105.07038	2.0
107.04980	0.3
107.08602	1.8
107.14575	0.2
109.02897	0.6
109.06534	0.5
109.10194	1.1
111.08111	0.3
115.03943	0.4
117.07036	0.8
119.07856	0.3
119.08575	1.5
119.76468	0.2
121.10128	1.1
123.08056	0.5
123.11745	0.3
125.09637	0.4
127.03963	0.7
129.07057	0.4
131.08560	1.5
133.10153	1.2
135.08084	0.4
135.11679	1.1
135.17799	0.2
136.58575	0.2
145.10153	0.9
147.08122	0.2
147.11700	0.7
149.09647	0.3
149.13304	0.3
157.10146	0.5
159.11746	0.5
161.13255	0.3
163.11256	0.3
172.85802	0.3
175.11147	0.3
177.12740	0.3
184.07411	0.4
185.04259	0.7
203.05333	0.6
210.20517	0.2
214.08109	0.2
243.08406	3.1
259.07864	0.4
303.19250	0.3
313.08948	0.3
315.10638	0.3
333.20331	3.2
355.30746	0.2
364.59506	0.2
389.23151	0.9
439.19351	1.9
453.20892	2.2
469.20651	0.8
551.28302	11.2
749.40936	0.3
763.42255	1.0
789.92108	0.3
861.49664	100.0
862.49969	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	859.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69951	0.4
61.02933	6.0
67.05515	1.4
69.03435	4.4
69.07079	0.4
71.01369	0.7
71.05003	0.7
71.53297	0.4
73.02921	3.7
79.05503	2.1
79.66194	0.3
81.03423	5.0
81.07067	2.1
82.03804	0.4
83.05008	1.3
83.08605	1.5
85.02910	9.0
87.04491	0.6
91.03956	3.8
91.05486	3.0
91.25016	0.3
93.07071	1.9
95.04971	1.8
95.08624	1.1
97.02899	7.3
97.06551	0.4
97.10173	0.3
99.04470	0.8
101.02390	1.9
105.07059	2.9
107.08612	0.6
109.02898	0.9
109.06549	0.5
111.04502	0.4
111.08099	1.1
119.08620	1.3
121.10172	0.8
127.03928	2.0
129.07037	0.8
131.08611	1.4
133.10176	0.9
133.42181	0.3
140.13626	0.3
145.04980	0.8
147.04433	0.4
147.11691	1.9
149.09647	0.6
153.23071	0.4
157.10173	1.1
175.11243	1.3
185.04280	0.5
193.12299	3.1
203.05318	0.7
211.13336	1.9
243.08409	1.8
251.12529	1.8
267.08987	0.4
267.15945	0.5
285.17126	0.9
289.09634	0.7
307.15356	1.2
347.09552	2.8
355.30722	0.4
363.09341	0.5
365.10751	0.7
405.13702	4.9
440.68356	0.7
469.20483	17.2
470.20856	0.4
535.28833	0.4
631.25732	12.2
697.34247	2.4
859.39343	100.0
860.39532	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	857.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	0.2
69.07049	0.3
70.11993	0.5
76.07278	0.1
80.04989	0.1
87.09324	0.1
95.04951	0.3
97.06511	0.1
108.04485	1.6
120.04465	0.1
121.42255	0.1
122.06041	0.6
131.98801	0.1
136.07591	0.2
138.05493	0.6
138.09128	0.3
140.07066	0.9
146.06033	1.0
147.04378	0.1
147.06793	0.2
148.03877	0.2
148.07574	0.6
150.05466	0.4
166.05009	0.8
168.06593	2.1
168.79573	0.1
174.05515	0.6
180.08087	0.2
196.07573	0.1
196.09773	0.2
196.11304	0.3
197.07079	0.2
198.09105	0.2
199.08687	0.3
200.07056	0.2
204.06572	0.4
206.08124	1.0
211.08679	3.4
211.12254	0.5
212.09293	0.6
213.10167	0.9
221.10774	0.7
222.09187	1.2
223.08699	0.6
223.12338	0.5
224.10989	1.5
225.10243	3.2
226.08742	0.3
226.10962	0.5
227.08154	0.3
227.11784	0.2
237.10182	0.2
238.11052	0.3
239.08057	0.5
239.11816	7.1
240.08961	0.5
240.12454	0.7
241.09706	1.2
241.13367	0.8
242.10483	0.2
249.10153	0.7
250.08640	0.9
250.10957	0.2
251.08226	0.7
251.11792	0.5
252.08487	0.8
252.10124	0.5
253.09756	4.3
254.10512	0.6
255.06564	0.4
255.11024	0.3
256.12140	0.3
257.12885	0.7
267.11310	10.3
268.09482	0.2
268.12128	0.3
269.12915	1.3
273.99924	0.1
275.94928	0.1
277.09595	0.2
278.08160	0.3
280.08490	0.4
281.09283	0.3
283.10681	0.2
284.11554	0.8
285.08896	0.3
285.12329	1.2
287.05533	0.3
287.13904	0.2
295.10779	5.1
296.09137	0.2
297.12134	0.7
301.11716	0.2
305.14828	0.2
306.07550	0.2
313.11841	32.4
314.12329	0.7
315.13339	0.3
323.10242	1.3
327.13412	0.5
341.11349	8.9
342.11829	0.3
345.14767	0.2
355.12900	1.4
359.12387	1.7
373.13974	100.0
374.14301	1.6
375.15555	0.5
435.05835	0.1
478.16019	0.1
510.19162	0.2
645.25244	0.9
659.27893	0.7
677.28778	0.8
821.32489	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	856.542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.2
61.31897	1.1
65.03941	4.6
67.05507	93.9
69.03439	14.3
69.07072	61.3
70.46416	1.3
71.01336	1.4
71.04989	7.2
71.08636	1.5
71.42696	2.8
73.02908	1.8
77.03944	1.5
79.05496	86.6
81.03419	19.0
81.07060	100.0
83.04980	15.3
83.08620	22.1
85.02916	9.9
85.06541	4.2
91.04897	2.3
91.05484	69.0
93.07046	81.1
95.04973	15.9
95.08611	52.8
97.02866	6.4
97.06540	26.8
97.10165	20.7
99.04465	3.8
99.08107	5.2
103.05494	2.5
105.04559	3.2
105.06303	2.0
105.07035	63.0
107.04971	16.0
107.08599	65.2
108.87001	1.0
109.02878	3.4
109.06518	12.3
109.10165	23.7
111.04453	1.6
111.08088	6.0
113.06048	1.4
113.09662	3.0
115.05483	4.3
117.07023	29.5
119.08584	43.1
121.06510	9.8
121.10153	27.3
123.04487	1.6
123.08085	6.4
123.11702	4.7
125.09640	22.7
127.03941	7.9
128.06236	1.8
129.05505	2.2
129.07021	9.7
130.07835	1.4
131.08574	36.0
133.06505	3.0
133.10139	37.7
135.08064	9.5
135.11693	22.7
137.05997	1.5
137.09607	5.3
137.13342	1.4
139.45004	1.3
141.07011	4.8
143.08557	8.8
143.10681	1.9
145.06522	2.5
145.10129	36.2
147.08064	4.0
147.11679	23.2
147.12791	1.5
149.09627	25.0
149.13260	13.4
151.11194	4.4
153.09128	2.0
155.08557	5.8
157.10141	9.2
159.08087	1.6
159.11691	23.1
161.09636	3.9
161.13264	10.7
163.11176	17.7
165.09082	2.2
165.12756	3.6
167.08588	1.7
169.10153	7.1
171.10153	3.4
171.11711	9.0
173.04472	4.5
173.09669	2.6
173.11786	2.7
173.13286	10.6
175.11188	3.4
175.14841	2.7
177.12756	7.8
179.14307	7.6
181.10121	1.9
181.12296	1.7
183.11694	5.8
185.11832	1.5
185.13176	6.1
187.11201	4.0
187.14774	3.1
189.11189	13.6
189.12656	1.7
191.14334	2.0
193.10071	1.9
195.11757	3.5
195.13835	7.7
197.13251	5.0
199.14804	3.9
201.12817	1.5
201.16437	1.6
205.12239	1.4
207.13747	1.8
209.13358	1.9
211.14850	2.3
213.14673	1.6
213.16435	2.8
213.85904	1.3
215.14394	2.0
217.15958	2.4
227.12766	27.8
227.14900	1.6
229.14323	4.9
229.19527	4.2
239.17987	6.5
245.13866	5.0
247.20612	4.4
251.16484	1.3
253.14348	1.8
253.18068	3.8
255.15883	13.1
257.19003	16.2
267.15930	5.0
269.17474	37.1
269.39960	1.3
275.20068	70.6
291.19458	2.2
293.20972	6.5
313.21469	1.4
321.24210	3.0
331.22626	6.0
339.23038	1.4
349.23752	70.4
351.25870	1.6
365.23154	1.5
367.24887	7.1
389.18219	1.7
413.21912	1.9
423.27658	2.7
425.25208	2.1
431.28094	2.0
433.30603	2.8
435.27545	1.8
439.26559	2.4
444.22012	1.4
445.29401	3.3
447.31262	2.2
449.28992	12.2
451.32269	2.6
463.30585	14.8
469.33401	1.5
498.10733	1.2
503.33719	3.5
511.34497	1.8
515.37097	1.4
519.33026	4.6
525.35858	6.7
527.37384	3.2
529.35370	15.1
543.36841	54.9
544.37170	1.8
547.36096	2.9
561.37958	6.9
595.43182	1.8
605.42212	2.4
623.43097	22.4
624.43512	1.4
641.44043	11.4
651.37982	1.4
687.41064	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02941	1.4
62.56524	1.0
65.03938	5.5
67.05511	83.8
69.03435	9.7
69.07075	45.6
69.07466	1.5
71.01349	1.1
71.04993	5.8
71.38260	1.1
73.02892	1.1
77.03954	1.9
78.61370	1.0
79.05498	71.4
79.18119	1.0
81.03420	15.4
81.07064	100.0
82.07375	1.1
83.04996	15.8
83.08626	24.8
85.02904	6.6
85.06544	5.5
91.03951	1.7
91.05488	65.4
92.64040	1.1
93.07049	76.8
95.04979	14.6
95.08613	41.8
97.02879	5.3
97.06532	19.2
97.10174	16.3
99.04470	2.5
99.08133	5.1
103.03924	1.0
103.05442	3.4
105.04546	2.1
105.07040	56.5
107.04970	13.7
107.08598	54.1
109.02876	1.7
109.06532	8.4
109.10171	16.1
111.08086	8.1
113.09581	1.4
115.05436	2.1
117.07026	23.6
119.04933	1.3
119.08594	36.7
121.06509	7.6
121.09328	2.0
121.10152	27.5
123.04498	1.1
123.08074	5.8
123.11721	7.8
125.09650	13.7
127.03939	4.5
128.06235	3.1
129.05553	1.4
129.06981	8.8
129.32307	1.0
130.07811	2.7
131.08578	29.0
133.06512	2.5
133.10132	32.5
135.08057	9.3
135.11699	22.5
137.09636	5.0
139.11234	2.0
141.07021	4.6
142.07863	1.4
143.08585	10.0
144.09296	1.3
145.05032	1.2
145.06477	2.8
145.10139	29.1
146.10797	1.0
147.08049	3.3
147.10536	1.3
147.11694	21.8
149.09644	20.8
149.13277	16.9
151.11195	4.2
151.80856	1.1
153.09103	1.4
153.12759	1.3
155.08548	4.0
157.10121	7.8
159.08069	2.8
159.11693	20.4
161.09647	3.4
161.13268	8.3
163.11192	14.1
163.14838	1.2
165.09087	1.3
165.12761	2.5
167.08575	2.3
169.10092	5.9
171.10258	2.2
171.11714	8.5
173.04495	3.0
173.09644	1.6
173.13284	10.2
174.90561	1.2
175.11198	3.6
175.14758	1.6
177.12787	6.8
179.14345	4.7
181.10144	1.5
181.12244	3.4
182.10852	1.9
183.11766	5.4
185.13310	4.4
187.11256	2.8
187.14899	1.9
189.11235	7.4
189.12704	2.3
191.14412	1.4
193.12215	1.4
195.12010	2.3
195.13837	8.4
197.13310	5.1
199.14822	1.9
201.12825	2.2
205.12352	1.5
209.13257	1.4
209.50821	1.2
211.14822	1.3
213.14667	1.7
215.17850	1.9
217.15852	1.6
227.12769	22.8
229.14278	2.9
229.19589	3.1
239.18033	6.5
241.19598	1.1
245.13832	2.2
245.19151	1.3
247.20680	3.7
251.16425	2.3
253.18042	1.7
255.15904	12.8
257.19022	15.6
259.20602	1.9
265.14359	1.2
267.15930	3.2
269.17490	53.2
275.20084	67.7
277.18103	1.2
277.21408	1.1
291.19711	1.4
293.21094	5.9
301.21887	1.3
313.21771	1.8
321.24179	2.7
331.22720	3.1
349.23752	59.4
367.24872	12.0
389.17880	1.3
413.21844	3.3
419.24042	1.3
423.27380	2.8
431.28165	1.2
433.29895	1.6
435.27615	1.7
439.27136	1.3
441.89249	1.1
445.29416	1.9
449.29132	24.1
451.31870	2.1
459.30780	1.4
463.30615	27.3
469.33365	2.7
485.32672	1.2
503.33972	1.7
515.37195	1.7
519.33154	2.3
525.35913	5.5
527.37573	1.4
529.35559	12.2
543.36871	61.2
547.36279	2.6
561.38007	7.7
607.35059	1.8
623.42926	11.7
641.44043	8.5
659.44879	4.3
687.27502	1.1
687.40656	1.8
784.04535	1.1
863.71564	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.0
65.03940	3.7
67.05507	100.0
67.79869	0.4
68.05824	0.5
69.03430	3.7
69.07067	14.8
71.01363	1.3
71.04996	4.5
71.08630	0.6
71.13889	0.4
71.14258	1.0
73.02914	2.8
79.05009	0.7
79.05495	39.6
81.03420	9.7
81.07059	56.8
83.01364	0.6
83.04991	6.9
83.08621	13.7
83.09120	0.7
85.02903	11.4
85.03375	0.9
85.06544	3.1
87.04476	3.9
91.03949	1.5
91.05483	27.2
93.07046	38.2
95.04962	6.2
95.08610	40.0
97.02888	4.6
97.06534	4.9
97.10175	13.9
99.04476	0.7
99.08096	1.1
103.03950	1.2
105.04522	0.9
105.07034	13.2
107.04949	2.4
107.08601	25.9
109.06521	2.7
109.10159	55.0
111.04454	1.8
111.08076	3.7
113.05956	0.7
115.05490	0.8
117.07011	6.7
117.84277	0.6
119.08579	14.8
121.06516	1.1
121.10146	16.7
123.08070	3.0
123.11713	3.8
125.09633	13.3
129.05489	2.6
129.06940	2.4
130.07811	0.5
131.08568	9.6
133.10136	7.5
135.08055	1.5
135.11699	12.1
137.09610	3.2
137.13264	1.5
139.11200	1.0
143.08598	1.0
143.10677	2.0
145.10126	9.3
147.08057	1.2
147.11684	5.2
149.09671	1.0
149.13266	4.2
151.11147	0.9
153.12759	2.8
155.08629	0.5
155.10684	4.9
155.74286	0.6
157.08701	0.6
157.10139	1.6
159.11694	5.2
161.13271	3.8
163.11189	7.1
163.14793	3.0
165.12773	1.0
171.10281	0.5
171.11725	0.6
173.09593	1.2
173.11745	13.8
173.13269	5.3
175.11205	0.8
175.14815	1.3
180.34958	0.4
181.12215	1.9
183.11662	0.6
185.13203	0.5
187.14861	2.3
189.11215	0.9
189.16409	0.5
191.10701	2.5
193.12244	2.2
197.98918	0.5
199.13286	5.5
201.16328	0.9
209.11740	5.3
211.13272	1.6
215.18033	0.7
217.14333	1.3
225.76088	0.5
227.12770	8.6
229.14360	40.8
233.22739	0.5
241.19449	0.5
243.21103	4.8
251.17827	0.6
257.13956	0.8
257.17282	0.5
259.20596	0.7
261.22147	12.6
267.15869	3.7
277.21689	0.6
281.73309	0.5
283.15469	2.2
289.21860	0.5
299.23767	0.9
301.16440	12.5
315.23209	0.8
317.24826	2.7
327.23157	0.9
335.25806	67.7
336.26157	0.9
363.25433	0.9
399.23804	15.3
415.31946	0.5
459.34457	0.9
477.35822	5.3
489.29013	0.9
489.35773	13.8
517.34479	0.6
543.36707	2.1
561.29498	0.7
561.37750	7.0
579.39392	2.3
614.69604	0.5
659.45197	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.6
65.03947	3.2
67.05505	100.0
68.05825	0.6
69.03427	3.6
69.07072	16.3
71.01345	1.2
71.04996	3.7
71.08636	0.6
71.14008	0.6
71.14328	0.9
73.02922	2.9
77.03941	0.6
79.05016	1.1
79.05492	42.3
81.03422	8.2
81.07056	57.9
83.01334	0.9
83.04978	6.7
83.08618	13.7
85.02428	0.9
85.02906	11.6
85.06545	3.5
87.04470	4.5
91.03949	1.0
91.05482	26.0
91.44456	0.5
93.07046	42.1
95.04974	7.4
95.08607	39.3
95.09242	0.7
97.02883	3.6
97.06518	5.3
97.10171	13.5
99.04462	1.1
99.08096	1.9
103.03941	1.0
103.05469	0.6
105.04517	1.5
105.07034	15.9
107.04986	2.9
107.08009	0.3
107.08591	25.6
109.06548	2.5
109.10158	55.1
111.04410	1.0
111.08106	4.2
111.11721	0.9
115.05514	0.6
116.04739	0.8
116.06316	0.5
117.07027	6.5
119.08580	15.7
121.06521	1.0
121.10145	16.9
123.08076	2.4
123.11688	4.5
125.05941	0.5
125.09629	12.9
127.03920	0.7
129.05479	2.7
129.07018	1.9
131.08571	9.6
133.10120	8.0
135.08107	1.1
135.11685	14.9
137.09610	3.6
137.13225	1.2
139.11176	1.1
143.08557	0.8
143.10701	2.7
145.10129	10.3
147.07994	0.9
147.11702	6.0
149.09615	1.4
149.13240	5.7
151.11143	0.8
153.12727	2.8
155.10674	4.4
157.10104	1.1
159.11707	4.6
161.13255	3.3
163.11183	8.7
163.14839	2.4
165.12718	0.6
169.10175	0.5
171.11641	1.3
173.09622	1.2
173.11743	14.1
173.13295	5.0
175.11205	1.7
175.14813	1.6
177.12717	0.6
177.16414	1.0
179.14313	0.9
180.08713	0.5
181.12218	1.7
185.11661	0.5
185.13307	1.0
187.14789	2.8
189.11215	1.2
191.10680	2.0
191.14215	0.6
193.12206	2.5
197.13278	0.6
199.13292	6.7
199.14963	0.8
201.16417	1.1
203.12747	0.6
209.11725	5.1
211.13274	1.0
214.54175	0.6
217.14420	1.3
227.12767	8.4
229.14351	49.3
230.14594	1.2
233.22752	0.6
241.19728	0.9
243.21048	5.2
245.13684	0.8
249.14792	0.6
257.13718	2.3
259.20508	1.6
261.22141	16.6
267.15903	4.5
277.21588	1.2
283.15390	3.3
299.23599	0.7
301.16458	14.8
315.23169	1.1
317.24686	3.0
327.23190	1.1
333.24261	1.0
335.25793	92.5
336.26196	0.9
342.30881	0.6
363.25406	1.0
399.23743	12.3
423.00259	0.5
459.34189	0.7
469.33426	0.8
477.35736	7.4
489.35742	23.3
490.35867	1.0
497.40967	0.9
507.37094	0.8
525.35693	0.9
527.37256	0.9
543.36853	2.5
561.37836	6.8
579.39233	3.2
659.45148	22.5
660.45001	0.8
677.63904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	2.2
62.58939	1.3
65.03946	6.4
67.05508	90.1
69.03439	11.5
69.07075	49.5
71.05003	8.6
71.52541	1.7
71.52928	1.8
73.02916	1.8
77.03940	2.7
79.05499	100.0
81.03419	14.6
81.07062	91.1
83.04979	15.4
83.08144	3.0
83.08624	39.4
83.26845	1.4
84.05867	1.3
85.02902	5.5
85.06548	4.4
85.83289	1.3
91.05490	74.3
93.07052	75.6
95.04975	16.6
95.08609	48.7
97.02915	5.5
97.06540	25.3
97.10177	74.1
99.04464	2.8
99.08123	1.5
103.05490	2.1
105.04495	2.8
105.07040	69.7
107.04958	19.9
107.08601	98.8
109.02897	5.3
109.06523	10.9
109.10164	26.5
111.04478	2.6
111.08099	8.4
111.11785	1.7
113.06040	2.3
113.09625	1.9
116.07074	1.6
117.07021	27.9
119.06093	1.7
119.08588	42.3
121.06512	6.7
121.10149	26.1
123.08068	6.6
123.11668	7.2
125.09637	60.1
127.03928	6.3
129.06999	9.0
130.07727	2.0
131.05034	1.4
131.08580	34.1
133.06508	3.3
133.10141	46.6
134.26936	1.3
135.08070	15.6
135.11697	18.4
137.09631	5.3
139.11197	2.3
141.07011	4.4
142.07823	2.6
143.08557	12.6
143.10588	2.2
144.09299	2.0
145.06503	1.8
145.10143	31.5
147.08041	3.0
147.11700	24.1
149.09634	24.5
149.13287	10.3
151.11182	3.7
151.13055	1.6
153.09108	6.3
154.07648	1.6
155.08578	5.5
157.10114	10.2
159.08084	2.4
159.11711	22.9
161.09634	3.9
161.13269	9.4
163.11185	15.7
165.12714	2.3
169.10085	8.6
171.10202	6.5
171.11725	9.3
173.09692	2.2
173.11806	3.4
173.13283	11.0
175.11273	2.6
175.14796	4.1
177.12804	4.7
179.14326	5.5
181.10199	1.8
183.11714	6.2
185.13283	5.4
187.11247	4.1
187.14897	3.8
189.11230	35.3
191.14439	1.6
195.11897	2.7
195.13867	4.5
197.13350	7.7
199.14859	4.1
209.13354	2.5
213.12886	1.6
213.16454	5.1
217.15849	1.6
227.12784	95.3
228.13104	1.6
229.14435	3.0
229.19550	4.0
233.15169	1.7
239.18057	8.1
245.13831	11.8
247.20621	1.9
253.17938	3.2
255.15845	9.4
257.19031	21.4
267.16119	1.7
269.17468	19.7
273.18561	3.4
275.20081	98.1
276.20349	3.0
291.19595	4.6
293.21240	8.8
313.21710	3.6
331.22705	6.2
347.22369	1.8
349.23761	96.6
350.23935	1.5
363.26913	1.8
367.24789	5.1
381.27679	2.0
389.18008	3.4
397.22296	6.7
425.25214	2.9
431.28027	1.5
433.30780	1.6
439.27139	7.0
445.29663	2.9
449.28925	1.8
451.31714	2.7
463.30847	2.3
469.33203	2.3
487.34341	2.8
501.32492	2.2
503.33426	4.1
511.34775	3.5
519.33270	22.9
525.35760	6.3
527.36981	5.0
529.35303	21.5
531.38776	2.2
543.36841	63.0
544.37109	2.4
547.35986	2.4
549.39392	2.4
559.36481	2.6
561.37689	5.2
583.31073	2.9
605.41888	4.2
623.33429	2.8
623.43115	52.8
641.44006	20.9
663.36920	5.0
687.40417	2.0
705.40741	1.9
867.86499	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02883	0.8
64.08166	0.8
65.03921	2.8
67.05507	42.9
69.03430	12.1
69.03780	1.5
69.07072	35.3
69.26660	8.0
71.01340	0.8
71.04979	3.5
73.02922	1.8
79.05496	41.5
81.03420	9.8
81.07060	48.2
83.04996	6.7
83.08620	15.5
85.02884	3.0
85.06544	2.7
91.04900	1.5
91.05483	31.0
93.07048	37.9
95.01367	0.8
95.04969	8.7
95.08607	19.6
97.02890	10.5
97.06547	11.5
97.10169	15.1
99.04450	1.2
99.08067	1.3
103.05482	1.7
105.04514	1.1
105.06303	1.1
105.07030	25.0
107.04957	10.4
107.08598	26.4
109.02866	1.8
109.06531	5.2
109.10164	13.5
111.04449	1.2
111.08086	4.7
113.09648	1.2
115.05473	2.3
117.07017	14.7
119.04989	1.8
119.06078	0.8
119.08582	20.9
121.06499	4.7
121.10143	12.5
123.04436	1.4
123.08055	5.0
123.11714	2.6
125.09630	11.2
127.03926	1.5
127.24570	0.8
128.06215	1.4
129.05525	1.2
129.07008	5.2
131.04807	1.0
131.08582	16.1
133.06488	2.6
133.10132	17.0
134.07323	0.9
135.08064	6.1
135.11690	9.4
137.09612	3.7
139.11122	1.1
141.06958	1.5
142.07799	1.4
143.08527	5.4
145.06462	1.5
145.10132	12.9
147.08070	6.4
147.11682	7.7
148.18079	0.9
149.09650	6.9
149.13295	4.5
151.11214	2.2
153.09096	1.8
157.10193	4.1
159.08086	1.3
159.11700	8.4
161.09680	3.8
161.13263	2.4
163.11182	7.8
165.09177	2.0
169.10156	3.2
171.10287	1.2
171.11682	4.1
173.04529	1.3
173.11940	0.8
173.13275	3.0
175.11217	2.5
177.12775	4.5
179.14317	2.0
181.12210	1.2
183.11671	1.9
185.13219	1.9
189.11227	6.2
189.12704	1.4
191.10706	0.8
193.12228	1.6
195.11752	0.9
195.13800	2.9
197.13240	1.4
203.14288	1.2
205.12305	1.8
217.16098	0.9
223.13280	17.9
227.12784	12.6
229.19479	1.6
239.17931	2.0
244.93274	0.9
245.19028	1.9
247.20454	1.0
249.14857	2.8
253.14305	4.6
255.15717	6.2
257.19028	6.2
267.15863	1.9
269.17471	15.2
273.18469	12.2
275.20078	20.3
291.19547	100.0
292.19824	1.5
293.21066	1.4
309.20496	1.2
321.24136	1.2
331.22745	1.6
336.31616	0.8
347.22128	2.6
349.23727	20.2
365.23236	47.8
366.23523	1.0
367.24857	2.9
384.25720	0.9
413.21573	1.3
442.20096	0.9
461.28732	2.3
519.33313	1.7
535.32867	2.4
541.35382	2.1
543.36072	1.2
545.34705	14.3
557.33728	1.3
559.36304	52.1
613.37488	1.1
621.41150	2.1
639.42499	30.6
657.43591	4.0
842.38281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.1
65.03941	4.7
67.05504	84.5
69.03418	8.2
69.07066	34.0
69.16345	10.7
71.01341	1.3
71.04990	8.4
71.08629	1.2
73.02888	1.3
77.03903	1.9
79.05492	61.5
81.02988	1.4
81.03415	19.1
81.07055	100.0
83.04985	19.8
83.08618	14.8
85.02895	5.8
85.06548	6.8
85.10172	1.7
87.04456	3.2
89.06021	3.9
91.05478	77.9
92.05769	1.7
93.07040	65.6
95.04961	20.2
95.08605	37.6
97.02898	5.1
97.06528	16.5
97.10151	5.3
98.21539	2.2
99.04448	2.3
99.08058	3.0
103.05446	2.8
104.75649	1.0
105.04505	1.8
105.07029	70.3
107.04954	16.2
107.08595	52.0
109.02886	2.4
109.06508	10.9
109.10152	54.3
111.04426	1.7
111.08074	5.1
113.05983	2.6
113.09636	2.1
115.05425	4.2
116.06236	1.1
117.07008	18.2
119.08581	31.1
121.06504	10.9
121.10139	18.4
123.04414	1.9
123.08076	7.4
123.11708	9.2
125.05983	1.1
125.09599	4.2
127.03905	2.1
127.07536	3.1
128.06180	3.7
129.05490	1.3
129.07013	9.9
130.07794	2.2
131.08569	25.3
133.06471	5.3
133.08514	3.3
133.10127	78.5
135.08046	11.9
135.11688	12.0
136.11905	1.1
137.09584	4.0
139.07518	1.4
139.11169	1.1
141.07021	1.7
142.07710	2.2
143.08560	8.9
145.06477	2.6
145.10133	14.8
147.08060	5.8
147.11691	14.0
149.09608	19.5
149.13240	7.4
151.11174	30.9
155.08519	3.8
157.10117	7.7
159.08014	3.0
159.11722	11.0
161.09607	8.3
161.13219	6.0
163.11174	12.6
165.09109	1.4
165.12619	1.3
167.08585	1.3
169.10112	3.4
169.12244	5.9
171.08133	1.2
171.10339	1.4
171.11665	6.1
171.12932	1.1
173.04442	1.3
173.09631	1.9
173.11890	1.2
173.13260	5.3
175.11176	6.5
175.14856	1.2
176.79671	1.0
177.12718	4.4
179.10596	2.4
179.14281	2.9
183.11699	2.4
184.07382	1.3
185.13274	2.3
187.11163	2.8
189.11153	2.2
189.12695	2.4
193.12195	2.8
195.13805	2.9
197.11652	2.0
197.13318	2.5
199.14842	1.3
201.16408	1.2
203.14319	1.5
211.13223	2.0
213.12834	1.1
213.16544	1.2
215.12733	3.9
217.12372	1.2
223.13196	1.5
227.12718	5.5
227.17928	1.4
229.19476	1.5
231.13696	1.5
233.15305	1.5
239.17915	1.4
245.19049	4.6
247.20601	2.1
251.12627	1.2
253.14352	99.4
254.14676	1.2
255.15895	4.2
257.18979	7.4
263.20071	3.8
267.15878	2.6
269.17450	15.3
271.15369	4.0
273.18491	25.9
275.20050	28.1
283.20596	1.2
291.19559	27.1
291.22809	1.3
293.21127	1.7
309.20648	2.2
329.21060	1.3
331.22849	1.4
333.24246	1.3
335.25912	1.3
347.22122	11.1
349.23724	22.5
365.23206	28.3
367.24734	3.3
413.21899	1.1
423.23950	1.0
447.27383	4.8
451.26706	5.4
461.28955	1.3
465.28455	10.7
467.31476	1.3
477.28851	1.6
527.33807	4.8
541.35248	7.1
545.34729	25.5
559.36292	43.3
621.41058	3.2
639.42578	17.8
657.43555	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	854.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.5
65.03979	3.6
67.05508	56.9
69.03087	1.1
69.03434	13.1
69.03790	0.5
69.07072	37.0
70.86299	1.7
71.01372	1.0
71.04410	1.0
71.05010	4.3
72.64821	0.7
73.02907	1.2
77.03937	1.0
79.05497	46.5
81.03423	12.3
81.07059	62.7
83.04987	10.1
83.08623	14.1
85.02903	4.0
85.06550	3.7
87.04433	0.9
91.05486	43.4
93.07049	45.1
95.01330	0.9
95.04973	12.3
95.08610	25.1
97.02902	11.5
97.06531	12.5
97.10173	15.1
99.04450	1.3
99.08077	1.9
103.05430	1.2
105.04517	1.6
105.07035	38.3
107.04956	11.9
107.08596	32.4
108.05691	0.8
109.02874	2.7
109.06519	6.0
109.09470	1.4
109.10159	17.4
109.79389	0.6
111.04442	1.4
111.08089	4.9
113.06041	0.8
115.05443	2.2
116.06236	1.2
117.07026	14.2
119.04916	1.6
119.08592	24.9
121.06505	7.7
121.10148	13.3
123.04412	1.4
123.08076	6.5
123.11716	5.1
125.09644	12.3
127.03923	1.6
127.07478	0.8
128.06194	1.5
129.05478	0.9
129.06963	6.1
130.07787	1.2
131.05003	0.7
131.08569	17.9
132.05721	0.9
133.06505	3.9
133.10144	26.5
134.07346	1.0
135.08061	7.4
135.11693	11.4
137.09654	3.6
139.07573	1.0
139.11133	1.0
141.07031	2.1
142.07776	1.0
143.08565	5.7
144.98267	0.7
145.06503	1.7
145.10129	10.9
147.08043	6.8
147.11693	7.7
149.09644	9.8
149.13272	9.0
151.11157	5.4
153.09059	1.1
153.12798	1.0
155.08569	1.9
157.10146	5.4
159.08049	2.1
159.11705	12.8
161.09648	4.3
161.13229	3.8
162.10394	1.6
163.11183	6.0
165.09070	1.7
165.12779	1.6
167.08521	0.7
167.10698	0.6
167.14294	0.8
169.10191	1.9
169.12213	1.4
171.10382	0.8
171.11711	3.7
173.04430	1.1
173.09720	1.0
173.11882	1.0
173.13200	3.4
175.11224	3.5
177.12788	4.0
179.10724	1.4
179.14270	1.2
181.10057	0.8
181.12215	1.2
183.11688	2.1
185.13300	2.0
187.11153	0.7
187.14908	1.0
189.11241	5.3
189.12695	1.6
189.16490	0.7
193.12222	1.6
195.12065	1.0
195.13770	4.8
197.13153	1.2
199.11142	1.7
201.12791	1.0
205.12267	2.4
211.15007	0.8
213.14813	1.4
219.13907	0.7
223.13271	18.2
225.11217	0.8
227.12766	10.9
227.17825	1.4
227.28865	0.8
229.14203	1.0
229.19569	1.2
239.17926	2.2
240.40950	0.7
242.80655	0.7
245.19048	1.8
247.20454	1.2
249.14667	3.2
251.12746	0.9
251.16200	0.8
253.14369	11.8
255.15672	6.4
257.18988	5.8
261.14862	0.7
263.20059	1.6
267.15936	2.6
269.17493	29.5
273.18509	19.1
275.20062	18.9
291.19543	100.0
292.19882	1.0
293.21118	2.3
309.20734	2.3
331.22736	1.1
347.22287	4.7
349.23779	18.3
365.23260	50.4
366.23502	0.8
367.24802	3.3
413.21826	1.8
461.29156	2.0
465.28140	1.0
479.30008	1.0
488.78308	0.7
519.33362	1.1
527.33862	1.8
529.36121	0.9
535.32721	1.3
541.35376	5.6
545.34741	17.7
559.36328	76.6
560.36591	2.8
611.43011	1.0
621.41144	2.5
639.42633	21.4
640.44244	0.9
657.43439	4.3
703.40344	1.6
796.89935	0.8
854.46027	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	854.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	5.3
64.13756	0.5
65.03930	1.3
67.05508	45.4
69.03423	2.1
69.07072	10.1
70.74894	1.2
71.04996	12.1
71.08626	0.5
73.02921	3.0
76.59655	0.4
77.03905	0.7
79.05495	19.9
81.03430	3.7
81.07059	64.1
83.04993	4.1
83.08623	9.3
85.02914	7.8
85.06548	6.1
87.04476	0.8
91.03959	5.3
91.05485	16.3
91.32043	0.4
93.07047	30.1
95.04971	3.2
95.08608	12.1
97.02892	4.2
97.06542	6.3
97.10164	3.3
99.04451	1.0
99.08098	1.8
105.04507	0.5
105.07028	6.5
107.04979	1.0
107.07873	1.0
107.08598	18.2
109.06518	1.8
109.10157	10.7
111.04446	0.7
111.08084	4.4
113.06005	0.5
113.09642	0.6
117.07011	4.6
119.08553	3.3
121.06525	1.3
121.10147	9.3
123.08116	1.2
123.11700	6.2
125.09608	2.3
127.03926	2.2
128.55946	0.5
129.06963	1.0
130.54120	0.4
131.08566	5.4
133.10143	9.7
135.08034	1.3
135.11711	6.6
137.09561	0.7
139.11160	0.9
145.04988	1.5
145.10141	0.9
147.11700	1.3
149.09650	1.2
149.13264	18.7
151.11148	3.5
155.10684	0.7
157.10197	0.5
159.11702	7.1
163.06046	1.6
163.11163	1.3
165.12778	1.0
167.14244	0.5
169.12248	0.7
173.11708	2.3
177.12717	3.4
183.13878	0.9
187.13341	2.5
193.12285	1.3
195.13823	5.5
199.13271	0.9
209.11761	0.9
213.14867	1.0
227.12840	1.3
229.14348	9.4
243.37801	0.5
251.16476	0.6
257.17374	0.4
267.15976	2.1
269.17496	19.9
270.17542	0.5
283.15466	1.4
301.16437	3.1
301.20123	3.8
313.16318	0.6
411.27390	1.1
423.27444	9.9
431.27829	1.0
437.29010	23.5
438.29526	0.5
451.30640	3.7
463.30573	100.0
464.30835	2.1
477.28400	1.0
495.32965	23.2
513.30670	3.2
583.20251	0.5
607.34741	1.6
639.37390	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14960	1.1
61.02932	16.3
65.03935	3.2
67.05508	94.6
69.03435	7.1
69.07067	19.0
71.01347	2.0
71.05003	7.5
73.02925	8.1
75.77776	1.0
79.05499	41.3
81.03424	15.8
81.07060	81.0
83.04985	11.7
83.08629	22.7
85.02911	28.9
85.06529	6.4
87.04470	3.5
91.03957	11.6
91.05484	29.6
93.07047	42.0
95.04976	8.7
95.08623	21.1
96.04515	1.4
97.02896	13.1
97.06542	10.9
97.10162	13.8
98.20766	1.8
99.04450	2.5
99.08117	2.5
103.03925	1.8
105.04527	1.6
105.07030	10.7
107.04967	4.7
107.08596	32.9
109.06506	2.3
109.10162	49.6
111.04436	3.0
111.08078	6.9
113.06002	1.2
117.07017	7.4
118.91278	1.1
119.08598	10.7
121.06497	3.7
121.10145	13.4
123.08083	2.8
123.11723	6.2
125.09655	11.2
127.03947	5.8
129.05490	5.1
129.07004	2.4
131.08597	9.6
133.10155	16.0
135.08099	1.5
135.11693	10.1
137.05902	1.1
137.09637	2.6
143.10675	2.6
145.04945	4.8
145.10139	3.9
146.27921	1.3
147.08076	1.9
147.11711	5.9
149.09584	2.8
149.13269	13.4
151.11179	3.4
153.12741	2.0
155.10654	3.8
157.10109	2.1
158.85782	1.2
159.11707	7.7
161.13354	1.2
163.06046	6.8
163.11183	7.9
165.12747	2.1
173.04433	1.5
173.09595	1.9
173.11771	12.5
175.11188	1.8
177.12714	5.1
181.12244	2.1
191.10657	2.6
193.12231	3.7
195.13808	14.4
199.13365	6.1
209.11758	6.4
211.13235	1.9
213.14848	3.1
227.12738	8.6
229.04068	1.3
229.14363	48.9
239.16360	2.6
257.13818	4.1
267.15970	9.2
269.17484	63.4
283.15378	8.1
285.16965	1.4
297.17151	1.2
301.16479	17.9
301.19754	2.1
357.24503	1.6
393.26273	2.5
411.27423	7.1
423.27448	49.8
431.27765	1.8
437.28925	6.7
449.29218	2.8
451.30716	1.7
459.27316	1.8
463.30484	5.6
477.28342	6.4
478.16919	1.1
495.29230	100.0
496.29706	2.9
513.30615	27.0
639.36322	1.5
804.93365	1.3
853.52466	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42613	0.3
61.02645	0.5
61.02936	7.9
65.03954	1.3
67.05514	20.8
69.03435	5.1
69.06723	0.5
69.07076	6.6
71.05001	5.3
72.04494	0.3
73.02925	2.5
73.06516	0.3
79.05502	23.6
81.03429	76.7
81.07066	26.4
82.03769	0.3
83.04993	15.7
83.08629	28.3
83.69949	0.3
85.02917	34.3
85.06538	2.0
86.45680	0.3
87.04481	0.7
91.03971	6.2
91.05492	32.5
93.07056	17.5
95.04980	29.8
95.08617	10.0
96.04528	0.3
97.02905	8.9
97.06539	3.6
97.10181	4.6
98.20693	0.5
99.04474	0.9
99.08116	1.4
105.04573	0.6
105.07044	24.4
107.04974	8.3
107.08605	7.1
109.02906	0.4
109.06538	5.6
109.10155	3.1
111.04472	3.2
111.08095	12.4
111.08865	0.6
113.06014	2.5
115.03956	0.4
115.05466	2.4
117.06331	0.4
117.07017	1.8
119.05000	1.1
119.08598	20.9
121.06489	2.5
121.10156	9.8
123.08094	2.5
123.11710	1.9
125.06039	0.6
125.09641	2.0
127.03950	2.1
127.07594	0.9
128.06218	0.8
129.07030	12.5
131.07585	0.7
131.08582	12.9
133.06528	3.3
133.10152	13.5
135.08078	0.6
135.11754	0.5
137.09642	2.3
137.13257	0.4
142.07800	2.5
145.04982	1.5
145.06509	0.4
145.10146	2.3
147.08073	3.6
147.11703	18.1
149.09645	8.1
151.11156	0.7
157.10146	18.8
163.06033	2.6
163.11220	1.8
165.12788	3.9
175.11211	19.1
189.11206	0.7
193.12268	53.1
194.12724	0.4
211.13321	80.9
212.13763	0.7
229.14301	0.4
231.14027	0.4
249.14906	0.9
267.15948	46.1
273.14896	0.8
273.85287	0.3
285.16995	83.3
286.17307	1.2
339.23398	0.4
349.21671	0.8
367.22678	3.3
385.23798	4.1
403.24716	1.6
407.24374	0.4
411.20120	0.5
429.21350	1.1
433.26053	2.4
441.26471	2.3
459.27487	38.8
460.27374	0.5
477.28555	38.4
478.28940	0.5
495.29602	100.0
496.29999	2.4
603.31873	0.5
621.32446	1.2
639.33972	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	854.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	13.7
65.03944	2.5
67.05506	78.8
69.03430	5.3
69.07067	14.7
69.35372	0.6
71.01373	1.2
71.04991	5.4
73.02905	5.7
75.34991	0.7
79.05495	30.2
81.03417	13.7
81.07059	58.0
83.04987	7.6
83.08618	17.6
85.02907	25.5
85.06533	4.3
87.04469	3.4
91.03957	9.9
91.05482	23.9
93.07046	34.6
95.04970	6.4
95.08605	16.9
96.04530	0.9
97.02893	11.2
97.06532	9.8
97.10172	12.8
99.04449	1.6
99.08099	1.8
103.03979	1.0
105.04547	1.0
105.07043	10.2
107.04966	3.6
107.08595	24.9
109.02895	1.4
109.06513	3.4
109.10158	46.8
111.04459	1.5
111.08102	6.4
113.06028	0.9
115.03930	0.6
115.05484	0.5
117.07023	7.6
119.08575	8.0
121.06516	2.4
121.10153	9.9
123.08036	3.3
123.11713	5.1
125.05958	0.7
125.09634	11.2
127.03923	4.8
127.07564	0.7
129.05495	5.1
129.07030	2.2
131.08569	8.0
133.10132	11.6
135.08054	1.5
135.11693	9.9
137.09599	2.9
139.11156	0.7
143.07060	1.2
143.10693	1.9
145.04968	6.7
145.10117	4.4
147.08084	1.8
147.11694	5.4
148.12515	0.6
149.09621	1.7
149.13269	10.5
151.11171	1.4
153.12738	3.1
155.08566	0.7
155.10645	4.2
157.08725	0.8
157.10159	2.0
159.11699	6.2
163.06013	6.3
163.11188	7.2
165.12726	2.9
165.66025	0.6
171.06564	0.7
171.10184	0.8
171.11624	1.0
173.09668	1.9
173.11754	12.2
173.13167	0.7
175.11189	1.8
177.12709	4.1
180.08656	0.8
181.12265	2.3
185.11798	0.8
185.13261	0.6
189.11287	1.1
191.10715	2.7
193.12221	5.5
195.13800	11.9
199.13306	6.2
209.11717	7.0
211.13266	6.3
213.14883	1.7
227.12756	8.6
229.14354	48.9
233.15331	0.7
239.16415	5.3
245.13754	0.6
249.14896	0.9
255.15976	0.7
257.13892	1.1
265.14331	1.1
267.15936	13.9
267.18872	0.5
269.17484	55.7
270.17838	0.7
283.15314	8.5
285.16995	1.8
295.19360	1.1
295.22662	0.7
297.17004	1.7
301.16446	17.9
313.16537	2.3
323.18536	2.1
353.19522	1.4
355.42877	0.6
357.24298	2.1
375.25198	0.8
385.23706	0.8
393.26355	2.5
411.27524	5.1
422.26764	0.8
423.27405	40.9
424.27850	1.1
431.28024	5.7
449.29102	3.6
459.27344	1.2
463.30585	0.8
477.28549	6.1
495.29541	100.0
496.30014	2.0
513.30603	27.1
657.34406	1.0
775.80072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5829
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	2.0
67.05509	26.1
69.07076	11.9
71.04984	1.8
71.53364	2.7
79.05498	25.9
80.28312	1.6
80.69148	1.7
81.03387	2.7
81.07060	29.0
83.04997	2.7
83.08611	6.3
85.02898	2.4
86.59263	1.5
91.05484	33.2
93.07052	32.1
95.04949	3.7
95.08607	25.2
97.02866	2.3
97.06522	2.3
97.10152	2.5
103.17566	2.0
105.06390	2.5
105.07038	27.7
107.08597	17.8
109.10152	9.1
117.07032	12.2
119.08575	20.6
121.10149	15.8
123.11620	3.6
125.09587	2.4
128.06268	2.8
129.07001	7.7
131.08571	17.9
133.10136	20.1
135.08003	2.1
135.11691	8.4
137.13184	1.6
141.07022	2.3
143.08580	9.0
145.10139	16.7
147.11703	13.3
149.13223	5.3
155.08563	4.7
157.10149	9.5
159.11678	10.5
161.13249	6.3
163.14693	1.9
169.10146	6.3
171.11676	8.0
173.13274	9.0
175.14830	3.5
181.10117	3.9
183.11647	4.4
185.13263	6.0
187.14757	1.8
189.81038	2.0
195.11626	4.0
197.13274	4.4
199.14812	4.1
201.16428	2.8
209.13335	3.8
211.14885	3.8
213.16458	2.4
229.19565	2.0
231.17320	1.6
237.16483	3.1
239.17963	4.6
257.19046	7.9
259.20538	10.0
259.66199	2.0
311.23511	2.0
313.21829	2.0
331.22736	3.9
333.24216	12.7
335.25775	7.4
351.26917	2.8
365.28226	1.7
499.39246	2.4
515.37274	2.5
517.39960	8.9
535.40912	2.1
539.37164	3.0
591.43713	7.9
609.45148	100.0
727.16907	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	0.7
65.03934	1.2
67.05508	24.1
69.03434	9.1
69.07071	23.7
71.04984	1.0
71.54182	0.9
74.95515	0.7
79.05494	21.2
81.03411	6.1
81.07059	17.6
83.04983	3.2
83.08627	7.9
85.02898	2.5
91.05486	16.1
93.07043	17.9
95.01318	0.9
95.04961	7.4
95.08605	9.1
97.02898	8.8
97.06525	3.4
97.10172	13.1
100.03692	0.8
100.78094	0.7
103.05460	1.2
105.07032	14.6
107.04952	7.4
107.08600	13.4
107.77020	0.8
109.02882	1.2
109.06510	2.5
109.10162	7.6
111.04421	1.1
111.08057	1.6
116.06225	0.8
117.07013	7.5
119.04933	1.4
119.08583	11.0
120.05713	0.7
121.06520	3.9
121.10149	3.2
123.04403	1.1
123.08073	2.5
123.11694	0.8
125.09632	8.9
128.06215	1.2
129.06978	3.4
131.08583	6.3
133.06500	3.9
133.10133	5.2
134.07278	1.8
135.08058	3.1
135.11711	2.4
137.09621	2.5
142.07790	1.1
143.08582	3.3
145.06488	0.9
145.10141	4.1
146.08119	2.1
147.08020	4.9
147.11697	3.3
149.09564	1.4
149.13260	1.6
153.09143	1.1
155.08572	1.1
157.10152	3.5
159.11670	3.0
161.09555	1.7
161.13278	0.8
162.10381	1.1
163.11179	2.4
165.09143	1.9
169.10188	1.2
169.12183	0.9
171.10190	0.7
171.11655	1.4
173.09633	1.0
175.11191	2.5
177.12787	1.1
187.11206	1.0
189.11227	4.6
191.10640	0.7
193.12323	1.0
195.13857	0.9
203.14560	0.7
205.12254	2.4
211.13312	1.7
223.13306	18.6
227.12769	6.8
245.18977	1.3
249.14891	4.2
255.17638	1.4
267.15900	1.9
273.18488	14.6
289.17975	0.9
291.19547	100.0
292.19724	1.2
293.10574	0.9
309.20682	1.4
347.22260	3.6
365.23242	52.9
366.23608	1.5
535.32843	1.1
557.34698	2.6
637.40369	2.9
655.42059	53.7
656.41956	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	3.5
66.98239	0.8
67.05508	48.7
69.03431	9.1
69.07072	25.9
71.04990	4.3
79.05497	38.6
81.03415	8.8
81.07061	49.3
81.32583	0.9
83.04979	9.1
83.08623	9.3
85.02885	1.1
85.06531	3.4
91.05486	42.3
93.07048	34.3
95.04982	11.3
95.08606	18.8
97.02890	6.3
97.06531	7.0
97.10179	9.5
99.04501	1.4
99.08083	1.2
103.05457	1.9
105.04551	0.9
105.07038	36.5
107.04976	10.7
107.08602	30.2
109.02915	1.4
109.06569	6.4
109.10162	36.1
111.04434	1.7
111.08066	3.4
113.05988	1.0
115.05463	1.8
116.06217	1.6
117.07043	10.2
119.08597	17.4
119.09458	1.1
121.06515	10.6
121.10136	6.7
123.04449	1.0
123.08039	4.2
123.11710	4.4
125.09627	7.0
127.07567	1.8
128.06209	2.1
129.07010	6.0
130.07751	1.1
131.08583	12.6
133.06494	6.3
133.10138	43.5
135.08055	6.9
135.11700	4.6
137.09608	2.5
139.03880	1.8
141.07028	1.6
142.07713	1.0
143.08580	6.0
144.05688	0.8
145.06479	1.0
145.10135	8.4
146.07211	1.1
147.08058	9.3
147.11719	4.2
149.09625	5.5
149.13278	1.8
151.11192	18.0
153.09129	1.0
157.10146	3.5
159.08047	2.0
159.11699	3.8
161.09622	7.4
161.13312	1.8
163.07671	1.1
163.11212	2.7
165.09096	1.2
169.10210	0.9
169.12199	4.2
171.10298	1.3
171.11728	3.1
173.09584	1.3
173.13191	1.0
175.11162	4.3
177.12804	1.2
179.10741	1.7
183.11731	1.6
185.09601	0.9
185.13246	2.1
189.11272	2.3
189.12779	1.7
193.12334	1.0
205.12300	2.0
211.13249	1.0
215.12711	2.0
223.13318	14.4
224.41957	0.9
227.12831	4.6
227.18047	1.4
245.19060	3.9
249.14877	3.9
251.06931	0.9
251.12772	2.4
253.14369	82.1
255.17577	1.7
263.20068	2.6
273.18500	29.1
276.95712	0.9
291.19550	100.0
309.20599	1.5
329.21106	1.2
335.25897	1.0
347.22232	9.3
355.95718	0.8
365.23239	51.0
423.23636	1.4
543.33502	4.1
557.34302	1.1
559.32867	1.1
561.25885	1.6
561.34204	21.2
575.35577	1.5
637.40894	8.7
655.31244	1.8
655.42059	33.2
656.41858	1.6
828.56744	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02466	0.9
59.04974	1.0
61.02935	5.2
65.03933	2.3
67.05511	31.1
69.03432	3.4
69.07084	8.0
70.11308	3.6
71.04999	3.8
73.02922	2.1
73.06568	0.8
77.03919	0.9
79.05499	42.7
81.03426	45.7
81.07063	32.5
83.04984	14.1
83.08627	14.7
83.58805	1.0
85.02440	1.0
85.02916	17.4
85.06548	2.9
91.03948	3.1
91.05486	40.6
93.07050	38.8
95.04371	1.6
95.04973	24.5
95.08617	15.6
97.02899	5.6
97.06541	3.8
97.10181	4.0
99.04494	1.2
99.08124	1.1
105.04562	1.7
105.07037	30.8
107.04962	7.4
107.08604	13.2
109.06503	6.4
109.10155	3.0
111.04440	2.0
111.08088	7.4
113.05970	1.2
115.05480	1.6
117.07050	4.7
119.08591	21.7
121.06509	2.9
121.10138	8.4
123.08053	4.1
125.09649	1.3
127.07604	1.3
128.06238	1.8
129.07024	14.5
131.08585	8.5
133.06490	2.4
133.10136	11.5
135.11694	2.0
137.09659	1.6
142.07784	1.7
143.08543	4.3
145.05096	1.0
145.10097	4.8
147.08046	3.8
147.11696	26.5
149.09625	4.0
149.13304	1.0
157.10132	8.9
159.11664	1.1
161.09659	1.4
161.13248	5.8
163.11220	0.9
165.12770	2.9
171.11711	13.3
175.11208	8.6
189.12799	3.6
193.12254	21.3
207.13815	11.2
211.13297	23.1
225.15018	0.9
249.14926	0.9
267.15952	30.1
269.17484	2.0
281.17508	36.0
285.16986	20.6
447.27643	1.3
461.29004	1.0
473.29034	100.0
474.29391	3.0
491.30087	65.3
492.30310	1.8
544.54468	1.0
635.33490	2.6
639.32275	0.9
653.31982	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	4.9
61.66286	0.8
65.03945	2.3
67.05508	34.2
69.03441	4.0
69.07072	9.0
69.41954	0.8
70.12103	0.9
70.17358	2.6
70.17695	0.9
71.04989	2.7
73.02914	2.5
73.06568	1.4
77.03920	1.1
79.05495	52.9
81.03422	42.4
81.07057	35.6
83.04984	16.8
83.08615	13.2
85.02908	15.5
85.06540	2.2
91.03956	3.2
91.04907	1.8
91.05482	46.0
93.07047	52.2
95.04972	26.4
95.08611	19.2
97.02890	4.7
97.06548	5.1
97.10184	2.9
97.54224	0.7
99.08098	1.2
105.04517	1.4
105.07034	33.8
107.04942	8.1
107.08598	13.0
109.02918	0.9
109.06519	5.8
109.10167	3.7
111.04444	1.7
111.08092	7.7
115.05445	2.3
117.06997	6.0
119.04992	1.0
119.08588	23.6
121.06491	2.8
121.10165	6.9
123.08051	4.8
123.11766	1.3
125.09633	1.5
127.03938	1.3
128.06213	1.4
129.07007	14.7
131.08575	7.9
133.06520	2.2
133.10138	11.5
135.11667	1.6
137.09648	1.6
142.07774	1.6
143.08578	4.7
145.04901	0.9
145.10098	6.5
147.04422	1.1
147.08037	2.9
147.11691	33.2
149.09625	3.6
156.09340	1.0
157.10127	8.1
159.11681	1.1
161.09616	3.7
161.13272	8.2
163.06018	1.3
163.11147	1.1
165.12724	1.1
171.09439	0.9
171.11703	17.0
175.11171	7.5
176.76950	0.9
189.12772	6.2
193.12254	21.1
207.13803	20.1
207.15735	1.1
211.13293	20.5
250.27562	0.8
267.15927	30.1
269.17456	2.0
281.17487	92.1
285.16974	23.1
347.33469	0.9
455.28183	1.4
461.29034	1.7
473.29025	100.0
474.29086	2.5
491.30051	92.3
492.30380	1.8
635.33801	2.9
653.31702	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	849.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.2
67.05508	28.0
69.03430	8.0
69.07084	8.8
71.04984	4.3
71.53016	1.7
79.05499	31.7
81.03423	100.0
81.07062	33.8
82.44478	1.3
83.04982	15.7
83.08629	24.4
85.02908	18.5
85.06548	1.8
91.05489	39.8
93.07043	19.1
95.04973	28.8
95.08603	10.1
97.02893	5.3
97.06519	5.4
97.10182	10.9
99.04450	1.9
99.08048	1.5
103.05445	1.6
105.07042	24.3
107.04962	10.1
107.08596	9.4
109.02892	34.1
109.06528	5.7
109.10154	5.0
111.04455	14.2
111.08096	12.5
113.05997	2.7
115.05450	2.3
116.14819	1.3
117.07014	3.7
119.04926	2.7
119.07800	2.1
119.08595	22.1
121.06490	4.9
121.10158	10.0
123.08063	3.5
123.11716	2.3
125.02445	1.8
125.09632	4.7
127.03926	7.4
128.06227	1.7
129.07014	12.7
131.08572	14.4
133.06476	3.8
133.10143	12.8
135.08070	2.4
135.11694	1.4
137.09584	2.0
142.07785	3.9
143.08551	2.4
145.06538	2.0
145.10101	5.4
147.08034	5.5
147.11696	16.4
149.09644	8.8
153.12746	1.7
155.08537	2.8
157.06485	1.8
157.10136	15.8
161.05959	2.6
163.11183	5.1
165.12756	5.7
169.10121	1.5
171.11630	1.7
173.06010	1.6
173.09698	1.5
175.11189	14.1
181.12228	2.5
189.09004	1.4
189.11201	2.1
189.12790	1.2
191.10635	3.6
193.12256	51.9
211.13303	74.9
227.12796	8.3
229.14354	2.0
233.15446	1.6
249.14879	1.7
255.13876	1.6
259.13397	1.7
267.15933	23.0
273.14798	2.8
277.14316	3.0
285.17087	15.2
301.14325	11.2
303.15869	1.6
319.15472	8.3
337.16537	6.7
351.18021	3.4
353.64069	1.4
355.17624	7.8
367.22736	2.7
375.17953	1.8
385.23666	5.5
393.19186	1.9
403.24811	1.9
419.25665	1.2
459.27441	12.4
460.99982	1.3
475.95529	1.3
477.28522	17.1
493.26440	2.7
495.29529	28.9
501.27765	1.3
511.27383	1.9
529.27777	1.3
543.29517	1.4
547.28943	1.3
561.30341	2.9
585.30518	5.4
603.31482	2.9
621.32965	3.0
649.54181	1.2
795.42169	2.5
813.43164	4.1
831.45282	7.5
849.46063	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	3.1
61.02927	9.9
65.03931	3.7
67.05505	100.0
69.02697	0.5
69.03439	3.2
69.07075	8.7
69.07426	1.0
69.37486	1.5
69.37904	2.9
71.05000	3.9
71.08615	0.9
71.13326	0.5
71.51031	0.5
73.02926	3.5
79.05492	23.8
81.03418	2.1
81.07058	40.4
83.04984	1.6
83.08620	9.0
85.02908	14.8
85.06551	3.3
89.07890	0.7
91.03956	9.2
91.04477	1.0
91.05479	16.0
93.07045	28.7
95.04974	2.5
95.08610	29.0
97.02902	6.5
97.06535	1.1
97.10186	2.6
99.04455	0.8
99.08080	1.5
101.02392	0.5
105.07031	8.4
107.08601	16.9
109.06520	1.3
109.10159	81.5
111.08083	3.8
113.09727	0.7
115.03903	1.0
117.07034	3.5
119.08581	10.3
121.10144	11.8
123.08109	0.6
123.11722	3.4
125.09634	1.4
127.03936	3.2
127.11239	0.6
131.08585	6.9
133.10136	6.0
135.11693	8.4
137.09647	3.1
137.13275	1.8
143.66562	0.5
145.05003	3.8
145.10146	5.2
147.11685	3.5
149.13254	4.8
155.10660	5.1
159.11688	4.2
161.13246	3.8
163.05986	5.0
163.14798	2.8
173.11752	17.6
173.13275	4.2
175.14824	1.0
177.16359	0.8
183.11763	0.6
187.14771	2.7
189.11159	1.0
201.16382	0.9
227.12766	6.9
229.14359	99.7
230.14815	1.0
233.22681	1.1
243.21049	6.8
261.22134	23.9
263.23605	0.8
300.87115	0.6
317.24734	3.5
335.25809	82.1
336.26166	1.8
373.18481	0.7
377.26614	0.6
379.29788	1.3
397.30902	2.1
415.32266	1.4
435.31589	0.7
471.34659	2.6
489.35754	83.5
490.36157	1.9
507.36758	8.7
848.50305	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	848.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	3.2
61.02932	10.3
65.03949	2.5
67.05508	84.4
68.05836	0.5
69.03425	3.3
69.07071	7.2
69.16680	4.3
71.05004	3.5
73.02922	3.7
74.04359	0.4
79.05497	17.3
80.42531	0.4
81.03407	1.1
81.07059	33.3
82.45154	0.4
83.05007	0.8
83.08626	7.6
85.02908	14.1
85.06551	3.6
91.03966	8.5
91.05483	10.9
93.07050	22.1
95.04960	1.3
95.08611	24.7
96.04522	0.6
97.02893	7.4
97.06532	1.2
97.10160	1.9
98.21524	0.9
99.04459	1.2
99.08089	0.8
100.93739	0.4
101.02368	0.4
103.03940	0.5
105.04517	0.5
105.07030	7.4
107.08599	11.9
109.02893	0.8
109.06487	0.7
109.10162	73.9
110.10475	0.6
111.08112	3.1
112.95681	0.4
113.09595	0.4
115.03940	0.6
115.05514	0.5
117.07026	2.9
119.07803	0.8
119.08593	10.1
121.10152	10.7
123.08095	0.6
123.11703	3.7
125.09643	1.7
127.03919	3.3
131.08563	5.7
133.10138	4.3
135.11685	7.3
137.09625	3.1
137.13223	1.2
145.04956	4.4
145.10138	5.1
147.11681	3.3
149.13277	5.0
151.14825	0.6
153.12648	0.5
155.10674	6.5
157.10062	0.5
159.11700	4.3
161.13272	2.7
163.06027	4.8
163.14819	2.7
173.11775	19.1
173.13271	3.1
175.14897	0.9
177.16383	1.0
187.14775	2.2
189.11246	0.8
190.64183	0.4
191.14413	0.4
199.14856	0.5
213.14836	0.5
217.98418	0.5
227.12790	8.5
229.14362	100.0
230.14676	1.0
233.22459	0.8
243.21127	5.4
259.20572	0.8
261.22162	17.1
279.23169	0.5
317.24747	2.5
335.25815	63.5
336.26166	1.4
353.26843	0.6
379.29865	1.0
397.31009	1.6
415.32208	2.1
471.34753	2.4
489.35770	49.0
490.36267	0.9
507.36893	7.8
538.33240	0.4
620.25494	0.4
781.54724	0.5
848.49976	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.8
62.99452	0.3
65.03973	0.3
65.18855	0.3
65.19182	0.3
67.05508	4.5
69.03427	2.5
69.07072	2.4
70.20872	1.1
71.01352	0.5
73.02923	3.6
75.04488	0.3
79.05491	4.0
81.03422	1.9
81.07056	4.2
83.05003	0.7
83.08621	0.5
85.02911	4.2
85.87231	0.3
91.03959	2.1
91.05479	4.0
91.06017	0.3
93.07040	5.0
95.04966	1.0
95.08611	2.7
97.02895	3.8
97.06556	0.5
99.04455	0.5
101.02381	1.7
103.03947	0.4
105.07030	3.0
107.04939	0.5
107.08595	2.5
109.02920	0.4
109.06521	0.4
109.10174	1.1
111.08121	0.3
117.07034	1.3
119.08601	2.5
120.63853	0.3
121.10152	1.8
127.03931	0.9
129.06999	0.4
131.08583	1.2
133.10149	1.9
135.08054	0.4
135.11726	1.4
145.05008	0.3
145.10170	1.0
147.11719	1.1
149.13284	0.5
159.11702	0.8
171.11700	0.6
185.04291	0.7
203.05267	0.6
243.08409	3.2
259.20651	0.5
301.08908	1.5
315.10657	0.7
317.20972	0.3
333.20398	2.9
342.25253	0.3
357.16006	0.3
369.15677	0.3
373.11404	0.6
373.23517	0.4
385.18057	0.4
389.23126	0.5
406.87906	0.3
429.17368	0.6
439.19629	1.1
453.21115	0.8
465.21097	1.1
477.24234	0.4
535.28693	6.1
541.22504	0.5
551.28217	7.1
568.41357	0.3
572.45715	0.3
623.30261	1.5
845.50183	100.0
846.50629	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	847.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.5
67.05507	17.1
69.03435	9.7
69.07068	8.2
69.07416	2.1
71.04987	4.1
71.08641	18.6
71.52985	2.4
73.02899	2.0
79.05505	10.9
81.03428	46.0
81.07060	23.3
83.05002	10.1
83.08624	17.3
85.02911	17.7
85.10197	11.8
91.05495	13.5
91.40395	1.6
93.07043	6.1
95.04977	11.5
95.08617	20.1
95.67695	2.0
97.02904	11.7
97.06527	2.8
97.10174	6.2
99.04473	1.9
105.07036	10.6
107.04932	3.2
107.08614	7.2
109.02873	6.2
109.10169	7.8
111.04438	5.6
111.08086	5.9
119.08573	8.4
121.06517	1.9
121.10154	5.1
123.08092	1.8
123.11703	4.3
127.03928	7.1
129.05495	2.3
129.06989	4.6
131.08582	5.7
133.10153	5.9
135.11722	2.2
139.24860	1.9
140.86441	1.8
145.10188	2.0
147.08037	2.9
147.11734	9.2
157.10185	6.1
163.11221	3.5
165.12740	3.3
173.04468	3.5
175.11217	5.9
181.12309	2.8
193.12230	22.5
204.13966	2.1
211.13332	24.3
229.14308	2.0
239.23795	2.8
257.24612	2.2
267.16003	18.8
285.17038	7.3
309.16949	2.7
313.27399	49.3
319.15149	2.5
377.57886	2.0
390.93509	1.8
411.20001	3.4
429.21225	18.0
453.38879	1.8
505.39008	11.9
523.40027	100.0
524.40192	4.3
547.40442	2.7
569.28687	2.1
667.44177	21.1
847.36737	2.5
847.51752	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5627
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89964	1.7
61.02927	2.9
65.03913	3.8
67.05506	100.0
69.03416	4.4
69.07069	27.9
71.04988	5.2
71.12227	3.3
71.12540	1.9
73.02924	2.8
74.31824	1.6
75.50074	1.7
79.05496	57.9
81.03402	8.2
81.07059	87.2
83.04963	6.8
83.08617	17.9
85.02914	3.2
85.06516	4.6
86.09694	4.8
91.03975	1.6
91.05481	51.4
93.07045	75.4
95.04962	8.4
95.08608	54.2
97.06551	10.1
97.10147	9.5
105.07025	28.0
107.04940	5.3
107.08597	43.7
109.06485	6.3
109.10162	38.3
111.08055	5.6
117.07021	12.7
119.08592	29.1
119.09396	3.6
121.06494	2.6
121.10150	28.6
123.08018	4.6
123.11697	8.4
124.99964	2.3
125.09621	8.0
127.03940	2.8
129.07004	4.4
131.08582	20.7
133.10141	25.6
135.08008	3.8
135.11710	13.4
137.09599	2.3
139.11147	2.2
141.07031	1.9
143.08539	4.0
145.10123	15.3
147.11708	18.2
149.09615	6.8
149.13275	17.7
151.11111	2.8
153.12712	1.8
157.10143	3.8
159.11688	13.7
161.13280	10.3
163.11166	3.8
163.14848	4.0
165.12726	2.5
171.11682	5.3
173.11705	5.5
173.13284	9.3
175.14879	2.5
177.12743	3.3
183.11659	3.0
184.07339	12.9
185.13287	2.3
187.14847	2.7
189.11237	2.5
189.12799	2.0
195.13768	4.3
197.13235	2.4
215.17943	1.6
227.12785	6.1
229.14308	22.1
238.63795	1.8
243.08434	1.9
243.21025	4.2
247.20442	2.2
251.40393	2.0
257.19141	5.7
259.20633	4.5
261.22156	9.9
269.17490	35.1
275.20044	27.0
293.21109	5.5
311.99948	2.2
317.24701	2.5
333.24243	2.5
335.25809	89.2
336.26053	2.4
349.23715	16.5
367.24884	13.3
489.35788	19.4
515.37109	2.7
527.37158	2.9
529.38904	64.7
545.38129	2.6
609.45081	36.6
627.46021	23.9
686.73724	2.4
746.12390	2.1
820.90912	2.0
842.47070	5.4
843.48810	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	840.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08899	1.8
65.03942	4.1
67.05511	74.9
69.03413	4.2
69.07074	33.5
70.06588	5.8
71.05003	4.0
77.03926	3.1
79.05499	68.9
81.03416	5.4
81.07062	100.0
82.07396	2.1
83.04964	8.5
83.08621	16.9
85.02921	3.5
85.06540	4.9
91.05485	60.6
91.36340	1.9
92.05813	2.0
93.06487	3.3
93.07053	61.2
95.04974	13.8
95.08613	46.5
97.06521	8.1
97.10178	3.7
98.20707	4.6
99.08081	3.2
103.05474	3.1
105.04476	2.4
105.07036	74.0
106.07359	2.7
107.04977	11.8
107.08593	34.3
108.96819	2.0
109.05885	2.5
109.06535	21.0
109.10154	15.5
111.08082	7.1
116.06319	2.0
116.07071	8.9
117.07014	17.3
119.08596	54.2
120.99349	1.9
121.06563	3.4
121.10152	26.8
123.08087	10.1
123.11739	11.9
125.09630	4.1
129.07040	11.0
131.08582	31.3
132.08929	2.0
133.10136	46.8
134.10471	2.5
135.08038	8.2
135.11697	19.2
136.71864	2.0
137.09613	5.1
137.13211	2.2
139.11270	2.4
141.06947	3.5
142.98210	1.9
143.08572	10.6
145.06537	1.9
145.10143	29.0
147.11694	44.8
149.09659	9.3
149.13271	15.5
151.11125	4.3
155.08603	2.7
157.10110	11.8
159.08110	2.8
159.11696	21.2
161.09608	3.1
161.13268	20.1
163.11197	8.3
163.14868	4.7
165.12762	6.6
165.33110	2.0
169.10030	3.0
171.11674	10.0
173.13307	9.4
175.11249	4.3
175.14832	6.6
177.12737	3.5
183.11639	2.3
184.07350	3.6
185.13260	7.6
187.11266	2.4
187.14847	5.2
189.16351	2.6
193.12189	2.5
195.13722	2.0
199.14868	3.5
209.13225	3.1
213.16418	2.7
217.16031	2.4
229.19582	4.6
231.21117	3.1
241.19513	16.5
247.20604	2.6
257.18997	8.3
259.20596	50.7
267.15976	2.7
273.18451	2.1
275.17303	3.3
275.20117	43.5
277.21585	2.6
291.19577	3.6
293.21213	16.3
297.18250	2.0
315.23138	5.2
333.24249	75.4
335.25717	11.4
347.21933	2.0
349.23727	16.9
350.23889	2.1
351.25229	6.1
365.23297	3.0
367.24799	52.5
438.37354	2.0
527.36884	3.6
533.39825	4.8
544.37262	3.2
545.37738	5.1
551.40619	6.0
607.43671	21.1
625.44604	64.3
643.45563	9.3
681.71014	2.2
785.28821	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	3.7
65.03933	5.0
67.05507	90.3
69.03436	8.6
69.06738	2.2
69.07072	36.6
70.11332	6.2
71.04983	5.7
71.08609	2.5
73.02915	2.4
77.03907	1.6
78.08370	1.5
79.05495	84.2
81.03421	13.6
81.07059	100.0
83.04981	11.8
83.08617	20.4
85.02898	6.3
85.06532	5.1
91.05482	85.9
93.07045	89.1
95.04975	10.8
95.08610	62.0
95.09120	1.1
95.09238	1.8
97.02878	4.4
97.06539	11.5
97.10143	9.0
99.08079	3.4
103.05487	3.8
105.04488	3.0
105.07035	87.4
107.04955	7.8
107.08594	55.3
109.06506	8.6
109.10173	24.5
111.08073	6.4
113.09610	1.8
115.05453	3.7
117.07021	33.4
119.04959	1.9
119.08582	65.7
121.06516	4.3
121.10139	30.7
123.08060	4.7
123.11697	8.7
125.09609	5.2
127.03911	3.0
128.06239	4.6
129.05519	2.3
129.06998	21.2
130.07732	2.7
131.08565	42.5
131.09532	3.2
133.06474	2.7
133.10136	52.6
135.08037	6.0
135.11679	25.8
137.09619	3.8
141.06990	5.5
142.07726	3.7
143.08557	23.0
144.09267	2.1
145.06482	3.3
145.09241	0.8
145.10123	36.4
147.08029	3.5
147.11691	38.0
149.09648	9.3
149.13278	15.7
151.11172	3.9
152.45413	1.6
153.06953	1.9
155.08551	11.1
157.10135	24.1
159.08058	2.2
159.11699	29.1
161.09612	3.3
161.13257	17.1
163.11235	7.6
163.14824	4.8
165.12830	2.6
167.08554	6.5
169.10139	13.0
170.10912	2.4
171.10239	2.8
171.11665	20.3
171.82622	1.5
173.04530	2.5
173.09561	1.8
173.13234	17.1
175.11165	2.5
175.14778	7.8
177.12775	4.3
181.10117	8.2
181.12199	1.7
182.10931	2.4
183.11682	13.3
185.09686	1.8
185.13234	16.1
187.11240	2.3
187.14793	7.4
189.11211	2.7
189.12733	3.2
189.16460	2.1
193.10223	2.0
193.15787	1.8
195.11633	5.5
195.13776	3.4
197.13289	11.5
199.11145	1.8
199.14848	7.4
201.16362	3.0
203.14232	2.0
207.11740	3.7
209.13234	6.2
211.14801	6.9
213.16414	5.1
215.17932	3.2
221.13284	3.6
223.14822	5.4
225.16422	2.7
227.12772	4.9
227.18045	2.7
229.14311	1.8
229.19485	3.0
231.17456	2.0
231.21066	2.7
235.14732	2.3
235.17015	1.9
237.16411	2.1
239.17879	3.9
241.19600	14.4
245.19034	2.2
255.15727	9.2
257.19000	7.4
259.20566	42.3
261.22122	2.6
269.17410	13.6
271.20563	2.9
273.18622	2.4
275.20090	18.4
283.20572	2.4
287.20197	1.8
289.21793	2.7
291.19623	3.2
299.20007	1.6
309.22220	2.3
311.20013	1.8
313.21594	3.7
315.23145	6.8
333.24252	46.4
335.25964	2.5
341.24768	1.9
349.23828	16.6
351.23166	2.1
365.23447	1.7
367.24808	2.8
403.29898	2.0
417.31528	2.4
421.30850	5.6
435.32434	6.0
453.33768	4.9
471.34540	3.6
487.33405	1.9
501.35345	2.2
509.36188	3.0
513.35718	28.7
515.38434	7.9
527.37317	43.9
531.36798	2.6
533.39844	4.2
543.36792	2.1
545.38171	6.4
551.40723	2.7
555.36212	2.6
567.39996	2.6
597.45667	2.3
607.43457	34.6
625.44653	33.0
626.91364	1.8
671.40833	2.6
689.42535	2.8
787.48743	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	840.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	3.5
67.05180	4.7
67.05511	59.1
69.03430	4.8
69.07067	27.4
69.73597	15.0
71.04966	5.6
74.68539	2.5
79.05076	5.0
79.05501	66.8
81.03427	4.3
81.07064	59.6
83.04968	5.1
83.08632	19.8
85.02902	3.7
85.06528	3.3
91.04980	3.9
91.05494	53.7
93.07042	45.9
94.41492	2.9
95.04955	8.0
95.08609	28.3
97.02901	2.8
97.06525	11.2
97.10183	25.0
105.07043	63.0
107.04954	5.7
107.08601	54.7
109.06503	5.1
109.10175	22.4
111.08117	3.9
115.05419	4.2
117.07035	24.1
119.08592	48.5
121.10145	19.5
123.11704	8.6
125.09632	24.6
127.03931	3.4
128.33713	2.8
129.06998	15.2
131.08578	30.1
133.10133	40.9
134.91919	2.6
135.08115	4.2
135.11674	14.0
141.07048	6.3
142.07793	3.2
143.08589	17.3
143.09541	2.7
145.10159	23.6
147.11722	20.0
149.09665	7.2
149.13249	6.0
153.09055	4.0
155.08554	6.7
157.10120	16.6
159.11731	14.1
161.13286	7.9
167.08595	4.0
169.10103	11.0
171.11717	14.2
173.13231	11.9
175.14827	6.5
181.10133	6.6
183.11681	12.0
184.07376	5.4
185.13290	14.0
187.13248	6.5
187.14795	4.9
189.11188	9.1
193.10150	3.7
195.11734	7.1
197.13258	9.9
199.14807	10.2
209.13251	4.8
211.14906	4.1
214.15958	6.2
223.14780	4.8
225.16359	3.7
227.12773	18.9
237.16411	4.7
239.18001	4.7
241.19479	9.8
243.15964	5.1
245.13614	3.7
257.19049	5.8
259.20654	20.1
275.20105	13.6
315.23248	4.9
333.24240	16.0
344.25882	14.4
349.23773	16.4
365.24203	3.1
365.28366	10.7
381.31760	4.7
383.29108	4.1
439.31790	4.3
503.33255	4.8
513.36145	14.9
515.38568	7.5
533.39905	4.1
589.42340	3.9
607.43604	49.3
625.34540	5.3
625.44617	100.0
840.55518	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	840.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	1.9
65.03933	5.3
67.05507	85.6
69.03422	7.4
69.06731	2.8
69.07072	36.8
70.55859	5.3
71.04990	5.3
73.02923	3.1
79.05498	74.3
81.03432	9.6
81.07059	100.0
83.04964	10.7
83.08620	19.1
85.02891	5.2
85.06542	6.6
87.04445	1.9
91.05482	84.0
93.07047	80.8
95.04980	13.7
95.08611	51.5
97.02911	5.0
97.06547	14.0
97.10188	7.7
99.03815	1.6
99.08099	5.3
103.90146	2.1
105.07037	76.9
106.07378	2.0
107.04955	6.0
107.08604	50.5
107.19176	1.8
109.06524	8.6
109.10155	22.8
111.08102	7.7
115.05455	4.0
117.07018	30.8
119.08590	61.4
121.06505	5.6
121.10152	30.7
123.08068	7.3
123.11705	7.5
125.09589	4.7
128.06224	2.8
129.07013	16.3
130.07813	2.7
131.08577	41.0
133.06490	2.0
133.10139	55.7
135.08073	5.4
135.11691	23.7
137.09605	4.5
141.06979	5.7
142.07811	3.6
143.08565	15.2
145.06503	2.4
145.10135	27.7
147.08034	1.9
147.11708	36.5
149.09636	9.7
149.13251	18.4
151.07538	2.1
151.11179	3.0
153.07031	2.1
155.08572	10.9
157.10139	19.9
158.69090	1.7
159.08008	2.0
159.11699	32.4
161.09676	3.2
161.13260	19.2
163.11166	7.2
163.14882	2.9
165.12688	2.6
167.08566	4.6
167.15895	1.6
169.10098	10.0
171.11690	20.2
173.04449	2.6
173.09608	2.1
173.13284	14.0
175.11171	3.9
175.14851	8.7
177.12793	3.8
181.10170	3.6
181.12163	1.6
183.11708	8.5
185.13269	11.1
186.11070	1.5
187.14827	7.9
187.59384	1.7
189.12700	2.8
195.11688	6.0
195.13591	3.0
197.13255	8.3
199.14854	6.7
207.11806	2.7
209.13264	4.1
211.11281	2.2
211.14870	4.4
213.16386	4.8
217.19496	1.9
223.14888	3.8
231.21126	3.1
237.16580	1.8
239.17917	2.7
241.19537	18.0
253.14281	3.1
255.15872	13.4
257.18985	5.2
259.20572	47.7
261.22174	3.5
267.15823	4.2
269.17471	26.5
273.18573	3.6
275.20160	15.6
276.20282	1.9
289.21490	1.6
291.19745	2.1
293.21255	2.1
297.22119	2.1
311.20160	2.2
315.19943	1.6
315.23248	7.5
333.24268	41.6
335.25833	4.9
341.56946	1.6
349.23761	9.6
351.25562	1.8
367.24692	5.8
385.87604	1.7
417.31699	3.0
421.30579	2.5
435.32568	9.3
453.33600	6.4
465.33539	1.8
471.35110	2.0
493.12714	1.8
495.34613	1.8
509.36322	4.3
513.35785	17.7
515.38153	4.6
527.37329	64.2
528.37317	2.7
531.36603	3.5
533.40009	3.7
545.38342	9.9
551.41168	2.2
607.43634	20.7
625.44464	26.6
635.39478	2.7
689.43317	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	838.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
62.16418	1.4
65.03945	5.1
67.05505	80.5
69.03426	6.3
69.07065	25.6
71.05015	9.0
71.13236	2.9
71.13576	2.1
77.03939	1.9
79.05496	65.3
81.03434	9.6
81.07060	87.7
82.07404	1.7
83.04643	1.4
83.05003	14.5
83.08614	12.5
84.71665	1.5
85.02905	4.8
85.06543	8.7
87.04456	4.0
91.05486	100.0
93.07048	75.9
95.04973	15.2
95.08611	48.4
97.06535	13.1
97.10166	4.2
99.04470	2.7
99.08077	2.5
103.05461	2.8
105.04512	3.4
105.07036	98.5
107.04975	9.5
107.08599	54.4
109.06515	8.8
109.10161	57.8
111.04401	2.0
111.08094	6.7
113.06044	2.0
115.05492	3.8
116.68073	1.5
117.07026	28.6
117.77164	1.4
119.08587	58.9
121.06515	9.6
121.10152	23.3
123.08095	5.2
123.11693	11.2
125.09622	3.5
127.07567	2.2
128.06227	5.5
129.07034	15.2
130.07802	1.5
131.08575	35.3
133.06520	5.0
133.10141	91.4
135.08044	7.6
135.11681	17.3
137.09613	4.4
141.07016	4.5
142.07748	3.2
143.08565	17.2
145.06538	1.5
145.10147	26.5
147.08043	4.8
147.11691	32.5
149.09586	9.0
149.13240	5.9
151.11212	26.5
153.09065	1.8
155.08514	5.0
157.10156	13.8
159.08084	3.4
159.11726	18.8
161.09637	6.3
161.13263	19.3
163.11208	4.3
167.08589	1.9
169.10193	5.0
169.12285	5.6
171.07990	2.0
171.11690	14.6
173.09618	3.6
173.11977	1.7
173.13235	8.7
175.11211	4.7
175.14865	7.1
177.12798	2.9
179.08633	1.9
179.10663	1.8
179.14285	2.6
181.10147	2.2
183.11729	6.2
185.13228	10.8
186.01935	1.6
187.11273	2.3
187.14891	3.6
189.12839	3.4
193.10330	2.2
193.12148	3.7
195.11705	3.8
197.13251	4.3
199.11244	1.7
199.14870	5.5
203.14458	2.0
209.13252	2.8
213.16284	3.5
215.12718	2.8
217.19423	2.7
221.13350	2.4
229.14229	2.7
231.21094	3.3
237.16452	2.2
239.17856	1.9
241.19536	17.9
242.26366	1.9
245.19116	2.8
253.14346	64.1
255.17764	1.8
257.19040	4.2
259.20596	47.3
263.20190	4.3
271.15256	3.2
273.18564	13.4
275.20157	5.5
289.18100	6.2
289.21957	1.5
291.19501	15.9
297.22131	1.8
313.21518	2.0
315.23227	11.4
333.24280	44.2
335.25845	5.0
339.23245	1.9
347.22556	3.2
349.23770	3.8
363.21753	1.9
365.23257	26.3
392.81491	1.7
427.32523	1.8
437.05222	1.8
437.30627	3.1
455.31439	1.9
501.35934	4.7
511.34171	16.3
513.36938	2.4
525.35339	2.0
529.35327	22.3
531.38245	3.8
543.36603	3.1
549.39233	5.4
605.41736	10.9
623.43134	46.8
641.44250	13.2
757.60504	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	2.3
60.11503	1.2
60.50584	1.3
65.03945	4.2
67.05507	78.9
69.03123	1.6
69.03437	12.8
69.07071	51.0
69.96414	4.4
71.04980	8.8
79.05495	83.7
81.03413	11.8
81.07058	85.9
83.04985	9.1
83.08627	21.5
85.02892	3.6
85.06539	4.2
87.04457	4.9
91.05483	93.1
93.07047	71.6
95.01356	2.4
95.04985	16.0
95.08607	46.2
97.02883	11.6
97.06526	15.2
97.10178	20.8
98.06032	1.3
99.04473	1.6
99.08110	4.0
103.05457	2.7
105.04530	3.9
105.07032	91.0
107.04940	12.3
107.08601	49.0
109.02881	1.8
109.06524	8.6
109.10153	21.9
111.08090	5.3
115.05478	4.6
117.06240	2.0
117.07024	30.6
119.04939	1.9
119.08585	64.9
121.06511	8.3
121.10146	27.5
123.04410	1.8
123.08090	9.3
123.11712	4.5
125.09621	15.7
128.06242	2.7
129.05522	1.9
129.07004	20.9
130.07858	1.5
131.08574	43.2
133.06503	4.6
133.10133	55.7
135.08054	8.5
135.11691	17.4
137.09584	4.2
141.06975	3.8
142.07799	3.1
143.08586	12.7
144.09274	2.1
145.10129	35.0
147.08028	7.5
147.11702	36.1
149.09599	8.8
149.13274	11.9
151.11189	3.4
153.09084	2.3
155.08571	6.6
156.09383	2.4
157.10141	17.2
159.08026	2.1
159.11688	25.3
161.09604	4.6
161.13251	21.7
162.10312	1.4
163.11166	7.5
163.14803	3.0
165.09160	2.8
165.12767	1.4
167.08536	2.7
169.10078	8.3
171.08115	1.5
171.11671	16.2
173.09608	1.9
173.13258	12.9
175.11180	5.2
175.14828	8.4
177.12750	5.0
179.14388	2.5
181.10132	4.1
183.11668	6.3
185.09622	1.5
185.13232	10.1
187.11227	1.7
187.14807	4.8
189.11328	9.7
189.12758	2.5
193.12230	2.0
195.11687	4.3
195.13675	1.6
197.13306	4.6
199.14815	6.3
205.12241	2.5
209.13290	3.8
211.14857	3.5
213.16420	4.1
221.13338	1.6
223.13258	20.7
223.15121	1.7
227.12752	10.4
229.19484	2.1
231.21095	3.9
233.15416	1.7
239.18031	6.7
241.19547	21.5
245.13550	2.1
249.14891	3.4
257.18994	6.5
259.20593	48.3
269.17444	5.8
273.18536	12.0
275.20065	36.7
291.19543	100.0
292.19839	1.5
293.21075	3.2
299.23734	1.9
309.21927	1.7
313.21552	1.7
315.23166	6.8
333.24261	55.4
349.23804	27.2
365.23233	43.0
367.24741	5.6
379.29950	4.7
451.32327	1.6
462.78339	1.5
469.33096	1.4
511.33923	2.5
525.35913	11.2
529.35083	5.9
531.38422	3.9
543.28510	1.8
543.36798	30.1
549.39642	2.6
553.34406	1.6
605.42206	7.8
623.43060	82.3
641.44012	29.6
642.43665	1.8
749.45752	2.1
827.39453	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.7
67.05505	54.0
69.03419	6.7
69.07070	37.8
70.67934	1.7
71.04976	4.6
71.53738	2.7
79.05072	3.1
79.05499	48.2
81.03425	9.4
81.07058	64.3
83.04996	10.7
83.08615	13.1
83.38000	1.7
85.02914	2.4
87.04488	8.0
91.05483	60.3
93.07049	50.2
95.01347	8.7
95.04977	12.1
95.08063	2.7
95.08615	36.7
97.02882	2.7
97.06529	36.7
97.10162	10.2
97.12413	1.6
99.08092	3.2
105.07034	88.9
107.04964	18.5
107.07882	2.5
107.08600	38.4
109.02879	1.7
109.06522	7.8
109.10176	11.3
111.04335	1.7
111.08075	2.8
117.07024	21.1
119.08585	43.7
121.06497	5.5
121.10155	13.1
123.08094	4.3
123.11687	3.0
125.09612	8.3
129.07037	6.7
131.08569	27.0
133.10132	49.7
135.08058	6.6
135.11713	10.4
137.06035	1.7
137.09619	2.9
139.07550	2.0
143.08554	8.9
145.06476	3.2
145.10126	18.6
147.08041	4.0
147.11688	20.5
149.09613	15.3
149.13246	6.1
155.08490	3.2
157.10144	5.4
159.07988	1.9
159.11702	16.3
161.09673	3.8
161.13243	9.0
163.11192	7.0
165.09094	3.5
165.12831	2.0
166.78027	1.6
169.10161	3.4
171.11673	6.4
173.13274	6.1
175.11090	1.6
177.12738	4.3
179.14281	12.2
185.13286	3.5
187.11165	3.6
187.14850	2.0
189.11203	3.3
189.12766	2.0
191.78156	1.7
195.13803	2.1
197.13309	2.4
204.75929	2.0
219.17491	4.0
227.12787	16.0
229.14275	2.1
229.19638	2.6
231.88812	1.9
233.18840	2.3
239.17920	3.9
253.27286	1.8
257.19046	12.4
257.48517	1.9
259.20676	2.4
269.17548	7.1
273.18497	4.3
275.20071	100.0
279.15988	3.4
291.19540	4.2
293.21048	7.4
331.22479	5.4
349.23758	78.7
350.23859	2.5
365.23105	1.9
367.24719	2.6
503.33325	2.5
519.33276	2.0
527.37158	2.8
529.35382	13.8
541.08820	2.4
543.28442	2.2
543.36816	50.7
605.41730	6.4
623.43073	81.1
633.62280	1.9
641.43384	9.4
687.41522	2.6
838.54840	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	838.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	4.1
61.02925	2.0
65.03932	3.3
66.55316	1.1
67.05508	76.8
69.03426	5.1
69.07076	16.3
71.01358	2.0
71.05000	6.7
71.54095	1.5
73.02921	2.7
79.05499	34.9
81.03423	100.0
81.07064	36.1
83.01338	1.2
83.04990	13.3
83.08624	28.4
85.02917	9.2
85.06528	3.8
87.04458	2.6
91.05484	31.1
93.07048	21.9
95.04977	31.8
95.08609	16.0
97.02912	5.4
97.06004	1.1
97.06543	7.4
97.10172	17.0
99.04469	1.7
105.07039	24.2
107.04967	18.0
107.08600	17.7
109.02904	1.5
109.06522	9.9
109.10165	59.7
111.04453	4.5
111.08083	12.7
113.06013	1.5
115.05437	2.6
117.07009	6.8
119.04937	1.6
119.08590	23.1
121.06551	6.7
121.10148	12.2
123.04408	3.0
123.08060	5.0
123.11711	1.6
125.09651	14.7
128.06223	1.2
129.05513	2.2
129.07005	13.5
131.04959	2.2
131.08577	15.5
133.06523	5.6
133.10147	8.1
135.08047	5.7
135.11708	7.4
137.06001	3.1
137.09639	5.8
139.11140	1.4
141.07057	1.2
142.07806	2.4
143.08549	2.7
143.10745	1.1
145.06493	2.6
145.10165	9.2
147.04401	5.7
147.08046	7.3
147.11693	10.5
149.06012	2.1
149.09642	8.7
153.09093	3.1
153.12773	5.5
155.08595	2.1
155.10638	6.1
157.06546	1.7
157.10130	13.6
159.08055	1.7
159.11731	2.6
161.05922	1.6
161.09630	3.4
163.11180	13.0
165.12744	2.2
169.10146	1.4
171.11772	1.7
173.09657	4.1
173.11746	13.5
173.13185	2.4
175.11220	13.0
181.12286	5.8
187.11288	2.3
189.11195	5.3
189.12718	1.4
191.10759	5.5
193.12270	31.1
199.13313	2.9
203.14348	1.4
205.12244	2.9
209.11717	8.5
211.13258	9.6
217.14352	4.8
219.13799	3.5
221.67465	1.5
223.13179	1.6
227.12784	20.1
229.12387	1.7
229.14363	45.3
231.13815	4.1
232.14529	1.5
233.15286	1.9
235.13382	2.5
247.13326	4.1
249.14792	5.4
259.13290	4.4
259.15640	1.4
267.15933	95.6
268.16275	1.5
273.15125	2.2
273.18481	3.8
277.14517	1.7
283.15469	12.1
285.17197	2.0
289.18057	2.6
293.17453	1.7
301.16595	8.4
309.16928	2.7
321.16995	1.4
333.16913	1.3
347.22348	2.1
349.21686	1.9
351.17902	1.2
355.22681	3.5
360.13342	1.1
363.21719	1.8
365.21149	3.1
367.22748	4.5
373.23651	4.6
383.22299	6.5
385.23752	4.6
391.24744	1.4
399.23816	15.3
401.23221	10.3
403.24655	3.0
409.25674	2.2
419.24133	4.1
420.12781	1.5
421.25897	23.1
457.25888	2.7
458.26666	14.5
459.27386	8.8
475.26978	19.5
476.27707	20.8
477.28452	3.9
479.29532	1.4
493.28091	13.9
511.28864	4.5
518.32330	4.9
527.33563	1.3
573.34216	2.2
591.35236	10.1
629.42175	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	0.4
61.02931	6.2
65.03944	1.7
66.92685	0.2
67.05508	33.2
69.03429	2.9
69.07071	12.2
70.78429	0.5
71.01376	0.6
71.04997	4.2
71.08643	0.4
72.24091	0.3
73.02919	2.6
77.03944	0.4
79.05496	24.2
81.03422	34.0
81.07060	43.7
83.04988	8.9
83.08623	17.9
85.02909	17.4
85.06537	2.6
87.04465	0.6
88.94445	0.3
91.03966	5.1
91.05486	20.9
93.07048	33.4
95.04974	13.9
95.08613	11.8
97.02890	5.1
97.06541	6.2
97.10159	2.4
99.04455	1.1
99.08081	1.9
101.05984	0.3
103.03974	0.3
105.04533	0.7
105.07032	13.2
107.04960	3.9
107.08598	18.4
109.02943	0.4
109.06523	3.3
109.10164	2.5
111.04472	1.5
111.08085	8.2
111.11698	0.4
113.06015	1.5
113.09669	0.6
115.05460	0.9
117.07026	4.4
119.08588	9.5
121.06538	1.3
121.10149	12.4
122.17931	0.3
122.88437	0.2
123.08083	1.4
123.11713	1.9
125.09640	1.1
127.03914	1.5
127.07544	0.4
128.06175	0.2
129.07019	5.5
131.08572	10.1
133.06476	1.9
133.10143	9.6
133.78214	0.2
135.08057	0.8
135.11691	4.1
137.09651	0.9
139.11192	0.9
142.07796	1.0
144.06604	0.3
145.04987	1.1
145.10123	0.8
147.08047	1.7
147.11693	7.6
147.12805	0.5
149.09642	4.0
149.13264	15.5
151.11201	0.8
155.08540	0.3
157.10150	7.7
159.11693	5.9
163.06033	2.0
163.11217	0.6
165.12747	1.7
167.14423	0.4
175.09830	0.2
175.11194	7.9
177.12738	3.4
193.12254	21.0
195.13808	4.8
211.13300	22.3
212.13454	0.3
213.14856	1.1
227.12741	0.3
249.14827	0.4
251.16335	0.4
267.12970	0.6
267.15936	18.7
269.17487	67.3
270.17862	0.9
285.16971	20.5
286.17413	0.4
341.24683	0.3
369.24182	0.4
378.40244	0.3
387.25342	0.5
413.21759	0.7
417.35721	0.3
433.29166	0.3
435.27460	1.9
443.27756	1.0
461.29013	43.6
462.29355	1.0
479.30066	100.0
480.30347	2.6
623.34363	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	838.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	0.5
61.02644	0.5
61.02934	5.8
65.03939	1.0
67.05510	20.9
69.03434	2.8
69.07072	6.9
69.33633	0.5
69.34039	1.9
71.05002	3.4
73.02923	2.2
76.53263	0.3
79.05499	18.4
80.79331	0.3
81.03424	27.4
81.07063	30.0
83.04988	6.6
83.08624	13.4
85.02914	15.6
85.03446	0.5
85.06542	1.6
87.04469	0.5
88.13830	0.3
91.03971	4.5
91.05486	17.1
93.07050	19.9
95.04979	11.9
95.08611	7.3
96.04524	0.3
97.02892	4.7
97.06537	3.8
97.10185	2.0
98.20613	0.3
99.04466	0.9
99.08090	1.5
103.05479	0.4
105.04530	0.6
105.07037	10.7
107.04972	3.5
107.08603	9.9
109.02901	0.5
109.06540	2.5
109.10144	2.0
111.04469	1.6
111.08087	6.7
113.06017	1.2
115.05454	0.7
117.07038	2.9
119.04951	0.6
119.08592	8.3
121.06533	1.3
121.10161	6.9
123.04473	0.3
123.08047	1.4
123.11711	1.9
125.09623	0.9
127.03918	1.7
129.07018	4.2
131.08585	7.4
133.06511	1.3
133.10149	8.9
135.08080	0.7
135.11699	2.5
135.27524	0.3
137.09613	1.0
137.15355	0.3
142.07776	0.8
145.04962	1.6
145.10138	1.1
147.08096	1.7
147.11696	6.8
149.09630	3.2
149.13269	6.0
151.11147	0.6
155.08606	0.3
157.10139	6.2
159.11681	3.4
163.06039	1.9
163.11237	0.5
165.12732	1.4
175.11186	7.3
177.12766	1.6
185.13245	0.3
193.12260	19.8
195.13815	4.9
209.29356	0.3
211.13304	22.1
212.13715	0.4
213.14915	0.6
237.14856	0.3
249.14952	0.5
251.16423	0.4
267.15936	13.7
268.16364	0.5
269.17499	26.4
270.17807	0.6
285.16989	24.7
369.24576	0.4
387.25345	0.4
413.21872	0.6
435.27451	0.7
443.28055	2.1
461.29034	26.1
462.29337	0.4
479.30081	100.0
480.30460	1.9
503.29953	0.5
560.36700	0.4
587.32202	0.7
605.33331	1.0
623.34241	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	838.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04959	0.5
61.02927	6.8
65.03928	1.4
67.05507	35.5
69.03439	4.3
69.07074	12.9
69.07437	0.5
70.14398	1.5
71.01344	0.9
71.04988	4.2
73.02921	2.5
77.03896	0.6
79.05496	28.7
81.03422	48.7
81.07061	47.6
81.07759	0.8
82.03739	0.6
83.04986	11.5
83.08621	20.9
85.02910	21.3
85.06548	2.8
87.04464	0.5
89.37686	0.4
91.03493	0.5
91.03969	5.3
91.04496	0.8
91.04913	0.9
91.05486	25.7
93.07047	35.3
95.04975	19.1
95.08610	12.5
96.04477	0.6
96.51013	0.4
97.02899	6.3
97.06532	7.3
97.10173	4.0
99.04424	0.7
99.08078	1.5
105.07037	16.4
107.04966	4.3
107.08598	18.1
109.06531	3.7
109.10177	2.9
111.04424	1.7
111.07394	0.7
111.08091	10.6
111.11681	0.7
113.05961	1.3
113.09625	0.5
115.05421	1.0
117.06343	0.5
117.07026	4.9
119.08585	12.4
121.06503	2.3
121.10153	15.2
123.08046	1.7
123.11720	2.2
125.09617	1.7
127.03892	1.7
127.07524	0.8
129.07005	7.6
131.08578	11.9
133.06454	1.6
133.10139	9.7
135.08018	1.0
135.11685	4.4
137.09602	1.4
139.11125	0.5
142.07727	1.9
145.04915	1.3
145.10080	1.2
147.08037	1.6
147.11694	9.5
149.09627	4.9
149.13275	16.1
151.11139	1.0
157.10133	9.2
159.11699	6.9
163.05995	2.0
163.11186	0.8
165.12794	2.9
175.09778	0.7
175.11189	10.8
177.12733	2.9
193.12251	28.0
195.13806	6.2
211.13293	31.2
213.14874	0.5
223.13336	0.4
249.14955	0.6
260.38541	0.5
267.15939	31.7
268.16196	0.5
269.17484	58.2
279.33530	0.5
285.16959	27.2
369.24371	0.7
381.10352	0.5
435.27536	2.3
435.33307	0.4
443.27777	0.8
461.29001	81.5
462.29385	1.4
479.30066	100.0
480.30533	1.8
623.34082	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	0.9
64.33598	0.3
67.05232	0.3
67.05506	3.1
69.03434	3.2
69.07071	2.7
71.04981	0.7
71.52964	0.6
71.93994	0.3
74.06928	0.3
79.05493	1.5
81.03410	1.3
81.07053	7.6
83.08618	1.7
85.02911	16.0
85.06539	0.5
87.43389	0.3
91.03937	1.1
91.05476	3.7
93.07041	5.0
95.04999	0.3
95.08610	20.5
97.02898	4.0
97.06483	0.6
97.10144	1.6
99.04450	0.9
105.07034	12.3
107.08595	8.5
109.02875	1.4
109.10161	16.4
111.08076	3.0
111.11718	0.4
111.56723	0.3
113.09613	0.4
119.08590	11.1
121.10145	9.0
121.11030	0.4
123.10831	0.5
123.11720	8.7
125.09626	0.7
127.03921	5.2
131.08623	0.6
133.10133	12.8
135.11713	2.6
136.07607	0.6
137.09625	2.7
137.13260	0.9
139.03894	0.6
145.04968	9.2
145.10144	0.8
147.04402	0.9
147.11694	21.5
149.13277	5.5
153.12729	1.1
159.11749	0.8
160.12495	0.4
161.13264	9.7
163.03961	0.4
163.06010	5.2
163.14880	1.7
165.12767	0.7
175.14812	2.5
177.16400	0.8
191.05472	0.5
193.19492	0.7
201.16350	0.5
203.17961	100.0
204.18237	1.1
219.10204	0.4
221.19014	79.7
222.19389	1.1
239.20081	9.7
249.75623	0.3
262.21771	0.6
281.52963	0.3
289.09131	0.4
325.11328	5.4
334.08047	0.3
365.23346	2.3
383.24329	5.6
401.25168	0.7
441.37418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	0.2
65.03948	0.1
67.05506	2.4
69.03431	0.4
69.07059	0.9
69.61382	0.1
70.63179	0.4
71.04998	0.1
73.02914	0.2
77.42399	0.1
79.05489	1.0
80.05180	0.1
81.03413	0.3
81.07059	6.3
83.08598	0.5
85.02908	3.4
87.04513	0.1
91.05477	0.9
93.07040	2.2
95.08610	17.7
97.02905	0.6
97.06544	0.2
97.10164	0.5
99.04450	0.1
105.07033	5.0
107.08595	3.8
109.02897	0.4
109.03599	0.1
109.10159	9.0
109.56197	0.1
111.08101	0.1
117.07048	0.2
119.08585	8.6
121.10149	4.0
123.11715	6.5
127.03929	1.0
128.10826	0.1
131.08583	0.1
133.10133	4.2
135.11700	1.2
137.09618	0.3
137.13254	0.2
145.04955	1.7
145.10129	0.5
147.11691	11.3
148.12227	0.1
149.13228	0.6
159.11749	0.2
160.12476	0.4
161.13268	2.8
163.06013	1.5
163.14807	0.8
169.84286	0.1
173.04433	0.2
173.13307	0.2
175.14827	0.8
177.16382	0.2
188.15598	0.3
195.67601	0.1
201.16406	0.3
203.17960	100.0
204.18311	1.1
221.16833	0.2
221.19020	4.5
239.20085	0.7
325.11285	1.0
347.22098	0.2
365.23291	1.2
383.24234	0.4
401.24927	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	836.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66465	1.0
61.02926	8.4
63.40593	1.3
67.05182	1.1
67.05509	13.0
68.49021	1.0
69.03432	3.7
69.07066	3.3
71.04995	2.6
71.53335	1.5
73.02905	2.0
79.05498	13.2
81.03421	58.7
81.07059	18.5
83.04970	6.4
83.08619	15.0
85.02905	16.6
91.03938	5.4
91.05479	16.3
93.07058	9.6
95.04971	20.9
95.08617	6.3
97.02892	8.4
97.06521	2.6
97.10172	2.8
98.23377	1.0
99.08094	1.2
100.07613	3.1
105.07042	12.0
107.04973	5.5
107.08583	6.0
109.06494	2.8
109.10152	3.1
111.04475	1.6
111.08069	5.6
113.05961	1.6
117.07016	3.7
119.08592	11.7
121.06516	3.3
121.10159	7.1
123.04359	1.2
123.08070	2.2
123.11687	1.4
125.09614	2.5
127.03905	2.3
129.07013	7.2
131.08548	7.9
133.06468	1.8
133.10141	6.3
135.08047	1.4
135.11728	1.6
137.09630	1.9
142.07790	2.4
143.08592	1.0
145.04970	2.8
145.06522	3.7
145.10136	2.9
146.08131	8.8
147.08069	3.0
147.11679	7.6
149.09608	4.1
157.10139	10.4
163.06047	4.1
163.11195	2.8
165.12764	2.3
171.08038	1.3
171.11801	1.6
175.11180	10.4
193.12236	25.9
205.12253	1.2
211.13272	12.2
227.12822	2.0
231.13962	1.4
237.12794	1.4
249.14903	1.5
267.15921	100.0
269.17401	2.2
273.14853	3.6
283.15417	3.8
285.16953	15.9
301.14270	1.1
309.16843	1.4
341.21021	1.6
349.21594	2.0
367.22543	7.8
385.23798	7.0
403.24850	1.4
405.24411	1.5
433.25812	15.1
441.26297	5.6
459.27414	71.4
460.27722	1.9
477.28500	56.3
478.29242	1.4
501.28061	1.3
510.99176	1.2
519.29541	3.9
585.30005	2.3
603.31915	1.3
621.32611	1.8
700.16760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66465	1.0
61.02926	8.4
63.40593	1.3
67.05182	1.1
67.05509	13.0
68.49021	1.0
69.03432	3.7
69.07066	3.3
71.04995	2.6
71.53335	1.5
73.02905	2.0
79.05498	13.2
81.03421	58.7
81.07059	18.5
83.04970	6.4
83.08619	15.0
85.02905	16.6
91.03938	5.4
91.05479	16.3
93.07058	9.6
95.04971	20.9
95.08617	6.3
97.02892	8.4
97.06521	2.6
97.10172	2.8
98.23377	1.0
99.08094	1.2
100.07613	3.1
105.07042	12.0
107.04973	5.5
107.08583	6.0
109.06494	2.8
109.10152	3.1
111.04475	1.6
111.08069	5.6
113.05961	1.6
117.07016	3.7
119.08592	11.7
121.06516	3.3
121.10159	7.1
123.04359	1.2
123.08070	2.2
123.11687	1.4
125.09614	2.5
127.03905	2.3
129.07013	7.2
131.08548	7.9
133.06468	1.8
133.10141	6.3
135.08047	1.4
135.11728	1.6
137.09630	1.9
142.07790	2.4
143.08592	1.0
145.04970	2.8
145.06522	3.7
145.10136	2.9
146.08131	8.8
147.08069	3.0
147.11679	7.6
149.09608	4.1
157.10139	10.4
163.06047	4.1
163.11195	2.8
165.12764	2.3
171.08038	1.3
171.11801	1.6
175.11180	10.4
193.12236	25.9
205.12253	1.2
211.13272	12.2
227.12822	2.0
231.13962	1.4
237.12794	1.4
249.14903	1.5
267.15921	100.0
269.17401	2.2
273.14853	3.6
283.15417	3.8
285.16953	15.9
301.14270	1.1
309.16843	1.4
341.21021	1.6
349.21594	2.0
367.22543	7.8
385.23798	7.0
403.24850	1.4
405.24411	1.5
433.25812	15.1
441.26297	5.6
459.27414	71.4
460.27722	1.9
477.28500	56.3
478.29242	1.4
501.28061	1.3
510.99176	1.2
519.29541	3.9
585.30005	2.3
603.31915	1.3
621.32611	1.8
700.16760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	4.0
65.03938	2.4
67.05510	40.2
69.03442	6.1
69.06731	1.6
69.07077	20.8
69.35066	11.1
70.66016	1.0
71.05001	7.1
73.02924	1.4
79.05502	40.8
81.03426	62.2
81.07066	41.9
81.07487	1.0
83.04993	9.3
83.08625	23.5
85.02905	4.0
85.06545	5.6
86.73864	1.2
91.05488	36.3
93.07053	30.9
95.04971	24.6
95.08617	18.5
97.02899	6.6
97.06551	9.4
97.10181	11.0
99.04466	1.2
99.08127	3.2
103.05498	2.0
105.07046	29.5
107.04971	9.5
107.08601	24.1
109.02851	2.6
109.06542	6.6
109.10188	10.8
111.04462	3.0
111.08080	7.5
112.02983	1.2
115.05443	2.1
117.07044	9.2
117.60095	1.3
119.08590	21.8
121.06509	4.4
121.10152	17.2
123.08073	4.6
123.11714	2.2
125.09637	9.9
127.03925	2.8
128.06168	1.9
129.06996	9.4
131.07115	1.4
131.08592	19.6
133.06479	4.0
133.10141	20.1
135.08076	5.4
135.11708	7.4
137.09637	5.5
141.06981	2.1
142.07813	2.6
143.08569	4.4
145.06528	3.5
145.10123	11.8
146.08167	1.4
147.08081	5.8
147.11682	15.3
149.09607	12.7
149.13266	7.1
151.11220	2.2
155.08560	2.4
157.10193	10.7
159.11682	7.5
161.09659	1.7
161.13272	3.3
163.11238	8.0
166.97244	1.3
169.10158	2.0
171.11700	3.3
173.04456	1.6
173.09634	1.4
173.11893	1.6
173.13289	4.9
175.11192	7.9
177.12779	4.2
179.14359	2.4
181.10069	1.3
181.12193	1.5
183.11702	4.0
185.13272	2.6
187.11226	1.6
189.11292	7.8
189.12708	1.9
193.12270	24.0
195.13797	2.5
197.13339	2.0
201.12837	1.8
203.14319	1.6
207.13728	1.7
211.13338	3.8
213.12788	1.3
225.14929	3.1
227.12776	17.6
229.19508	1.8
239.18108	1.9
239.21822	1.5
245.13805	1.7
249.14845	2.5
255.15907	9.7
257.19049	5.4
267.15945	100.0
268.16345	1.4
269.17542	23.1
271.20914	1.3
273.18576	2.3
275.20108	17.7
285.17041	2.2
289.17331	1.1
293.21255	1.8
301.14465	1.9
309.20566	1.5
319.15320	1.3
332.67880	1.4
341.25131	1.4
347.10355	1.4
349.23767	28.4
363.21616	2.1
367.24814	4.1
369.24396	2.6
387.25305	2.5
403.24902	1.8
408.08936	1.3
419.24384	2.9
421.25906	5.3
423.77670	1.3
428.99042	1.4
431.29391	1.8
435.27628	2.1
437.25137	5.9
443.28079	6.1
445.29562	2.0
447.27524	26.5
449.30341	3.3
459.27374	3.4
461.29044	69.9
462.29047	1.6
467.31552	2.8
475.30179	2.1
477.28320	3.9
479.30295	2.9
493.31747	9.0
503.30215	1.9
511.32947	2.1
523.34253	2.5
531.36212	1.4
541.35333	60.9
542.35339	1.8
559.36340	24.3
573.37372	2.5
591.38574	3.9
766.46790	1.5
784.48633	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	3.0
63.40240	0.6
65.03954	0.7
67.05507	28.4
69.03424	1.2
69.07072	6.8
71.04984	1.9
71.08602	0.8
71.54067	0.7
73.02905	1.0
79.05498	25.6
81.03414	4.0
81.07059	30.8
83.04987	5.6
83.08620	6.2
85.02901	3.6
85.06540	2.1
91.03941	1.8
91.05479	18.9
93.07047	32.7
95.04974	7.3
95.08604	10.3
97.02888	1.6
97.06518	3.8
97.10175	2.1
105.04525	1.3
105.07037	13.7
107.04938	2.1
107.08601	13.1
108.63695	0.6
109.02862	0.6
109.06503	2.0
109.10155	3.5
111.08080	2.3
117.07039	4.7
119.08579	8.7
121.06506	0.8
121.10136	7.4
123.08060	1.5
123.11723	0.7
127.03906	0.7
127.07594	0.8
129.07021	5.6
131.08597	4.3
133.10143	6.3
135.08054	1.8
135.11716	2.6
136.72533	0.7
137.09547	0.6
139.03859	1.1
143.08546	2.7
145.10120	3.2
147.08095	1.0
147.11685	11.9
149.09601	1.2
149.13268	8.6
153.09409	0.8
159.11713	4.6
161.09697	1.5
161.13295	4.1
163.11180	0.8
171.11690	6.6
177.12778	1.1
189.12807	2.9
193.12195	0.8
195.13797	2.0
207.13818	6.5
213.03122	0.6
261.22122	0.9
265.04999	0.7
267.15939	2.7
269.04584	0.9
269.17496	19.0
281.17456	17.7
288.12119	0.8
313.27399	2.3
335.25778	1.6
349.23782	1.0
367.25052	1.0
438.08878	0.7
461.29230	1.3
475.30563	100.0
476.30902	2.1
541.35254	2.1
559.36218	1.8
619.35211	1.1
619.85016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	2.8
66.34126	1.6
67.05508	20.7
69.03419	5.7
69.07088	7.8
69.78644	6.6
71.04984	4.0
79.05496	27.1
81.03421	35.0
81.07056	25.0
83.04984	9.7
83.08622	14.4
85.02905	7.8
91.03966	3.2
91.05473	20.9
93.07051	16.5
95.04975	20.0
95.08613	10.4
97.02895	5.7
97.06537	5.8
97.10175	21.7
98.20773	3.1
99.04433	1.9
105.07029	16.4
107.04955	15.8
107.08607	15.4
109.02834	3.4
109.06535	8.9
109.10178	8.2
111.04434	3.1
111.08076	4.8
112.95853	1.5
117.07003	7.1
119.08575	11.0
121.06517	10.7
121.10141	9.9
123.04379	2.3
123.08039	5.3
123.11689	1.6
125.09644	17.3
127.03924	3.5
128.06174	2.0
129.07082	7.0
129.07831	1.4
129.73709	1.4
131.04897	2.5
131.08546	10.2
131.09378	1.6
133.06470	4.6
133.10175	8.3
135.08086	5.2
135.11681	3.7
137.09615	2.2
139.03917	4.0
141.06947	2.5
143.08566	4.1
145.06502	9.1
145.10118	5.9
147.04407	2.9
147.08041	4.0
147.11688	8.2
149.06012	2.4
149.09618	5.1
153.09128	3.2
153.12741	2.0
155.08557	3.5
157.06502	3.1
157.10129	6.8
159.08055	2.5
159.11708	1.6
161.05989	2.4
161.09550	2.4
163.11183	4.3
166.32520	1.4
167.10614	2.4
169.10149	2.3
171.08080	2.9
171.11681	3.8
171.50589	1.4
173.04478	2.9
173.05869	1.6
173.09572	2.1
174.44771	1.7
175.11194	6.3
177.12715	2.1
182.15718	1.4
187.14751	2.9
189.11218	5.8
189.12758	2.1
193.12273	12.4
195.11746	2.0
197.13272	1.7
199.11208	1.8
199.13193	1.4
211.11447	1.7
211.13228	7.5
213.12714	2.6
215.14313	3.1
219.13707	3.3
223.13246	2.2
225.12801	1.6
227.12791	5.3
231.13785	2.4
233.15411	8.1
241.12148	1.7
255.13750	2.9
259.13196	1.7
267.15921	19.3
273.14697	8.8
285.17014	2.3
339.23193	2.6
349.21518	6.6
357.24066	1.9
367.22757	15.3
385.23785	29.9
403.24573	8.6
441.26456	9.5
449.28925	1.9
459.27432	89.4
460.27631	2.9
473.29315	1.8
477.28503	100.0
478.29184	2.0
491.30267	16.7
501.28357	2.2
509.31146	14.2
533.31042	2.1
567.29620	3.6
585.30518	4.4
603.31232	3.3
621.32458	5.8
653.34900	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.9
63.49390	0.4
67.05511	4.4
67.64106	0.5
69.03421	2.9
69.07076	1.6
69.72446	0.4
71.01346	0.5
71.05001	0.8
71.08646	0.5
71.53490	0.5
73.02913	3.2
79.05497	6.3
81.03426	2.2
81.07057	4.9
83.04998	0.6
83.08617	1.0
85.02900	4.8
91.03950	3.0
91.05481	4.5
93.07052	6.9
95.04966	1.4
95.08617	3.4
97.02894	4.0
97.10104	0.5
99.04457	0.8
101.02374	1.1
105.04562	0.5
105.07034	4.2
107.04967	0.5
107.08598	2.7
109.02903	1.1
109.10172	0.9
117.07028	1.8
119.08579	3.2
121.10163	2.6
121.10931	0.5
127.03941	1.7
129.05481	0.5
129.07034	0.9
131.08603	1.4
133.10112	2.4
135.11737	1.2
145.05048	0.5
145.10138	1.2
147.11671	1.1
149.13277	0.7
159.11777	1.0
161.13292	0.5
171.11684	0.9
173.13358	0.7
184.07326	0.9
185.04253	1.6
185.13341	0.8
207.46986	0.5
235.13409	0.8
243.08437	4.0
259.20566	1.0
301.09128	1.7
301.14633	0.6
303.15558	0.5
313.27368	1.0
315.10632	1.6
317.20993	0.8
351.18121	0.7
369.15073	0.6
383.16870	0.8
437.21835	0.6
465.21283	2.0
491.87997	0.6
525.22992	1.3
534.53809	0.5
535.28790	13.6
607.30835	1.7
621.32477	0.8
829.50745	100.0
830.50946	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	827.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38491	0.5
61.02937	3.5
67.05515	5.7
69.03439	2.3
69.07085	2.7
69.60236	0.9
69.60635	1.9
71.05005	0.8
71.08637	0.9
72.08386	0.4
73.02929	3.0
79.05512	3.8
81.03406	1.1
81.07070	4.1
83.04966	0.5
83.08631	1.2
85.02917	3.4
91.03968	2.6
91.05473	3.9
93.07070	4.1
95.05007	0.6
95.08616	2.8
97.02900	3.1
99.04507	0.6
101.02413	0.8
105.07039	4.3
107.04984	0.5
107.08618	2.1
109.02846	0.5
109.06506	0.5
109.10142	3.3
110.10463	0.8
110.39058	0.5
117.07046	1.1
119.08605	2.9
121.10144	1.6
126.19772	0.5
127.03941	1.1
131.08614	1.1
133.10158	3.1
135.11722	1.0
143.08582	0.6
145.10191	1.7
147.11743	1.2
149.09602	0.8
149.13330	0.7
159.11742	1.4
161.13370	0.6
173.11810	1.0
173.13274	0.5
179.14345	0.8
184.07359	0.7
185.04243	0.8
201.03714	0.6
229.14435	3.1
230.14828	1.1
243.08444	3.3
254.31816	0.5
259.20743	0.4
268.49637	0.5
275.20224	0.5
283.28165	0.5
301.08981	1.2
313.08939	0.6
313.27509	2.1
314.27859	1.7
315.19275	5.2
341.12393	0.6
371.22116	1.0
397.18716	0.6
456.34293	0.6
462.71231	0.5
465.21475	1.6
467.37427	1.4
468.37662	3.1
495.22604	0.9
533.27216	9.7
535.28918	7.2
605.29547	1.6
786.56793	0.6
827.49213	100.0
828.49481	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	827.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69944	0.8
61.02930	5.6
67.05508	8.1
68.93962	0.7
69.03440	2.3
69.07059	1.6
69.26737	3.5
69.27163	2.2
71.08634	1.1
73.02904	3.4
79.05500	3.8
81.03425	2.0
81.07050	4.8
83.08628	1.1
85.02940	4.4
88.56966	0.7
91.03962	2.2
91.05500	2.7
93.07051	5.5
93.42757	0.7
95.04967	0.8
95.08621	3.3
97.02892	4.1
97.10165	1.0
98.95341	0.8
99.04449	1.2
101.02406	2.1
105.07041	2.6
107.08620	2.5
109.10146	4.4
110.10513	1.1
119.08611	2.2
121.10197	1.2
127.03963	1.7
131.08604	1.3
133.10179	1.0
135.86935	0.7
145.10144	1.2
163.37747	0.7
173.11749	1.1
184.07419	0.7
229.14352	4.9
230.14758	1.5
241.43874	0.8
243.08461	2.0
313.27573	3.5
314.27890	2.1
331.18845	5.2
467.37607	1.0
468.37543	3.6
519.29376	5.3
549.26837	2.5
554.46338	0.8
624.27716	0.9
717.76459	0.7
735.44458	0.7
827.49182	100.0
828.49487	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98222	1.9
61.02953	2.2
65.03942	3.5
67.05511	95.9
68.13364	2.1
69.03425	6.6
69.06734	2.4
69.07074	34.9
69.29696	14.9
71.04988	3.6
71.08633	4.3
71.54070	1.7
72.87012	1.7
79.05067	3.3
79.05499	45.3
81.03417	9.9
81.07066	100.0
82.07386	2.0
83.04985	10.2
83.08633	22.0
85.02905	6.2
85.06553	3.1
85.10150	1.9
91.05487	40.8
93.07053	52.1
94.07406	1.9
95.04991	9.9
95.08613	54.5
97.02867	5.4
97.06516	12.0
97.10175	11.6
97.35446	2.0
99.08107	3.5
105.07045	28.5
106.07372	2.2
107.04953	3.9
107.08601	31.4
109.06520	8.1
109.10165	25.7
111.08069	6.4
115.05466	2.2
117.07027	11.7
119.08593	20.8
121.06541	2.1
121.10169	21.9
123.08057	4.3
123.11710	9.5
125.09650	4.5
129.07019	7.0
131.08548	15.7
133.09378	1.8
133.10147	18.0
135.08052	3.8
135.11699	13.6
137.09628	4.1
137.13249	3.4
143.08560	2.8
145.10164	13.6
147.08092	1.8
147.11696	11.9
149.09593	6.8
149.13274	10.6
151.11201	3.4
157.10138	2.5
159.11688	11.3
161.13213	7.0
163.11172	4.8
171.11713	2.4
173.09596	2.4
173.13301	4.5
175.14742	2.6
177.12766	3.1
181.12384	2.1
184.07343	3.8
185.13286	2.2
187.14877	2.2
189.11256	2.2
193.12210	1.9
201.84306	1.7
227.12819	7.2
229.14296	4.2
237.60677	2.1
255.15846	5.9
257.18982	6.7
263.23770	2.5
269.17535	19.8
275.20099	24.1
293.21036	3.9
331.22791	1.9
335.25677	8.0
337.27386	97.9
349.23749	20.7
351.25168	2.6
367.24582	3.1
410.70691	1.9
491.36969	3.1
517.38879	20.2
529.39471	2.6
531.40515	59.9
571.43176	2.1
611.46771	33.4
619.77026	2.1
629.47778	9.6
826.52820	2.4
827.47498	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	826.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	2.7
61.02927	8.4
65.03903	0.7
67.05506	55.9
69.03388	1.8
69.07075	4.8
71.04967	2.2
71.08634	17.0
73.02923	3.0
79.05471	0.9
81.03399	0.9
81.07059	14.3
83.08625	9.3
85.02913	10.7
85.06519	1.6
85.10176	10.0
89.06036	0.7
91.03961	7.8
91.05489	3.1
93.07019	2.5
95.08611	13.3
96.36462	0.5
97.02885	5.0
97.10177	4.0
98.20784	1.1
99.04421	1.3
99.11755	0.9
103.07554	1.6
107.08552	2.2
109.10159	56.7
111.08085	2.8
119.08573	4.0
123.11698	2.9
125.59959	0.6
127.03901	1.9
137.09604	1.9
137.13263	1.6
145.04948	2.7
146.08060	0.7
155.10695	4.5
163.05992	3.1
173.11742	15.8
184.07278	1.8
229.14351	74.0
230.14653	1.1
239.23604	1.8
257.24728	1.1
313.27371	78.8
314.27689	1.0
373.18524	0.7
467.37344	100.0
468.37769	2.2
515.35437	0.7
636.65192	0.7
667.99188	0.8
715.55731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	2.2
61.02647	0.6
61.02932	8.3
65.03943	0.7
67.05506	45.5
69.03429	1.4
69.07072	4.3
69.94168	1.7
70.23459	0.3
71.04987	2.5
71.08635	12.7
73.02923	2.3
79.05479	1.0
81.03427	0.8
81.07056	11.1
83.04996	0.5
83.08621	7.2
83.09119	0.4
85.02908	10.0
85.06542	1.6
85.10186	6.9
89.06036	0.8
91.03956	5.6
91.05475	2.4
93.07048	2.0
95.08609	12.5
96.04530	0.5
97.02902	5.0
97.06521	0.5
97.10162	2.7
98.20781	0.4
99.04452	0.6
101.06087	0.4
103.07603	1.0
107.08609	1.3
109.02869	0.3
109.10159	49.7
111.08086	1.9
111.11748	0.5
115.03951	0.6
117.09172	0.5
119.08577	2.9
121.10239	0.5
123.11694	1.7
125.13236	0.3
127.03878	2.9
137.09601	2.2
137.13248	0.7
145.04953	3.3
146.39816	0.3
155.10678	4.8
162.35585	0.3
163.06033	4.0
173.11755	13.7
221.22626	0.5
229.14354	100.0
230.14754	1.0
239.23688	1.8
257.24826	1.5
313.27365	74.4
314.27780	1.3
373.18762	0.5
432.09604	0.3
467.37347	64.4
468.37729	1.7
490.79877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	4.3
65.03951	5.3
67.05508	87.1
69.03436	8.7
69.07071	33.5
69.56581	1.9
69.56992	4.0
71.01353	0.9
71.04977	4.6
71.08625	1.6
71.24012	1.0
73.02921	1.6
77.03928	1.4
79.05497	66.7
81.03427	10.7
81.07060	95.1
83.04985	11.1
83.08621	13.8
85.02910	5.4
85.06554	3.7
87.54485	0.8
91.03962	1.1
91.05486	51.6
93.07048	72.9
95.04977	9.6
95.08613	56.2
97.02914	6.2
97.06532	12.2
97.10178	6.5
99.04513	1.6
99.08110	3.0
103.05496	1.7
105.04537	1.3
105.07038	35.1
105.54766	0.8
107.04967	4.7
107.08602	46.5
109.02889	2.8
109.06508	5.2
109.10165	23.7
111.04440	2.1
111.08098	5.8
113.06036	1.1
113.09662	1.1
115.05450	1.8
117.07031	17.8
119.08590	25.1
121.06514	3.5
121.10146	22.8
123.08092	3.2
123.11713	7.1
125.09624	4.1
127.03918	3.0
129.05510	2.1
129.07013	4.9
130.07829	1.2
131.08577	21.3
133.06491	1.5
133.10133	20.3
135.08086	3.2
135.11700	22.1
137.09651	3.0
137.13295	1.6
141.07002	2.1
143.08577	4.5
145.05020	1.4
145.06360	0.9
145.10126	15.3
147.11684	13.2
149.09633	8.3
149.13269	13.5
151.11226	1.5
153.09218	1.2
155.08585	2.0
157.10120	4.4
159.11702	15.8
161.09686	1.3
161.13283	6.3
163.11229	4.2
163.14865	1.5
165.12842	2.1
169.10184	1.8
171.10300	1.1
171.11679	3.3
173.04515	2.7
173.11899	1.4
173.13274	7.7
175.11226	1.5
175.14827	2.9
177.12758	2.7
177.16461	0.9
179.14256	2.9
182.88385	0.8
183.11722	3.0
185.13269	2.7
187.14833	3.5
189.11221	2.5
189.12833	1.2
191.14235	1.1
195.11850	1.6
195.13837	3.9
197.13260	2.1
199.14890	2.1
201.16415	2.2
203.14337	1.0
211.14915	1.3
227.12784	4.5
229.14392	2.1
229.19554	1.8
239.17989	2.5
241.19655	1.2
243.21111	3.0
247.20702	1.4
255.15904	7.8
257.18936	5.9
259.20609	2.6
261.22162	13.5
267.15948	2.0
269.17468	21.3
275.20074	23.8
285.18094	0.9
285.22153	0.9
293.17908	1.1
293.21112	2.7
317.24695	2.7
331.22775	2.2
333.24478	1.0
335.25818	100.0
336.26279	1.4
349.23779	25.9
349.28098	1.3
367.24976	5.1
413.21487	2.3
434.98218	1.0
437.33899	1.4
489.35840	2.3
493.27792	1.1
505.35077	2.1
515.37323	19.3
529.38922	67.7
530.39099	2.3
569.41626	2.1
609.45209	30.8
627.46155	9.2
649.38843	1.1
673.42987	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.5
65.03941	3.0
65.51807	0.9
67.05510	47.1
69.03454	2.4
69.07076	17.5
70.20572	1.2
70.20915	3.9
71.04996	3.2
71.08646	1.3
79.05499	37.4
81.03434	1.5
81.07065	45.6
83.04981	3.0
83.08626	8.7
85.02894	2.9
85.06535	2.2
90.54216	0.9
91.03951	1.5
91.04905	1.2
91.05491	46.1
93.07049	47.1
95.04968	4.5
95.08617	34.1
97.02891	3.0
97.06543	3.0
97.10194	4.4
99.08081	1.3
103.05454	1.3
103.06680	1.0
103.18519	1.0
105.04472	1.9
105.07046	42.3
107.04949	1.6
107.08607	25.8
107.09313	2.0
109.06531	2.3
109.10171	16.1
111.08047	1.8
115.05470	3.1
116.06245	1.2
117.07024	22.1
119.08594	35.8
121.06510	1.0
121.10172	18.5
123.08031	1.5
123.11704	4.1
125.09644	1.5
127.07557	1.0
128.06229	3.2
129.07013	14.7
130.07755	1.2
131.08582	25.7
133.10143	24.9
135.08041	1.8
135.11726	9.3
136.82083	0.8
137.09567	1.3
141.07010	6.1
142.07784	3.3
143.08578	14.1
144.09378	1.7
145.10139	22.8
147.11707	16.8
149.09604	2.2
149.13290	4.8
154.07758	1.4
155.08560	11.5
156.09357	1.1
157.10149	17.7
159.11708	19.1
161.13231	7.5
163.11195	1.6
163.14824	1.2
167.08607	4.0
168.09430	1.7
169.10168	12.8
171.11728	13.0
173.13286	9.8
175.14845	2.8
177.16472	1.2
178.15372	1.0
179.08562	1.9
180.09242	1.3
181.10187	6.6
182.10954	1.1
183.11711	11.8
184.12471	1.3
185.13310	11.2
187.13393	1.0
187.14761	5.6
189.16411	2.4
193.10158	2.3
195.11720	7.3
197.13266	9.0
199.13290	1.2
199.14870	6.5
201.16386	2.5
207.11736	2.3
209.09923	1.0
209.13315	6.6
211.14825	7.3
213.16434	3.7
215.17966	1.4
219.11560	1.1
219.17297	0.9
221.13226	2.5
223.14830	5.6
225.16454	4.2
227.17900	3.2
235.14951	1.5
237.16426	4.1
239.17979	4.1
241.19508	3.4
247.14749	1.1
249.16544	1.2
251.18025	2.7
253.19688	1.7
257.19086	6.0
259.20636	5.9
261.22064	1.3
263.17972	1.5
265.19528	1.6
272.47452	0.9
277.19220	1.0
283.20526	1.2
285.22055	1.5
297.22189	1.3
299.23709	1.3
309.21902	1.3
311.23587	1.0
313.21698	1.4
323.23764	1.5
324.40851	1.0
325.25345	1.4
331.22717	1.5
333.24216	6.4
335.25745	3.6
347.27542	1.2
351.26828	2.7
365.28494	2.1
377.28137	1.3
393.27472	1.1
447.32291	2.2
461.33560	1.2
462.92004	1.1
465.33698	1.1
473.32550	1.3
483.34604	1.5
499.39798	1.8
501.35440	2.9
515.37463	2.2
517.40448	12.7
523.37695	1.3
529.38593	1.5
535.41852	5.2
539.37207	3.0
541.38409	1.6
555.41266	1.2
573.43457	1.2
591.44031	8.4
609.45203	100.0
610.45251	3.0
717.46753	1.1
735.48773	1.4
753.49139	1.1
771.49976	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	824.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82181	1.4
59.04989	2.2
61.02927	3.4
65.03954	3.7
66.81374	1.4
67.05512	84.0
67.56646	1.3
69.03421	6.1
69.07080	22.7
71.04993	9.4
71.54443	2.9
77.53329	1.5
79.05499	55.5
81.03425	99.0
81.07063	70.8
83.04988	11.6
83.08159	2.2
83.08627	35.3
85.02888	5.2
85.06554	5.0
86.09715	1.7
91.05490	50.0
93.07050	48.0
93.07634	2.3
95.04975	38.0
95.08618	36.8
97.02898	5.7
97.06527	16.1
97.10184	18.7
99.08085	3.1
105.07043	45.7
107.04965	16.3
107.08603	43.7
109.06526	14.1
109.10166	44.6
111.04483	3.0
111.08087	14.3
113.06015	2.2
113.09637	2.8
115.05464	3.3
117.07020	13.4
118.72135	1.4
119.08591	43.3
121.06509	10.0
121.10169	20.5
123.04461	2.9
123.08092	7.9
123.11715	4.8
125.09637	18.3
129.07010	17.6
131.08571	26.7
133.06485	6.2
133.10129	22.2
135.08061	9.5
135.11687	11.1
137.09605	6.0
141.06929	3.8
142.07671	2.7
143.08571	6.1
145.06485	4.9
145.10124	16.9
147.08057	7.7
147.11710	22.0
149.09619	16.0
149.13304	8.0
151.11201	3.1
153.09160	3.4
155.08577	4.1
155.10690	3.9
157.10106	19.1
159.08066	3.1
159.11723	10.4
161.09601	3.1
161.13235	3.7
161.71669	1.4
163.11205	11.0
165.12764	5.7
169.10204	4.0
171.10292	2.2
171.11726	6.8
173.11754	7.7
173.13290	6.1
175.11179	16.8
175.14857	2.0
177.12740	4.3
181.10153	2.4
183.11679	5.4
185.13280	3.6
187.11160	3.0
187.14839	2.0
189.11229	5.0
193.12248	37.7
195.11636	2.6
195.13855	2.0
197.13303	3.0
199.11203	2.3
199.14914	2.4
201.12762	2.8
203.14339	2.6
207.13916	1.9
211.13290	6.4
213.12677	2.1
214.47386	1.6
215.14297	1.7
217.15974	4.0
227.12752	7.4
229.14343	32.4
231.13654	1.7
239.18092	2.5
243.13771	1.9
249.14877	2.8
255.15927	5.9
257.15366	1.6
257.19016	4.9
267.15936	100.0
269.17477	10.0
275.20087	25.0
293.21161	6.6
315.23145	2.2
331.22672	2.5
331.62750	1.6
341.24655	2.1
349.23804	21.2
351.23111	2.3
367.24878	22.3
369.24164	5.3
387.25464	3.8
403.24844	4.4
421.25888	50.3
435.27692	2.0
437.29254	2.5
443.28119	12.5
447.27411	12.5
449.30106	3.6
461.29028	83.0
465.28552	20.7
467.31488	3.2
475.30322	3.8
479.29984	4.5
485.32648	2.2
493.31656	40.3
501.32184	3.1
511.33066	3.7
523.34100	5.0
541.35315	76.2
547.28802	3.0
559.36334	89.1
560.36035	3.1
569.31464	2.0
573.37878	3.5
583.36145	2.0
587.31769	2.7
591.38818	4.8
637.35754	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	7.5
65.03932	1.5
67.05508	38.1
69.03436	4.8
69.07072	9.6
70.06591	1.2
71.01356	1.7
71.04996	5.1
73.02895	1.8
79.05497	32.6
81.03421	51.4
81.07058	26.8
83.04989	15.6
83.08161	1.2
83.08627	19.3
85.02434	1.5
85.02909	18.9
85.06532	3.7
91.03963	4.6
91.04906	1.3
91.05487	26.1
93.07046	35.8
95.04976	21.6
95.08603	10.1
97.02908	5.9
97.06538	10.5
97.10175	11.0
98.20730	2.2
99.08107	1.5
105.07037	14.6
107.04944	5.6
107.07885	1.5
107.08601	27.4
108.66978	1.0
109.06525	4.6
109.10144	3.6
111.04443	2.7
111.08080	9.7
113.05967	1.6
115.05428	1.2
117.07018	3.0
119.08588	17.0
121.06506	3.2
121.10149	12.3
123.08067	2.2
125.09618	2.3
127.03886	1.8
129.07014	7.8
131.08540	7.5
133.06483	2.2
133.10129	10.3
135.08025	2.1
135.11696	40.1
135.12721	2.3
137.09624	2.0
142.07787	1.9
145.04990	2.0
145.10118	8.8
147.08060	2.3
147.11691	12.6
147.78023	1.0
149.09605	4.0
153.12747	1.5
157.10123	11.2
163.06020	1.3
163.11195	5.5
165.12732	2.0
175.11171	10.8
181.12250	8.0
193.12244	33.7
199.13306	1.1
211.13301	39.3
255.15924	71.8
267.15912	29.1
274.62668	1.1
285.16989	21.3
308.45383	1.0
421.25729	3.7
447.27460	100.0
465.28506	97.8
466.28757	3.9
609.32703	1.8
715.41681	1.1
816.32043	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	8.0
57.07038	2.2
58.28938	0.6
59.21810	0.6
61.02906	0.7
63.71958	0.5
65.03931	2.9
66.04690	0.6
67.05505	53.4
67.05836	1.8
69.03429	9.1
69.07069	28.8
69.07425	0.6
69.31050	0.8
69.31457	4.2
71.04994	2.9
76.13478	0.7
77.03877	0.7
79.05494	41.7
81.03002	0.6
81.03410	5.6
81.07059	47.3
83.04982	4.8
83.08620	11.9
85.02872	1.8
85.06502	1.3
90.87341	0.6
91.05481	26.4
93.07046	39.0
95.01309	0.7
95.04394	0.6
95.04955	7.7
95.08607	34.7
97.02895	9.0
97.06532	3.6
97.07033	0.8
97.10168	11.9
99.08074	1.0
105.04486	1.3
105.07034	17.6
107.04964	6.1
107.08600	25.1
108.05787	0.6
109.02831	0.9
109.06510	3.0
109.10158	19.2
111.04427	1.1
111.08080	3.1
115.05415	1.2
117.07021	9.1
119.04913	0.9
119.08581	16.4
121.06474	2.4
121.09363	1.1
121.10149	14.7
121.10976	0.5
123.04421	0.8
123.08090	4.3
123.11723	3.3
125.08793	0.7
125.09637	10.0
128.06168	0.7
129.07018	3.6
130.07797	1.4
131.08568	12.1
133.06432	1.9
133.10133	10.3
135.08066	3.1
135.11703	9.1
137.09589	2.7
137.13208	0.9
139.11136	0.9
142.07661	0.7
143.08572	3.9
144.09277	0.9
145.06465	0.8
145.10126	8.6
147.08063	5.7
147.11687	5.7
149.09598	1.6
149.13268	5.1
151.11107	1.4
157.10081	2.3
159.11720	4.9
161.09595	2.2
161.13287	3.2
162.10304	1.0
163.11166	1.4
163.14835	1.6
165.09085	1.0
169.10211	0.8
169.12073	0.6
171.10184	1.0
171.11555	1.2
173.11835	0.8
173.13254	3.5
175.11211	1.0
175.14790	1.6
177.12671	1.7
180.89215	0.6
184.07326	1.6
185.13254	1.2
187.14780	1.4
189.11241	2.9
189.12674	0.8
193.12112	1.0
195.13789	0.8
197.13275	0.9
199.14729	0.6
205.12236	2.5
211.13228	0.7
217.12215	0.7
223.11150	1.0
223.13283	17.1
227.12794	3.3
230.55537	0.7
243.21210	3.0
245.19008	0.9
245.73900	0.6
249.14764	2.0
253.14459	0.7
259.20578	0.9
261.22128	7.9
263.19949	0.7
273.18512	12.3
291.19540	97.5
292.19681	1.3
296.58221	0.7
310.23425	0.6
317.24829	2.9
335.25803	100.0
336.26093	1.6
347.22101	2.7
365.23242	49.5
366.23657	1.1
376.51312	0.7
395.61490	0.7
505.35248	1.0
527.37384	1.4
541.64905	0.6
545.38721	4.0
607.43738	3.2
625.44629	100.0
626.44513	3.8
643.46246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	11.4
57.07058	3.2
61.02931	2.0
65.03945	5.5
67.05508	96.1
69.03424	7.5
69.07072	27.2
70.00872	2.4
70.01283	3.0
71.04992	9.6
74.14065	1.0
77.03917	2.4
79.05496	69.0
81.03422	8.2
81.07059	98.9
83.04988	16.0
83.08618	11.0
85.02888	2.8
85.06554	7.6
87.04398	1.1
91.05486	69.0
93.07047	74.6
95.04974	13.1
95.08610	49.4
97.02897	4.4
97.06536	8.2
97.10151	6.4
98.21429	1.6
99.04472	3.2
103.05483	1.7
105.04553	2.4
105.07035	59.0
107.04965	10.8
107.08599	51.9
109.02839	2.2
109.06536	9.9
109.10161	60.9
111.04439	2.4
111.08073	5.8
113.05968	1.7
115.05412	2.5
115.07583	1.1
117.07021	12.2
119.04983	1.2
119.06091	1.1
119.08587	25.1
121.06505	10.1
121.10151	25.1
123.04430	1.5
123.08090	7.1
123.11715	12.4
125.09608	3.7
127.03874	1.4
127.07536	2.1
128.06221	2.8
129.07016	5.3
131.08577	21.4
133.06496	8.0
133.10138	70.3
134.10445	1.3
135.08055	12.0
135.11696	16.4
137.05986	1.4
137.09628	3.0
137.13242	1.8
139.11134	1.4
142.07684	1.0
143.08572	8.0
145.10135	15.1
147.08083	7.9
147.11720	8.9
149.09641	8.3
149.13251	6.3
151.11194	30.6
153.12759	2.1
155.08580	2.4
157.10152	6.1
159.08031	3.4
159.11676	8.6
161.09598	9.2
161.13275	5.0
163.07584	1.9
163.11183	3.4
163.14815	3.2
169.10149	2.1
169.12256	5.9
171.11671	5.1
173.09604	1.1
173.13297	6.1
175.11186	3.8
175.14746	3.2
177.09081	3.2
177.12790	2.6
179.10666	2.9
181.10068	1.8
183.11800	1.4
184.07256	1.5
185.13275	2.6
187.14825	2.4
189.12712	3.1
195.11736	1.2
197.13290	1.2
199.14883	2.2
201.16415	1.2
203.14278	2.0
213.12779	1.1
213.16415	1.6
215.12798	2.6
217.33505	1.0
223.13269	3.0
227.12798	1.7
227.17899	2.4
237.16431	1.7
243.21054	3.5
245.18968	6.9
251.12738	4.2
253.14365	91.5
255.17503	3.5
259.20529	2.1
261.22137	14.1
263.20203	5.9
271.15387	3.6
273.18518	42.6
275.20099	3.2
277.21686	1.7
291.19550	48.3
309.20605	3.5
317.24695	2.4
335.25821	83.8
336.26392	2.0
347.22153	16.0
357.98376	1.0
363.25589	1.2
365.23239	63.2
366.23273	1.4
439.31955	1.9
457.33411	2.1
513.35779	9.9
529.35175	2.6
531.36951	16.3
533.38837	1.1
545.38202	1.6
607.43475	9.6
625.44653	100.0
626.44574	3.1
643.45447	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	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.3
57.07075	2.8
60.55707	1.3
60.89963	1.3
65.03938	6.4
67.05509	89.9
68.99789	1.7
69.03432	5.5
69.06726	2.3
69.07075	23.7
69.24805	8.1
69.25228	4.4
71.04989	5.5
79.05501	60.7
81.03419	9.1
81.07063	91.1
83.04984	17.9
83.08631	11.1
85.02908	3.0
85.06538	5.4
91.04899	2.4
91.05485	63.9
93.07051	69.5
95.04982	12.0
95.08611	51.9
97.02867	1.9
97.06555	6.9
97.10168	4.7
99.04477	2.2
99.08129	1.3
103.05418	1.5
105.04482	2.3
105.07037	55.4
107.04957	6.4
107.08599	53.3
109.06522	9.1
109.10163	60.6
111.08108	4.3
113.06068	2.2
115.05485	2.3
117.07035	9.5
119.08591	20.6
121.06519	7.4
121.10155	22.3
123.08077	5.3
123.11733	9.4
125.09692	2.6
127.07593	2.1
128.06259	2.8
129.06985	3.4
131.07629	1.6
131.08580	20.3
133.06487	3.9
133.10139	72.0
134.10500	1.6
135.08049	6.6
135.11719	15.5
137.09628	3.4
143.08574	4.3
145.10117	12.4
147.08064	2.7
147.11656	9.5
149.09615	6.5
149.13206	6.6
151.11189	29.7
157.10184	4.7
159.11765	9.3
161.09642	8.9
161.13284	5.9
163.11188	2.9
163.14833	2.0
165.12784	1.7
169.12228	5.9
171.11725	4.0
173.13258	5.7
175.11209	2.8
175.14868	2.5
177.09142	2.2
179.10712	2.0
185.13199	2.0
189.12839	1.7
193.12242	2.3
201.16370	2.2
211.13206	1.7
215.12804	2.6
223.13234	2.0
227.17880	1.8
238.30568	1.5
243.21178	3.9
245.19096	4.3
251.12723	2.0
253.14357	98.8
255.17439	1.6
259.20679	2.7
261.22186	16.5
263.20139	3.9
271.15421	3.0
273.18518	22.5
291.19528	26.6
291.22556	2.5
309.20749	2.1
317.24780	2.0
333.24197	2.3
335.25827	100.0
336.26035	2.1
347.22256	10.9
365.23230	38.2
383.24512	1.7
439.32047	3.4
457.33035	1.4
513.36005	6.5
529.35223	5.3
531.36902	42.1
607.43628	8.9
625.44684	81.0
626.44733	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	822.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	6.8
61.02911	2.1
64.42472	1.7
65.03936	3.0
65.78481	2.3
67.05509	54.2
69.03432	4.3
69.07067	18.0
69.23566	1.8
70.55924	3.9
70.56292	3.6
74.58116	2.2
78.32590	1.8
79.05076	2.9
79.05501	46.4
81.07062	55.8
83.04972	4.8
83.08611	12.9
85.02883	2.7
86.13397	1.9
86.81530	1.9
88.12101	1.8
91.05478	48.9
93.06482	3.8
93.07043	44.8
95.04962	3.6
95.08611	42.7
97.06544	3.9
97.10151	6.6
103.05468	2.0
105.07034	43.2
107.04997	2.7
107.08604	20.7
109.06513	7.1
109.10160	15.3
115.05439	5.3
116.06271	2.9
117.07038	27.2
119.04944	1.8
119.08598	28.1
121.06509	4.6
121.10134	18.1
123.08038	3.4
123.11680	2.8
125.09613	5.2
125.68568	2.5
128.06230	10.9
129.07004	15.6
130.07758	5.8
131.08575	48.9
133.06506	4.2
133.10143	20.3
135.08054	3.2
135.11716	9.7
137.09624	3.5
141.06976	6.3
142.07843	2.5
143.08569	51.0
145.10129	54.4
147.08075	4.6
147.11705	6.8
149.13248	3.8
155.08519	6.4
157.10172	15.5
159.08009	3.6
159.11682	11.3
161.09633	8.5
161.13252	5.8
163.11237	3.5
167.08572	3.2
169.10133	7.4
171.10442	1.9
171.11671	11.8
173.13268	4.2
175.11191	2.8
181.10075	8.4
183.11665	6.1
185.13304	4.9
195.11716	13.1
199.11388	2.5
199.14812	2.7
201.12871	2.5
203.84804	1.8
209.13406	1.9
227.17953	4.5
237.16422	12.7
245.19101	2.2
255.17485	14.0
259.20819	2.1
261.22186	4.6
273.18509	42.4
291.19556	3.9
329.20996	9.1
335.25815	100.0
347.22168	34.9
349.23535	2.4
401.23285	2.3
466.94049	2.0
589.43127	2.5
607.43512	69.4
608.43042	2.4
625.44501	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.3
57.07076	1.9
65.03951	2.7
67.05509	45.1
68.99787	1.0
69.03425	1.3
69.07070	32.2
70.64796	1.4
70.65141	1.9
71.04991	2.2
71.08630	1.6
77.03925	0.9
79.05497	43.1
81.03416	7.4
81.07062	53.4
83.04974	6.9
83.08629	6.6
85.06545	3.1
91.05486	67.0
91.14452	0.8
92.76137	1.0
93.07047	43.9
95.01348	8.0
95.04985	9.0
95.08612	34.8
97.02895	1.3
97.06541	16.0
97.10160	3.5
99.08081	1.1
103.05473	2.8
105.04492	2.2
105.07036	83.7
107.04965	14.5
107.08599	24.8
109.06537	4.1
109.10157	10.3
109.10832	0.9
111.08081	2.4
115.05452	2.1
117.07030	18.6
119.08589	46.4
121.06514	3.0
121.10151	13.9
121.99369	0.9
123.04474	2.7
123.08105	4.8
123.11704	3.1
125.09703	0.9
128.06299	1.1
129.07027	6.6
130.07776	1.5
131.08575	28.2
133.06493	1.6
133.10136	53.2
135.08086	4.0
135.11699	11.9
137.09602	2.4
139.07588	1.2
141.06979	2.8
143.08575	7.5
144.23540	0.9
145.06508	1.5
145.10124	22.8
146.61548	0.8
147.11696	23.3
149.09631	7.0
149.13278	5.6
151.11223	1.5
155.08571	2.5
157.10147	5.8
159.08047	1.2
159.11684	15.5
161.13268	15.4
163.11200	3.2
163.14827	2.2
165.09082	1.8
169.10155	2.1
169.23718	0.9
171.11729	6.2
173.13284	7.6
175.11287	1.1
175.14830	4.6
177.12791	3.0
179.14333	9.1
183.11763	2.6
185.13272	3.7
187.11198	1.9
187.14877	1.5
189.12851	1.1
197.13219	1.4
199.14822	2.7
201.16499	1.2
209.79251	0.8
211.14796	1.1
215.17996	1.8
216.42320	0.9
217.19510	0.9
219.17480	2.0
221.15282	0.9
231.21124	1.3
231.58623	0.8
239.18016	2.1
241.19516	17.3
241.21770	1.7
247.20580	1.5
257.19022	6.1
259.20599	21.6
275.20074	49.6
276.20294	1.3
277.21692	1.6
279.15945	1.4
293.21234	2.5
315.23221	8.8
333.24249	44.8
349.23752	45.4
351.25275	1.6
437.34290	1.4
513.35706	2.7
527.37402	1.7
533.39935	1.4
551.41223	0.9
607.43591	100.0
608.43988	2.0
625.44653	12.9
647.24170	1.1
678.07776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	7.0
61.55370	2.8
65.03931	4.3
67.05508	53.5
68.93385	3.2
69.03417	3.8
69.07065	19.3
71.04984	4.7
71.53503	3.3
71.53906	3.4
79.05498	51.9
81.03430	3.2
81.07058	63.5
83.04961	5.4
83.08608	17.3
85.02893	4.1
89.18982	2.9
91.03890	2.6
91.05486	64.4
93.07039	54.7
95.04982	8.0
95.08611	42.5
97.06532	6.9
97.10191	9.6
103.05495	3.3
105.07028	55.8
107.08595	32.7
109.06523	8.3
109.10162	16.4
111.07998	2.9
115.05390	7.1
117.07018	36.4
119.08576	42.7
121.06552	3.9
121.10152	21.4
123.08063	5.6
125.09595	4.3
128.06235	19.3
129.07007	25.7
130.07800	7.2
131.08566	73.9
133.06491	10.1
133.10114	24.7
135.08122	4.8
135.11688	6.8
141.07007	11.3
142.07828	3.0
143.08562	77.2
145.10120	74.3
147.08060	9.0
147.11703	11.1
149.09663	3.6
149.13234	5.1
151.11195	3.8
154.07681	2.8
155.08534	7.0
157.10126	19.6
159.11714	14.8
161.09644	8.2
161.13301	4.2
163.11240	5.8
167.08591	3.9
169.10165	13.3
171.11682	19.5
173.13300	6.3
175.11201	4.8
181.10147	12.6
183.11696	9.9
185.13293	5.0
195.11783	15.2
201.12755	4.3
227.17993	6.3
231.13985	3.5
237.16354	19.3
255.17464	25.0
257.50156	3.0
259.20837	3.9
261.22214	3.6
267.58075	3.0
273.18488	70.3
275.19794	3.8
291.19598	4.2
329.21280	16.0
335.25793	91.5
347.22180	48.8
387.93301	3.3
607.43549	100.0
625.44385	27.9
687.99414	3.2
708.28754	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03189	2.4
57.03442	22.5
57.07076	2.7
59.04996	2.7
61.02937	7.6
65.03937	7.2
67.05508	73.7
69.03429	9.4
69.06732	2.7
69.07074	36.0
69.23637	11.2
69.24052	4.2
71.01360	1.9
71.05003	13.9
71.43537	1.5
73.02890	3.7
79.05499	66.0
79.78964	1.7
81.03425	93.7
81.07062	100.0
83.04985	18.0
83.08625	33.3
85.02898	11.1
85.06546	4.6
91.03953	2.8
91.05486	54.7
93.07050	57.0
93.29073	1.6
95.04979	39.6
95.08619	32.4
97.02910	9.9
97.06534	43.2
97.10173	20.9
98.20726	3.1
99.04431	2.0
99.08073	7.5
103.05446	1.8
105.07034	38.3
107.04960	14.5
107.08607	37.1
108.00353	1.8
109.06511	18.3
109.10171	16.0
111.04460	10.0
111.08104	12.1
115.05466	4.3
115.07580	11.4
116.75496	1.5
117.07033	22.1
119.07806	2.5
119.08596	34.5
121.06506	13.3
121.10152	28.2
123.04430	3.5
123.08085	16.9
123.11728	4.5
125.09643	16.2
127.03964	3.2
128.06244	3.9
129.07010	23.0
131.08569	32.4
133.06462	9.0
133.10146	27.7
135.08055	12.1
135.11726	12.4
137.09621	6.0
141.06975	3.7
142.07800	5.1
143.08574	9.5
145.06502	6.5
145.10130	20.3
147.08035	13.3
147.11682	16.8
149.09630	12.4
149.13298	12.5
151.11143	2.9
153.09065	4.3
153.12753	2.6
155.08595	5.1
157.06554	1.9
157.10121	17.1
159.08035	5.5
159.11678	14.0
161.09622	9.3
162.65901	1.6
163.06061	2.0
163.11206	11.8
165.09135	2.5
165.12770	2.7
167.08661	2.8
169.10127	5.2
171.11676	6.1
173.04483	2.2
173.09595	4.6
173.13313	2.6
175.11211	12.9
177.12764	4.3
181.10114	3.6
181.12215	3.4
183.11739	2.6
185.09583	2.2
185.13237	4.7
187.11169	2.5
189.11221	7.5
189.12755	1.9
191.10654	4.5
193.10544	2.5
193.12254	21.8
195.11847	2.5
195.13795	6.5
197.13309	2.1
199.11102	2.8
203.14243	2.4
205.12244	2.6
209.13428	1.7
211.13223	3.0
217.15854	6.4
219.13844	3.7
223.13156	2.1
225.14833	2.0
227.12668	9.2
231.13889	2.1
233.15388	3.5
245.19011	2.9
249.14809	4.7
253.14207	2.3
255.17621	3.6
267.15927	62.8
269.17480	24.0
273.15454	2.3
273.18536	23.8
289.17703	2.2
291.19534	26.3
307.19101	3.1
309.20578	5.0
311.19791	1.9
313.21481	2.4
315.19620	2.7
347.22168	6.8
351.22852	2.1
353.24750	3.0
363.21683	2.2
365.23248	15.7
369.24469	2.0
371.25916	1.9
383.24219	11.6
403.24734	1.9
429.27487	2.1
433.25931	2.7
435.27020	2.9
443.28061	5.7
445.29532	15.9
447.28439	7.8
459.27173	2.4
461.29056	23.6
463.30621	66.9
464.31146	2.2
465.29883	7.4
483.31119	6.2
487.30548	3.7
489.28214	3.3
493.31512	4.6
499.30063	1.7
501.31693	1.7
529.35022	2.8
539.27173	1.7
539.33899	20.1
557.34778	67.8
558.34503	2.4
575.35718	44.5
589.37335	3.7
607.34882	6.0
719.39966	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	822.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.5
57.07079	0.7
61.02932	4.1
61.92838	0.5
65.03946	1.1
67.05508	25.4
69.03422	1.4
69.07072	8.3
71.04996	3.4
73.02915	1.6
79.05498	14.7
80.52979	0.4
81.03423	6.1
81.07060	35.9
83.04985	3.3
83.08624	7.3
84.26672	0.5
85.02911	5.4
85.06527	2.4
90.01070	0.5
90.29073	0.4
91.03953	3.1
91.05482	12.0
93.07046	24.7
95.04987	3.3
95.08057	0.8
95.08612	10.7
97.02901	3.3
97.06519	5.7
97.10136	2.1
99.04459	0.8
99.08080	1.5
99.86578	0.4
105.07039	7.0
106.19614	0.4
107.04955	1.5
107.08598	13.7
107.10162	0.4
109.06529	2.0
109.10150	3.0
111.04427	0.6
111.08077	3.3
113.06001	0.4
115.05389	0.4
115.07576	0.9
116.10128	0.4
117.07011	6.2
119.08585	4.7
121.06505	1.8
121.10152	6.5
123.08081	1.1
123.11701	2.2
125.09647	1.0
127.03913	1.2
127.07547	0.5
129.07028	1.8
131.08574	6.5
133.06525	0.7
133.10139	8.5
135.08076	2.3
135.11670	4.6
137.09641	0.5
141.06995	0.6
143.08556	2.0
145.04974	1.2
145.10138	2.8
147.07997	0.8
147.11699	1.8
149.09630	1.7
149.13266	11.6
151.11174	1.0
155.08585	1.1
157.10127	2.5
159.08066	0.6
159.11685	6.0
161.09674	0.8
163.06064	1.4
163.11139	0.5
165.12775	0.5
169.10182	1.0
171.11746	1.1
173.04509	0.6
173.13239	0.7
175.11209	0.8
177.12709	2.6
181.10173	0.8
183.11711	0.7
185.13144	0.6
193.12308	1.4
195.11938	0.6
195.13773	6.1
195.24623	0.4
199.14818	0.8
211.13289	0.6
213.14748	0.7
223.14857	0.4
229.01256	0.4
251.16460	1.5
267.15860	3.2
269.17480	18.5
273.18457	0.9
283.15543	0.5
291.19458	0.7
343.26364	0.6
353.24680	1.5
371.25943	2.3
413.21805	0.8
427.28827	0.7
445.29556	15.4
447.27878	0.7
459.27274	0.5
461.28973	1.7
463.30569	100.0
464.30853	2.2
465.29895	0.5
477.28372	0.7
481.31580	1.1
487.30814	0.7
512.25464	0.5
539.34119	0.6
557.34753	2.6
571.32343	0.6
575.35449	1.3
589.34113	1.3
607.34833	10.3
608.35095	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03190	0.4
57.03441	4.1
57.07072	0.7
59.04999	0.5
61.02928	5.6
65.03945	1.3
67.05508	26.7
69.03432	1.5
69.07072	8.8
71.05000	2.6
71.08633	0.4
72.69228	0.2
73.02924	1.8
77.03909	0.3
77.81219	0.2
79.05498	17.6
81.03425	7.3
81.07063	37.8
83.04987	3.8
83.08626	9.3
83.09048	0.3
85.02909	6.7
85.06545	2.1
86.34660	0.2
87.04501	0.3
90.75150	0.3
91.03965	3.7
91.04903	0.5
91.05486	11.9
93.07049	26.2
95.04984	4.0
95.08611	10.8
97.02899	3.1
97.06532	5.1
97.10180	3.1
98.20794	0.6
99.04458	0.9
99.08109	1.3
103.05450	0.4
105.04518	0.4
105.07037	7.0
107.04955	2.2
107.08601	14.6
109.02882	0.6
109.06522	2.5
109.10157	3.1
111.04449	0.9
111.08084	3.5
111.11742	0.3
113.06012	0.6
113.09648	0.3
117.07019	6.2
117.07864	0.5
119.08580	4.9
121.06520	2.4
121.10153	8.7
123.08079	1.5
123.11717	2.0
125.09649	2.2
127.03912	1.6
127.07578	0.3
128.06186	0.5
129.07019	2.7
129.31293	0.2
131.08578	7.9
133.06535	0.5
133.10138	9.2
135.08057	1.8
135.11696	5.5
137.09616	0.9
139.11185	0.6
141.07019	0.6
142.07739	0.3
143.08591	1.8
145.04947	1.5
145.06526	0.3
145.10144	2.7
147.08049	0.9
147.11688	2.1
149.09642	1.8
149.13268	14.0
151.07562	0.3
151.11150	1.2
153.09129	0.7
153.12770	0.4
155.08582	1.0
157.10124	2.4
159.08087	0.4
159.11707	7.1
161.09622	0.7
161.13301	0.5
163.06023	2.0
163.11177	1.3
165.12804	0.4
167.08521	0.3
167.14365	0.4
169.10149	0.7
171.11729	1.0
173.09567	0.5
173.13254	0.5
175.11224	0.9
177.12747	3.1
181.10146	0.9
181.12294	0.6
183.11703	0.8
185.13310	0.8
187.11188	0.2
187.14813	0.4
189.11229	0.8
191.10507	0.3
193.12263	1.6
195.11955	0.5
195.13817	7.4
197.13304	0.5
199.11282	0.2
199.14825	0.2
201.12819	0.4
205.12340	0.3
209.13315	0.5
211.13235	0.3
213.14893	0.7
215.14372	0.3
217.15944	0.3
219.13844	0.5
226.50885	0.2
227.12694	1.4
229.14186	0.4
229.42589	0.4
237.16394	0.3
245.19255	0.4
249.15131	0.3
251.16338	1.5
259.16849	0.2
267.15906	5.4
267.18600	0.4
269.17480	20.3
270.17841	0.3
273.18549	1.8
291.19531	2.7
309.20685	0.6
335.23505	0.3
343.26437	0.3
347.22131	0.6
353.24710	1.6
365.23279	1.3
371.25937	1.1
383.24200	0.8
388.41965	0.3
389.26929	0.8
395.20590	0.4
413.21783	1.0
427.28485	1.2
433.25629	0.3
445.29550	12.7
446.29974	0.4
447.27936	0.5
459.27728	0.3
461.28622	0.7
463.30563	100.0
464.31009	2.4
481.31631	0.9
483.30966	0.3
487.30719	0.4
539.33801	1.4
557.34821	6.2
571.32434	0.3
575.35773	3.8
589.34540	0.7
607.34760	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	822.448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.1
57.07070	0.9
57.99122	0.4
61.02925	4.0
65.03935	0.8
66.90031	0.4
67.05506	27.2
68.60102	0.5
69.03434	1.0
69.07066	9.8
70.00781	1.9
71.04997	2.2
73.02919	1.7
73.55210	0.4
79.05496	15.2
81.03439	2.0
81.07056	36.1
83.04973	3.9
83.08617	7.2
85.02902	5.5
85.06552	2.1
91.03957	2.8
91.05482	10.0
91.06023	0.8
93.07043	27.8
95.04961	1.8
95.08604	9.6
97.02882	2.6
97.06528	5.7
97.10159	1.1
99.08103	1.7
105.07033	4.1
107.04948	0.6
107.08593	14.8
109.06516	1.5
109.10147	2.1
111.08076	3.9
111.21227	0.4
113.06033	0.6
113.09674	0.5
117.07019	3.5
119.08564	1.6
121.06516	0.9
121.10143	9.1
123.11728	1.9
125.09581	0.8
127.03909	1.3
131.08568	4.5
133.10135	6.2
135.08061	0.8
135.11684	4.5
139.11192	0.8
145.04964	1.0
147.11667	1.2
149.09622	0.7
149.13261	14.6
151.11153	0.8
159.11690	6.1
163.05971	0.7
163.11295	0.5
172.53717	0.4
177.12740	2.7
195.13805	5.4
222.84517	0.4
251.16444	1.0
269.17487	31.5
286.05566	0.5
301.47510	0.5
373.58344	0.5
397.19479	0.4
413.21249	0.7
445.29596	0.6
463.30539	100.0
464.30698	2.6
469.93011	0.4
469.99567	0.5
607.35046	2.5
627.90149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.0
57.07068	1.4
61.02926	3.9
63.49007	0.3
65.03949	1.1
67.05505	35.5
69.03428	0.9
69.07071	11.6
69.17825	2.1
69.18230	0.5
69.68805	0.2
71.01357	0.6
71.04992	2.3
71.08628	0.3
73.02923	1.8
77.03934	0.6
79.05494	19.2
81.03425	1.7
81.07056	46.4
82.07397	0.3
83.04984	4.5
83.08620	9.2
85.02905	4.4
85.06538	2.3
91.03955	2.7
91.04900	0.4
91.05479	9.5
93.07044	34.5
95.04981	3.3
95.08606	11.4
97.02891	2.3
97.06528	6.6
97.10191	1.1
98.21542	0.5
99.04478	0.4
99.08096	2.2
105.04520	0.4
105.07041	3.9
107.04974	0.7
107.08596	19.2
109.02852	0.4
109.06491	1.6
109.10149	2.5
111.08080	4.8
111.11695	0.5
113.06039	0.7
113.09643	0.6
117.07021	4.7
119.08601	2.1
121.06516	1.0
121.10146	13.6
123.08110	0.5
123.11719	1.2
125.09653	0.4
127.03919	0.8
127.07526	0.3
128.94292	0.3
131.08572	6.3
133.10132	4.7
135.08084	1.1
135.11691	5.7
137.09673	0.4
139.11205	1.3
145.04947	0.9
145.10106	0.3
147.11687	1.2
149.13258	24.0
151.11172	0.6
153.09187	0.3
157.10127	0.3
159.11690	9.9
163.06065	0.7
165.12892	0.3
167.14336	0.5
177.12744	4.3
195.13815	6.0
213.14825	0.7
217.29861	0.3
229.14351	0.3
248.94127	0.3
251.16530	0.4
267.15768	0.4
269.17480	44.7
270.17853	0.8
275.20175	0.5
323.84912	0.3
463.30539	100.0
464.31030	2.1
557.34845	0.5
607.35022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	0.2
61.02930	0.3
62.06278	0.1
63.52225	0.1
64.11978	0.1
65.03951	0.2
67.05177	0.3
67.05510	2.8
69.03432	0.6
69.07070	1.2
71.53336	0.1
73.02919	0.2
79.05496	1.0
81.03419	0.2
81.07062	7.0
81.65401	0.2
83.08624	0.6
85.02911	4.1
91.05477	1.4
93.07050	2.3
95.04940	0.1
95.08614	17.9
96.08936	0.2
97.02918	0.7
97.06527	0.2
97.10164	0.7
99.05716	0.1
105.07037	5.5
107.08607	4.3
109.02872	0.5
109.10165	10.2
111.08091	0.2
111.11703	0.2
119.08590	9.2
121.10159	4.4
121.11030	0.3
123.11717	6.7
127.03952	1.2
131.08580	0.3
133.10143	4.7
135.11708	1.0
137.09633	0.3
137.13271	0.3
139.03880	0.5
145.04971	1.9
145.10147	0.5
147.04449	0.4
147.11700	11.2
149.13248	0.6
159.11671	0.2
160.12483	0.5
161.13269	2.8
163.03900	0.2
163.06030	1.2
163.14825	0.4
165.09123	0.5
173.13277	0.2
175.14859	1.0
201.16496	0.2
203.17970	100.0
204.18324	1.6
221.19034	4.4
223.80138	0.2
239.20047	0.7
245.80525	0.1
300.50015	0.1
311.84598	0.1
325.11237	0.5
365.23279	1.1
383.24493	0.3
637.05225	0.2
661.83221	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	819.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	14.1
57.07059	8.1
59.04990	4.8
61.02922	2.9
63.89062	2.5
65.03951	5.1
67.05509	100.0
68.87054	2.4
69.03432	42.3
69.07061	26.1
69.40028	2.8
71.01344	3.9
71.04986	5.5
71.54108	3.9
73.02903	6.2
77.03893	3.0
79.05492	58.9
81.03419	55.9
81.06598	3.4
81.07060	62.8
82.39337	2.7
83.04989	19.8
83.08624	19.9
85.02902	21.9
85.06541	3.7
87.04461	4.6
91.05481	63.3
93.07050	53.0
95.04968	17.9
95.08613	42.0
97.02894	36.5
97.06522	17.0
97.10178	18.0
99.04440	4.8
105.07034	52.9
107.04946	12.9
107.08589	29.7
109.02860	12.0
109.06512	7.5
109.10149	50.1
111.04438	4.8
111.08074	5.0
115.05421	6.8
117.07002	19.8
119.08587	38.8
121.06499	5.1
121.10117	18.8
123.08044	7.0
123.11724	3.6
125.09651	17.6
127.03942	16.4
128.06230	8.2
129.05487	6.3
129.07013	25.6
131.08562	30.3
133.06429	5.2
133.10149	34.1
135.08057	8.2
135.11697	11.1
137.09627	3.6
141.06961	7.7
142.07787	6.3
143.08557	25.2
145.06522	2.8
145.10139	27.4
147.08032	5.3
147.11668	22.2
149.09625	6.4
149.13319	3.8
153.12738	3.8
155.08566	12.8
157.10187	17.7
159.08067	5.6
159.11710	18.1
160.44145	2.9
161.09584	4.7
161.13237	8.0
163.11177	8.6
163.14749	3.5
165.06895	3.3
165.78018	2.7
167.08594	5.7
169.10139	11.5
171.11650	15.6
171.21075	2.6
173.04489	22.3
173.09596	6.7
173.11745	12.7
173.13263	9.5
175.11197	6.3
175.14780	6.1
177.12750	2.6
177.32028	2.8
179.08469	3.3
181.10031	9.0
183.07996	3.3
183.11732	11.9
185.09650	2.7
185.13219	11.6
187.11122	3.7
187.14847	5.0
189.12706	3.6
193.10081	5.0
193.12277	7.6
195.11702	4.2
197.09749	3.2
197.13316	7.7
197.53687	2.7
199.11258	4.4
199.13188	3.4
199.14868	4.7
201.12746	4.2
203.14243	3.5
209.09598	3.7
209.11609	3.9
209.13336	5.0
211.11252	4.3
211.14815	7.1
213.12721	3.4
213.16475	4.2
221.13219	3.2
227.12724	8.9
229.14311	26.8
241.19482	6.1
257.18997	7.2
259.20587	17.0
267.15817	6.5
271.20520	4.6
273.18671	3.9
273.71860	3.0
275.20056	21.0
277.21558	3.8
291.19495	11.9
295.20456	4.2
301.16309	3.6
301.21576	5.3
307.20560	3.3
313.21585	6.6
333.24261	10.4
339.23044	4.4
349.23688	10.7
367.22900	7.3
375.25223	4.4
385.23688	3.9
465.29932	3.2
487.34396	4.2
523.33893	3.3
525.36145	4.0
541.35126	19.0
542.35608	4.7
559.35876	9.7
621.41351	5.1
639.42847	14.3
647.51929	2.9
657.43695	4.0
703.40399	6.1
731.50769	3.1
801.46765	5.5
819.47717	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	819.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	10.9
67.05185	1.8
67.05511	26.0
67.47556	1.6
69.03431	15.3
69.07072	9.0
70.18491	2.8
70.18888	3.7
71.04990	6.1
79.05500	29.2
80.15775	1.6
81.03425	100.0
81.07066	29.5
83.04987	22.7
83.08623	26.4
85.02911	22.8
85.06548	3.5
91.05489	36.5
93.07052	17.7
95.04973	32.7
95.08601	11.0
97.02895	13.5
97.06522	6.7
97.10163	5.6
99.04453	4.5
105.07036	24.7
107.04966	8.2
107.08586	10.0
109.02874	8.6
109.06514	6.9
109.10169	3.4
111.04453	8.6
111.08073	13.3
113.05992	3.6
115.05492	2.7
117.00827	1.4
117.07027	3.4
119.08588	20.6
121.06521	3.2
121.10152	11.0
123.08091	3.2
123.11688	3.3
125.09654	3.1
127.03896	9.8
129.05513	3.4
129.07018	12.1
131.08607	11.7
133.06490	5.2
133.10133	11.1
135.11736	2.3
139.04047	1.7
142.07771	1.8
143.08565	2.7
145.10127	4.8
147.08011	4.1
147.11707	22.0
149.09627	9.0
153.12823	2.1
157.10141	15.3
163.11136	4.9
165.12776	6.4
171.11736	1.6
175.11205	17.2
181.12180	2.6
189.11086	2.4
193.12263	49.7
195.11656	1.7
211.13312	59.7
227.12741	2.4
229.14409	2.1
249.14850	2.0
267.15958	40.1
273.14896	2.8
283.15439	2.0
285.16977	34.4
286.17386	1.8
301.14371	4.3
319.15277	4.1
337.16489	3.0
355.17651	4.7
367.22699	3.7
375.18063	2.8
385.23758	3.1
411.20078	7.1
429.21155	16.8
429.35986	1.8
431.28482	2.6
433.25797	2.1
459.27383	28.0
477.28564	32.7
495.29575	32.0
585.30280	5.0
603.31506	6.9
621.32605	20.1
639.33813	56.5
675.78406	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.7
61.02931	5.1
67.05502	6.3
69.03438	4.0
69.19759	1.0
71.45399	1.4
72.84641	1.0
73.02928	4.4
79.05495	3.9
81.03455	0.9
81.07073	6.2
85.02909	4.0
91.03968	3.3
91.05488	3.7
93.07045	6.3
95.08628	4.3
97.02914	4.5
99.04474	1.4
105.07054	3.3
107.08614	3.0
109.10181	1.1
114.95761	1.0
119.08604	3.6
121.10165	2.3
125.00006	1.0
127.03934	1.5
131.08635	1.7
132.06566	1.3
133.10213	2.8
135.11711	1.1
140.66310	1.2
145.10257	1.6
184.07393	1.7
186.93835	1.2
191.88002	1.0
243.08481	3.5
262.22900	1.5
519.29346	8.1
535.28693	3.3
591.31293	1.4
813.51233	100.0
814.51202	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	817.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71212	3.0
57.03418	7.9
61.63885	2.9
65.03936	3.2
67.05506	50.1
69.03423	23.3
69.07054	13.0
71.04989	23.4
71.54399	4.6
79.05499	45.3
80.52491	3.0
81.03420	100.0
81.06596	4.4
81.07057	84.6
83.04973	16.7
83.08620	21.6
85.02914	20.6
85.06532	8.4
91.05482	42.9
93.07048	30.1
95.04975	26.2
95.08604	18.5
97.02897	29.4
97.06520	10.2
97.10153	6.8
99.04444	4.9
99.08057	3.7
105.07055	25.3
107.04941	9.9
107.08605	20.9
109.02879	16.4
109.06522	8.5
109.10135	10.3
111.04437	13.6
111.08054	9.0
115.05434	4.4
117.07011	12.4
119.08595	16.9
119.81705	2.6
121.02835	3.3
121.06483	8.2
121.10123	12.2
123.04405	7.7
123.11680	11.5
125.09611	3.5
127.03955	16.3
127.04722	3.4
129.05431	5.4
129.06999	10.7
131.08577	19.7
133.06488	3.0
133.10132	21.3
135.08044	4.4
135.11673	9.7
139.03908	5.4
145.06479	3.9
145.10106	7.1
147.04434	4.8
147.08076	3.5
147.11685	14.8
149.09616	6.5
149.13190	6.5
151.11169	7.4
154.32927	3.1
157.10124	12.5
159.11629	5.7
163.03911	3.8
163.11157	4.7
173.04462	11.2
175.11176	10.9
177.12718	7.3
181.12177	3.4
183.13809	3.7
185.09503	3.7
187.13303	6.6
189.12720	3.8
193.12253	25.0
195.13751	3.5
199.32716	2.9
205.12273	3.0
211.13309	17.6
243.15842	3.4
249.14838	4.1
257.17398	3.2
267.08893	3.4
267.15833	16.0
269.17487	12.3
285.17004	9.8
301.14261	9.7
301.20187	3.8
319.15408	3.7
411.20175	4.3
429.21375	3.3
430.18051	4.9
435.27222	11.1
443.27484	3.7
445.24359	6.6
453.28204	9.7
461.28967	35.7
477.28616	4.1
479.30008	9.7
503.29636	5.1
511.32480	7.0
519.28912	3.8
561.30292	5.3
569.31183	5.0
579.30933	3.6
587.31989	7.8
589.33337	5.2
597.32147	6.8
605.32855	13.4
623.34247	36.6
637.35120	10.5
655.37103	20.1
767.38251	3.6
799.40063	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	809.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
58.80334	0.8
59.04995	0.8
61.02924	3.8
67.05513	6.2
69.03436	2.9
69.07067	2.7
71.05003	1.7
71.45464	0.8
73.02927	2.9
79.05498	4.1
79.37366	1.0
81.03426	6.1
81.07060	6.8
83.04987	2.0
83.08616	1.9
85.02895	3.3
91.03984	2.7
91.05492	5.2
93.07064	3.8
95.04997	2.4
95.08605	3.0
97.02904	4.6
97.03455	0.8
97.06523	0.9
97.10158	0.8
97.19337	0.7
99.04474	1.4
101.02367	1.2
105.07037	3.3
107.04964	1.0
107.08623	3.5
109.02896	1.4
109.10173	2.6
119.08602	2.3
121.06566	1.0
121.10170	3.0
127.03926	1.2
129.06970	1.0
131.08569	1.5
133.10161	2.5
147.11707	1.7
149.09660	2.1
151.11252	1.2
157.10226	1.5
175.11198	1.6
179.75404	0.9
184.07132	0.9
193.12306	3.2
243.08485	3.5
253.14417	1.0
267.15958	1.6
283.15317	3.4
313.17896	1.0
331.18887	3.1
340.24356	1.0
366.66226	0.8
451.19510	1.3
501.23117	15.0
506.25110	1.0
531.25580	1.9
539.53949	1.1
549.27081	3.1
573.25500	1.7
576.38251	1.0
583.36072	1.2
604.25421	0.9
639.30811	1.1
706.39282	0.9
711.35443	2.3
791.41534	5.9
809.42859	100.0
810.43121	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	808.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	17.1
57.07060	5.6
59.04989	1.6
59.39691	1.6
61.02924	2.9
65.03922	3.9
67.05508	100.0
69.03415	3.1
69.07069	28.6
71.04980	3.6
71.13116	3.2
75.51354	1.5
79.05497	82.2
81.03423	2.8
81.07062	93.8
83.04971	4.4
83.08630	11.1
85.02910	4.2
85.06535	3.4
91.04916	2.1
91.05489	73.0
93.07051	96.0
95.04974	9.0
95.08617	68.5
97.02876	2.5
97.06525	5.3
97.10179	5.0
99.08109	3.3
105.04501	3.0
105.07037	77.4
107.08605	51.3
109.06518	4.6
109.10172	33.2
111.08083	2.5
113.48669	1.5
115.05421	3.4
117.07030	20.6
119.08588	54.5
121.10155	38.8
123.08048	1.8
123.11699	8.6
129.07022	11.6
130.07785	2.4
130.23271	1.7
131.08572	38.3
133.10139	50.6
135.07993	2.1
135.10695	2.7
135.11694	30.5
137.13220	3.5
140.91783	1.7
142.07745	1.7
142.96132	1.6
143.08553	11.9
145.10138	28.8
147.11688	40.0
149.09630	1.7
149.13289	17.9
151.11201	2.0
155.08603	4.0
157.10158	10.7
159.11702	30.4
161.13268	29.4
162.22713	1.7
163.11185	2.7
163.14815	6.6
165.12720	1.9
169.10138	5.3
171.11710	15.2
173.13293	18.0
175.14854	12.3
177.12511	1.9
183.11693	3.7
185.13269	14.2
187.14784	6.9
189.16312	2.4
197.13222	1.7
199.14870	8.5
201.16513	4.0
209.13412	2.0
213.16353	5.0
215.17914	1.7
217.19434	2.1
229.19487	2.6
231.17488	2.6
231.21159	5.1
239.17953	5.0
241.19521	26.5
243.21074	4.9
257.19043	8.6
259.20590	59.4
260.20837	2.4
261.22122	11.6
277.21704	2.7
299.23886	1.5
315.23169	5.3
317.25388	1.6
331.22717	2.9
333.24265	52.3
333.28238	3.0
335.25821	93.6
337.27332	6.4
351.25278	2.7
375.25446	2.0
385.23502	1.6
519.41815	6.6
529.38702	1.9
537.43451	3.5
541.38397	2.0
593.45844	16.2
611.46735	63.5
647.45953	2.1
662.41895	1.9
701.48120	3.1
737.50421	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.9
57.07061	1.0
60.22922	0.7
62.75578	0.7
65.03934	2.0
67.05505	30.1
69.07070	16.2
71.04991	1.1
74.87612	0.7
79.05495	22.8
79.78149	0.7
81.03410	3.2
81.07056	36.2
81.77637	0.7
83.04987	4.3
83.08608	5.8
85.06504	1.0
91.05481	26.5
93.07045	25.2
95.01336	3.8
95.04948	3.7
95.08610	23.3
97.06530	10.4
97.10184	1.6
99.08070	1.2
105.04536	1.5
105.07030	30.2
107.04338	0.9
107.04961	5.3
107.08591	13.6
109.06516	3.4
109.10164	8.6
111.08067	1.4
117.07012	7.4
119.08583	19.2
121.06551	2.0
121.10143	8.1
123.08060	1.5
123.11716	2.4
125.09631	0.8
129.06992	2.1
131.08554	11.7
131.09512	0.9
133.10130	18.8
135.08089	1.8
135.11684	5.2
137.09621	2.0
143.08563	1.2
145.10124	8.6
146.08121	1.0
147.08096	1.0
147.11694	7.5
149.09613	2.0
149.13228	3.7
155.08519	0.9
157.10165	2.0
159.11722	4.0
161.13281	3.2
163.11243	2.0
163.14804	0.8
171.11682	1.8
173.13272	2.0
175.15042	0.8
177.12808	1.1
179.14307	5.9
183.79912	0.8
187.11247	1.0
193.12364	0.8
197.13145	0.9
219.17429	4.1
257.19153	1.1
261.22357	1.1
267.15759	0.9
275.20047	26.8
293.21066	2.3
317.24628	0.8
335.25793	57.7
336.26233	1.7
349.23749	16.4
367.32101	1.5
422.99246	0.9
559.43018	0.9
609.45129	100.0
610.45398	4.1
627.45142	1.4
760.60101	0.9
806.50824	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35163	1.3
57.03447	13.6
57.07082	1.4
58.72346	1.2
59.05012	1.5
60.97076	1.2
65.03938	3.6
67.05508	61.1
69.03420	5.8
69.07072	20.2
70.06571	1.4
70.68746	2.3
71.04993	12.1
73.02912	1.6
75.57829	1.2
79.05499	47.3
81.03425	50.5
81.07059	64.7
83.04988	16.2
83.08624	22.3
83.09113	1.4
85.02440	1.7
85.02906	20.8
85.06529	3.8
91.05486	50.7
93.07050	46.2
95.04979	25.3
95.08612	24.5
97.02901	5.9
97.06537	17.1
97.10207	7.1
99.04469	1.8
99.08073	3.6
105.07032	35.6
107.04976	9.0
107.08601	31.9
109.06545	8.2
109.10152	14.6
111.04446	2.7
111.08076	11.7
113.06017	2.8
115.05451	1.7
117.07011	11.9
119.08592	27.9
121.06509	5.1
121.10149	20.0
123.08055	3.9
123.11713	4.5
124.74995	1.2
125.09642	5.2
127.03938	2.8
129.06998	11.4
131.08582	21.4
133.06499	3.0
133.10141	19.3
135.08047	4.9
135.11684	8.6
137.09602	2.4
139.11259	1.7
142.07774	3.4
143.08530	2.0
145.06590	1.4
145.10126	10.4
147.04382	1.8
147.08038	4.4
147.11697	16.5
149.09630	11.5
149.13258	9.5
151.11211	3.0
155.08557	2.2
157.10132	16.0
159.11684	10.4
161.09605	1.6
161.13202	1.8
163.11171	7.0
165.12762	4.0
169.10118	2.0
171.11757	2.4
173.09515	1.4
173.11835	3.1
173.13281	3.1
175.02435	1.4
175.11229	11.3
177.12698	3.1
179.14375	2.4
181.10103	2.0
189.11244	1.8
193.12230	28.1
195.13826	2.7
211.11427	1.2
211.13293	34.2
227.12798	5.5
229.14282	6.8
247.20668	1.9
247.32466	1.2
249.14740	1.9
257.19162	6.7
267.15945	26.2
269.17499	12.7
275.20084	18.8
285.14063	2.2
285.17001	31.0
293.17676	1.5
293.21185	1.7
294.10684	1.4
301.35760	1.4
339.17978	2.3
349.23740	17.2
381.26654	3.1
395.20734	1.7
413.21774	10.0
421.25894	2.8
433.29477	1.6
435.26459	1.4
439.26910	16.5
443.27841	4.4
447.27679	2.2
461.22556	2.0
461.29053	41.1
479.30051	100.0
480.30634	1.6
503.30231	2.2
523.33832	1.6
541.35266	16.6
557.30365	1.5
559.36407	28.6
569.31183	3.1
573.37744	1.7
577.37207	3.5
587.32007	3.4
591.39246	14.5
605.32971	6.8
623.34259	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	806.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03161	1.3
57.03442	22.2
57.07070	2.1
58.75159	0.9
59.05012	4.9
59.69068	0.9
61.02921	3.9
62.28880	0.9
65.03945	5.1
67.05508	100.0
69.03429	6.2
69.07071	17.3
69.86555	4.3
71.01350	2.4
71.05001	9.7
73.02918	2.4
79.05497	49.4
81.03422	82.0
81.07060	57.8
83.04985	23.8
83.08622	38.3
83.09126	1.6
85.02908	39.9
85.06554	4.6
87.04470	6.0
91.03950	1.8
91.05486	50.3
93.06487	2.0
93.07052	33.0
95.04974	33.8
95.08614	24.5
97.02901	8.7
97.06528	11.1
97.10175	18.9
99.04466	1.8
99.08101	2.7
105.04504	1.4
105.06311	1.4
105.07037	36.7
107.04967	13.2
107.08597	18.4
109.06532	9.2
109.10164	64.1
111.04436	4.0
111.08089	19.3
113.06006	3.1
115.05453	2.3
116.04710	1.8
116.06175	1.0
117.07027	4.7
119.04963	1.6
119.07841	1.1
119.08582	29.3
121.06496	4.1
121.10139	12.3
123.08057	4.3
123.11705	2.1
125.06013	1.4
125.09638	16.8
127.03918	1.2
129.04643	1.0
129.05486	4.4
129.07001	12.7
131.08566	18.2
133.06485	3.4
133.10133	15.3
135.08041	2.1
135.11684	4.2
137.06010	1.2
137.09589	5.1
139.11180	1.0
142.07765	3.6
143.10661	2.2
145.04820	1.3
145.10127	8.6
147.08073	5.7
147.11687	18.2
149.09641	9.4
151.11243	1.5
153.12738	4.3
155.08681	1.1
155.10661	3.5
157.08813	2.3
157.10138	18.9
163.11189	8.9
165.09184	1.0
165.12770	3.8
173.09627	1.4
173.10150	1.5
173.11749	20.6
173.13231	1.9
175.11186	18.6
181.12238	3.5
185.11755	1.4
189.11212	1.5
191.10663	4.5
193.12257	68.4
199.13371	7.3
209.11742	7.9
209.28093	1.0
211.13300	90.0
217.14366	2.1
227.12799	10.0
229.14362	63.5
249.14828	2.2
257.13589	1.3
265.14224	2.1
267.15942	38.4
273.18646	1.2
283.15436	5.5
285.16974	69.0
293.21103	1.0
301.16547	14.3
399.23788	26.6
409.25717	4.1
411.20172	1.0
421.25870	15.8
427.26978	3.0
439.26965	55.4
459.27594	1.7
475.26782	2.5
476.27216	1.6
477.28604	1.8
493.28043	5.8
494.28964	1.9
495.29410	1.3
511.29025	13.7
529.30023	3.1
559.36102	5.7
591.35059	4.2
609.36365	49.9
610.35883	1.0
613.11017	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	19.9
57.07074	3.3
60.08179	1.6
65.03931	4.9
67.05510	68.3
69.03429	2.1
69.07073	9.7
70.69643	2.1
71.04989	3.0
71.08582	1.2
75.09274	1.0
79.05496	39.3
81.03418	4.0
81.07062	55.6
83.04974	4.0
83.08628	6.9
85.06547	9.1
86.09704	2.0
86.89907	1.1
89.06053	1.2
91.05483	30.3
93.06574	1.1
93.07047	38.4
95.04975	52.7
95.08614	27.5
97.06545	6.4
97.10177	3.1
99.04510	1.7
105.04497	1.2
105.07043	22.5
107.04969	6.8
107.08600	23.7
109.06524	58.4
109.10175	9.1
111.04417	1.7
111.08081	3.0
113.06011	25.8
115.05483	1.4
117.07021	14.4
119.08598	18.0
121.06495	6.9
121.10148	11.8
123.08061	4.9
123.11721	1.7
125.00009	2.6
125.09639	2.4
128.06284	2.5
129.07005	7.1
131.08578	17.2
133.06514	3.4
133.10150	9.8
135.08058	37.2
135.11688	8.9
137.05995	1.4
137.09648	2.3
141.06972	1.9
143.08551	8.1
145.10132	11.9
147.08080	6.9
147.11705	5.4
149.09639	6.6
149.13243	3.5
155.08618	1.3
157.10138	5.2
159.08064	3.3
159.11732	5.7
161.09610	7.5
161.13293	2.4
163.11238	2.2
163.14729	1.2
169.10155	1.5
171.11708	3.5
173.09668	1.8
173.13264	4.5
175.11197	3.1
175.14838	1.3
177.12784	1.9
180.80779	1.1
183.11723	1.6
184.07336	8.0
185.07690	1.2
187.11220	1.5
195.13785	1.9
199.14871	2.1
201.12766	2.0
217.15886	11.8
227.18040	2.2
242.13432	1.1
245.18961	1.6
255.17500	1.9
264.52689	1.1
273.18509	32.9
274.18793	1.4
275.20026	2.5
283.01862	3.4
291.19562	100.0
309.20590	2.1
335.25827	43.7
343.18082	1.1
347.22131	8.7
365.23245	16.8
429.94186	1.1
509.38950	1.3
539.15582	1.2
545.37885	2.5
552.55988	1.1
567.40289	3.4
607.43542	15.0
625.44617	72.8
689.71661	1.3
805.40686	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	803.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	17.7
57.07057	3.4
61.02921	6.3
65.03933	6.1
67.05511	100.0
69.03437	27.7
69.06734	3.1
69.07078	41.7
69.89258	11.4
69.89619	3.8
71.04981	9.1
73.02910	4.3
77.03893	3.7
79.05499	88.6
81.03426	41.2
81.06596	5.0
81.07068	96.1
83.05002	15.3
83.08633	19.9
85.02925	17.5
85.06539	7.7
91.05490	76.3
93.06481	4.9
93.07050	74.3
93.82095	2.4
95.04974	21.8
95.08070	3.6
95.08620	56.3
97.02896	19.0
97.06542	24.5
97.10183	20.1
98.20754	3.5
99.04443	5.8
99.08122	3.1
103.03944	2.8
105.07039	70.3
107.04974	25.4
107.08605	57.9
109.02884	11.3
109.06520	16.6
109.10162	32.3
111.04417	3.7
111.08061	8.6
113.14899	2.6
115.05447	3.4
117.07032	34.5
119.08595	49.2
121.06519	8.8
121.10137	23.6
123.08074	8.5
123.11700	7.6
125.09643	14.6
126.86401	2.4
127.03905	9.7
128.06239	3.9
129.07039	12.9
130.07831	3.6
131.08585	41.0
133.10152	44.2
135.08067	11.1
135.11719	14.0
137.09627	7.7
141.06985	5.4
143.08537	13.9
145.06506	4.0
145.10130	34.8
147.08083	5.3
147.11725	26.2
149.09636	23.1
149.13246	8.0
151.11182	4.4
153.09105	3.0
154.07831	4.3
155.08560	9.0
157.10138	15.8
159.11731	21.8
161.09659	6.8
161.13261	13.5
163.11189	12.2
165.12717	4.1
169.10213	13.4
171.11702	14.9
173.04524	13.6
173.09631	4.7
173.11841	4.1
173.13278	13.9
175.11098	5.7
177.12782	5.8
179.08559	3.3
179.14268	4.4
181.10153	4.9
183.11743	11.9
185.13225	7.1
187.11217	4.9
187.14847	5.5
189.11226	6.9
189.12738	3.5
191.14320	3.5
195.11580	3.7
197.13242	8.3
199.14922	3.0
201.12660	2.4
209.13278	3.1
213.12782	3.0
225.16379	2.5
227.12720	17.7
229.14375	8.3
229.19559	5.8
239.17883	6.6
247.20654	4.7
257.18994	17.9
269.17319	6.9
273.18411	4.6
275.20096	86.2
276.20544	3.3
277.21738	3.1
291.19568	3.8
293.21091	10.0
323.20383	3.2
331.22589	5.6
347.92764	2.9
349.23792	49.4
367.24686	6.7
383.22357	5.7
419.24347	3.5
447.12781	2.8
475.26807	3.3
493.27896	4.6
503.33698	3.2
525.35669	5.4
527.36993	4.5
529.34998	4.8
543.36932	37.2
595.44147	3.4
605.42072	4.2
623.43079	41.2
641.44080	25.4
687.40289	11.2
705.41498	5.7
767.46936	5.1
785.47601	8.0
803.48822	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	803.494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	13.6
59.04992	3.8
61.02914	8.2
65.03922	6.6
67.05512	92.4
69.03432	23.6
69.07075	42.0
70.97077	5.4
71.03976	2.4
71.04973	9.1
73.02898	2.6
79.05503	87.4
81.02993	3.1
81.03426	42.5
81.07063	100.0
83.04986	18.1
83.08633	21.7
85.02905	15.6
85.06559	3.7
91.05487	81.6
92.58981	2.5
93.06490	4.7
93.07055	81.6
95.04993	19.2
95.08615	58.1
95.85357	2.6
97.02904	18.7
97.06546	33.5
97.10170	19.6
99.04440	5.8
99.08085	3.3
101.02315	2.6
105.04510	2.6
105.07037	78.6
107.04977	29.8
107.08611	55.9
109.02903	8.9
109.06514	11.3
109.10166	33.6
111.04453	4.2
111.08057	5.4
115.05463	7.0
115.54416	2.8
117.07039	32.4
119.08595	50.6
121.06509	8.7
121.10152	24.0
123.08070	7.5
123.11686	9.9
125.09630	18.9
127.03908	8.8
128.06247	6.0
129.05492	5.9
129.07001	20.5
130.07829	2.9
131.04942	3.0
131.08580	36.4
133.06487	6.5
133.10152	41.4
135.08064	12.1
135.11722	16.4
137.09616	8.3
139.11203	3.5
141.07034	4.7
142.07791	4.3
143.08551	15.4
144.09299	2.6
145.06490	3.4
145.10129	36.3
147.07985	5.8
147.11707	26.3
149.09659	25.4
149.13255	11.7
151.11150	3.9
155.08545	11.2
157.06456	2.8
157.10170	14.7
159.08066	5.4
159.11694	24.9
161.09631	3.2
161.13258	11.2
163.11177	12.6
165.12743	4.5
167.08502	4.8
169.10172	11.7
171.11668	14.7
173.04466	11.5
173.09592	4.1
173.11853	4.5
173.13251	13.9
175.11143	4.9
175.14864	3.8
177.12756	6.0
179.08554	2.7
179.14265	3.9
181.10075	6.6
183.10207	2.4
183.11693	13.5
185.13231	5.7
187.11142	5.8
187.14784	4.2
189.11223	9.6
189.12721	3.8
195.11760	4.5
195.13882	4.2
197.13188	7.1
199.14859	5.2
201.12784	4.1
207.05620	2.3
207.11548	2.6
211.14851	4.1
221.13440	3.3
223.14986	3.1
227.12842	25.3
227.17841	3.0
229.12308	2.8
229.14326	10.6
229.19576	7.0
237.91595	2.5
239.17966	9.4
247.20493	4.3
257.19040	17.2
267.16043	3.1
269.17465	5.8
275.20084	91.0
277.21823	2.5
291.19623	5.6
293.21158	10.2
299.19937	2.8
301.20807	2.4
313.21506	3.1
331.22623	7.0
349.23730	60.8
367.24524	3.8
401.22986	4.1
413.21597	5.3
503.33350	3.4
511.34830	3.9
525.35547	5.5
527.36920	5.2
529.35022	4.9
531.38165	3.1
543.37000	28.7
549.38300	3.2
595.43756	3.3
605.41724	5.4
623.43036	42.4
641.43958	34.5
687.40851	11.3
705.41821	3.4
785.48267	7.6
803.48547	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	803.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	28.2
57.07068	3.2
61.02925	4.3
65.03931	6.5
67.05509	78.6
69.03421	5.3
69.06786	1.8
69.07076	19.9
69.29926	16.0
71.05013	3.4
75.91959	1.8
79.05499	57.1
79.80035	1.7
81.03426	10.2
81.07062	72.5
82.98166	1.8
83.04979	6.1
83.08638	9.6
85.02910	6.8
85.06549	13.1
91.03960	3.2
91.05488	66.6
93.07051	55.8
95.04975	57.1
95.08614	39.9
97.02879	3.9
97.06516	9.9
97.10178	5.2
99.04457	2.0
103.05421	2.9
105.07042	57.0
107.04973	19.5
107.08604	37.7
109.06524	64.3
109.10167	14.7
111.08085	4.2
113.06010	38.5
113.09657	2.4
117.07014	30.6
119.08588	39.8
121.06485	8.6
121.10152	20.3
123.08073	7.9
125.09678	3.9
127.03891	1.8
128.06300	5.1
129.07021	18.9
130.07782	2.2
131.08585	37.8
133.06534	4.8
133.10138	31.8
135.08061	51.5
135.11678	15.5
137.05954	2.3
137.09541	1.8
141.07004	8.1
142.07823	2.7
143.08565	18.2
145.06505	7.1
145.10123	32.9
146.18016	1.9
147.08058	7.8
147.11688	19.5
149.09604	7.6
149.13274	9.0
151.11188	3.1
154.07903	2.2
155.08568	7.8
157.10115	16.1
159.08061	5.8
159.11714	22.6
161.09636	10.6
161.13260	12.2
163.11205	6.1
165.06993	2.2
166.07372	1.7
167.08578	2.6
169.10143	7.4
171.08046	2.0
171.11670	17.2
173.09555	2.4
173.13300	11.0
175.11209	4.4
175.14832	7.8
177.12756	7.2
181.10178	4.3
183.11705	5.4
185.13280	10.0
187.11143	6.2
187.14830	7.7
189.12726	2.1
193.10127	2.7
195.11761	5.0
195.13773	3.4
197.13240	4.1
199.11194	2.4
199.14819	7.4
201.12822	4.1
201.16386	3.9
209.13261	3.4
211.14790	2.2
217.15916	13.5
227.17995	3.5
231.21130	2.8
234.45744	2.1
237.16460	3.6
241.19504	9.0
255.17384	2.7
257.18997	6.7
259.20551	14.5
264.92450	2.2
273.18515	25.8
275.20041	5.9
279.15939	12.8
291.19571	71.9
292.19638	2.6
297.17038	2.1
315.23199	6.1
320.75467	1.9
327.26782	6.0
333.24210	32.5
347.22116	8.7
349.23831	3.4
365.23282	17.1
438.72440	2.3
513.36877	3.7
529.36047	2.0
531.38025	5.2
543.36761	5.4
549.39594	3.5
565.39032	3.0
605.42120	17.9
623.43103	100.0
624.43109	4.1
641.44019	27.4
803.46832	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	803.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	15.7
60.95068	3.6
61.02924	4.5
65.03918	3.9
67.05181	5.1
67.05512	65.7
68.77144	3.6
69.03434	19.3
69.07072	24.1
70.06546	3.8
70.80929	9.7
71.04985	15.3
71.78051	3.8
73.02929	5.0
73.87622	3.8
79.05498	49.4
79.89935	4.0
80.78363	4.3
81.03424	100.0
81.07066	78.5
83.04987	31.5
83.08618	29.4
85.02905	26.2
91.05493	35.1
93.07052	58.3
95.04974	32.2
95.08614	19.1
97.02875	18.5
97.06524	13.7
97.10165	4.5
99.04453	4.6
105.07043	27.6
107.04984	10.8
107.08614	28.6
109.02877	13.8
109.06502	9.2
109.10169	9.1
111.04456	13.2
111.08073	14.9
115.05508	5.3
117.07043	9.9
119.08569	24.3
121.10152	22.3
127.03924	9.1
129.06995	16.9
130.23030	3.4
131.08600	20.9
133.10133	18.3
135.11703	9.8
137.06036	4.4
145.06496	6.8
145.10110	6.8
147.08043	4.7
147.11690	20.0
149.09518	5.3
149.13298	22.4
150.05333	3.9
150.80014	4.0
157.10114	16.9
159.11711	11.8
163.11198	7.5
175.11212	12.9
177.12758	7.4
184.43982	3.8
193.12236	35.4
195.13838	7.2
199.78120	3.5
211.13307	35.8
267.16028	37.3
269.17542	63.2
285.16962	20.4
328.33609	4.6
355.17548	4.2
413.21732	11.4
429.21033	8.2
432.27478	4.0
461.29037	76.8
479.30066	63.3
605.33234	12.5
606.32019	4.3
623.34369	66.4
803.37451	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	802.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	8.6
57.07075	2.1
58.18121	1.1
58.36933	0.8
61.02929	2.4
67.05513	35.2
67.05881	1.7
69.03445	2.8
69.07068	8.7
69.65933	0.8
69.94827	0.9
70.16143	0.8
71.04993	1.9
79.05501	28.6
79.50103	0.8
81.03425	48.6
81.06587	1.9
81.07066	34.7
83.04998	5.5
83.08624	13.2
85.02914	1.8
85.06544	1.3
90.76141	1.0
91.04915	0.9
91.05486	20.9
93.07053	29.2
95.04979	16.4
95.08613	27.3
97.02906	3.2
97.06547	3.6
97.10194	3.7
103.05485	1.3
105.07040	17.6
107.04996	4.6
107.08594	15.9
109.06529	2.8
109.10161	11.8
111.04449	1.3
111.08093	4.0
117.07014	4.7
119.08583	16.2
121.06476	1.2
121.10153	13.8
123.04427	0.9
123.08070	1.8
123.11686	5.6
125.09632	2.5
129.07014	5.7
131.08586	12.8
133.06517	2.5
133.10156	10.2
135.08028	1.7
135.11717	8.9
137.13275	1.8
142.07773	1.7
143.08652	1.4
145.10158	7.1
147.08069	2.8
147.11719	9.4
149.09612	3.2
149.13263	4.9
157.10133	8.2
159.11716	6.2
161.13284	2.6
163.11244	2.4
163.14870	2.0
165.12840	1.3
169.10120	1.0
171.10275	0.9
171.11751	1.5
173.13287	3.9
175.11192	6.4
175.14905	2.1
179.14450	1.0
183.11610	1.0
185.13344	1.1
187.14828	2.8
189.11252	2.1
193.12256	17.0
201.16470	0.9
205.12349	0.8
211.13264	2.2
212.17021	0.9
213.16449	1.0
222.77077	0.9
227.12805	4.2
235.13385	1.1
243.21120	6.3
249.14870	1.2
259.20624	1.1
261.22171	19.7
267.15939	100.0
268.16183	1.0
285.16998	1.7
301.20062	1.0
301.25296	4.3
309.17114	1.2
317.24747	4.3
335.25815	80.6
336.26102	1.2
421.25894	1.9
435.27289	1.8
435.32568	4.4
453.33612	5.6
471.34619	3.3
475.30688	1.2
527.37384	60.7
528.37744	1.7
545.38409	50.1
546.38641	1.6
559.39905	2.0
590.44159	1.4
752.49359	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	13.4
61.02942	4.5
62.71623	2.7
67.05176	5.1
67.05507	54.6
69.03418	9.5
69.07069	26.3
71.04970	5.5
79.05495	43.4
81.03419	53.8
81.07053	55.2
83.04987	17.6
83.08613	19.7
85.02909	15.2
85.18426	2.8
91.05485	50.0
93.07046	36.9
95.04961	21.7
95.08588	20.0
97.02924	8.0
97.06527	12.7
97.10176	9.0
98.03384	3.0
105.07024	27.3
107.04950	11.3
107.08605	26.3
109.06508	10.3
109.10151	12.4
111.08075	8.8
117.07021	13.6
119.08593	28.9
121.10126	16.3
123.08066	6.4
123.11701	4.0
125.09625	9.5
129.07004	11.8
131.08557	22.2
133.10114	24.5
135.07993	5.1
135.11688	11.7
137.09622	3.5
142.07533	3.3
143.08560	3.8
145.10112	11.7
146.08153	14.8
147.08116	2.7
147.11703	25.0
149.09619	14.5
149.13289	6.0
157.10083	15.6
159.11705	11.5
163.11208	10.6
173.13167	4.9
175.11229	15.7
181.12297	3.5
189.11246	7.4
189.12852	3.5
193.12270	43.8
195.13873	7.9
208.11775	3.7
209.80730	3.1
211.13295	91.5
227.12741	26.5
229.19490	4.5
255.15894	12.3
257.19006	15.8
267.15915	54.2
267.35300	3.6
269.17505	43.5
275.20004	44.5
285.16977	100.0
293.21115	5.7
299.26434	3.1
331.22708	5.9
349.23758	60.4
367.24564	6.1
437.25305	3.7
443.28024	4.9
447.27542	5.2
455.26511	4.1
461.28891	33.1
463.30466	5.8
465.28659	18.2
479.30032	96.9
541.35266	24.0
559.36273	48.5
577.37305	12.6
676.48444	3.8
760.53485	3.5
802.49585	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	797.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
61.02930	6.2
67.04123	0.3
67.05507	6.1
69.03431	3.4
69.07072	1.7
71.01353	0.4
71.04998	0.7
71.50923	0.4
72.31490	0.2
73.02918	4.0
79.05494	3.9
81.03429	1.7
81.07062	5.1
82.04721	0.3
83.05006	0.4
83.08636	0.7
85.02911	6.3
87.04467	0.5
91.03963	3.3
91.05490	2.3
93.07047	4.7
93.07635	0.3
95.08609	4.5
97.02894	5.4
97.06522	0.3
99.04458	0.9
101.02400	1.9
103.03961	0.5
105.07040	1.7
107.08598	2.2
109.02895	0.9
109.10157	1.8
115.03933	0.4
117.07063	0.5
119.08586	1.2
121.10147	1.8
123.11749	0.6
127.03931	1.6
131.08589	0.7
133.10167	1.0
134.04073	0.3
135.11685	1.5
145.05063	0.2
145.10149	0.5
147.11748	0.6
149.13309	0.6
150.93712	0.3
159.11707	0.3
161.13277	0.4
173.13281	0.5
174.86861	0.2
185.04320	0.7
203.05338	0.7
243.08321	1.6
335.25928	0.9
497.31421	0.3
519.29352	11.5
524.29047	0.3
690.31726	0.3
797.51740	100.0
798.52124	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	802.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.2
61.02944	3.4
65.03940	5.3
67.05177	3.9
67.05508	42.5
69.03423	8.0
69.07074	20.6
69.27718	25.9
71.04984	5.7
79.05499	36.4
81.03421	45.6
81.07062	49.8
83.04976	19.6
83.08623	24.5
83.75912	2.5
85.02931	12.9
85.06553	4.0
91.05483	44.5
93.07050	29.6
95.04977	19.6
95.08623	20.0
97.02865	5.7
97.06522	11.9
97.10179	10.5
100.07647	4.1
105.07041	34.6
107.04964	8.0
107.08613	29.5
109.10172	10.4
111.04498	3.9
111.08075	9.3
115.05456	3.3
117.07012	12.5
119.08588	31.3
119.89014	2.7
120.79668	2.6
121.10159	11.4
123.08086	3.4
125.09669	6.8
127.03945	3.2
128.20244	2.6
129.05476	4.1
129.06998	16.4
131.08595	24.3
133.06479	2.7
133.10136	24.3
135.08127	4.0
135.11690	9.9
143.08519	3.3
145.10156	11.3
146.08122	12.6
147.07973	4.4
147.11714	16.8
149.09656	14.2
149.13274	7.7
153.52554	2.7
155.08536	3.0
157.10149	9.6
159.11714	9.0
163.11171	10.0
165.12746	6.4
171.11642	3.8
173.13289	3.6
175.11218	12.4
177.12775	7.6
179.14417	4.9
189.11185	6.2
193.12263	46.4
195.13776	6.6
208.11784	3.0
211.13307	86.6
221.63126	3.1
227.12785	26.4
229.19916	2.5
232.04871	2.5
245.13654	3.4
255.15906	20.9
257.19058	12.4
267.15927	48.6
269.17484	46.2
275.20111	48.5
285.10114	3.8
285.16989	100.0
293.20975	6.0
349.23752	63.2
367.24789	3.2
413.21909	3.5
416.95502	2.8
437.25467	4.9
447.27246	10.5
455.26025	6.7
461.29083	36.7
463.30328	4.8
465.28351	12.0
479.30075	82.1
519.32874	2.9
541.35095	25.0
555.32898	4.0
559.36340	57.8
577.37146	10.4
802.49023	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	795.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.0
59.04991	0.3
61.02932	4.4
67.05511	4.1
69.03441	2.6
69.07073	1.5
70.06578	0.4
71.01372	0.3
71.04998	1.1
73.02932	3.5
79.05498	4.8
81.01796	0.3
81.03426	3.1
81.07070	3.9
83.04990	0.6
83.08645	0.7
85.02908	4.7
87.04466	0.6
91.03959	2.6
91.05487	4.2
93.07052	4.7
95.04990	0.8
95.08629	2.1
97.02905	3.5
97.06518	0.4
99.04464	0.8
101.02400	1.4
103.03953	0.5
105.04519	0.4
105.07037	3.1
107.04983	0.4
107.08595	2.5
109.02886	0.7
109.06558	0.3
109.10186	0.7
111.08141	0.5
115.03989	0.4
115.05460	0.3
117.06989	0.6
119.08595	2.9
121.06561	0.4
121.10153	2.2
123.11724	0.4
127.03903	1.5
127.05836	0.3
127.06839	0.3
129.05490	0.7
129.07048	0.9
131.08549	1.7
133.10165	2.7
135.11757	0.7
142.07829	0.3
143.08582	0.5
145.10165	0.9
147.11652	1.6
149.09636	1.4
149.13284	0.5
157.10213	0.8
161.13354	0.4
167.10716	0.3
171.11633	0.4
173.13242	0.3
174.80757	0.3
175.11278	0.4
185.04311	0.7
185.13304	0.4
193.12311	1.1
201.03793	0.3
203.05312	0.6
205.05119	0.2
225.14752	0.3
241.06760	0.4
243.08432	3.5
259.20593	0.4
267.15958	0.5
283.15198	5.1
299.19653	0.3
301.09036	1.1
313.09192	0.4
315.10580	0.8
317.21143	0.3
337.39447	0.3
339.18045	0.9
339.93051	0.3
373.10815	0.4
373.23721	0.3
381.19086	0.4
385.18436	0.3
397.18338	0.3
427.19327	0.5
453.20886	0.4
463.06702	0.3
465.21249	1.0
469.20657	0.7
485.23471	0.5
501.23108	11.8
519.33948	0.3
529.22784	0.4
535.28809	8.3
573.25098	1.6
587.27100	0.4
615.29535	0.5
643.33331	0.6
657.34869	0.8
795.45093	100.0
796.45325	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	795.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.6
58.92754	0.7
61.02930	5.1
61.93526	0.6
67.05516	5.8
69.03426	2.8
69.07080	3.0
70.06590	1.8
71.05002	4.0
71.52954	0.9
72.32394	0.7
73.02917	4.0
79.05508	3.9
81.03415	2.2
81.07064	6.3
83.08643	1.3
85.02908	4.8
91.03965	2.3
91.05478	4.1
93.07050	4.2
95.08610	2.1
97.02895	5.2
97.06546	1.4
101.02386	1.1
103.03958	1.0
105.07042	2.0
107.08620	2.1
109.06448	0.7
109.10175	1.3
117.07015	1.1
119.08596	1.5
121.10165	1.4
123.11731	0.7
124.15720	0.7
125.09714	0.8
127.03938	1.3
131.08630	1.3
133.10130	3.2
135.11728	1.1
149.09708	0.8
151.11156	1.5
214.06052	0.7
243.08394	3.7
257.17569	1.1
267.15668	1.1
276.57614	0.6
333.20465	2.3
439.19443	1.0
453.21103	1.6
485.23627	8.8
551.28131	5.3
795.44977	100.0
796.45508	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	795.414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73564	0.3
57.03435	2.3
61.02932	4.2
65.03932	0.6
67.05511	4.0
69.03444	3.1
69.07066	1.7
71.01347	0.6
71.04996	1.8
71.53257	0.5
73.02921	3.1
76.51606	0.4
79.05489	4.0
81.03426	4.0
81.07066	3.5
81.70789	0.4
83.04987	1.4
83.08631	1.5
85.02911	5.4
91.03958	2.7
91.05480	3.1
93.07042	3.3
95.04990	2.1
95.08601	1.8
97.02898	3.2
97.06528	3.2
99.04453	0.5
99.08123	0.6
101.02394	1.4
101.27863	0.4
103.03989	0.5
105.07029	3.1
107.04984	0.7
107.08619	1.8
109.02903	1.1
109.06541	0.8
109.10153	0.8
111.08086	0.6
117.07059	0.6
119.08609	1.5
121.10158	1.1
123.08067	0.4
127.03928	0.9
129.07071	1.1
131.08606	1.0
133.10190	1.4
135.07996	0.3
135.11726	0.6
137.05783	0.5
139.03917	0.5
147.11732	1.4
149.09642	0.5
157.10190	0.8
157.71695	0.5
163.89673	0.4
174.98969	0.4
184.07326	0.5
185.04381	0.6
193.12347	1.5
203.05348	0.6
243.08456	2.3
251.12703	1.1
267.15790	0.4
273.18390	0.4
282.94656	0.4
307.15213	0.5
313.09137	0.4
319.18924	0.5
349.19882	6.4
405.22189	0.5
436.27985	0.9
439.19690	1.1
453.21191	1.2
469.20490	9.0
567.27771	4.2
579.68378	0.5
795.41376	100.0
796.41663	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	793.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.4
59.04997	0.8
61.02929	3.6
64.84838	0.6
67.05516	4.3
69.03436	2.3
69.07060	2.9
71.04996	1.9
71.53416	1.1
73.02924	3.0
78.75092	0.5
79.05495	4.3
81.03421	4.3
81.07053	6.4
82.07397	0.9
83.04996	0.7
83.08638	0.9
85.02918	2.7
85.06558	0.6
87.04480	0.9
91.03980	1.9
91.05486	4.7
93.07050	4.3
95.04966	1.8
95.08601	2.9
97.02894	3.2
97.06532	0.8
101.02388	1.9
105.07054	4.4
105.84509	0.7
107.04993	1.0
107.08604	2.1
109.10191	0.7
111.08090	1.1
117.06998	1.1
119.08575	2.9
121.06552	0.6
121.10195	2.6
123.84722	0.6
127.03950	0.8
129.07008	1.4
131.08621	2.0
133.10162	2.5
135.08061	0.7
145.10173	1.4
147.11781	1.4
149.09683	2.1
157.10144	0.8
167.10800	0.7
175.11186	0.7
184.07375	0.7
193.12323	1.6
225.14798	0.7
243.08580	2.5
253.14397	0.8
267.16034	0.8
275.20200	0.7
283.15125	3.1
315.19296	3.7
339.17941	0.9
371.22052	1.1
443.06650	0.6
501.23083	9.3
533.27161	10.8
582.55042	0.6
631.38855	0.7
793.43481	100.0
794.43774	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	792.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.6
55.05514	18.9
57.03442	12.8
57.07080	3.2
58.87451	0.5
61.02917	2.5
65.03952	3.4
65.19987	0.5
65.94707	0.5
66.89192	0.6
67.05508	71.4
69.03429	1.4
69.07073	17.9
71.04979	2.3
71.08612	1.2
71.49706	0.7
73.02916	1.4
73.66037	0.5
73.99187	0.5
77.03947	0.8
79.05497	42.8
81.03418	1.3
81.07061	70.9
83.04983	1.9
83.08624	8.9
85.02922	3.4
85.06531	2.1
91.03954	1.3
91.05486	28.0
93.07048	55.3
95.04979	3.6
95.08612	55.4
97.02883	2.2
97.06535	3.0
97.10188	2.9
99.08087	1.2
105.04497	1.8
105.07039	21.1
107.08601	27.3
109.06523	1.8
109.10163	24.8
109.10706	0.4
111.08090	1.6
111.11739	0.7
115.05503	0.6
117.07009	8.9
119.08593	17.9
119.73067	0.6
121.10153	21.8
123.08069	1.8
123.11703	9.3
125.09669	1.0
129.07004	2.4
131.08562	13.3
133.09140	0.7
133.10139	13.3
135.08064	0.7
135.11696	16.4
137.09650	1.4
137.13242	2.2
139.11230	0.9
143.08569	1.9
145.09041	1.1
145.10120	10.8
147.11696	12.6
149.09514	0.7
149.13274	9.2
151.11201	0.6
151.14845	0.6
153.12906	0.6
155.28471	0.6
155.39438	0.5
157.10146	1.6
159.11685	9.8
161.13260	7.7
163.11180	1.0
163.14827	5.7
165.62993	0.5
169.10114	0.7
171.11673	1.8
173.13264	7.9
175.14828	4.0
177.12691	0.7
177.16438	2.0
183.11705	0.6
185.13246	2.4
187.14827	3.7
189.16400	0.7
191.88724	0.6
199.14822	1.9
201.16435	2.1
203.18047	1.3
213.16550	0.8
215.17949	1.2
217.19472	0.7
227.18149	0.7
231.21088	0.7
233.22662	0.6
241.19620	3.8
243.21071	5.2
259.20560	8.0
261.22162	18.7
263.23721	1.9
287.23642	0.8
317.24823	3.7
327.27097	0.7
333.24188	6.7
335.25812	100.0
336.26108	1.5
337.27347	10.2
399.32785	0.6
489.36469	0.9
521.43488	2.3
539.44470	0.7
543.40479	1.0
557.41510	0.8
595.47205	14.8
613.38928	1.1
613.48248	14.2
790.81042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.5
55.05276	2.2
55.05516	29.7
57.03189	1.7
57.03440	19.1
57.07074	2.0
58.18107	1.0
61.02945	2.5
64.36145	1.0
65.03925	4.4
67.05506	68.2
69.03416	5.2
69.07069	26.4
71.01336	1.3
71.04995	8.4
73.02929	1.2
79.05498	48.9
81.03419	68.8
81.07060	95.5
83.04978	17.2
83.08624	36.3
85.02905	24.9
85.06538	5.0
87.66325	1.2
90.31825	1.2
91.04907	1.7
91.05486	54.0
93.07047	56.3
93.07638	2.9
95.04977	30.0
95.08607	29.1
95.27604	1.1
97.02899	6.8
97.06533	11.4
97.10181	9.6
99.08090	3.3
105.04510	1.3
105.07034	44.3
107.04960	13.9
107.08598	31.5
109.02858	1.3
109.06531	15.7
109.10159	10.4
111.04464	3.0
111.08077	16.0
113.06026	2.9
115.05435	1.6
117.07021	12.3
119.08585	33.6
121.06512	5.0
121.10144	21.1
123.08102	5.8
123.11713	8.1
125.09624	5.3
127.07518	1.4
129.07007	14.9
131.08571	23.6
133.06494	3.9
133.10139	26.9
135.08060	4.6
135.11697	9.1
137.09599	4.8
139.11154	1.4
141.06993	1.8
142.07774	3.3
143.08546	3.0
145.10143	11.4
147.08063	4.9
147.11694	25.6
149.09612	12.3
149.13252	13.2
151.11162	3.4
155.08536	3.0
157.10147	17.0
159.08089	1.4
159.11719	10.2
161.09671	2.1
161.13255	3.3
163.11180	6.5
165.12752	5.3
169.10049	2.0
171.11656	1.9
173.09538	1.3
173.13258	4.4
175.11194	15.2
177.12715	3.4
182.83717	1.2
183.11662	2.7
187.11241	1.8
189.11145	1.5
193.12245	44.2
195.13815	4.5
197.13255	1.5
211.13295	45.5
211.15289	2.5
215.17961	1.6
227.12796	4.1
229.14337	2.8
229.19543	1.7
238.19846	1.2
239.17853	1.6
243.94891	1.5
247.20601	2.1
248.51665	1.2
249.14714	1.4
257.18964	6.7
267.15909	31.9
269.17496	29.9
275.20062	34.6
276.20215	1.2
285.16971	57.1
293.21088	5.2
331.22583	1.5
349.23740	25.7
367.24835	13.3
369.24652	1.2
376.93896	1.3
413.21710	1.7
439.27094	2.7
443.27615	2.1
461.28958	40.3
467.31427	2.4
479.30078	100.0
480.30240	2.8
541.35297	24.8
559.36304	54.4
577.37427	24.2
623.34076	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	792.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.6
55.05273	2.8
55.05512	34.7
56.05800	1.7
57.03437	20.0
59.61125	1.5
59.82826	1.3
60.08155	2.9
60.25751	1.4
61.02927	3.1
65.03928	3.0
67.05506	70.7
69.03427	9.3
69.06728	2.5
69.07070	35.3
69.29045	12.8
71.04995	7.8
71.07357	1.7
73.02888	2.6
79.05494	64.2
80.05789	1.6
81.03419	99.3
81.07056	78.3
82.07369	1.7
83.04975	16.0
83.08620	34.8
85.02902	6.0
85.06534	5.0
86.09727	7.8
91.03955	1.7
91.05486	64.6
93.06485	3.1
93.07050	58.1
95.04967	37.7
95.08611	31.1
97.02895	5.7
97.06528	13.0
97.10175	19.4
99.04485	1.7
99.08095	2.4
103.05472	3.0
105.07032	50.8
107.04964	15.9
107.08598	41.3
109.02847	2.9
109.06503	13.2
109.10149	14.8
111.04422	3.8
111.08087	11.5
113.06000	2.3
115.05468	3.7
116.06170	1.6
117.07018	19.5
118.97427	1.5
119.04972	2.1
119.08582	35.9
121.06512	9.3
121.10144	25.1
123.08062	7.5
123.11687	4.3
125.00012	5.4
125.09631	12.2
127.03869	1.8
128.06258	2.4
129.07005	17.0
131.04893	2.0
131.08563	30.8
133.06505	5.7
133.10143	23.7
135.08038	6.7
135.11687	14.0
137.09612	5.1
139.11122	3.7
141.06985	2.9
142.07780	5.1
143.08578	8.8
145.06477	5.3
145.10106	15.5
147.08025	5.6
147.11688	20.0
149.09622	17.7
149.13257	10.4
151.11163	3.6
155.08537	4.2
157.10136	15.8
159.11693	13.0
161.09613	3.9
161.13249	3.2
163.11162	9.4
165.12720	1.9
167.08572	2.1
169.10130	3.3
171.10219	2.0
171.11697	5.8
173.13258	5.4
175.06477	1.8
175.11186	11.2
175.14732	1.7
177.12714	4.1
179.14360	2.3
183.11696	2.9
184.07346	20.5
185.13324	2.0
187.11191	2.3
189.11194	7.5
189.12711	2.6
193.12254	26.9
195.13824	3.7
197.13306	3.0
199.14940	2.1
201.12689	1.7
211.13283	6.9
217.15906	4.2
223.13148	2.1
227.12753	18.2
229.14290	5.2
245.13811	3.2
247.20558	2.6
249.14917	2.7
255.15808	12.0
257.19009	4.0
260.55457	1.5
267.15927	93.9
269.17456	28.3
270.37872	1.6
273.15317	1.8
273.18433	3.6
275.20096	22.8
285.16940	8.7
293.20895	3.0
299.19971	2.8
301.14496	2.5
349.23721	24.1
351.23102	1.8
367.24719	6.9
369.24094	3.2
387.24973	1.9
419.24588	2.1
421.25616	4.5
435.27026	2.6
437.25146	5.0
443.28183	7.4
447.27478	29.3
449.30350	3.6
459.27362	2.6
461.28989	100.0
462.29111	2.4
465.28558	3.5
467.31351	3.6
479.30118	17.2
485.32678	1.9
497.30670	1.7
501.31387	3.0
523.34094	4.1
541.27051	3.2
541.35266	61.4
542.35400	2.6
559.36322	43.8
560.36511	2.1
569.30530	2.3
577.36975	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	792.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
55.05513	1.8
57.03438	1.7
59.05017	0.4
61.02932	3.6
67.05517	5.0
68.05040	1.9
69.03433	2.4
69.07072	1.2
70.06600	79.1
70.65263	0.4
71.01346	0.5
71.05013	2.1
71.06955	0.5
71.54102	0.5
73.02937	1.8
79.05500	4.6
80.05007	0.4
81.03427	13.6
81.07072	4.9
82.06602	1.1
83.04996	2.3
83.07375	0.6
83.08630	1.9
85.02921	3.3
85.06524	0.7
86.06081	0.6
91.03989	1.9
91.05492	4.5
93.07041	5.6
95.04988	3.9
95.08605	2.4
96.08157	0.6
97.02895	3.3
97.03384	0.3
97.06541	1.4
97.10187	0.4
98.06062	0.4
98.09715	0.7
99.04502	1.0
100.07652	0.7
101.02402	0.8
105.07043	3.3
106.06571	0.6
107.04976	1.9
107.08604	2.7
108.38634	0.4
109.02866	0.5
109.06537	0.9
109.10149	0.9
111.04466	3.2
111.08099	1.8
117.07062	1.1
119.08608	3.3
121.06556	0.5
121.10143	4.9
123.04431	0.4
123.08131	0.5
124.07616	0.6
125.05987	0.5
127.03976	0.7
129.07036	1.3
131.08618	2.3
133.06506	0.5
133.10158	1.4
135.11725	3.1
140.07100	1.6
142.07729	0.5
142.08687	5.4
147.08116	0.4
147.11754	1.7
149.09642	2.1
153.12807	1.6
157.10159	1.1
163.11183	3.7
173.09653	0.7
175.11221	0.9
181.12259	2.2
191.10701	1.4
193.12218	2.7
209.11877	0.6
210.14900	0.5
226.18095	0.7
227.12837	2.3
234.18517	0.4
236.16473	5.3
254.17523	8.9
261.40961	0.5
267.15964	4.7
278.17703	1.4
296.18588	9.3
296.21817	0.7
310.20181	0.5
314.19659	10.9
328.21252	3.6
370.22186	6.4
388.23328	12.2
390.21530	0.4
520.32727	5.5
562.33923	4.3
580.34906	100.0
581.35193	3.5
602.78192	0.4
612.37939	0.6
630.38983	0.5
742.40131	70.1
743.40472	2.3
774.42865	2.1
792.43396	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	790.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.6
55.05516	19.5
57.03442	8.7
57.07073	1.5
59.05003	1.8
60.02229	0.8
61.02921	2.7
65.03942	2.5
67.05511	68.6
69.03444	6.1
69.07076	26.1
69.07458	1.0
70.03170	3.7
71.01363	1.1
71.04998	30.9
73.02911	1.7
77.03917	0.9
79.05498	38.7
81.03429	12.7
81.07064	100.0
82.03746	1.1
82.07369	0.9
83.04988	9.7
83.08150	1.2
83.08624	13.9
85.02915	6.2
85.06550	7.3
87.04477	1.1
91.03938	1.0
91.05489	44.0
93.07050	41.2
95.04992	8.9
95.08616	25.1
97.02902	4.8
97.06545	13.6
97.10176	7.2
98.20830	1.0
99.04448	1.7
99.08086	3.1
105.04510	0.9
105.07037	29.9
106.07411	1.5
107.04977	5.3
107.08599	30.4
109.02879	1.3
109.06514	4.8
109.10162	13.5
111.04432	1.7
111.08086	5.2
113.09664	1.9
115.05447	1.7
115.07571	0.9
117.07014	12.0
119.08595	13.6
121.06509	4.5
121.10146	11.8
123.04413	1.3
123.08078	3.5
123.11720	12.1
125.09644	6.3
127.03935	2.9
129.07004	3.6
131.08580	15.5
133.10135	27.0
134.10507	1.0
135.08054	2.9
135.11696	11.8
137.09586	2.0
139.11279	1.0
141.06938	1.3
143.08549	2.6
143.10713	0.9
145.10135	9.1
147.08047	1.5
147.11707	7.9
149.09644	8.6
149.13266	9.9
151.11198	10.6
155.08519	2.4
157.10126	3.0
159.11703	12.5
161.09691	1.4
161.13295	3.2
163.11229	4.8
169.10164	2.4
169.12299	1.8
171.11690	2.7
173.04498	1.7
173.11897	1.2
173.13297	2.0
175.11188	1.7
175.14859	1.2
177.12791	5.1
179.14307	2.2
181.12163	1.2
183.11703	2.0
183.13731	4.1
185.13174	1.7
187.13307	4.4
187.14755	1.1
189.11232	3.7
193.12321	1.4
195.13904	4.0
197.13231	1.4
201.14894	1.1
213.14680	1.1
225.14832	2.3
227.12799	13.5
229.14407	1.1
229.19597	1.1
239.18002	1.5
240.24660	0.9
243.15953	2.7
251.16508	1.2
253.18004	1.9
257.19244	2.0
267.15894	4.0
268.16168	1.8
269.17484	12.6
275.20071	16.7
276.20410	1.7
293.21201	1.6
301.20071	22.2
331.22736	1.9
349.23767	14.4
350.24176	1.5
351.24835	0.8
367.24817	1.7
397.25601	1.7
419.28583	1.0
421.29346	1.8
423.27451	6.0
427.26962	4.5
437.29092	17.4
445.29614	2.6
449.29022	15.4
451.30807	5.9
455.30069	2.1
463.30554	14.5
477.32526	1.2
481.31686	5.2
495.33362	30.8
499.34430	5.7
503.32727	1.1
517.35272	41.0
518.35150	1.0
525.35669	2.2
531.36945	4.8
535.35944	2.1
541.34979	2.8
542.35126	3.9
543.36609	31.5
549.37823	1.2
561.37549	2.3
575.39490	22.1
581.33398	1.2
593.39819	3.9
607.34637	3.5
639.36609	1.1
790.49402	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.1
55.05272	1.2
55.05515	17.2
57.03222	1.0
57.03440	9.6
57.07076	2.8
59.04998	1.3
61.02934	1.3
65.03934	3.3
67.05509	43.3
69.03432	3.4
69.07072	15.0
71.01344	1.2
71.04990	7.7
73.02955	1.2
79.05497	41.2
81.03424	37.2
81.07059	39.2
83.04993	5.6
83.08622	16.5
85.02908	2.1
85.06543	3.5
90.81042	0.9
91.03995	1.3
91.05489	41.8
93.07049	42.0
95.04974	15.7
95.08614	24.9
97.02897	2.2
97.06548	5.5
97.10170	9.1
99.08102	2.4
105.07039	37.4
107.04966	5.4
107.08596	24.9
107.41795	1.1
109.06538	4.5
109.10169	11.7
111.04414	1.2
111.08084	4.2
115.05453	2.4
117.07021	15.6
117.08354	1.1
119.08598	33.3
121.06510	2.5
121.10148	18.0
123.08077	4.3
123.11717	3.5
125.09626	8.6
128.06274	3.2
129.07024	14.7
131.08577	23.5
133.06461	2.0
133.10135	21.8
133.71172	0.9
135.08080	3.5
135.11674	8.2
137.09674	1.5
139.11174	2.0
141.07018	2.5
142.07770	3.6
143.08559	11.4
145.06541	1.4
145.10139	15.5
147.08043	3.3
147.11696	16.1
149.09634	5.9
149.13292	5.8
151.11177	2.8
153.06973	1.2
153.09096	1.2
155.08575	6.5
157.10136	14.4
159.08124	2.2
159.11696	14.2
161.09612	2.5
161.13257	8.1
163.11194	3.2
165.12741	2.1
167.08604	2.5
169.10126	7.2
169.65549	1.1
171.11661	9.9
173.09602	2.1
173.13222	6.8
175.11234	4.4
175.14874	3.1
177.12724	3.1
181.10170	3.8
183.11746	6.8
185.09653	1.3
185.13252	7.7
187.13304	1.3
187.14825	3.9
189.11267	3.7
189.12830	1.3
189.16544	1.3
193.10422	1.3
193.12265	7.0
195.11732	4.1
197.13283	3.6
199.11275	1.3
199.14861	3.2
205.12357	1.1
207.13666	1.2
209.13255	2.2
211.14871	1.6
213.16495	2.4
215.17924	1.1
217.15883	1.3
221.13269	1.5
227.12714	7.3
229.14241	2.2
232.30695	1.3
235.17018	1.5
241.19554	4.8
259.20590	13.8
265.19760	1.7
267.15921	14.6
275.20273	2.0
283.20206	1.5
297.22241	1.4
299.23721	4.9
301.21127	1.0
321.21896	1.8
333.24319	9.0
349.23804	1.9
353.24817	1.1
357.24219	1.2
403.24786	1.7
415.29868	2.0
417.26337	2.2
421.25955	7.0
423.27213	2.2
433.30984	8.6
435.27469	5.4
447.27249	1.7
451.32089	9.5
461.28952	1.3
462.34946	1.2
469.33133	4.4
474.26935	1.3
477.28836	1.1
489.33508	1.4
499.34430	1.7
507.34546	3.8
515.37000	1.6
517.35168	5.4
525.35791	49.2
526.36053	1.7
527.47852	1.2
539.36987	1.4
543.36853	100.0
544.37091	4.0
555.35895	1.3
557.38416	9.6
575.39520	14.8
585.38354	1.4
687.40723	2.0
705.41095	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
55.05516	36.8
57.03444	20.3
57.07081	2.6
59.05008	35.0
61.02639	1.1
61.02923	2.8
65.03944	2.7
67.05510	100.0
69.03421	5.9
69.07079	16.0
71.01363	1.3
71.05003	12.9
71.08620	1.3
79.05501	48.8
80.05838	1.3
81.03429	6.7
81.06595	2.9
81.07067	57.7
83.04987	6.7
83.08625	15.8
85.02911	6.3
85.06554	3.7
87.04476	48.3
89.06043	1.6
91.05488	23.1
93.06487	2.8
93.07051	45.5
93.14903	1.2
95.04957	5.9
95.08616	37.5
97.02898	3.0
97.06530	3.6
97.10181	18.4
99.04470	16.4
99.08125	1.9
100.23486	1.2
105.07044	14.5
107.04952	3.3
107.08603	27.7
109.06516	2.1
109.10168	50.5
111.04432	2.8
111.08077	4.0
117.07054	6.8
117.85773	1.3
119.08596	18.2
121.06551	1.4
121.10159	20.5
123.08113	2.0
123.11707	2.7
125.09651	14.9
129.05484	1.5
129.06975	2.4
131.08585	10.6
133.08627	1.8
133.10146	8.3
135.11685	12.3
137.09616	3.1
137.13290	2.1
143.08545	1.8
145.10156	10.3
147.11702	6.4
149.09650	3.1
149.13271	6.0
153.12769	2.1
155.10698	3.6
157.10074	1.8
159.11685	6.1
161.13310	5.1
163.11212	4.8
166.96558	1.4
171.11638	1.5
173.11734	11.6
173.13254	3.6
184.07387	1.9
187.14827	2.2
189.11211	1.6
191.10689	2.3
193.12312	3.1
198.01704	1.3
198.12740	1.6
199.13339	11.3
217.14339	1.5
219.31053	1.4
227.12648	6.0
229.14388	38.8
241.14285	4.2
243.21074	2.3
257.13776	1.6
259.20441	1.6
261.22174	11.5
267.15863	7.1
283.15271	2.6
315.17957	8.6
317.24576	3.2
333.19019	3.0
333.24460	2.2
335.25830	57.7
336.26135	2.9
351.25052	1.4
363.25208	4.8
451.32089	2.0
459.34735	2.1
477.30130	0.8
477.35886	18.9
489.35797	43.6
490.35898	1.7
517.35474	2.5
535.35999	1.4
543.36700	3.9
545.38306	1.6
561.38135	2.2
575.39221	2.7
593.40375	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.7
55.05275	2.1
55.05515	28.7
57.03439	19.2
57.07066	4.1
59.04718	2.0
59.05004	35.3
61.02926	3.0
62.99933	1.6
65.03941	4.3
67.05511	100.0
69.03421	5.6
69.07082	14.6
70.66367	1.5
71.04996	11.5
79.05495	40.0
81.03436	11.0
81.06589	2.8
81.07061	51.3
83.04974	5.1
83.08626	17.9
85.02895	6.1
85.06547	4.2
87.04472	45.0
91.05487	23.1
92.05787	1.9
93.07050	40.1
94.07369	2.6
95.04950	7.1
95.08611	38.0
97.02890	2.9
97.06528	4.8
97.10174	15.0
99.04456	14.5
105.07040	15.4
107.04958	2.5
107.08595	26.8
109.06516	2.6
109.10166	54.7
111.04442	3.6
111.08080	4.7
117.07020	7.2
119.08594	19.0
121.10149	16.0
123.11693	5.3
125.09628	10.4
127.03833	2.1
129.07030	4.9
131.08548	10.4
133.10104	11.8
135.11719	11.7
137.09668	2.2
143.08481	1.7
145.10159	9.7
147.11636	8.9
149.09631	3.7
149.13257	5.4
149.92731	1.6
155.08484	2.0
155.10663	2.4
157.10155	3.0
159.11693	6.5
161.13258	5.3
163.11185	3.3
163.14789	2.9
173.04457	1.7
173.11736	15.7
173.13275	4.2
175.11205	2.9
184.07332	3.6
189.11208	1.9
191.10660	1.9
193.12337	3.6
199.11615	2.2
199.13263	9.6
212.99280	1.5
227.12811	5.1
229.14360	42.7
241.14293	3.6
243.21146	4.6
257.13809	4.6
261.22241	12.1
267.15964	8.3
268.16351	2.9
268.85944	1.8
275.20053	1.9
315.17938	7.2
335.25812	55.9
336.26114	4.0
351.25311	2.2
363.25378	2.2
459.34494	2.0
477.35794	18.9
489.28995	2.6
489.35800	49.1
517.35101	1.9
525.34857	1.9
529.38770	2.6
543.36884	3.2
575.39008	4.8
610.44708	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	790.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	10.4
55.05268	2.4
55.05517	35.1
57.03440	35.9
58.60251	1.4
61.02924	7.1
62.18357	1.3
62.79039	1.5
65.03935	4.7
67.05508	77.5
68.14838	1.3
69.03439	16.8
69.07072	59.9
70.71611	2.2
70.71943	2.5
71.05000	28.7
73.02905	7.9
77.03933	2.0
79.05497	78.5
81.03423	82.7
81.07063	80.6
83.04983	28.2
83.08150	2.2
83.08623	31.0
85.02428	1.4
85.02908	32.8
85.06538	6.2
91.03949	3.4
91.05486	79.8
93.07050	66.2
93.07644	3.3
95.04978	40.4
95.08067	2.2
95.08617	33.5
97.02890	15.5
97.06536	100.0
97.10170	7.4
99.04462	4.5
99.08091	10.5
101.05994	1.7
103.05464	4.8
105.04521	4.0
105.07037	56.9
105.69547	1.7
107.04967	21.4
107.08607	33.4
109.02884	5.8
109.06528	23.9
109.10149	12.8
111.04449	5.2
111.08101	21.5
113.06003	6.4
115.05453	4.0
115.07578	29.4
117.07034	19.4
119.04987	2.4
119.08583	39.6
121.06501	9.7
121.10140	21.5
123.04412	2.5
123.08090	9.8
123.11708	4.4
125.09619	6.1
127.03928	9.2
127.07567	4.6
128.06223	4.8
129.05501	2.7
129.07014	23.6
130.01520	1.8
130.07814	1.9
131.07060	2.2
131.08578	36.4
133.06516	9.7
133.10144	30.0
135.08061	15.2
135.11691	11.7
137.09644	4.0
139.07518	2.1
141.07010	4.3
142.07773	4.6
143.08600	12.0
145.04890	1.5
145.06523	2.2
145.10124	15.9
147.08070	8.8
147.11696	24.5
149.09637	12.5
149.13242	10.2
151.11212	4.9
153.09103	1.7
155.08508	2.8
157.10129	26.3
159.08034	3.2
159.11682	12.1
161.09628	8.0
161.13252	2.3
163.07613	2.6
163.11194	6.0
165.09128	2.1
165.12744	4.0
167.08565	1.8
169.10127	3.3
171.11742	5.4
173.04489	7.8
173.09726	3.2
173.13251	2.0
175.11186	20.2
177.12718	8.0
181.10338	1.8
181.12225	2.2
183.11740	2.6
185.09692	4.3
185.13225	4.5
187.11136	1.6
189.11206	2.7
189.12732	3.4
191.10612	2.1
193.12262	59.2
195.11809	2.3
195.13794	6.0
197.13348	2.9
199.11029	1.8
199.14844	4.4
201.07509	2.6
201.12634	2.3
203.14403	2.8
205.12387	1.6
211.13293	73.8
217.15878	13.4
219.13927	2.6
221.15247	4.1
223.13263	1.8
227.12785	7.1
227.17999	2.0
233.15343	3.4
237.16496	3.1
245.19031	6.2
249.15027	2.7
253.14359	4.3
255.17340	4.4
259.52441	1.7
263.20062	2.6
267.15930	28.0
269.17471	29.0
273.18524	42.2
275.20068	2.4
283.15506	3.0
285.16986	72.9
291.19571	28.2
307.19070	5.3
309.20953	1.6
328.55771	1.5
347.22189	17.3
365.23181	17.6
383.24078	1.8
443.28113	1.6
447.28607	2.9
461.29013	17.8
465.29031	4.6
479.30075	39.8
483.30798	2.6
499.30389	3.2
505.31705	2.1
517.31207	8.2
525.84149	1.6
539.33832	7.5
557.34802	22.6
575.35822	26.0
593.37018	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	790.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	13.5
55.05513	35.7
57.03439	18.6
57.07073	1.8
59.04993	1.5
60.00591	1.0
61.02925	3.2
65.03941	4.0
67.05508	58.7
69.03435	10.4
69.06731	1.6
69.07072	24.3
71.01347	1.4
71.04994	9.4
71.15161	0.9
73.02908	2.7
78.40690	1.0
79.05497	62.9
81.03421	68.8
81.07059	100.0
83.04984	26.4
83.08624	35.0
83.09119	1.9
85.02908	29.6
85.06552	4.8
89.54703	1.0
91.05486	60.3
93.07047	44.2
93.23330	1.0
95.04976	36.2
95.08609	27.7
95.09069	0.6
97.02905	6.9
97.06531	12.5
97.10176	29.3
99.04455	3.0
99.08089	5.1
105.03379	1.2
105.07037	45.2
107.04964	21.3
107.08598	31.1
109.02893	1.8
109.06522	20.2
109.10153	14.9
111.04457	14.5
111.08091	15.1
113.06008	4.3
115.05461	3.0
115.07568	1.6
117.07026	13.4
119.04961	2.0
119.08587	43.0
119.55747	0.9
121.06520	10.9
121.10150	21.6
123.08075	32.2
123.11692	2.6
125.05998	2.0
125.09637	24.3
127.07602	1.8
128.06201	2.8
129.07011	16.4
131.04912	1.2
131.08582	24.7
133.06483	6.8
133.10130	20.0
135.08087	10.1
135.11703	10.3
137.09627	7.3
139.11179	1.6
141.07019	1.5
142.07779	3.7
142.60342	1.0
143.08597	7.5
145.06493	2.3
145.10120	21.5
147.08049	18.5
147.11693	20.0
149.09622	13.7
149.13283	2.8
151.11150	2.7
153.09125	3.6
153.12752	7.2
155.08577	3.2
157.10133	22.3
159.08060	3.2
159.11667	6.2
161.09612	10.8
161.13194	1.4
163.11208	18.2
165.09099	5.6
165.12712	5.2
167.08542	1.4
169.10153	2.0
171.10292	1.4
171.11694	4.4
173.09653	3.9
173.13283	1.7
175.11186	20.7
177.12737	3.5
181.10648	1.3
181.12230	7.7
183.11574	1.3
184.07430	1.1
185.09627	1.7
185.13319	2.9
187.11171	2.4
189.11235	17.6
189.12750	1.7
191.10689	4.6
193.10460	2.5
193.12247	50.2
195.11702	1.9
199.11272	2.2
199.14832	1.5
205.12193	1.8
207.13820	1.2
209.11716	1.8
211.13298	65.2
211.24971	1.0
213.12854	1.9
217.15765	1.6
221.11874	1.2
223.13322	6.2
227.12794	30.4
227.17957	1.8
229.07379	1.0
229.14371	1.1
237.16618	1.1
245.19041	5.6
249.14902	3.2
255.17522	5.3
263.20087	1.5
267.15942	32.9
269.17413	1.9
273.18509	45.3
283.15497	5.1
285.16974	86.1
286.17389	1.4
291.19550	90.6
292.19910	1.1
309.20609	11.7
313.21713	1.4
315.19696	1.3
329.21124	2.1
347.22202	16.4
353.20825	1.1
365.23242	49.6
383.24344	24.8
387.62784	1.0
400.21317	1.0
437.25186	3.6
447.28271	2.7
455.26340	3.9
459.27338	2.1
461.28918	2.8
465.29846	2.8
477.28952	1.0
479.30106	3.7
483.30835	3.9
493.27689	1.7
495.29623	1.2
499.30676	1.3
501.32053	1.2
511.29193	1.6
517.31885	2.0
521.32867	1.8
529.34937	1.1
539.33740	12.0
557.34766	51.3
558.35089	1.7
575.35815	77.2
576.35657	3.2
593.36908	45.1
594.37274	1.7
741.91449	1.1
790.44037	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.3
55.05514	28.0
57.03439	21.6
57.07067	3.6
59.05000	2.8
61.02925	5.0
62.24548	1.3
65.03923	2.3
66.92847	1.5
67.05508	100.0
67.32938	1.5
69.03426	3.5
69.07071	25.5
71.01360	3.2
71.04987	6.0
71.53912	1.5
73.02914	2.9
79.05071	2.5
79.05499	39.4
81.03437	13.4
81.07061	84.0
81.85995	1.3
83.04985	9.7
83.08625	22.8
85.02916	12.6
85.06540	5.1
87.04470	3.9
91.05491	25.8
91.06032	2.8
93.07049	53.8
95.04962	7.5
95.08614	23.8
97.02892	4.9
97.06543	11.0
97.10176	12.0
99.08080	1.7
105.07027	10.2
107.04975	4.0
107.08601	33.1
109.06512	2.8
109.10162	50.9
111.04439	1.8
111.08084	11.6
117.07005	9.3
118.34460	1.4
119.08595	7.9
121.06472	1.7
121.10152	16.1
123.08069	3.3
123.11715	3.9
125.09618	9.7
127.63147	1.4
129.05499	3.4
129.07022	2.0
131.08609	7.2
133.10127	9.0
135.08078	1.7
135.11700	9.7
137.09618	3.0
145.10100	3.4
147.11661	3.5
149.09613	1.9
149.13271	29.9
153.12738	3.9
155.08583	1.8
155.10695	6.0
159.11697	10.8
163.11198	6.1
173.09633	1.7
173.11761	14.8
177.12775	6.2
181.12245	2.3
191.10646	4.0
193.12247	4.1
195.13779	12.5
199.13312	5.4
209.11739	6.1
211.13254	3.2
213.14787	2.4
227.12776	8.4
229.14354	39.6
264.41412	1.6
265.14331	3.4
267.09052	5.6
267.16052	7.7
269.17499	80.2
283.15405	5.8
285.10184	6.7
301.16409	9.5
324.11441	9.4
324.61664	1.7
393.26175	2.7
399.23785	12.8
411.27100	2.7
423.27444	65.5
424.27390	1.5
459.27408	1.7
461.29233	3.0
463.22742	7.6
477.28571	3.5
478.29214	2.2
495.29520	12.3
513.30737	3.8
593.36877	31.5
624.67908	1.9
720.17596	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	4.3
55.02090	1.2
55.05442	6.8
55.05732	0.9
56.61238	0.5
57.03370	4.1
57.07007	0.6
61.02859	1.1
65.03893	1.2
67.05424	17.6
67.05828	1.8
69.03354	2.3
69.06990	10.6
70.24471	0.5
71.04913	2.1
71.52454	0.6
73.02840	1.1
73.94012	0.5
74.54928	0.5
75.86464	0.5
79.05408	14.6
81.03334	25.8
81.03857	1.6
81.06973	22.3
81.07502	1.5
83.04977	3.4
83.08537	8.3
85.02810	2.0
85.06475	1.0
91.05486	23.8
92.04929	0.8
92.05749	0.6
93.07048	15.5
93.07584	0.8
95.01321	2.5
95.04969	10.4
95.08608	11.1
97.02792	2.3
97.06531	8.0
97.10086	2.3
99.07992	1.1
103.05366	0.7
105.04429	0.7
105.07035	30.9
105.07683	1.4
107.04960	7.1
107.08586	7.5
109.06416	2.9
109.10151	4.8
111.04385	1.2
111.08073	3.3
111.10134	0.6
113.05920	0.6
113.09563	1.0
115.05393	1.0
117.07021	5.2
118.06557	4.4
119.08586	19.8
121.06415	2.0
121.10135	6.9
123.04359	1.1
123.07990	1.5
123.11634	1.1
125.09499	1.5
128.06146	0.9
129.07010	3.7
131.08568	12.2
133.06448	1.2
133.10143	16.9
134.10376	0.7
135.07948	1.5
135.11699	3.6
137.09489	1.7
141.06956	0.6
142.07730	1.3
143.08429	2.1
145.06395	0.9
145.10130	6.9
147.07964	1.1
147.11699	8.2
148.11931	0.6
149.09618	4.2
149.13141	2.2
151.11160	1.3
155.08459	0.9
157.10136	5.0
159.07930	0.8
159.11705	4.9
161.09497	1.1
161.13280	3.1
162.09161	3.0
163.09843	0.9
163.11087	2.7
165.12703	1.1
169.10005	1.3
171.11572	1.7
172.12038	0.6
173.13173	2.0
175.11226	2.7
177.12659	1.4
179.14316	3.9
181.10020	0.7
183.11578	1.8
184.07199	0.6
185.13193	1.2
187.11087	1.5
187.14761	1.0
193.12250	6.8
195.13681	0.9
195.49489	0.5
202.15948	0.8
205.12025	0.6
211.13132	2.0
219.17400	2.1
223.13109	0.6
230.15410	6.3
233.18956	0.5
239.18077	0.6
247.20447	0.9
257.18845	2.2
259.20639	0.8
260.21121	0.5
264.73138	0.5
267.15918	29.0
269.17435	1.0
275.20090	21.4
276.20285	0.7
285.16965	2.6
292.19061	15.3
293.21133	1.1
349.23703	16.1
381.26312	0.8
479.30219	1.3
510.27121	1.6
514.36261	1.0
541.35272	100.0
542.35822	3.7
545.37561	1.0
559.36267	6.1
573.37653	0.8
577.37543	0.8
583.36646	1.2
591.38812	2.4
608.44128	2.1
626.45020	3.9
649.37170	0.7
775.63123	0.6
788.49475	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	787.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	15.4
55.05518	39.9
57.03443	14.9
57.07064	3.6
60.35199	2.7
61.02927	15.5
65.03940	5.1
67.05185	5.3
67.05515	69.8
69.03449	12.9
69.07075	35.4
69.12328	2.4
70.33795	2.3
71.04980	8.7
71.52579	3.3
73.02908	9.7
79.05067	4.6
79.05498	56.2
79.19466	2.6
81.03421	19.6
81.07063	71.4
83.04987	9.8
83.08620	19.7
85.02916	17.0
85.06531	4.3
91.03951	3.0
91.05496	55.2
93.07051	57.4
95.04973	9.7
95.08608	46.7
97.02895	15.7
97.06543	18.5
97.10157	13.6
99.04490	4.4
99.08090	3.7
103.05392	2.8
103.19121	3.0
105.07039	48.6
107.04954	7.7
107.08610	35.2
109.02843	5.2
109.06519	8.1
109.10171	28.7
111.04422	3.1
111.08083	5.6
115.05476	5.3
117.07034	25.1
119.08591	40.7
121.06506	3.7
121.10165	24.2
123.08054	7.5
123.11678	7.8
125.09621	9.3
127.03925	4.4
128.06219	7.7
129.05478	3.5
129.07016	20.4
130.07826	3.8
131.08597	38.7
133.10133	28.8
135.08087	6.3
135.11688	14.2
137.09669	6.2
139.11159	3.0
141.07011	10.2
142.07779	5.5
143.08565	28.4
145.06531	2.9
145.10130	33.5
147.11711	18.7
149.02325	3.7
149.09622	11.1
149.13208	5.6
151.11252	3.4
153.06981	3.9
155.08534	15.3
157.10112	23.3
159.11693	25.2
161.13263	11.9
163.11211	7.8
167.08597	8.4
169.10162	20.3
171.11684	20.6
173.04530	5.0
173.13290	9.5
175.11177	4.4
175.14861	6.2
179.08534	5.0
180.09317	3.3
181.10164	13.3
183.11647	21.4
185.09663	4.2
185.13232	19.4
187.11224	3.4
187.14832	6.5
189.12787	2.8
193.10194	7.5
195.11696	9.6
197.13264	11.9
199.14848	10.0
201.16478	3.3
206.11087	2.7
207.11661	5.8
209.13264	8.1
211.14879	7.2
213.16554	4.7
221.13231	4.8
223.14888	6.3
225.16414	4.6
227.12746	3.4
227.18021	4.5
227.20062	7.3
228.20480	3.1
233.67911	2.7
237.16396	3.8
241.19574	6.7
249.16507	3.2
257.19168	5.0
259.20569	11.0
263.18198	3.5
273.18491	5.9
275.20078	18.6
283.20453	2.5
286.74396	2.6
301.21707	3.9
315.23068	3.7
333.24301	8.1
335.26001	6.7
349.23895	7.7
365.28384	3.9
377.28613	3.0
379.30087	3.4
407.29260	3.4
413.10452	3.2
421.30936	5.7
439.32330	4.7
445.30835	4.4
513.35767	30.2
515.38263	3.8
527.37372	8.9
537.36328	3.1
551.40961	6.4
607.43597	68.1
625.44666	100.0
626.44727	5.4
649.43817	4.1
715.46472	3.3
733.46362	6.1
751.47632	4.4
769.48730	14.7
787.50092	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	787.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	13.6
55.05274	3.3
55.05516	40.3
57.03445	13.7
57.07057	2.2
61.02914	9.3
65.03931	3.1
65.51266	2.2
67.05510	81.8
69.03434	20.8
69.06744	2.3
69.07075	35.6
69.28773	18.7
71.04974	9.5
71.08616	2.3
71.68456	2.2
73.02916	6.3
73.78396	2.3
79.05496	63.4
81.03423	33.3
81.06595	5.2
81.07063	82.5
83.04971	9.8
83.08609	18.9
84.52475	2.1
85.02911	17.3
85.06535	4.0
91.04911	3.4
91.05486	58.2
93.06492	3.1
93.07053	60.8
95.04986	11.8
95.08061	4.1
95.08613	51.0
97.02905	14.1
97.06535	16.1
97.10183	15.6
99.04464	7.1
99.08108	2.3
105.04487	2.6
105.07037	52.6
107.04956	10.4
107.08600	39.4
109.02869	6.7
109.06516	7.2
109.10162	24.3
111.04416	2.9
111.08057	7.2
114.55123	2.2
115.05442	5.5
117.07032	24.7
119.08583	40.2
121.06509	5.5
121.10154	24.3
122.10490	2.2
123.08062	7.1
123.11732	7.4
125.09631	8.9
127.03928	5.5
128.06210	6.4
129.05505	2.9
129.06998	17.6
129.49495	2.1
131.08578	29.8
133.06508	3.8
133.10126	31.1
134.10594	2.4
135.08047	5.3
135.10887	1.9
135.11707	16.9
137.09637	4.1
141.06964	7.0
142.07811	3.8
143.08566	22.1
145.10130	32.4
147.08043	3.7
147.10829	2.2
147.11723	21.5
149.09624	7.0
149.13223	5.1
151.11185	3.9
153.06950	2.7
155.08498	12.2
157.10133	22.4
158.10524	3.1
159.11722	26.2
161.09598	3.6
161.13271	14.2
163.11168	6.4
163.14798	5.0
165.06975	4.4
167.08539	9.6
168.09340	3.1
169.10152	21.2
171.11676	21.9
173.04478	12.2
173.09561	4.5
173.11858	3.5
173.13280	17.4
175.11217	4.6
175.14827	7.4
177.12758	2.2
179.08638	3.8
181.10114	9.4
182.10875	4.0
183.11710	21.9
185.13261	12.7
187.11191	3.8
187.13275	2.9
187.14798	5.2
189.11139	4.6
189.16371	3.7
193.10077	4.3
194.10867	3.4
195.11687	10.7
197.13309	14.0
199.14738	7.9
201.12758	3.0
201.16435	3.7
207.11697	4.2
209.13255	9.3
211.11269	2.6
211.14882	10.2
213.16379	5.3
221.13329	4.0
223.14856	6.5
225.16382	4.6
227.12723	3.4
227.18042	3.7
229.14345	4.6
229.19595	2.8
235.14888	2.7
237.16460	3.5
239.18106	5.0
241.19507	7.1
257.19040	6.5
259.20593	11.0
265.19321	2.9
273.18552	3.4
275.20190	25.4
276.20428	3.2
315.23199	2.5
333.24384	10.2
335.25870	4.6
349.23810	12.9
365.28180	4.0
381.31955	2.9
403.24625	2.9
403.29626	2.8
421.30679	2.5
439.32257	3.3
453.33688	3.7
509.36197	2.3
513.35803	26.4
515.38257	6.9
527.37286	9.1
533.39807	7.2
551.40131	4.4
555.37024	3.3
562.38391	2.8
607.43604	52.9
625.44623	100.0
626.44641	4.7
649.45020	3.2
661.45667	2.4
671.40594	3.1
689.42072	7.1
733.45837	5.3
751.47131	5.0
769.48608	9.7
787.49640	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	787.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01667	1.8
55.01882	21.3
55.05269	3.1
55.05516	42.3
57.03444	15.4
57.07072	5.7
61.02929	6.5
65.03939	6.1
67.05511	90.2
68.05833	2.1
69.03138	1.9
69.03442	21.5
69.07072	43.8
70.55040	3.9
71.01357	1.7
71.04990	10.4
73.02907	3.6
77.03933	2.1
79.05499	78.5
79.08134	1.8
81.03424	52.8
81.07062	100.0
83.04983	16.4
83.08627	20.6
85.02899	11.6
85.06541	5.6
91.03962	3.3
91.05488	93.5
93.07050	81.7
95.01295	4.1
95.04977	16.3
95.08615	63.9
97.02913	17.6
97.06538	28.1
97.10182	8.3
99.04462	5.5
99.08086	4.4
103.05428	3.0
105.04608	2.5
105.07037	90.1
107.04958	14.6
107.08600	46.5
109.02856	9.0
109.06527	11.6
109.10166	27.6
111.04438	4.2
111.08094	7.5
113.09636	2.6
115.05447	5.0
117.07020	38.2
118.52173	1.7
119.08585	67.9
121.06506	7.6
121.10153	29.4
121.10947	3.1
123.04483	2.8
123.08099	9.3
123.11754	8.5
125.09662	3.3
127.03936	5.9
128.06311	3.9
129.05464	2.6
129.07005	21.9
130.07799	2.1
131.08580	50.8
133.06512	2.9
133.10141	56.5
135.08044	6.9
135.11694	20.1
137.09613	7.1
139.07481	1.9
141.07010	7.2
142.07791	4.1
143.08557	22.7
145.06474	2.8
145.10124	41.6
146.61650	1.8
147.08063	5.7
147.11688	32.4
149.09622	7.6
149.13266	12.0
151.11177	3.6
154.07845	2.1
155.08553	13.6
156.09258	2.0
157.06509	2.3
157.10136	20.6
159.08083	2.5
159.11703	29.2
161.09642	6.2
161.13257	23.9
163.11169	6.5
165.07057	3.1
165.12813	4.8
167.08559	5.3
169.10167	13.9
171.08188	2.6
171.11671	20.0
173.04478	22.3
173.13251	18.2
175.11261	4.2
175.14792	8.7
177.12802	5.3
178.07774	2.0
179.08551	3.1
179.14375	9.4
179.15811	1.9
181.10143	7.3
183.11728	14.7
185.09628	4.9
185.13277	13.8
187.11250	3.3
187.14821	5.6
189.12756	2.4
189.16472	2.3
191.14304	3.0
193.10196	3.2
193.12074	2.6
195.11713	6.0
195.13681	2.9
197.13269	10.5
199.14877	8.8
201.12685	2.4
201.16440	2.4
207.11731	4.5
209.13304	6.7
211.14841	6.1
213.12907	2.8
213.16428	9.3
215.17928	2.7
219.11707	2.2
221.13383	3.0
223.14841	4.4
227.12657	2.8
229.19571	2.4
231.21042	3.0
239.18111	4.2
241.19528	16.8
243.21162	2.5
251.17915	3.2
257.18964	9.5
259.20560	20.5
261.22150	3.5
267.16003	6.7
269.17209	8.3
271.20474	2.6
273.18549	6.5
275.20068	46.8
277.21671	3.1
285.22162	2.3
291.19418	2.2
293.21112	3.2
297.22141	2.8
301.21753	1.9
313.21579	2.8
315.23248	6.8
325.21420	2.4
333.24246	27.0
335.25873	13.0
347.22470	2.9
349.23856	23.8
351.25800	2.1
367.22491	2.2
369.24213	2.6
385.23749	3.9
413.22113	3.8
435.32690	4.5
437.33853	2.0
441.26352	2.3
509.36023	3.1
513.35657	7.9
515.38464	3.8
525.35754	2.5
527.37445	27.6
528.38367	2.3
533.39990	3.8
541.38812	1.9
543.36719	2.9
545.38226	2.2
569.39252	2.8
589.41986	3.4
607.43646	68.8
608.43750	2.5
625.44672	50.9
635.39435	8.6
649.44403	2.8
653.40033	4.6
671.41595	8.8
689.42621	12.5
733.46588	3.3
751.47998	5.0
769.48419	7.4
787.49042	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	787.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	13.0
55.05515	29.2
57.03441	9.5
57.07069	2.8
59.04995	1.5
60.58857	1.0
61.02934	10.6
65.03928	4.4
67.05510	57.7
69.03156	0.9
69.03436	10.2
69.07073	25.8
71.01330	1.2
71.05005	6.2
73.02927	5.4
79.05500	44.9
81.03429	14.5
81.07065	53.0
83.04996	6.4
83.08629	12.7
85.02911	12.6
85.06537	3.3
87.04469	1.1
91.03971	5.4
91.05491	44.4
93.07047	43.3
95.04966	5.9
95.08615	33.8
97.02902	13.1
97.06549	12.5
97.10172	9.7
98.20742	2.4
99.04440	3.0
99.08093	2.5
101.02344	2.3
103.05469	2.0
105.04484	1.3
105.07038	40.6
107.04961	6.1
107.08595	23.9
109.02870	3.3
109.06522	4.6
109.10165	21.4
111.04418	1.5
111.08047	3.2
115.05473	3.3
116.06269	1.2
117.07030	20.2
119.08593	32.8
121.06501	3.9
121.10160	17.1
123.08057	4.3
123.11716	7.3
125.09642	8.1
127.03893	3.9
128.06232	4.3
129.05534	1.8
129.07014	16.4
130.07762	1.8
131.08582	24.9
133.06505	1.8
133.10136	23.4
135.08093	5.7
135.11714	9.1
135.67760	1.0
137.09625	3.2
139.11208	2.6
141.07016	8.7
142.07785	4.4
143.08566	21.9
145.06483	2.7
145.10138	22.6
147.08046	3.5
147.11713	17.2
149.02364	5.0
149.09669	7.5
149.13232	4.2
151.07527	1.2
151.11159	3.0
154.07825	2.0
155.08562	13.2
156.09360	2.0
157.06541	1.3
157.08949	2.0
157.10141	19.1
159.11713	19.2
161.09642	2.5
161.13266	8.2
163.11195	4.7
163.14774	2.2
165.07014	1.2
165.12816	1.7
167.08539	5.4
168.09329	2.1
169.10109	17.9
171.08067	1.9
171.10275	2.1
171.11684	20.4
173.04475	3.4
173.09660	2.4
173.11780	2.3
173.13213	10.6
175.11218	2.7
175.14803	3.4
177.12711	2.2
179.08533	3.0
179.14276	1.5
180.09354	1.4
181.10144	9.4
183.11710	14.0
184.12370	1.3
185.09657	1.4
185.13272	11.0
187.11218	2.4
187.13269	1.8
187.14832	4.9
189.11185	3.8
189.12766	2.6
189.16441	1.4
191.14354	1.4
193.04913	5.7
193.10124	4.3
193.12051	1.3
194.10941	1.3
195.11690	9.2
196.12578	1.3
197.13249	12.0
199.11230	1.6
199.14799	7.7
201.12859	1.5
201.16400	2.2
205.09975	2.0
207.11684	3.7
207.13571	1.1
208.12404	1.3
209.11787	0.9
209.13324	8.0
211.11217	1.4
211.14844	8.8
213.12665	1.9
213.14539	1.2
213.16428	5.1
215.14188	1.2
219.11652	1.4
221.13264	3.3
221.15182	1.1
223.14810	5.4
225.16393	3.3
227.12799	4.7
227.18051	2.7
229.14354	3.3
233.13322	2.0
235.14842	3.8
237.16386	4.0
239.17970	4.2
241.19588	4.2
243.15858	2.3
247.14813	1.3
251.17981	2.4
253.19643	1.6
255.17470	1.7
255.21103	1.3
257.19003	4.0
259.20587	8.8
261.22037	1.6
263.17743	2.1
265.19543	1.6
267.15839	1.4
271.20532	1.5
273.18536	3.4
275.20047	12.9
281.18857	1.4
283.20435	2.1
289.21747	1.8
291.19611	3.3
297.22034	1.5
301.21582	1.6
308.05374	1.2
309.22009	1.9
311.23596	1.4
313.21567	1.7
315.23325	2.0
323.23730	1.9
327.23389	1.7
331.22900	1.2
333.24582	6.7
335.25803	3.2
347.22418	1.5
349.23917	5.2
353.24484	1.5
363.26532	1.2
365.24185	2.0
365.28488	3.7
367.22183	1.2
379.30054	2.0
381.31793	1.8
403.29626	1.7
421.30911	3.9
435.32706	1.7
439.32309	2.9
442.10388	1.1
471.34515	1.8
495.34622	2.2
501.35309	2.1
513.35858	28.2
514.36395	1.4
515.38458	5.6
525.35992	1.8
527.37408	8.2
533.39996	6.4
537.35785	1.2
539.37213	1.4
543.37042	1.4
551.41028	3.3
555.36566	2.1
560.35046	1.1
583.97968	1.3
589.42236	2.4
597.44934	2.0
607.43646	47.9
608.43695	1.3
625.44684	100.0
626.44989	4.5
635.39368	1.6
649.44800	1.7
652.66205	1.2
675.40991	2.1
689.42072	3.3
733.46240	2.5
751.47363	3.1
769.48950	6.4
787.49896	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	787.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.2
55.05514	28.7
56.48111	1.2
57.03442	11.6
57.07075	2.7
58.81372	1.1
59.04994	1.1
61.02928	7.9
65.03934	4.4
67.05507	67.6
69.03430	4.6
69.07069	22.5
70.12130	3.1
71.04996	4.4
73.02911	3.4
79.05496	45.6
79.40172	1.0
81.03416	4.7
81.07058	68.9
81.59309	1.0
83.04983	6.0
83.08623	13.5
85.02906	7.5
85.06566	3.3
91.03969	2.5
91.05482	60.7
93.07044	59.8
93.07644	2.3
95.04959	6.7
95.08608	46.8
96.08968	1.2
97.02889	5.1
97.06532	5.6
97.10173	3.8
98.20734	1.4
99.08098	2.4
103.05460	3.4
105.04515	1.7
105.07034	50.7
107.04977	4.6
107.08591	27.2
109.02883	1.3
109.06526	9.1
109.10155	17.4
110.35961	1.2
111.08094	5.9
115.05463	5.7
116.06212	3.0
117.07022	39.7
119.04930	2.2
119.08587	34.1
121.06522	4.8
121.10146	20.6
123.08072	5.8
123.11703	2.7
124.85147	1.2
125.09698	3.2
127.03905	1.8
128.06239	12.1
129.07005	27.0
130.07796	6.2
131.08572	52.6
133.06526	6.4
133.10139	19.8
135.08038	7.9
135.11696	11.2
137.09637	4.2
137.13274	1.8
141.06981	7.7
142.07764	5.0
143.08563	45.5
145.06485	3.9
145.10124	60.2
147.08034	7.8
147.11678	10.6
149.09622	4.9
149.13278	4.6
153.07033	1.9
154.07724	1.7
155.08507	8.2
157.10133	23.3
159.08096	4.3
159.11699	21.2
161.09656	10.2
161.13260	4.7
163.11212	5.9
165.06985	3.2
165.12762	1.2
167.08537	2.8
168.09329	2.1
169.10097	10.8
171.08047	1.8
171.11705	16.9
173.09621	3.4
173.13185	5.9
175.11209	7.3
175.14819	2.8
177.12726	3.8
178.62097	1.2
179.08624	1.2
181.10083	8.4
182.11052	1.3
183.11722	6.8
185.09612	2.0
185.13208	5.8
187.11263	1.8
187.14836	2.3
189.12729	2.4
193.12257	1.4
195.11697	11.0
197.13246	1.5
199.11221	1.6
199.14850	2.7
201.12749	2.3
207.11855	2.4
209.13268	2.9
211.14880	2.1
213.12814	1.9
213.16296	1.3
215.14470	1.6
227.17978	6.0
237.16393	13.9
245.19069	5.1
255.17438	18.8
261.22089	5.4
265.88205	1.3
273.18497	64.9
274.18863	1.3
291.19534	2.1
317.24881	2.1
329.21164	5.0
335.25809	100.0
336.26114	2.1
347.22189	33.8
365.23334	1.9
435.23431	1.3
497.46490	1.2
504.37820	1.5
508.05640	1.3
524.40607	1.4
607.43561	46.3
625.44641	13.5
753.13666	1.4
763.20801	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01645	2.2
55.01870	19.6
55.05517	30.6
57.03442	12.9
57.07059	3.2
59.05006	2.4
61.02927	3.7
65.03933	5.4
67.05510	92.0
68.05843	3.3
69.03426	4.6
69.06727	3.7
69.07075	43.5
71.04993	5.8
71.08619	3.3
79.05495	64.9
81.03436	14.4
81.07064	80.0
83.04984	12.2
83.08622	13.0
84.83432	2.4
85.02896	6.1
85.06532	6.1
91.05486	93.8
93.07050	64.8
94.07345	3.1
95.01327	7.0
95.04970	10.9
95.08620	48.8
97.02873	3.4
97.06543	29.3
97.10140	7.2
99.08131	2.3
105.04591	3.0
105.07040	100.0
106.07394	2.7
107.04960	21.4
107.08595	32.6
107.25639	2.1
109.06528	7.9
109.10162	30.4
110.10545	3.8
111.08076	6.7
115.05508	5.1
117.07024	30.1
119.08590	61.7
121.06470	6.1
121.10140	25.6
123.08044	5.6
123.11723	4.7
125.09652	2.7
129.06992	10.3
131.08582	35.6
133.06487	4.6
133.10144	56.5
135.08029	8.1
135.11700	17.2
137.09581	5.0
138.03186	2.3
139.07527	3.0
141.07014	2.8
143.08582	11.3
145.06413	2.9
145.10133	24.9
147.08058	3.9
147.11707	29.0
149.09624	7.2
149.13243	8.7
151.11192	3.3
155.08540	5.2
157.10136	10.4
159.08012	5.0
159.11713	24.9
161.09586	6.6
161.13297	16.6
163.11102	4.2
165.09128	4.4
169.10130	8.0
171.11691	11.2
173.11879	3.9
173.13266	10.3
175.14833	8.4
177.12720	5.3
179.14368	12.0
179.15648	2.4
183.11621	3.3
185.13246	7.5
187.11139	3.2
197.13353	4.0
199.14911	3.5
203.75406	2.5
217.15875	2.8
229.14397	14.7
229.19432	2.8
230.14656	8.6
241.19495	17.6
244.30597	2.6
257.18900	7.8
259.20596	23.3
261.21976	4.0
273.18518	11.9
275.20074	64.9
291.19553	4.4
297.17001	4.4
298.17346	4.0
309.65964	2.2
315.23279	14.4
333.24255	47.9
335.25858	20.8
336.26169	9.9
349.23746	43.5
445.30460	2.3
489.35431	3.2
490.35953	6.4
558.39087	4.6
607.43604	80.4
608.43427	5.3
625.44769	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.1
55.05509	39.1
57.03190	1.7
57.03444	12.4
57.07077	5.0
61.02922	9.7
65.03941	6.2
67.05507	69.3
69.03414	7.0
69.07068	24.1
71.04990	7.0
71.08666	1.6
73.02898	3.6
77.31286	1.6
78.48392	1.8
79.05494	64.0
81.03410	7.3
81.07053	75.7
81.07531	4.2
83.04961	6.1
83.08626	15.4
83.54567	1.7
85.02897	7.0
85.06531	2.5
91.05484	82.5
92.08427	2.0
93.07043	60.6
95.04960	10.3
95.08002	2.7
95.08609	54.7
97.02897	5.6
97.06517	9.0
97.10166	10.7
98.21442	4.3
99.08079	2.3
103.05472	2.4
105.04495	2.6
105.07034	66.8
106.04652	1.9
107.04961	5.7
107.07905	2.5
107.08602	30.1
109.06509	6.1
109.10175	17.2
111.04459	1.9
111.08083	5.9
115.05445	9.8
116.06232	6.2
117.07019	47.9
118.13113	1.9
119.04973	2.8
119.08587	37.2
120.16727	1.9
121.06509	7.1
121.10144	18.4
123.08083	11.3
123.11716	4.3
125.09612	6.5
128.06224	25.2
128.20674	1.7
129.07007	34.4
130.07809	12.7
131.08562	93.5
133.06483	9.4
133.10141	21.2
135.08029	6.0
135.11659	11.2
139.11201	2.9
141.06996	12.4
142.07761	8.1
143.08559	100.0
144.09372	3.1
145.06499	4.2
145.10121	97.9
147.08051	9.8
147.11699	10.9
149.09604	6.8
149.13255	7.4
151.11189	1.7
155.06013	2.2
155.08542	10.2
157.10120	29.8
159.08047	5.4
159.11705	22.4
161.09621	16.6
161.13246	4.3
163.11145	5.1
165.07024	2.3
166.07806	3.1
167.08545	6.1
169.10120	19.7
171.11685	21.7
173.09673	3.1
173.13255	6.4
175.11209	6.6
177.12764	3.2
180.09410	2.7
181.10097	12.4
183.11720	12.8
185.09599	2.5
185.13304	11.1
187.11148	2.4
187.14809	3.8
195.11673	25.0
197.13217	3.1
199.14865	2.9
201.12820	5.6
209.13216	5.0
211.14883	3.8
213.12729	4.8
222.13953	2.1
227.17929	6.9
231.13777	2.6
237.16417	22.6
245.18976	7.3
255.17455	32.4
257.18851	1.8
261.22116	5.8
273.18497	77.0
274.18869	2.3
275.19965	1.9
282.88910	1.8
291.19626	5.5
308.56216	1.9
329.21109	10.5
335.25793	91.1
336.26096	4.1
347.22153	48.7
353.15759	2.1
451.64389	2.3
485.00458	1.9
503.37259	3.1
504.37607	7.3
562.41394	2.4
589.42358	2.6
607.43524	74.4
625.44476	9.8
683.43372	2.0
766.64380	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	786.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	16.8
57.03421	9.3
57.07064	8.2
67.05510	43.8
69.07072	12.4
69.48262	31.1
71.04988	9.0
71.08612	9.2
72.60616	4.3
79.05505	28.1
81.03407	21.3
81.07067	53.1
83.04971	9.3
83.08616	17.9
85.02882	6.0
91.05474	29.9
93.07047	27.9
95.04967	9.6
95.08611	30.5
97.06516	5.1
97.40921	4.8
105.07018	20.1
107.08571	17.9
109.06503	6.6
109.10152	13.6
111.08049	5.4
112.19621	4.5
117.07001	8.0
119.08593	13.8
121.10117	15.1
123.11701	7.9
129.07002	8.4
131.08575	19.9
133.10085	18.3
135.11731	6.1
143.08557	8.9
145.10124	14.1
147.11682	7.3
157.10130	7.6
159.11671	8.4
196.88931	4.9
211.13269	19.6
237.16208	5.8
267.15851	4.9
273.18524	7.5
285.16898	7.8
286.17334	6.5
301.20102	16.4
306.28079	5.6
313.27359	11.7
314.27753	8.8
315.28165	7.5
335.25824	33.3
394.74634	5.8
397.11359	5.7
503.37326	100.0
523.39679	16.9
524.39886	12.5
525.40442	12.5
529.38831	13.2
561.41571	37.1
622.81018	5.8
625.33118	4.9
766.26007	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.1
55.05516	19.2
57.03430	12.3
61.02929	2.6
65.03918	3.8
67.05506	59.9
68.76659	1.7
69.03422	18.9
69.07065	19.3
70.65974	3.7
71.04996	10.8
74.51256	2.1
79.05498	37.5
81.03416	56.1
81.07058	78.5
83.04985	19.6
83.08620	13.0
85.02908	12.2
85.06541	7.0
91.05483	32.0
92.28860	2.0
93.07043	60.2
95.04963	9.6
95.08609	27.9
97.02907	14.0
97.06516	9.2
97.10154	2.6
99.04466	6.2
102.65445	1.9
105.07042	20.3
107.04956	5.9
107.08607	29.3
109.02876	7.0
109.06544	4.6
109.10167	7.6
111.04443	7.7
111.08069	5.7
117.07015	14.1
119.04942	2.1
119.08586	9.3
121.06535	3.0
121.10137	14.8
123.11690	5.7
127.03920	10.5
129.05487	4.5
129.07004	6.4
131.04930	2.7
131.08575	20.5
133.06500	2.7
133.10153	17.1
135.08081	2.3
135.11745	10.3
137.09576	2.0
139.03949	2.2
143.08554	5.7
145.06494	2.9
145.10170	2.4
146.08176	2.0
147.08002	2.2
147.11708	8.8
149.09639	2.8
149.13268	20.6
152.53128	1.9
155.08578	2.9
157.10104	4.4
159.11682	11.4
161.13251	1.9
165.12761	3.0
167.08475	3.1
169.10207	4.6
171.11676	2.9
173.04451	26.0
175.11147	2.4
177.12741	6.1
179.14284	2.2
183.11739	3.2
185.13248	1.8
187.14877	2.3
187.69501	1.7
195.13849	13.6
267.16006	4.3
269.17490	42.1
275.16513	2.2
339.18042	6.7
353.24677	2.3
371.25635	3.3
389.26645	2.9
395.20563	6.5
413.21848	16.6
442.36072	2.2
445.29587	32.5
462.28940	2.3
463.30551	90.1
464.30994	2.8
487.30975	2.5
553.66846	2.1
571.32611	4.3
589.33783	8.7
607.34747	100.0
608.35187	4.2
625.35065	4.1
751.35577	2.5
787.36945	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	786.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	11.0
55.05511	35.6
57.03444	13.6
57.07074	3.8
61.02905	5.5
65.03920	4.9
67.05510	69.0
69.03420	9.1
69.07069	30.4
69.78804	4.8
69.79212	9.3
70.40543	2.5
71.04982	8.5
78.12968	2.3
79.05501	73.0
81.03422	45.0
81.07059	77.1
83.04967	17.8
83.08620	25.0
85.02909	13.2
85.06530	4.9
91.05486	72.4
93.06487	4.7
93.07047	68.9
95.04986	32.6
95.08615	34.8
97.02919	4.7
97.06521	10.7
97.10192	15.4
99.08071	3.9
105.07034	59.9
107.04967	16.6
107.08598	46.3
109.06494	9.2
109.10167	25.0
111.04427	5.4
111.08070	8.5
113.09767	2.5
117.06347	2.4
117.07047	22.3
119.04922	2.7
119.08576	41.8
121.06495	8.2
121.10143	27.6
122.95165	2.7
123.08047	5.8
123.11690	6.4
125.09674	13.8
128.06218	4.4
129.07019	14.7
131.08569	34.1
131.17795	2.6
133.06500	5.2
133.10133	45.3
135.08025	9.8
135.11691	17.8
137.09622	5.3
139.11201	2.7
141.07034	2.8
142.07780	4.4
143.08560	11.5
145.06493	2.9
145.10162	23.3
147.11688	38.1
149.02301	2.8
149.09607	17.0
149.13284	13.5
157.10138	16.5
159.11722	26.0
159.81845	2.5
161.09615	3.6
161.13243	19.6
163.11147	11.0
165.12747	3.3
169.10098	3.7
171.11644	11.9
173.11874	3.7
173.13255	15.6
175.11194	12.1
175.14806	7.1
177.12711	6.9
183.11678	6.2
185.13228	7.7
187.11267	5.3
187.14827	5.2
189.11212	12.1
193.04897	4.1
193.12251	33.4
197.13165	2.8
199.14796	6.2
201.16286	3.2
205.12231	4.1
211.13290	56.4
223.13240	24.9
227.12788	19.6
229.14291	6.5
231.21198	4.3
241.19537	27.6
247.20648	2.7
249.15001	2.8
255.15884	3.3
257.19000	8.1
259.20599	79.7
261.22180	3.9
264.72253	2.5
267.15979	21.5
269.17511	16.8
269.83316	2.4
273.18344	3.2
275.20093	25.0
279.15704	5.1
283.15311	4.9
285.14099	3.7
285.16998	59.6
291.19543	3.1
293.21130	3.3
297.16956	38.6
315.23083	7.1
333.24277	70.6
333.30261	2.9
335.25983	3.3
349.23679	19.6
357.24466	2.9
365.23502	4.4
381.68842	2.8
384.59399	2.7
423.32153	3.1
433.31061	7.6
451.32083	5.8
467.25800	4.5
469.33237	4.8
474.06232	2.8
477.28769	5.7
491.30255	24.9
495.29269	3.2
503.33710	3.5
515.37250	4.7
525.35693	34.0
543.36798	100.0
561.37573	6.2
571.36359	19.9
589.36499	6.2
652.79193	3.0
695.88666	2.7
768.47772	2.7
786.49200	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	785.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	9.7
55.05273	3.5
55.05518	48.2
57.03432	12.6
61.02945	14.7
64.14462	2.6
65.03944	4.9
67.05185	4.5
67.05511	63.0
69.03416	13.0
69.07067	29.9
71.04983	10.9
71.53426	5.1
72.32110	3.3
73.02920	3.7
79.05498	52.9
81.03431	19.5
81.07060	62.2
83.04970	9.7
83.08620	20.6
85.02905	9.8
85.06573	5.4
91.03944	4.7
91.05487	48.6
93.07048	36.9
95.04997	16.6
95.08607	43.6
97.02879	11.1
97.06536	5.2
97.10190	27.4
103.05433	4.6
105.07026	38.8
107.04985	7.5
107.08615	29.6
107.70609	3.4
109.06500	4.2
109.10169	20.4
111.08086	3.9
112.21481	3.2
117.07038	26.7
118.20323	3.2
119.08591	28.5
121.06466	5.6
121.10129	16.5
122.54078	3.2
123.08056	4.2
123.11703	2.9
125.09653	21.7
127.03889	7.9
128.06157	4.8
129.07031	21.3
131.08575	30.1
133.06564	3.5
133.10135	16.5
135.08115	6.7
135.11720	7.2
137.09602	3.4
141.07005	10.1
142.07762	6.3
143.08611	21.8
145.06451	7.5
145.10120	25.7
147.08058	4.8
147.11661	12.9
149.13289	5.4
153.06985	4.5
154.07756	5.2
155.08583	19.1
157.10118	22.0
159.08109	5.6
159.11710	16.4
161.13252	5.8
166.07800	4.8
167.08553	13.8
168.09444	4.3
169.10127	24.5
171.11703	11.2
173.13263	10.5
175.14835	3.2
179.08540	5.8
181.10132	10.7
183.08218	3.8
183.11665	18.9
185.13292	10.7
187.14789	3.8
189.11163	10.7
193.10156	9.1
195.11719	11.4
197.13242	8.7
199.11212	3.6
199.14870	5.6
201.16348	4.9
205.10138	4.5
207.74225	3.1
209.13293	10.2
211.11205	3.9
211.14923	3.9
213.12856	3.2
215.14264	3.9
221.13139	5.1
223.14888	6.7
227.12750	14.1
233.13300	4.2
235.14702	4.3
239.17928	5.7
265.19543	3.5
275.20065	6.4
285.22061	4.3
291.19565	9.8
321.22058	3.7
379.29910	12.9
473.59470	3.0
513.36755	5.1
531.38361	12.9
541.35297	3.4
605.41907	42.5
623.33447	5.7
623.43115	100.0
650.60706	3.6
767.46680	7.6
785.48334	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	785.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.9
55.02105	1.5
55.05270	1.5
55.05518	21.4
56.88786	1.2
57.03445	13.4
57.07067	1.5
59.61554	1.2
61.02935	9.4
63.68761	1.1
65.03938	2.8
67.05508	52.5
69.03433	32.0
69.07072	16.7
70.78120	3.0
71.01358	2.9
71.04996	10.6
71.84288	1.1
73.02912	5.4
79.05497	37.8
81.03422	100.0
81.07063	65.2
83.04986	24.5
83.08621	20.6
85.02431	2.4
85.02911	27.2
85.06558	3.3
87.04481	1.5
91.03970	3.2
91.05489	38.1
93.06477	2.7
93.07045	39.7
95.01337	1.5
95.04974	26.2
95.08614	22.2
97.02901	32.9
97.06528	9.8
97.10182	8.0
99.04459	10.1
99.08102	2.1
101.02370	1.5
103.03933	2.8
103.05476	1.8
105.03430	1.5
105.04501	1.3
105.07032	24.9
107.04967	9.9
107.08602	25.1
109.02896	20.0
109.06530	6.4
109.10146	6.4
111.04436	13.5
111.08083	9.1
113.06052	1.5
115.05437	2.3
117.07028	11.2
119.04943	4.1
119.08597	20.9
120.96149	1.3
121.02810	1.3
121.06504	9.1
121.10143	17.5
123.04430	3.4
123.08108	3.4
123.11707	4.0
125.06007	1.5
125.09626	5.7
127.03918	22.6
129.05486	4.8
129.07021	12.1
131.04941	4.0
131.08566	20.4
133.06491	6.2
133.10141	12.8
135.04408	2.0
135.08070	4.1
135.11708	6.5
137.05986	1.7
139.03909	6.3
141.06996	2.8
142.07733	2.4
143.08546	4.6
145.04951	2.4
145.06505	5.0
145.10118	7.5
147.04388	1.5
147.08060	4.8
147.11711	16.0
149.05942	2.1
149.09647	5.8
149.13261	11.8
151.03951	1.2
151.07545	1.5
151.11208	1.2
153.09093	1.9
153.12733	3.1
155.08580	3.1
157.06473	1.4
157.10112	14.1
159.08051	3.1
159.11732	9.4
161.05989	1.8
163.03920	2.6
163.11180	6.4
165.12762	4.1
167.08575	1.5
169.10211	1.5
171.11702	2.7
173.04520	11.4
173.05919	2.6
173.09593	2.9
175.11180	13.1
177.12793	5.3
181.12291	2.9
185.13287	1.4
187.07463	1.6
189.05453	1.6
189.11217	2.3
191.10689	2.5
193.12251	27.4
193.13890	2.2
195.13820	8.1
205.12157	1.8
209.11670	1.4
211.13295	35.9
213.12868	1.8
213.14867	2.6
217.12283	1.3
221.15215	1.2
227.12689	6.6
229.14384	3.0
233.15413	1.7
249.14941	3.4
253.07030	1.7
253.18005	1.4
255.13756	2.0
257.15234	1.6
261.14984	1.7
267.13403	1.8
267.15964	21.5
269.14902	2.2
269.17517	27.4
273.14822	4.5
275.16431	1.4
283.15436	3.4
285.10275	2.0
285.17068	11.6
291.15952	2.2
297.16934	1.4
301.14307	2.4
303.16061	2.7
319.15405	2.1
321.17029	2.2
337.16599	3.0
339.18109	5.5
351.23233	1.7
355.17453	5.3
361.24417	1.3
369.24286	3.2
375.18359	1.3
377.19589	3.4
387.25339	2.4
393.18903	3.4
395.20776	3.8
411.20313	8.8
413.21564	7.3
429.21204	5.3
433.29333	1.8
435.27322	3.5
443.28049	9.7
461.28992	58.1
462.29248	2.8
469.56534	1.3
473.29327	1.7
479.30020	23.2
485.29202	2.3
503.30099	5.9
515.29993	1.3
527.30103	2.0
541.31757	1.4
545.31268	2.0
551.29810	1.8
557.31213	1.9
569.31390	7.0
587.32025	8.6
605.33270	16.5
623.34247	41.7
713.35669	2.0
749.37402	2.0
767.38147	7.5
785.39844	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	785.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.3
55.05273	0.6
55.05515	9.7
57.03436	4.7
57.07064	0.6
61.02928	17.5
65.03937	1.7
66.59115	0.5
67.05510	21.1
69.03432	6.3
69.07076	8.5
69.32814	1.0
69.33217	4.0
69.97604	0.6
70.34532	0.5
71.01355	0.9
71.04989	2.6
73.02637	0.5
73.02922	5.8
77.03923	0.7
79.05499	16.8
81.03424	6.6
81.07062	21.6
83.04995	3.8
83.08621	7.6
85.02907	19.3
85.06541	1.6
91.03962	10.0
91.05484	24.2
93.06481	1.2
93.07048	17.6
94.14610	0.6
95.04986	5.1
95.08611	14.2
95.78670	0.5
96.83541	0.5
97.02895	12.4
97.06524	4.2
97.10168	2.4
99.04453	2.0
99.08111	0.8
101.02356	1.0
103.03955	0.7
103.05454	2.0
105.04540	0.6
105.07035	20.4
107.04951	4.7
107.08598	10.6
109.02888	2.2
109.06522	3.4
109.10160	5.1
111.04439	1.1
111.08083	2.8
115.03963	0.9
115.05441	2.5
116.06308	0.9
117.07030	14.8
119.04946	1.4
119.08585	12.9
121.06500	4.3
121.10135	6.7
123.04445	1.3
123.08075	2.8
123.11718	0.7
125.09644	1.2
127.03915	4.7
128.06227	4.3
129.07004	20.5
130.07816	0.7
131.04930	1.4
131.08574	22.4
133.06506	4.4
133.10152	8.3
135.08044	3.1
135.11687	3.1
137.09625	1.7
139.03891	1.7
141.06972	7.5
142.07797	1.5
143.08553	16.1
145.04985	3.8
145.06464	4.6
145.10126	11.2
147.04504	0.6
147.08089	4.0
147.11697	4.6
149.09602	3.3
149.13264	0.9
151.11197	0.8
153.06998	1.8
155.08556	14.6
156.09274	0.9
157.06514	2.0
157.10127	9.4
159.08067	3.8
159.11703	6.4
161.09651	2.0
161.13330	0.6
163.06044	2.9
163.07304	0.7
163.11197	2.2
165.07024	1.2
166.07845	0.8
167.08592	6.5
168.09334	1.1
169.10127	8.9
171.08080	2.3
171.11693	7.1
173.05972	0.8
173.09657	1.9
173.13248	2.8
175.11177	2.3
177.12775	2.2
178.07855	0.6
179.08539	2.7
180.09323	0.7
181.10120	6.4
182.10803	0.9
183.08040	1.3
183.11671	6.4
185.09654	1.6
185.13277	4.8
187.11197	1.7
187.14786	1.7
189.12737	1.5
189.16455	0.6
191.08492	0.7
193.10147	3.7
193.12250	1.7
195.08044	0.8
195.11699	6.4
197.09645	1.6
197.13248	3.6
199.11208	2.1
199.14859	2.5
201.12775	1.9
203.14349	1.3
205.12248	1.0
206.10910	0.8
207.11803	3.6
207.13586	1.0
209.13283	4.2
211.11223	1.7
211.13091	1.0
211.14899	2.8
213.11000	0.8
213.12767	2.5
213.16408	1.6
215.14371	2.1
217.15944	1.0
219.11766	1.0
221.13310	5.2
222.14061	0.6
223.14810	4.4
225.12764	1.7
225.16431	0.8
227.14421	1.6
229.16048	1.1
231.17603	0.9
233.13286	1.0
233.15376	1.1
235.14891	2.4
237.12744	0.8
237.16412	1.2
239.14188	3.7
241.15939	0.9
243.13852	0.9
245.15414	1.0
247.14894	1.0
249.16487	1.8
251.14279	1.3
253.15921	1.7
255.17429	1.0
257.15341	1.9
259.17020	1.3
269.17490	0.9
271.16940	2.9
275.16333	0.6
277.15823	0.9
283.16861	0.6
285.18469	0.6
295.17120	0.6
302.56549	0.6
303.19397	0.7
315.21152	1.1
323.23828	3.6
333.22104	6.2
341.24686	4.6
351.23184	20.7
352.23624	0.7
369.24258	19.1
370.24442	0.9
375.23303	0.6
387.25308	11.8
388.68530	0.6
389.24792	1.0
407.25583	0.8
415.28296	1.2
425.26947	7.2
433.29703	1.7
443.27954	100.0
444.28149	1.8
461.29001	73.4
462.29248	2.2
473.29230	0.7
479.30426	0.9
485.28946	2.4
495.27618	0.8
503.29733	2.8
527.29608	0.8
533.29797	0.6
551.29889	1.8
557.31366	0.7
569.30872	1.5
587.31989	2.6
605.33185	3.9
623.34125	4.0
767.37018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.0
55.05516	20.9
57.03438	13.2
65.03947	3.5
67.05510	44.8
68.82993	2.9
69.03435	40.8
69.07066	13.1
70.91813	4.5
71.05024	14.1
76.33083	2.6
79.05490	40.1
81.03422	100.0
81.06593	3.5
81.07061	62.1
83.04987	28.0
83.08614	21.4
85.02905	24.5
85.06552	3.5
91.03917	2.9
91.05481	39.1
93.07043	41.7
94.35207	3.0
95.04977	25.0
95.08612	19.5
95.29256	2.9
97.02900	30.9
97.06542	11.3
97.10157	6.8
99.04452	11.0
99.08060	2.8
101.76170	2.9
103.03949	4.0
105.07031	27.9
107.04945	12.5
107.08611	28.4
109.02906	23.6
109.06555	8.1
109.10164	8.4
111.04436	14.8
111.08083	11.5
117.07038	9.1
119.08582	20.8
121.06510	8.6
121.10171	13.9
123.04423	4.2
123.08093	5.1
125.09640	4.7
127.03909	24.1
129.05476	7.9
129.07004	10.2
131.04910	3.2
131.08595	18.9
133.06442	7.8
133.10178	16.8
135.08063	6.2
135.11700	9.3
139.03946	5.1
142.07727	4.3
143.08609	4.7
145.06480	4.3
145.10127	6.6
147.08115	5.9
147.11690	23.1
149.09596	6.8
149.13275	14.0
155.08627	4.8
157.10139	13.1
159.11690	10.5
163.11240	4.5
165.12744	6.7
171.11746	5.6
173.04460	11.9
173.09647	4.0
173.38524	2.7
175.11226	5.7
177.12744	4.7
181.12277	4.5
193.12256	29.2
195.13820	8.0
211.13304	36.6
227.12744	5.9
229.14445	4.3
243.41614	3.5
249.14980	4.1
267.15909	20.3
269.17456	26.2
275.35107	3.1
275.38354	3.0
283.15518	5.4
285.17062	16.3
301.14398	3.9
303.15704	3.6
321.16754	3.3
339.17978	7.8
355.17218	3.7
395.20795	6.8
411.19974	6.3
413.21570	18.0
429.21158	5.5
461.29019	34.3
479.30051	29.6
503.30325	4.6
527.29919	3.8
543.19531	2.9
551.30438	3.4
569.30847	5.6
587.32208	10.9
590.91559	3.6
605.33240	16.5
623.34247	61.2
767.38245	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.9
55.05515	9.9
57.03440	11.3
57.07082	26.9
65.03940	1.3
67.05508	21.1
69.03439	3.5
69.07075	10.3
69.42017	6.7
71.04986	4.3
71.08636	17.2
73.02923	1.5
79.05063	1.6
79.05497	16.8
81.03423	41.6
81.07059	29.0
83.04984	11.0
83.08626	23.6
83.09124	1.4
84.99512	1.0
85.02434	1.2
85.02911	15.1
85.06557	2.1
85.10186	12.2
91.05489	24.3
93.07052	12.0
95.04382	1.2
95.04976	16.2
95.08611	21.5
97.02896	2.8
97.06532	2.9
97.10172	5.5
98.83281	0.9
99.04460	1.4
99.08068	1.0
105.07040	16.4
107.04959	5.8
107.08604	5.0
109.02891	3.5
109.06512	3.0
109.10152	8.7
111.04446	3.4
111.08101	7.5
113.06027	2.0
119.08575	13.6
121.10117	4.7
123.08038	1.8
123.11750	3.4
127.03913	1.9
129.07008	8.1
131.08563	8.2
133.06529	2.1
133.10139	11.2
137.13293	1.4
142.07806	1.6
145.10118	1.1
147.08067	2.4
147.11696	12.5
149.06841	0.8
149.09622	5.5
157.10118	10.2
165.12747	2.3
175.11197	11.9
184.07298	1.5
193.12265	35.3
209.01154	1.4
211.13313	60.0
239.23759	4.5
257.24838	2.1
267.15936	29.0
285.16980	54.3
313.27390	67.9
314.27673	1.8
318.22971	0.8
329.11826	0.9
331.28391	1.4
419.13806	1.5
465.25415	1.4
493.17322	3.0
505.38879	22.8
511.18320	5.3
523.39990	100.0
524.40350	4.2
539.28699	6.6
540.77686	0.9
762.11041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.38
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.8
55.05514	12.9
55.05788	0.7
55.12973	0.3
57.03157	0.4
57.03437	7.8
59.04998	0.8
61.02924	1.1
64.95145	0.4
65.03944	2.0
67.05505	21.6
69.03430	24.9
69.07068	4.9
69.32779	1.2
69.33199	1.7
71.01370	1.8
71.04996	7.4
72.67992	0.3
73.02908	1.3
79.05151	0.6
79.05493	21.1
81.03420	100.0
81.07057	24.7
83.01353	0.9
83.04984	18.0
83.08621	14.8
85.02908	15.2
85.06566	1.8
91.05482	26.0
93.07047	16.4
95.01334	0.7
95.04971	20.6
95.08601	8.1
95.09174	0.6
97.02895	25.5
97.06527	4.8
97.10165	5.2
99.04456	7.8
99.08104	1.2
101.02354	0.9
103.03947	0.8
103.05474	1.3
105.04530	0.8
105.07033	19.1
107.04957	8.0
107.08603	7.6
109.02881	19.8
109.06504	4.2
109.10164	3.3
111.04439	12.6
111.08085	8.3
113.02354	0.7
113.06001	0.8
115.05447	2.0
117.07008	3.9
119.04966	1.5
119.08581	13.1
121.02856	0.5
121.06501	4.0
121.10150	7.8
123.04430	3.0
123.08047	2.0
123.11703	2.8
125.02364	0.8
125.09628	3.0
127.03922	14.0
127.07584	0.8
128.06255	1.5
129.05530	3.6
129.07007	8.4
131.04968	1.8
131.08572	10.2
133.06490	3.6
133.10139	7.0
133.11096	0.6
134.15558	0.3
135.04413	1.2
135.08078	1.8
135.11688	2.8
137.05975	1.3
137.09657	1.1
137.13310	0.5
139.03931	1.6
141.07019	1.3
142.07811	1.8
143.08551	1.9
145.05038	0.7
145.06508	2.6
145.10139	4.3
147.04405	2.5
147.08041	3.4
147.11688	15.1
149.06020	1.7
149.09608	4.6
149.13245	0.5
151.03960	1.1
151.11205	0.8
153.05614	0.5
153.06984	0.5
153.12743	2.5
155.08522	1.8
157.05074	0.6
157.06476	0.9
157.10136	10.8
159.08087	1.1
159.11719	1.5
161.06012	1.0
161.09631	1.0
161.13351	0.6
163.03937	1.1
163.11169	4.1
165.05548	1.1
165.12762	5.1
167.07239	0.4
167.08585	0.9
169.05063	0.7
169.06442	0.6
169.10115	1.1
171.08044	0.8
171.11754	1.1
173.04482	10.0
173.05960	1.0
173.09636	1.6
173.13326	0.5
175.04050	0.5
175.07686	0.5
175.11189	10.4
177.05492	0.5
177.12802	1.0
181.10115	0.5
181.12286	3.0
183.06587	1.3
183.08038	0.4
183.11783	0.6
183.13826	0.4
185.09648	0.5
185.13379	1.0
187.07550	0.4
187.11221	0.6
189.05524	0.8
189.09135	0.4
189.11261	1.1
189.12813	1.1
191.10670	3.6
193.12250	28.8
195.11925	0.5
195.13791	0.7
197.13333	0.5
199.11250	0.5
199.14833	0.4
203.14424	0.5
205.12404	0.4
207.13838	0.6
209.09810	0.6
209.11714	1.1
209.13348	0.9
211.13284	43.7
213.12875	0.8
213.14879	0.8
215.10703	0.4
215.14459	0.5
217.12294	0.5
221.15422	0.4
223.13274	0.4
225.12775	0.4
227.12665	4.5
229.12318	0.7
229.14305	3.6
235.05911	0.7
235.13387	1.4
245.15553	0.5
247.13245	0.6
249.14859	2.2
253.07149	2.0
253.14445	0.7
255.13889	1.9
259.13379	1.2
265.14453	0.6
267.15921	14.4
268.16254	0.5
269.17892	0.5
271.08115	1.0
271.13043	0.4
273.14810	3.3
277.14407	1.3
281.17801	0.4
283.12851	0.5
283.15649	2.9
285.10245	0.6
285.16998	11.5
289.14478	1.3
291.15900	1.0
301.14236	4.8
309.16959	0.7
313.16708	0.6
319.15369	3.1
321.16980	0.6
333.16974	0.5
337.16428	4.7
339.22894	0.4
347.18591	0.9
349.21606	0.4
351.18265	1.0
355.17535	7.2
365.19586	0.6
367.22687	0.7
375.17957	1.8
377.19476	0.5
383.17145	0.4
385.23801	1.3
391.17081	0.4
393.19150	4.2
397.18399	0.5
403.25128	0.6
411.20187	8.8
411.25455	0.6
412.21042	0.5
429.21204	5.0
431.28091	0.6
438.18524	1.0
441.26486	0.7
449.29031	1.0
453.21576	0.6
459.27438	6.2
460.27588	0.4
463.19885	0.6
477.28592	5.8
481.20892	0.6
493.27621	0.7
495.29501	5.0
499.21954	0.9
501.28745	0.8
511.29636	0.4
519.29431	0.5
537.23303	0.8
539.30048	0.5
543.29828	0.6
547.28754	0.7
555.24152	0.7
557.31189	1.0
567.29968	1.3
575.32269	0.5
585.30420	3.4
603.31769	4.2
621.32739	11.2
622.33014	0.5
627.31799	0.4
639.33691	5.9
663.34088	0.6
729.34863	1.3
747.35724	2.1
765.36902	5.4
783.37946	22.4
784.38763	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	3.6
55.05517	15.0
57.03426	7.3
58.06599	2.6
61.02917	3.9
67.05176	3.0
67.05511	38.0
69.07072	11.6
71.04958	2.5
79.05496	58.3
81.03409	7.1
81.06659	2.8
81.07066	35.9
83.04975	7.1
83.08621	7.9
84.81761	2.3
85.02893	3.1
91.05488	56.3
93.06486	3.2
93.07057	53.5
95.04988	12.1
95.08623	27.4
97.06496	2.9
97.10149	4.6
105.07043	53.2
107.04951	5.4
107.08588	20.5
109.06536	4.0
109.10156	9.6
111.77194	2.1
112.50504	2.3
113.33995	2.1
117.07026	12.7
119.08591	34.2
121.10172	14.2
123.08047	4.8
129.07040	17.0
131.08606	12.6
133.06377	3.0
133.10153	25.9
135.07942	4.1
135.11702	11.1
141.33452	2.1
143.08571	10.9
145.10130	17.2
147.08084	2.7
147.11703	49.3
149.09615	3.0
149.13220	7.0
155.08577	3.3
157.10115	5.4
159.11667	12.6
161.09593	3.7
161.13277	31.4
163.11180	2.6
171.11702	29.0
173.13234	10.4
175.14824	8.3
177.12628	2.8
183.11681	2.2
185.13220	5.3
187.14879	3.4
189.12730	7.3
199.14772	2.3
207.13799	20.1
231.21118	5.3
241.19504	33.4
257.19019	2.8
259.20602	70.4
261.22174	4.4
275.20288	2.7
279.15964	24.4
281.17490	84.2
286.79041	2.4
297.17090	3.2
313.21661	3.2
315.23196	6.9
333.24225	56.2
447.32309	7.8
465.33456	7.6
479.60211	2.7
483.34213	3.7
521.36176	4.8
529.38568	3.2
539.37372	100.0
540.37445	3.2
557.38550	33.6
692.40192	7.6
782.42242	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	779.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
55.05532	1.2
57.03447	1.8
59.05015	0.5
60.70116	0.3
61.02936	4.4
65.03941	0.4
67.05514	3.7
69.03435	2.7
69.07076	1.1
69.87189	0.8
69.87590	0.5
71.05011	0.9
73.02924	3.7
79.05497	2.7
81.03434	2.1
81.07069	3.8
83.04980	0.4
83.08646	0.9
85.02914	3.9
85.06583	0.3
87.04501	0.5
91.03961	3.0
91.05480	2.0
93.07064	3.2
95.05003	0.8
95.08613	2.9
97.02898	3.6
97.06556	0.4
98.20652	0.3
99.04469	1.0
101.02369	1.5
103.03954	0.4
104.75412	0.3
105.07028	1.6
107.08616	1.8
109.02886	0.6
109.06535	0.3
109.10174	0.7
110.92382	0.3
111.08117	0.3
111.58788	0.3
115.03944	0.6
117.07024	0.3
119.08634	1.0
121.10176	2.3
127.03946	1.1
127.81919	0.2
129.07018	0.5
131.08586	1.4
133.10188	0.9
135.11754	0.4
145.10196	0.4
147.11734	1.0
149.09679	0.8
149.13333	0.4
157.10231	0.3
175.11266	0.5
185.04292	0.9
186.33452	0.3
193.12343	0.6
225.14880	0.5
243.08417	1.5
253.14656	0.3
283.15192	5.2
325.55115	0.2
335.25836	0.7
339.17957	0.5
431.96158	0.3
469.20416	0.4
501.23166	7.0
519.29303	8.0
617.40668	0.4
779.45557	100.0
780.45764	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	779.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
55.05508	1.1
55.68306	0.3
57.03440	1.9
61.02928	4.4
62.69482	0.3
67.05508	4.3
69.03432	2.7
69.07061	1.7
71.01363	0.5
71.05000	0.4
73.02913	2.9
73.57912	0.3
79.05489	3.0
81.03419	3.7
81.07059	3.7
83.04987	1.1
83.08643	1.7
85.02910	5.6
91.03963	2.7
91.05479	3.3
93.07050	2.6
95.04995	2.1
95.08614	1.9
97.02895	4.3
97.06541	0.5
99.04479	0.8
101.02393	1.2
105.07014	2.7
107.04974	0.5
107.08614	1.1
109.02907	0.8
109.06513	0.5
109.10184	0.6
111.04391	0.3
111.08078	0.6
117.06967	0.3
119.08576	1.8
121.06524	0.3
121.10168	1.1
127.03975	1.2
129.07076	0.8
131.08589	1.2
133.10135	1.6
135.08041	0.4
135.11700	0.9
137.09648	0.4
145.05022	0.3
145.10139	0.4
147.08061	0.4
147.11684	1.5
149.09665	0.5
149.13266	0.4
153.05113	0.3
157.10176	0.8
159.11758	0.4
175.11214	0.6
185.04156	0.4
193.12321	1.1
193.64137	0.3
203.05327	0.5
211.13335	0.6
220.95152	0.3
243.08423	2.4
251.12558	1.4
285.17053	0.3
301.09583	0.3
307.15140	0.7
333.20511	1.3
389.22910	0.4
431.47226	0.3
439.19528	0.5
453.20996	1.6
469.20477	10.6
469.27139	0.6
551.28296	4.2
564.15253	0.3
617.36523	0.3
667.32611	0.4
681.34967	1.0
779.41858	100.0
780.41833	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	779.419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
55.05522	1.9
56.57434	0.2
57.03190	0.2
57.03436	1.6
57.09724	0.2
61.02929	4.7
62.65110	0.3
65.03954	0.3
65.56251	0.2
67.05511	4.3
69.03431	2.9
69.07073	1.9
71.04988	0.6
73.02921	3.2
79.05491	3.0
81.03432	2.8
81.07067	4.5
83.04984	1.0
83.08627	1.2
85.02910	5.0
85.06566	0.3
91.03967	2.6
91.05477	3.8
91.05939	0.3
93.07055	2.8
95.04981	1.2
95.08618	2.0
97.02902	3.2
97.06530	0.6
97.10170	0.4
98.43619	0.3
99.04493	0.9
99.08095	0.3
101.02390	1.2
103.50785	0.3
105.07037	2.9
107.04991	0.5
107.08610	1.6
107.22609	0.3
109.02872	0.5
109.06528	0.5
109.10176	0.7
111.08108	0.4
117.07050	0.7
119.08598	2.0
121.06544	0.3
121.10167	0.9
125.09681	0.3
127.03942	1.1
128.06372	0.3
129.07045	0.6
130.93202	0.2
131.08575	1.1
133.10127	1.8
135.11748	0.6
145.05069	0.3
145.10168	0.6
147.08047	0.3
147.11688	0.7
149.09642	0.6
157.10188	0.7
163.11229	0.4
171.10179	0.3
175.11246	0.7
185.04190	0.6
186.85469	0.3
193.12292	0.7
203.05336	0.6
211.13448	0.6
221.11732	0.3
243.08441	2.7
251.12498	1.5
254.50905	0.3
258.81348	0.3
267.25650	0.3
313.76837	0.3
333.20383	2.3
389.23004	0.7
417.07529	0.3
439.19272	1.3
453.21082	1.0
469.20413	6.3
491.94360	0.3
551.28326	7.0
553.09943	0.3
607.68250	0.3
617.36633	0.6
681.34875	0.6
779.41870	100.0
780.42194	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	778.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.5
55.05517	17.5
57.03443	12.1
57.07076	8.6
61.54725	1.2
67.05180	1.8
67.05510	22.1
69.03432	1.6
69.06730	2.0
69.07072	25.6
70.11389	4.7
71.04999	1.6
71.08637	3.5
78.77711	1.3
79.05504	13.0
81.03423	66.2
81.07059	24.5
83.04989	2.8
83.08624	32.6
85.06586	1.3
91.05482	14.3
93.07059	11.6
95.04978	18.7
95.08063	2.0
95.08614	22.6
95.45081	1.4
97.02892	2.6
97.05556	1.4
97.06533	3.3
97.10184	13.2
105.07039	8.9
107.04961	4.3
107.08598	10.0
109.06503	2.9
109.10152	9.6
111.04478	1.9
111.08078	8.3
111.11720	2.3
117.07036	1.8
119.08579	11.9
121.06504	1.9
121.10149	15.5
123.04421	2.4
123.08049	1.9
123.11697	2.4
125.09603	1.7
129.06944	7.0
131.08604	7.6
133.06442	4.1
133.10118	3.1
135.11688	5.1
142.07785	2.6
145.10095	2.3
147.08049	2.4
147.11690	5.0
149.09615	4.9
149.13284	3.4
157.10130	9.3
163.11192	1.6
165.12878	1.6
175.11160	7.6
184.07353	1.9
193.12265	23.0
193.13921	2.6
224.68420	1.3
243.85443	1.3
247.24010	2.0
252.88611	1.6
265.25186	2.9
267.15930	100.0
268.16339	1.5
279.83890	1.3
339.28952	86.2
340.29285	2.0
433.13892	1.3
457.37262	1.8
531.40485	79.9
532.40887	1.7
549.41473	13.2
573.41504	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	777.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	16.4
57.07092	0.6
57.72292	0.5
59.04977	0.7
67.05487	1.8
69.03418	0.9
69.07054	1.0
70.02471	0.5
71.04986	1.1
71.53328	0.9
79.05488	1.0
81.07043	2.0
83.04984	8.4
83.08620	12.4
85.02900	0.8
85.06542	1.2
93.07032	2.0
95.04961	1.3
95.08633	1.7
97.02925	0.7
97.06517	1.8
97.10166	2.7
105.07022	0.8
107.08589	5.1
109.06494	0.7
109.09467	0.9
109.10149	6.9
111.08096	3.3
113.09583	0.7
121.10142	2.8
123.11705	3.2
125.09604	3.0
130.03577	0.5
133.10120	1.6
149.13231	3.0
151.11188	23.4
158.99634	0.7
167.14319	25.7
191.14270	0.7
203.07150	0.5
209.15369	100.0
210.15649	1.5
371.20850	0.9
515.72412	0.6
694.25061	0.6
711.21338	0.7
785.68500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
55.05502	1.6
56.20828	0.3
57.03445	2.4
59.65005	0.3
60.43358	0.3
61.02929	3.8
65.03938	0.3
65.12106	0.3
67.05509	4.4
69.03429	3.3
69.07069	1.9
70.10161	0.8
70.10582	0.7
71.01340	0.3
71.05006	0.8
73.02914	3.4
79.05499	3.3
81.03421	4.3
81.07063	5.2
83.04977	1.2
83.08620	1.5
85.02909	6.1
87.04490	0.4
88.14790	0.3
88.15400	0.3
91.03954	2.4
91.05487	4.5
93.07053	4.0
95.04970	2.2
95.08602	2.6
97.02911	3.8
97.06524	0.8
97.10131	0.4
98.10274	0.3
98.21442	0.4
99.04446	0.6
99.93401	0.3
101.02409	1.3
105.07036	3.3
107.04984	1.2
107.08590	2.2
109.02908	1.0
109.06554	1.0
109.10168	1.3
111.04435	0.4
111.08093	0.8
117.07027	0.7
119.08576	1.7
121.06512	0.4
121.10172	1.2
123.08122	0.7
123.11690	0.5
127.03957	1.3
129.05489	0.6
129.07016	1.0
131.07686	0.3
131.08586	1.5
131.09470	0.3
133.06480	0.5
133.10117	2.6
135.11748	0.5
139.97292	0.3
143.08643	0.3
145.04904	0.4
145.10141	0.9
147.08070	0.5
147.11711	1.9
149.09689	0.9
151.11201	0.4
157.10149	1.3
159.11719	0.4
161.09621	0.3
165.12740	0.3
171.11693	0.3
175.11189	1.5
183.21268	0.3
184.07433	0.3
185.04300	0.9
186.50906	0.3
193.12270	2.3
195.13861	0.3
203.05322	0.5
211.13327	1.0
227.12886	0.5
240.58131	0.3
243.08443	2.6
251.12630	1.1
254.41565	0.3
275.20218	0.5
285.17065	0.8
307.15262	0.6
313.17838	1.4
331.18918	3.4
350.23969	0.4
355.14136	0.4
383.16675	0.3
399.54611	0.4
451.19638	1.0
469.20547	10.4
483.21991	0.4
531.25806	1.0
541.22748	1.2
544.37610	0.7
549.26776	1.7
562.38275	0.5
679.32599	2.0
759.39355	8.0
777.40350	100.0
778.40637	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	776.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.3
55.05513	43.1
57.03439	16.3
57.07078	2.8
59.05007	3.8
61.02929	2.7
65.03931	3.6
67.05507	100.0
69.03414	4.5
69.07070	17.3
70.78725	6.1
71.01363	2.1
71.04988	2.4
73.06586	2.0
79.05495	49.0
79.92838	2.0
81.03410	9.0
81.07059	65.9
83.04956	4.5
83.08610	17.3
85.02900	13.5
85.06533	4.1
87.04492	4.5
91.03918	2.6
91.05479	31.3
93.07047	46.4
93.07635	3.2
95.04954	8.5
95.08604	39.1
97.02879	3.0
97.06510	5.5
97.10167	20.9
97.28345	2.1
105.07027	15.7
107.04978	2.9
107.08591	35.8
109.10157	49.8
111.08080	3.6
117.07009	9.0
119.08600	15.0
121.10139	18.8
123.08066	2.4
123.11678	5.6
125.09650	18.2
129.07004	3.1
131.08574	12.1
133.10117	10.3
135.11664	13.3
139.11221	2.8
143.10696	2.4
145.10109	12.6
147.11696	5.2
149.09628	3.9
149.13246	4.5
153.12802	2.8
155.10683	3.9
157.10184	3.5
159.11710	6.7
161.13254	5.1
163.11163	4.8
163.14804	3.2
164.70424	2.0
169.17929	1.8
171.11694	2.2
173.11731	12.0
173.13283	6.7
175.11269	2.3
175.14822	2.1
187.14810	3.7
191.10724	2.5
193.12155	2.1
199.13348	13.0
209.11749	4.3
227.12776	9.1
229.14337	36.8
243.21072	4.3
261.22168	15.5
267.16010	6.4
277.21780	3.5
283.15289	3.1
301.16525	17.7
335.25809	72.0
335.29868	3.9
363.25262	2.6
459.34824	2.8
477.35727	10.7
485.49094	2.3
487.49435	2.0
489.35724	14.4
491.47446	2.5
504.15704	2.3
543.36609	7.5
561.37744	15.2
579.38678	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	774.5
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
55.05515	20.8
57.03441	11.9
57.07084	2.9
58.41462	1.2
59.04983	2.2
61.02916	2.1
65.03938	3.8
67.05508	72.0
69.03424	3.4
69.07072	21.3
71.05000	37.7
73.02927	1.2
77.03915	1.2
79.05499	51.3
79.05965	2.9
81.03438	5.8
81.07063	100.0
82.07363	1.2
83.04980	5.2
83.08625	14.6
85.02888	4.1
85.06554	8.4
91.05486	70.7
93.07048	55.5
95.04958	5.1
95.05489	1.1
95.08611	32.1
97.02891	1.9
97.06532	9.2
97.10162	5.4
99.08106	3.0
102.94665	1.2
103.05505	1.3
105.04556	1.3
105.07034	60.0
107.04999	1.4
107.07871	2.0
107.08595	33.8
109.06512	5.1
109.10159	19.0
111.08086	4.2
115.05444	2.7
117.07024	21.2
119.08584	42.3
121.10146	21.4
123.08098	2.9
123.11708	12.3
125.09637	6.6
128.06216	2.7
129.05496	1.5
129.07022	11.1
131.08565	28.9
133.10139	47.3
135.11694	18.5
137.09560	1.6
139.11118	2.7
141.06993	2.6
142.07751	2.8
143.08557	11.9
143.70311	1.1
145.10135	24.5
147.11681	27.3
149.09621	4.1
149.13289	10.0
151.11220	9.5
153.12701	1.3
155.08513	3.8
157.10123	10.7
159.11707	25.5
161.13258	14.4
163.14857	2.2
165.12796	1.4
167.08578	1.7
169.10139	5.1
169.12254	2.0
171.11710	11.7
173.04532	1.6
173.11800	2.0
173.13214	10.8
175.11224	3.1
175.14777	5.7
177.12755	4.5
181.10098	2.6
183.11711	5.6
183.13835	3.6
184.07310	1.6
185.09645	1.1
185.13248	9.5
187.13237	3.5
187.14827	3.8
189.12744	1.4
193.12274	2.7
195.11754	2.6
195.13731	2.8
197.13237	3.4
199.14757	6.2
201.14786	3.0
203.14328	1.7
207.11763	1.6
209.13202	2.5
211.14951	1.7
213.16428	2.1
223.14957	1.7
231.21056	3.0
241.19592	10.8
243.15916	4.4
257.17114	6.7
259.20660	32.1
261.22083	2.2
267.15817	3.1
269.17133	5.6
273.47656	1.2
275.19785	1.2
296.22522	1.4
299.18488	1.6
301.20099	29.8
313.21719	2.5
315.23166	6.9
331.22662	1.5
333.24280	28.5
335.25803	3.2
341.24786	1.9
409.30991	5.2
417.31674	1.6
435.32608	5.4
453.33618	2.2
473.33423	2.0
483.34637	7.9
501.35748	87.1
502.36014	3.0
503.37341	5.1
509.36371	5.7
513.89661	1.3
527.37323	59.9
528.37250	2.4
533.38281	7.2
541.13257	1.5
545.38171	8.6
559.40070	27.7
577.40710	2.8
653.40662	1.7
689.42084	2.1
703.43927	2.2
774.41046	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	774.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.2
55.05268	1.5
55.05513	17.8
57.03440	18.0
57.07071	1.7
61.02923	1.5
65.03925	2.4
67.05507	59.6
69.03422	3.0
69.06736	1.2
69.07076	14.7
70.68641	1.7
70.69015	2.1
71.04985	2.8
77.03921	1.0
79.05495	41.0
81.03420	83.3
81.07059	55.8
83.04992	7.0
83.08153	1.4
83.08617	20.7
85.02908	1.8
85.06535	3.5
91.05485	34.3
93.07047	41.5
95.04365	1.9
95.04969	28.5
95.08611	42.8
97.02883	2.5
97.06515	4.1
97.10166	6.3
99.08085	1.5
102.54669	0.9
105.07029	25.0
106.23747	1.0
107.04993	5.7
107.08602	24.9
109.06506	3.9
109.10160	21.4
111.04404	2.1
111.08086	8.6
111.11671	0.9
114.74199	0.9
115.05433	1.3
117.07006	7.1
117.76132	1.1
119.08587	23.5
121.06502	4.1
121.09324	1.6
121.10149	21.2
123.04428	1.0
123.08046	3.2
123.11712	8.0
125.09636	3.4
128.06212	0.9
129.07010	10.6
131.08578	16.5
133.06497	3.1
133.10136	14.3
135.08052	2.1
135.11697	12.7
137.09651	2.5
137.13248	2.6
142.07773	2.3
143.08560	2.2
145.10133	9.8
147.08046	3.1
147.11682	12.6
149.05988	1.0
149.09636	5.9
149.13275	6.0
151.11259	1.1
155.08566	2.1
157.10147	12.0
159.11687	6.9
161.09557	1.2
161.13286	5.0
163.11176	3.5
163.14824	3.6
165.12720	2.1
169.10143	1.2
171.11671	2.1
173.13281	5.0
175.11203	7.9
175.14749	1.6
175.22781	1.0
177.16380	1.5
182.95914	0.9
185.13255	1.8
187.14828	3.5
189.11212	3.2
189.12767	1.2
189.16241	1.2
191.14288	1.3
191.80145	0.9
193.12263	20.4
197.13354	1.4
199.14809	1.0
205.12332	1.0
211.13251	1.1
219.13681	1.3
223.13280	1.2
227.12759	7.6
235.13356	1.4
243.21132	5.9
247.16846	1.2
249.14853	2.5
259.20596	1.4
261.22122	19.8
267.15918	100.0
268.16150	2.1
279.23077	1.4
281.20865	1.0
285.22330	1.2
301.14420	1.5
301.25156	5.3
309.16989	2.9
317.24649	3.8
335.25809	86.9
336.26010	1.4
355.18942	0.9
359.25681	1.7
378.03128	0.9
417.31329	1.4
421.25839	2.6
435.27423	1.9
435.32690	4.6
453.33612	8.1
471.34521	3.6
475.30325	1.2
509.36017	1.9
527.37372	67.0
528.37750	1.9
536.39160	0.9
545.38391	55.2
546.38531	1.7
559.39685	1.7
569.38586	4.3
623.39172	1.7
635.39197	1.7
671.41235	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	13.8
55.05513	27.1
57.03439	13.8
58.50866	0.8
59.05004	1.7
61.02926	2.7
62.85425	0.8
65.03938	2.7
65.65517	0.7
66.82176	0.8
67.05508	46.4
69.03433	6.3
69.07071	39.1
71.05009	5.3
73.01723	0.7
77.03896	1.2
79.05497	49.8
81.03422	48.2
81.07059	51.1
82.03721	1.0
83.04986	15.9
83.08620	27.9
85.02910	21.4
85.06540	2.7
86.09697	1.0
87.04438	0.8
87.34230	0.8
91.03940	1.2
91.05484	50.6
93.07045	36.8
95.01302	1.0
95.04971	20.9
95.08612	28.0
96.04538	0.9
97.02870	6.0
97.06534	22.5
97.10168	18.2
99.04444	1.0
99.08104	2.1
103.05459	1.2
105.04527	1.6
105.07037	47.6
106.07401	0.8
107.04958	14.5
107.08601	39.4
109.02895	1.8
109.06519	7.1
109.10156	10.6
111.04453	2.6
111.08086	9.6
113.05998	1.8
113.09644	1.2
115.05452	1.9
117.07010	11.6
119.08591	35.7
121.06513	4.7
121.10145	15.8
123.04407	0.9
123.08056	5.1
123.11737	3.0
125.09631	16.8
127.03928	1.8
128.06197	1.6
129.07008	10.5
130.07805	0.9
131.08574	22.2
133.06512	3.6
133.10129	22.3
135.08064	5.4
135.11688	6.8
137.09613	4.2
141.06995	1.3
142.07790	2.1
143.08560	3.6
145.06454	0.9
145.10130	18.0
147.08022	5.0
147.11700	21.6
149.09631	27.3
149.13268	2.7
151.11165	2.6
153.09103	1.5
155.08618	2.2
157.10124	16.0
159.11703	10.5
159.98924	0.8
161.09613	1.7
161.13290	6.4
163.11183	10.3
165.09129	1.9
165.12769	3.4
169.10155	4.7
171.10135	2.2
171.11685	2.9
173.11940	1.0
173.13190	3.7
175.11180	13.8
175.14833	1.8
177.12766	3.0
179.14275	4.5
181.10132	1.0
181.12099	0.8
183.11699	2.5
184.07318	2.4
185.13286	2.9
187.11197	3.5
189.11247	9.6
189.12749	1.7
191.14326	1.1
193.12259	30.9
197.13283	1.7
199.14861	0.9
203.14250	1.2
205.12248	1.6
211.13293	41.2
215.14217	1.0
217.15866	0.9
219.17438	1.4
221.15482	0.8
223.13141	1.0
227.12788	29.0
229.19476	1.8
233.15471	1.0
239.17998	2.9
245.13911	1.5
247.20607	2.5
249.14877	1.0
253.18071	2.1
257.19009	9.8
259.11801	1.1
267.15927	21.6
269.17590	3.8
273.18521	1.3
275.20090	46.4
285.16968	47.1
291.19485	2.1
293.21100	5.4
331.22742	4.9
349.23737	60.2
350.24155	1.4
367.24973	1.6
381.22656	2.3
389.17776	1.0
404.08215	0.8
431.29504	0.9
437.25189	3.7
445.29355	2.0
447.27225	2.1
449.30191	1.2
455.26379	2.9
461.28796	2.5
463.30554	6.4
465.28339	1.1
467.31726	1.3
479.29941	3.2
485.32489	1.2
487.30612	1.1
501.32373	1.1
513.35608	1.0
523.33960	3.0
541.35278	39.5
542.36035	1.4
559.36316	100.0
560.36890	4.7
577.37402	15.2
599.30164	1.9
610.01605	1.0
703.41156	1.4
721.42023	0.9
741.02960	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.8
55.05513	28.5
57.03439	19.7
57.07071	1.3
61.02902	3.9
61.03213	1.2
65.03955	4.9
67.05506	69.0
69.03136	1.1
69.03431	11.0
69.07070	30.2
69.43517	7.8
71.04993	10.6
71.08604	1.1
73.02912	2.5
73.06499	1.1
75.71866	0.9
77.03919	1.9
79.05497	62.1
81.03419	76.6
81.07058	85.6
82.03729	1.0
83.04987	22.6
83.08620	34.8
85.02909	27.7
85.06530	4.2
86.28100	1.0
91.05482	65.3
93.07047	58.5
95.04372	2.0
95.04973	36.8
95.08613	28.6
97.02887	7.7
97.06532	14.2
97.10170	8.0
99.04467	2.3
99.08068	4.1
103.05446	2.5
105.04529	1.8
105.07035	47.3
107.04960	12.8
107.08595	35.5
109.02911	2.0
109.06508	8.4
109.10154	8.9
111.04443	3.4
111.08079	13.5
113.05984	2.9
113.09619	1.2
115.05424	3.9
117.07024	13.1
119.04921	1.4
119.08584	38.3
121.04169	1.0
121.06484	4.6
121.10148	21.2
123.08096	6.8
123.11702	6.5
125.09627	4.4
127.03893	3.0
127.07529	1.2
128.06223	1.7
129.07001	14.6
130.07755	1.6
131.08577	30.2
133.06483	2.9
133.10132	32.8
135.08080	5.0
135.11694	15.0
137.08672	1.1
137.09634	4.0
141.06969	2.8
142.07800	3.9
143.08559	4.3
144.09296	1.1
145.06506	1.8
145.10114	14.7
147.08037	4.1
147.11685	23.8
149.09613	16.4
149.13292	10.7
151.11192	2.7
155.08488	3.0
157.10136	19.0
159.11690	11.4
161.09628	1.9
161.13300	2.6
163.11133	8.2
165.12741	3.9
169.10112	3.2
171.11610	1.9
173.04507	1.8
173.13258	3.4
175.11191	17.1
177.12772	5.0
179.14352	2.3
181.12163	1.8
183.11667	2.2
187.11214	1.3
187.14810	1.5
189.11206	1.6
193.12256	44.2
195.13773	4.9
197.13301	1.4
211.13286	64.9
213.16408	1.5
221.13248	1.6
223.65570	1.0
227.12799	4.5
229.19452	1.6
239.18025	1.5
247.20682	1.0
249.14874	2.3
253.14450	1.2
255.15903	14.1
257.18951	5.5
267.15933	35.8
269.17493	39.1
275.20074	20.2
283.15216	1.4
285.16968	64.5
293.20966	2.6
299.20157	1.3
331.22659	1.6
349.23792	17.4
367.24695	5.4
389.68298	1.2
419.24823	1.1
437.25256	1.2
443.28036	3.4
447.27444	11.2
449.30258	1.4
461.28998	39.8
465.28479	19.6
467.31537	1.5
479.30038	100.0
480.30133	3.0
541.35126	11.3
557.55383	1.2
559.36267	22.1
577.37360	7.1
623.34082	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	774.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	11.7
55.05516	37.4
57.03440	21.0
57.07056	2.5
59.05000	1.5
61.02919	4.2
65.03934	4.8
67.05510	78.0
69.03436	13.0
69.07070	38.4
70.15030	2.7
70.15427	1.9
71.01340	2.4
71.04988	11.5
71.13446	1.0
73.02908	1.7
73.06570	1.2
77.03923	1.8
79.05496	76.9
81.03423	73.7
81.07062	100.0
83.04987	27.8
83.08154	2.5
83.08624	36.9
83.87746	1.3
85.02431	2.2
85.02908	29.1
85.06525	5.7
91.05486	74.3
93.07047	72.8
93.07542	1.5
93.17278	1.4
95.04978	34.2
95.08609	39.2
97.02889	9.0
97.06546	21.3
97.10170	10.6
99.04436	1.5
99.08099	4.8
103.04011	1.4
103.05453	1.8
105.04556	1.6
105.07034	58.4
107.04958	21.2
107.08600	37.8
108.98846	1.1
109.02853	2.4
109.06525	11.3
109.10148	12.6
111.04443	4.5
111.08080	15.6
113.06014	5.1
113.09648	2.1
115.05424	4.3
117.07005	18.9
119.04905	1.5
119.08585	48.5
121.06525	7.6
121.09330	1.9
121.10146	25.1
123.04423	1.5
123.08065	6.9
123.11742	7.1
124.47437	1.3
125.09621	9.5
127.03936	3.3
127.07560	1.6
128.06216	2.5
129.05498	2.8
129.07002	18.5
130.07730	1.3
131.08578	36.2
133.06476	4.8
133.10138	30.8
135.08044	5.3
135.11693	18.6
137.09627	4.7
141.06975	2.3
142.07764	5.1
143.08569	7.1
145.04979	1.8
145.06448	2.1
145.10120	17.4
147.08046	5.2
147.11694	28.5
149.09621	27.6
149.13272	12.6
151.11215	3.5
155.08565	3.2
157.10129	21.2
159.08051	1.6
159.11697	16.6
161.09608	2.3
161.13292	4.6
163.11165	12.2
165.12712	5.6
169.10129	3.8
171.11713	3.7
173.04459	3.8
173.11958	1.3
173.13229	5.8
175.11200	16.2
177.12750	3.9
179.14294	5.0
181.12210	1.9
183.11708	2.9
185.13271	2.9
187.11304	1.7
189.11230	2.8
189.12778	1.2
193.12251	51.3
195.11839	1.9
195.13818	5.9
197.13318	2.7
201.12848	2.1
205.12244	1.9
206.10808	1.3
211.13297	68.9
227.12794	11.0
229.14478	1.6
229.19530	2.4
239.17929	3.8
247.20459	1.9
249.14897	2.9
255.15926	15.2
257.19061	11.4
259.20453	1.4
267.15958	37.4
269.17477	36.1
275.16980	1.9
275.20071	41.3
285.16980	66.3
293.21066	3.8
321.17010	1.7
331.22708	3.5
349.23737	39.4
355.22900	2.1
367.24957	4.0
371.17148	1.2
413.21805	2.6
437.24997	1.4
443.28116	3.9
447.27539	8.6
455.26282	1.5
461.29019	34.1
463.30542	1.2
465.28516	23.8
477.27521	1.6
479.30054	88.1
480.30270	3.8
501.32629	1.4
523.34180	2.3
541.35272	18.8
559.36328	44.5
560.36029	1.9
562.19086	1.2
577.37286	11.0
623.34015	4.3
703.40930	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
55.05508	12.2
57.03428	5.8
57.07066	3.4
61.02931	14.1
62.10941	1.4
66.63294	1.3
67.05508	23.0
69.03431	7.5
69.07060	10.1
71.05002	1.8
71.08630	2.0
73.02905	4.9
76.59792	1.2
79.05497	12.2
81.03401	5.6
81.07058	23.4
83.04981	2.0
83.08601	7.4
85.02912	11.7
91.03964	7.4
91.05477	13.0
93.07042	15.0
95.04965	1.7
95.08618	18.3
97.02884	12.9
97.10180	2.6
99.04449	1.4
101.02389	1.6
105.07044	10.5
107.08596	8.6
109.02854	1.9
109.10160	9.0
111.08154	1.3
117.07001	6.7
119.08594	14.4
121.10196	6.0
123.08074	1.5
123.11694	2.8
125.09599	2.0
127.03879	4.1
128.06178	1.8
129.07005	5.5
131.08568	12.9
133.10152	7.6
135.11673	4.1
141.07043	2.5
143.08571	8.4
145.10129	12.7
147.11676	4.9
149.13245	2.2
155.08554	5.1
157.10124	9.2
159.11726	8.2
161.13258	1.9
167.08592	2.6
169.10147	6.5
171.11639	7.4
173.13258	5.0
175.14815	1.7
181.10153	3.0
183.11658	5.3
185.13258	5.0
187.14853	3.3
193.10059	1.4
195.11702	3.1
197.13261	4.4
199.14777	3.8
201.16397	1.9
209.13216	2.5
211.14861	2.5
213.16426	2.8
215.17827	1.4
223.14760	2.2
225.16342	2.9
227.18007	3.0
229.14503	1.5
229.19557	1.9
251.18169	1.5
265.19479	1.8
304.75259	1.3
406.67526	1.4
499.10883	1.3
519.41693	5.2
527.36279	1.9
537.42712	1.7
589.04523	1.5
593.45990	6.1
611.46710	100.0
612.47095	4.5
617.30774	1.4
737.49683	2.4
755.50635	1.7
773.52228	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	773.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.8
55.05276	1.9
55.05517	31.7
57.03442	15.6
57.07064	5.8
61.02933	14.4
65.03939	5.3
67.05508	93.1
69.03432	8.2
69.07073	30.4
71.04985	5.3
71.08628	2.7
71.12795	3.5
73.02901	6.0
74.66242	1.5
79.05498	74.0
81.03431	8.0
81.07063	98.6
83.04978	5.2
83.08629	15.3
85.02907	13.3
85.06505	2.8
91.03963	7.4
91.05486	81.2
93.07051	85.5
95.04971	9.9
95.08615	67.4
97.02890	10.2
97.06536	7.0
97.10156	6.3
98.35331	1.4
99.08100	3.5
101.02370	1.7
103.05440	2.1
105.04542	2.0
105.07039	81.0
107.04893	1.6
107.08597	51.3
109.06544	3.6
109.10158	30.9
111.04433	1.9
111.08116	3.0
115.05444	3.4
117.06207	2.8
117.07011	28.3
119.08590	68.4
121.10149	40.5
123.08060	4.5
123.11728	8.7
125.09617	3.1
127.03928	1.9
128.06235	3.9
129.05522	2.4
129.07007	16.4
130.07790	2.2
131.07596	2.5
131.08578	47.7
133.06514	1.9
133.10141	52.3
135.08055	3.3
135.10699	2.2
135.11693	26.8
137.09634	2.2
141.06993	4.0
142.07770	5.1
143.08578	20.4
145.09061	2.4
145.10139	36.0
147.08012	2.1
147.11705	38.7
149.09618	3.9
149.13261	15.8
151.11264	1.6
155.08556	5.3
156.09410	1.6
157.10139	20.0
159.11707	33.0
161.09653	3.0
161.13263	27.7
163.11189	3.1
163.14851	5.9
166.79602	1.5
167.08551	1.7
169.10091	8.4
171.11702	19.5
173.13275	24.2
175.11157	1.9
175.14819	11.6
177.12712	2.3
179.08623	1.6
181.10135	4.7
183.08090	1.3
183.11752	8.2
185.09561	2.2
185.13292	16.3
187.11224	3.0
187.14801	9.8
189.12711	2.2
189.16376	2.7
193.10028	1.9
193.93246	1.8
194.84773	1.3
195.11700	4.3
195.13741	1.5
197.13290	7.3
199.14804	10.4
201.16420	4.7
203.14375	1.7
207.11629	2.5
209.13249	4.3
211.11275	1.7
211.14836	5.1
213.16397	4.7
215.17989	3.7
217.19600	1.6
223.14873	2.6
225.16521	2.0
227.18010	2.1
229.19514	2.4
231.17479	1.9
231.21107	4.4
235.14920	1.6
239.17914	4.7
241.19533	27.8
243.21054	4.6
257.19000	7.8
259.20593	55.2
261.22104	11.9
267.69510	1.9
275.20227	3.3
277.21619	2.9
283.20538	2.2
285.22156	2.0
289.21674	2.7
295.20236	1.9
297.21808	2.0
301.21686	3.5
311.23438	1.9
313.21619	2.2
315.23123	5.3
325.21600	2.7
333.24237	39.0
335.25818	72.5
337.27307	3.4
367.22693	6.0
371.04892	1.5
375.25391	2.5
385.23669	2.6
395.33163	1.4
403.24814	1.7
441.26385	1.9
501.34814	1.9
501.41309	1.9
503.37927	1.5
515.36774	1.9
519.41846	5.4
537.42896	3.0
541.38470	2.3
557.13782	1.8
593.45673	14.9
594.46448	2.1
609.44885	5.9
611.46729	100.0
612.46936	3.8
623.45801	2.5
635.46539	2.3
677.48077	1.8
689.47894	2.3
701.47418	5.0
719.48273	3.7
737.49554	5.1
755.50281	5.3
773.52130	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	773.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.2
55.05270	2.2
55.05515	32.7
57.03441	16.8
57.07060	3.5
59.48531	1.7
61.02932	12.6
63.03146	1.7
65.03934	4.3
67.05508	90.1
69.03427	9.3
69.07068	31.7
69.57484	12.2
71.04989	4.6
73.02898	6.7
76.06663	1.8
79.05495	73.8
81.03403	8.0
81.07059	94.0
83.04984	3.8
83.08615	13.3
85.02905	11.5
85.06519	5.2
91.03966	4.4
91.05485	75.9
93.07047	83.1
95.04979	9.3
95.08611	68.3
97.02879	7.6
97.06540	6.3
97.10141	4.1
98.21510	2.5
99.04459	3.2
99.08102	4.4
103.05475	2.7
105.04492	2.5
105.07033	66.9
107.04919	2.7
107.08602	45.4
109.06525	5.2
109.10168	29.4
111.08092	4.1
115.05448	3.6
117.07037	23.0
119.08582	60.8
121.06478	4.2
121.10143	34.2
123.08053	2.1
123.11684	6.8
125.09598	2.2
127.03908	3.0
128.06163	3.5
129.07024	18.2
131.08580	37.0
133.10132	45.2
135.08040	4.4
135.11696	28.2
137.09605	3.3
141.06964	5.7
142.07796	3.7
143.08569	15.5
145.10124	32.0
147.11697	39.7
149.09601	3.5
149.13251	16.4
155.08540	9.0
157.10146	15.3
159.11702	28.9
161.13269	31.6
163.11150	3.4
163.14824	7.4
167.08594	4.0
169.10136	9.4
171.11703	15.4
172.18660	2.3
173.09579	2.4
173.13260	22.4
175.11292	3.4
175.14854	12.1
177.12756	2.7
181.10143	2.7
183.11691	7.8
185.13261	18.2
187.14821	8.9
189.16396	3.4
195.11772	3.5
197.13251	7.6
199.14807	9.4
201.16397	4.2
203.14235	2.0
209.13310	4.0
211.14786	4.4
213.12846	2.2
213.16397	5.3
215.17912	3.1
225.12799	2.5
225.16368	3.6
229.19521	2.5
231.20993	4.2
239.17995	4.6
241.19579	22.9
243.21132	5.7
257.19000	7.8
259.20578	53.5
261.22180	11.1
271.20563	2.4
277.21680	3.9
295.20425	2.6
301.21497	2.9
303.20050	1.9
315.23093	4.7
331.22614	2.5
333.24277	37.9
334.24161	2.1
335.25815	86.1
337.27200	4.6
341.24808	1.9
351.25513	1.9
367.22681	5.1
385.23529	3.8
403.25027	2.4
459.27231	2.4
519.41821	4.8
529.39453	2.0
537.42792	2.3
543.40155	2.3
593.45325	13.9
609.44635	4.7
611.46704	100.0
612.46729	3.2
621.44421	2.2
623.46906	3.6
635.46179	3.9
689.47937	2.8
701.47443	6.3
719.48145	6.3
737.49493	5.2
755.50867	4.4
773.51331	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	773.2134
Annotation	Quercetin 3-glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
54.15381	0.1
55.01861	0.1
55.05490	0.2
57.03440	1.7
58.09814	0.1
61.02924	1.8
65.03917	0.2
68.24187	0.1
68.99768	0.3
69.03430	0.6
69.58669	0.2
69.59065	0.5
71.01340	0.2
71.04993	8.6
73.02919	0.7
74.50870	0.1
75.04478	0.7
81.03387	0.4
82.07750	0.1
83.04961	0.7
85.02906	12.2
86.30537	0.1
87.04431	0.2
91.03960	1.0
93.03378	0.3
95.04923	0.2
96.96831	0.1
97.02893	1.5
98.20761	0.2
99.00732	0.1
99.04419	0.3
107.04922	0.1
109.02850	0.4
111.00790	0.6
111.04401	0.4
115.03922	0.1
119.04942	0.2
121.02871	0.8
123.04402	0.2
127.03918	0.7
127.52089	0.1
129.05482	3.0
135.04346	0.1
137.02336	2.4
137.03342	0.1
139.03867	0.5
145.04921	0.5
147.04395	0.5
147.06497	1.0
149.02319	0.3
153.01828	2.7
161.05978	0.2
163.03889	0.6
163.05992	0.1
165.01855	1.5
166.02689	0.1
173.06036	0.2
177.05505	0.1
183.02927	0.6
183.04280	0.2
187.03973	0.2
191.03365	0.1
191.07042	0.2
195.02844	0.1
201.05461	1.2
207.02661	0.1
215.03171	0.1
219.06532	0.3
225.44321	0.1
229.02896	0.2
229.04951	3.4
245.04550	0.1
247.05966	0.7
249.60526	0.1
257.04449	2.2
274.04779	0.6
275.05380	0.2
285.03967	1.1
287.05487	0.3
303.04984	100.0
304.05316	1.6
306.63980	0.1
315.05026	0.2
319.04556	0.3
327.05096	0.2
345.06174	0.7
369.06082	0.2
412.47827	0.1
429.07901	0.2
447.09225	0.1
449.10913	0.4
465.10306	22.1
466.10696	0.6
611.15875	0.3
627.16040	0.2
729.79730	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	773.2135
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01867	0.3
55.05497	0.5
57.03439	2.1
59.04996	0.3
61.02931	2.0
66.77556	0.1
67.05505	0.3
68.99788	0.3
69.03428	1.0
71.01353	0.3
71.04996	11.8
71.44020	0.2
72.05324	0.2
73.02928	1.1
75.04482	0.9
81.03407	0.6
83.04988	2.4
85.02908	18.8
87.04460	0.5
90.39580	0.1
91.03956	1.9
93.03381	0.2
95.04951	0.4
97.02898	2.6
99.00812	0.2
99.04454	0.4
103.03928	0.3
109.02872	0.6
111.00823	0.8
111.04450	1.8
115.03923	0.2
121.02119	0.1
121.02863	0.9
123.04433	0.4
127.03915	1.7
129.05486	6.2
137.02351	2.4
137.03391	0.2
139.03911	0.3
145.04962	1.4
147.04462	0.5
147.06519	3.5
149.02280	0.4
153.01837	2.5
161.05922	0.2
163.03914	0.4
163.06010	1.3
165.01820	1.4
166.02658	0.2
173.06001	0.3
179.03389	0.2
181.01254	0.2
181.05042	0.2
183.02882	0.6
187.03885	0.2
191.03511	0.2
195.02911	0.2
201.05472	1.3
213.07458	0.1
225.07425	0.1
229.04958	3.4
229.07037	0.3
247.06052	0.6
255.05011	0.3
255.08659	0.6
257.04410	2.0
273.09738	0.4
274.04739	0.6
275.05450	0.2
285.03976	1.3
303.04996	100.0
304.05338	1.7
309.11826	0.3
315.05014	0.5
321.09647	0.3
345.05838	0.7
369.06073	0.5
392.27136	0.2
429.10165	0.5
447.11331	0.2
449.10675	0.3
465.10406	1.9
771.80109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	11.4
55.05512	26.4
57.03439	19.0
59.04980	1.9
61.02920	2.9
65.03929	3.0
67.05508	83.8
69.03429	10.1
69.07072	23.4
71.01359	1.6
71.05004	10.0
73.02913	2.1
79.05495	62.2
81.03420	76.4
81.07057	89.6
83.04980	29.6
83.08158	2.3
83.08624	26.1
85.02911	23.1
85.06560	8.0
91.05482	89.8
93.07045	57.9
95.04974	37.1
95.08609	30.3
97.02926	7.7
97.06532	12.8
97.10182	4.7
98.21514	4.7
99.04450	3.3
99.08073	2.9
105.07032	75.0
107.04957	17.9
107.08595	47.2
109.06532	13.0
109.10159	54.0
111.04433	4.1
111.08091	11.6
113.05977	5.1
115.05434	3.8
115.07656	1.9
117.07011	13.0
119.08585	35.2
121.06490	10.1
121.10150	15.2
123.04427	2.0
123.08056	6.5
123.11701	10.7
124.27207	1.9
125.09624	4.5
127.07538	6.3
128.06149	2.1
129.06987	16.2
131.08571	25.8
133.06520	8.3
133.10138	81.8
135.08000	8.6
135.11699	7.3
137.09584	5.0
142.07803	4.5
143.08514	3.7
145.06493	1.8
145.10085	9.0
147.08047	7.3
147.11707	19.6
149.09631	16.4
151.11189	33.4
155.08606	1.9
157.10141	19.3
159.08070	3.9
159.11664	3.5
161.09587	9.2
161.13258	1.8
163.11176	3.9
165.12781	4.5
169.12204	3.6
171.08093	1.8
171.11662	3.7
173.09581	2.2
175.11243	14.5
175.14891	1.9
179.10641	1.6
184.63937	1.6
187.11217	1.7
189.11154	2.3
193.12256	43.7
195.11732	2.0
195.13649	1.9
211.13283	67.2
215.12752	3.4
223.13222	2.5
227.12738	1.9
245.19034	3.9
253.14362	100.0
254.14816	3.6
255.17418	2.6
267.15915	25.2
271.15366	3.6
273.18451	26.1
283.15280	2.2
285.16965	61.3
291.19559	31.2
309.20810	2.1
329.21140	2.1
347.22058	9.3
365.23215	31.4
383.23969	2.2
406.54544	2.0
429.78220	2.0
445.25528	3.5
459.27704	3.3
463.26840	23.3
477.28336	5.2
481.28024	28.7
483.30771	1.8
495.30151	2.0
525.36011	2.7
539.33429	5.8
543.37134	3.1
557.34662	25.2
575.35730	65.5
576.35815	2.8
612.13824	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2135
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01879	0.3
55.05516	0.5
57.03443	2.2
58.33821	0.1
61.02932	2.1
65.03935	0.3
67.05505	0.3
68.99793	0.3
69.03439	1.1
71.01342	0.1
71.05000	12.6
71.39260	0.3
73.02923	1.2
75.04483	0.9
79.97829	0.1
81.03418	0.7
83.04991	2.4
85.02912	19.5
87.04474	0.3
91.03965	1.9
93.03413	0.2
95.04978	0.5
97.02910	1.9
99.04451	0.4
103.03934	0.2
109.02888	0.5
111.00809	0.8
111.04467	1.8
115.03933	0.2
119.04955	0.1
121.02884	0.8
123.04439	0.2
127.03929	1.8
129.05493	6.5
135.04448	0.2
137.02347	2.6
139.03912	0.4
145.04965	1.2
147.04507	0.8
147.06529	3.2
149.02406	0.4
153.01839	2.8
153.03006	0.2
157.04984	0.1
161.06030	0.2
163.03925	0.5
163.06042	1.4
165.01843	1.7
173.06078	0.3
183.02988	0.6
183.04358	0.1
187.03972	0.3
191.03444	0.2
195.02979	0.2
201.05505	1.4
205.05095	0.1
210.25633	0.1
219.02959	0.2
219.06564	0.2
228.04259	0.2
229.04988	3.6
237.07712	0.2
239.03409	0.2
241.05031	0.1
247.06116	0.6
255.05113	0.3
255.08722	0.6
257.04501	2.5
267.26190	0.2
273.09836	0.2
274.04776	0.8
275.05417	0.2
285.03897	1.1
286.04544	0.1
302.04205	0.2
303.05011	100.0
304.05353	1.7
309.11868	0.3
315.04922	0.5
321.09772	0.2
327.04971	0.3
341.06732	0.2
344.99207	0.1
345.06241	0.8
369.06219	0.4
411.07324	0.1
429.10016	0.4
447.09360	0.4
465.10379	1.9
611.15741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	8.0
55.05514	30.3
57.03434	14.1
59.04992	1.9
61.02910	2.9
65.03934	1.7
67.05506	48.2
69.03433	11.7
69.07073	30.8
69.17233	12.5
71.04997	7.1
73.92577	1.1
79.05495	42.0
81.03423	55.1
81.07057	49.7
81.98542	1.2
83.04984	16.2
83.08623	26.9
85.02909	17.9
85.06535	4.5
91.03923	1.6
91.05483	47.7
93.06487	2.3
93.07047	36.5
95.04973	27.1
95.08606	21.0
97.02895	10.0
97.06528	8.0
97.10170	16.2
100.51447	1.1
103.05426	1.7
105.07034	38.3
107.04954	13.4
107.08593	25.7
109.02911	1.3
109.06516	10.7
109.10158	17.9
111.04451	2.6
111.08093	9.0
113.05987	2.1
113.99153	1.0
115.05458	1.8
117.07018	9.6
119.08588	28.5
121.06500	5.4
121.10157	11.9
123.04404	1.3
123.08080	6.2
123.11698	4.8
125.09636	10.9
128.06200	1.9
128.52336	1.1
129.07014	13.1
131.08566	20.5
133.06516	5.3
133.10133	23.2
134.07298	1.3
135.08060	5.4
135.11703	5.8
137.09636	4.1
142.07735	2.4
143.08510	3.1
145.06525	1.7
145.10129	9.9
147.08066	8.9
147.11685	19.4
149.09619	8.3
149.13257	3.4
151.07529	1.3
151.11212	6.3
157.10143	11.9
159.08063	2.0
159.11732	5.6
161.09653	3.6
161.13193	2.3
163.11177	5.1
165.09138	2.3
165.12744	2.2
171.10289	1.3
171.11690	2.3
173.13268	1.3
175.11201	13.3
177.12772	1.5
179.14333	1.2
187.11119	1.6
189.11235	5.1
191.37006	1.1
193.12239	37.6
195.13812	3.1
197.11653	1.4
199.11279	1.1
209.11725	1.6
211.13290	56.4
223.13303	14.9
227.12755	9.5
227.17778	1.4
229.14317	1.4
245.18959	2.2
249.14842	3.5
253.14357	18.1
255.17888	1.2
267.15915	35.1
269.17529	3.0
273.18478	19.8
275.20013	4.7
283.15372	10.8
285.16968	55.3
289.18304	1.8
291.19543	100.0
292.19800	1.7
347.22177	6.2
349.23798	5.3
363.21539	1.9
365.23245	55.6
367.24826	1.4
437.24930	1.4
445.25717	1.7
459.27576	1.6
463.26926	5.0
477.28510	7.1
495.29468	1.9
517.31488	1.7
539.33563	4.5
551.41925	1.3
557.25989	2.0
557.34772	54.6
575.35803	85.6
576.36157	1.6
714.09039	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	16.2
55.05268	2.5
55.05516	34.1
56.75760	1.7
57.03437	17.3
57.07085	2.9
59.05005	2.5
61.39075	1.9
65.03943	6.3
67.05507	86.6
69.03429	13.7
69.07072	28.7
69.07423	3.5
69.73232	10.3
71.04991	10.5
79.05497	73.9
81.02926	3.0
81.03420	76.4
81.07062	100.0
82.08361	2.2
83.04985	30.7
83.08629	34.6
85.02912	25.4
85.06543	7.9
91.05486	97.2
93.07049	67.8
95.04983	43.8
95.08610	33.1
97.02898	7.4
97.06537	11.3
97.10162	7.1
99.04461	2.3
105.07039	82.2
107.04955	19.4
107.08595	46.6
109.06533	16.2
109.10166	54.4
109.10921	2.4
111.04452	5.3
111.08099	15.8
113.06007	4.2
115.05458	3.0
117.07034	12.8
119.04954	3.7
119.08589	45.4
121.06516	11.2
121.10156	18.8
123.04414	2.5
123.08076	11.5
123.11728	12.5
125.09609	3.2
127.07607	2.7
128.06273	3.7
129.07013	21.0
131.08575	29.0
133.06508	8.8
133.09134	4.2
133.10139	79.3
135.08060	11.4
135.11713	10.4
137.09587	6.1
139.07590	2.2
141.06972	2.3
142.07773	5.4
143.08578	7.4
145.06459	3.0
145.10136	17.5
147.08032	11.2
147.11705	23.4
147.20694	2.4
149.09622	18.4
149.13286	5.9
151.11180	27.6
155.08632	3.1
157.10161	18.6
159.08084	3.4
159.11736	9.3
161.09653	9.3
161.13327	4.9
163.07497	2.1
163.11177	6.8
165.12817	5.4
169.12244	6.0
171.11662	5.2
173.09650	4.3
175.11200	19.1
177.09134	4.7
177.12723	3.5
179.10767	3.3
191.10670	3.3
193.12263	46.1
199.11209	2.6
205.12289	2.2
209.11812	3.6
211.13290	64.7
213.16397	2.5
215.12732	4.8
223.13275	3.2
227.12798	5.4
245.19028	4.6
249.14862	2.4
251.12732	2.6
253.14362	68.2
267.15927	39.7
269.17429	6.0
271.15335	2.3
273.18500	34.7
275.20093	6.1
283.15524	15.1
285.16965	57.3
289.17987	3.9
291.19577	52.6
309.20673	5.0
312.21292	2.2
332.85788	1.9
343.22983	2.3
347.22327	16.0
349.23630	4.0
361.82831	2.1
365.23230	44.4
389.23126	2.7
425.30618	2.7
445.25745	4.1
461.25488	2.7
463.26807	32.0
477.28598	18.1
479.13287	2.0
481.27982	17.2
529.35114	2.5
539.33533	9.9
557.34821	55.8
558.34723	2.9
575.35797	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01790	1.7
55.05432	8.4
55.05736	1.9
55.91951	0.4
57.03351	3.5
57.03660	1.1
57.06994	1.5
61.02839	10.8
61.03189	1.9
65.03861	1.3
67.05414	18.6
67.05811	2.5
67.06023	0.9
69.03336	7.1
69.06975	8.2
69.07393	1.2
71.01282	0.7
71.04898	1.9
73.02823	7.0
73.03250	0.9
79.05390	13.2
81.03314	4.1
81.06956	19.6
81.07483	1.9
83.04889	1.6
83.08518	5.4
85.02801	11.0
85.06455	1.2
91.03848	5.5
91.05370	13.4
91.05997	1.1
92.20654	0.5
93.06940	15.1
93.07565	1.0
95.04852	2.5
95.08497	16.5
97.02785	10.0
97.03445	0.7
97.06422	2.1
97.10172	3.5
99.04337	1.2
99.08009	0.7
100.96728	0.5
101.02272	1.8
103.05368	0.9
105.04400	0.5
105.07034	12.7
107.04894	0.9
107.08475	11.8
109.02789	1.4
109.06538	2.4
109.10165	6.9
109.10841	1.0
111.07957	1.3
111.11634	0.5
115.03847	1.0
115.05335	1.5
116.06177	0.5
117.07033	7.6
119.08596	11.6
119.09381	0.8
121.06441	0.7
121.10143	6.8
123.07938	2.0
123.11705	2.2
125.09497	1.5
127.02248	0.5
127.03921	2.4
128.06088	1.8
129.05418	0.6
129.07016	8.4
130.07697	0.8
131.08574	12.1
133.10149	9.0
135.07942	1.2
135.11685	3.8
137.09486	0.9
137.13174	0.7
139.07458	0.6
141.06998	4.7
142.07652	1.8
143.08572	11.3
144.09279	1.0
145.04874	0.8
145.06349	0.5
145.10132	11.6
147.11705	5.5
149.09506	0.9
149.13261	2.5
153.06833	0.6
154.07675	1.1
155.08562	10.2
156.09221	1.3
157.10138	11.0
159.11707	7.9
161.09534	0.7
161.13258	2.6
163.14757	0.7
165.06932	1.1
165.12579	0.5
166.07681	1.0
167.08609	3.9
168.09216	1.4
169.10135	11.3
170.10764	0.8
171.11713	9.3
173.13264	4.5
175.11111	0.6
175.14682	1.8
177.12611	0.9
179.08443	1.9
179.09903	0.4
179.40729	0.4
180.09258	0.9
181.10135	7.2
182.10757	1.4
183.11708	11.9
184.12141	0.5
185.13249	7.3
187.11143	0.5
187.14851	3.4
189.16284	1.4
191.17870	0.4
193.10144	3.1
194.10713	0.9
195.11705	7.7
197.13290	9.4
199.11180	0.6
199.14847	5.5
201.16240	1.9
205.09996	1.0
206.10812	0.8
207.11740	2.3
208.12436	0.9
209.13281	7.1
211.14850	6.2
213.16504	3.0
215.17841	0.8
219.11668	1.0
220.12447	0.5
221.13309	3.0
223.14850	4.3
225.16380	3.2
227.14351	0.5
227.17845	1.8
229.15923	0.6
232.12303	0.5
233.13130	1.6
235.14883	2.7
236.15564	0.5
237.16409	3.5
239.14230	0.6
239.18011	2.2
241.19412	1.3
247.14824	1.1
248.15665	0.6
249.16270	1.7
251.18042	2.2
253.19588	0.9
255.17168	0.7
257.18997	0.8
259.20459	0.5
261.16174	0.8
262.97818	0.5
263.17850	0.9
265.19482	1.3
267.20920	0.7
271.20386	0.5
275.17780	0.6
277.19397	1.4
279.20901	0.8
281.22784	0.7
283.20398	0.9
291.20834	0.9
295.20447	0.6
299.20203	0.5
307.20444	0.7
307.23849	0.6
309.22040	0.9
311.23639	1.1
321.22012	1.1
323.23416	0.9
327.23294	0.5
335.23550	1.3
337.25204	1.0
339.26749	0.9
347.23645	0.9
349.25040	0.9
351.26663	1.1
361.25409	0.7
363.26874	1.0
365.28531	1.1
369.27954	0.5
377.28333	0.9
379.26004	0.8
379.30261	0.7
391.29709	1.2
393.31830	0.6
405.31699	0.6
407.29034	0.8
421.30795	0.8
433.30609	0.7
435.31918	0.5
447.32501	0.8
449.34442	0.8
461.34317	0.6
487.34280	0.6
499.39307	0.8
501.35721	0.6
513.35974	1.3
515.37231	0.7
517.40466	5.3
525.35773	0.8
527.37329	1.5
535.41968	2.6
539.37201	1.8
540.38464	0.5
541.39221	1.0
545.38879	0.9
553.40149	0.5
555.41748	0.6
567.40619	1.0
573.42938	1.2
591.44165	8.3
592.44727	0.7
607.43494	2.3
609.45160	100.0
610.45502	3.7
621.45343	1.6
633.44836	0.6
651.45923	1.2
675.46484	0.8
693.47467	0.6
699.46704	1.2
717.47333	1.6
735.48126	1.5
753.49152	2.3
771.50458	24.0
772.50751	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.8
55.02043	0.7
55.05384	6.1
55.05691	3.8
57.03307	2.7
57.03630	1.5
57.06974	0.7
59.04881	0.4
61.02790	9.9
61.03145	4.7
65.03809	0.9
67.05361	14.2
67.05765	5.8
69.03281	5.2
69.03701	1.9
69.06923	7.0
69.07348	2.7
69.17227	3.6
71.01255	0.6
71.01582	0.4
71.04843	1.2
71.08526	0.4
73.02766	5.4
73.03226	1.9
77.03809	0.5
77.49819	0.4
79.05334	10.3
79.05851	2.8
81.03255	3.0
81.06896	15.5
81.07430	3.8
83.01247	0.3
83.04843	1.2
83.08455	3.7
83.09023	1.0
85.02739	9.6
85.03316	2.3
85.06384	1.1
85.06855	0.5
89.02651	0.4
91.03785	5.3
91.04408	0.8
91.05309	9.7
91.05943	1.9
93.06871	12.3
93.07530	2.3
95.04781	1.6
95.08432	13.5
95.09109	2.5
97.02715	8.3
97.03416	1.4
97.06366	1.5
97.09981	1.5
99.04336	0.9
99.07955	0.4
101.02194	1.8
105.04375	0.5
105.06848	11.4
105.07635	1.7
107.04830	0.4
107.08405	7.5
107.09200	1.0
109.02694	1.0
109.06341	1.0
109.09966	6.3
109.10772	0.8
111.07943	0.5
115.03792	0.4
115.05296	1.0
117.06820	6.2
119.08381	10.9
119.09318	1.2
121.09941	6.0
123.07918	0.4
123.11520	1.7
125.09500	0.7
127.03709	2.3
128.06020	2.0
129.05353	0.6
129.06802	8.1
129.07826	0.8
130.07654	0.7
131.08366	10.8
131.09406	1.0
133.09918	8.4
133.10995	0.6
135.07910	0.5
135.11496	4.7
135.12599	0.5
137.13080	0.9
141.06778	3.3
142.07565	2.0
143.08348	10.2
143.09547	0.9
144.09213	0.6
145.04771	0.6
145.09909	9.6
145.11139	0.9
147.11469	3.5
149.09459	0.6
149.13022	1.7
153.06842	1.0
154.07516	1.1
155.08334	8.3
156.09146	1.1
157.09904	9.9
158.10716	0.6
159.11700	6.7
161.09438	0.5
161.13242	2.7
163.11003	0.6
163.14687	0.7
165.06792	0.9
166.07578	1.1
167.08577	3.7
168.09142	1.1
169.10136	11.9
169.11444	0.5
170.10756	0.7
171.11699	10.2
171.13040	0.5
173.09479	0.7
173.13268	4.7
174.94820	0.4
175.14629	1.5
177.16208	0.6
179.08336	1.4
180.09149	0.8
181.10146	6.3
182.10645	1.3
183.11719	10.6
184.12242	0.8
185.13286	6.1
187.14816	3.0
189.16182	0.9
191.08464	0.5
192.09128	0.5
193.10164	2.0
194.10756	0.6
195.11713	6.2
196.12294	0.7
197.13272	7.4
199.11053	0.4
199.13281	0.8
199.14832	4.9
201.16193	1.5
203.17909	0.5
205.09995	1.1
206.10692	0.9
207.11713	2.7
208.12326	0.8
209.13280	6.7
211.14812	4.8
213.16428	2.3
215.14124	0.6
215.17792	0.7
217.09946	0.4
219.11494	0.9
220.12376	0.5
221.13336	2.7
223.14836	4.2
225.12759	0.4
225.16403	2.6
227.15984	0.7
227.17824	1.3
229.19414	0.5
233.13019	1.1
235.14879	2.0
236.15248	0.4
237.16411	2.3
239.18082	2.2
241.19427	1.2
245.13069	0.6
247.14746	0.8
249.16158	1.4
251.17694	1.4
253.19603	0.7
261.16125	0.8
265.19409	1.0
267.21072	0.7
269.18695	0.4
271.20416	0.5
274.16754	0.4
277.19336	0.7
279.21002	0.7
281.19131	0.4
283.20328	0.4
285.18497	0.6
285.21786	0.4
293.22464	0.7
295.20236	0.6
297.22076	0.6
299.20065	0.5
307.20419	0.4
307.24030	0.4
309.21872	0.8
311.23727	0.5
321.21976	0.9
323.23398	0.8
325.21536	0.7
325.25140	0.6
327.22971	0.5
335.23132	0.7
337.24966	1.2
339.23181	0.8
339.26898	0.6
349.24780	0.7
351.26907	1.9
361.24792	0.5
363.26700	0.7
365.24188	0.4
365.28311	0.9
367.26273	0.6
377.28391	0.6
391.30112	0.6
405.31262	0.4
407.29172	0.9
419.28778	0.6
429.31012	0.4
431.64471	0.4
447.32538	0.7
459.31534	0.4
461.33206	0.5
465.33939	0.5
475.34534	0.8
487.34357	0.6
499.39374	0.7
501.35809	1.0
513.35809	0.5
515.37598	1.1
517.40387	5.8
521.36353	0.5
523.37347	0.4
525.35553	0.7
527.37280	1.3
535.41882	2.7
539.37244	1.8
540.38068	0.7
541.39203	1.0
553.42383	0.4
573.43268	0.9
591.44128	6.8
607.43549	2.2
609.45172	100.0
610.45697	4.4
611.46851	1.4
621.45251	1.0
633.44812	0.9
651.46497	0.5
660.67188	0.4
675.46130	0.5
699.46008	0.4
717.46942	0.6
735.48596	1.1
753.49194	1.3
771.50549	21.4
772.50330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2338
Annotation	Isorhamnetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)glucoside
Peak:m/z	Relative Intensity
55.05497	0.8
57.03436	2.0
61.02926	1.4
69.03415	0.8
69.22669	1.8
71.01343	0.2
71.04996	12.8
73.02921	1.2
75.04475	0.7
83.04980	3.5
85.02909	16.7
87.04460	0.3
91.03960	0.9
92.02658	0.2
93.03371	0.2
95.04948	0.4
97.02898	0.9
97.06547	0.2
98.21523	0.4
99.04465	0.5
100.65863	0.2
105.07031	0.2
111.03723	0.2
111.04443	2.4
113.05997	0.3
117.05496	0.3
117.25915	0.2
121.02854	0.6
123.04396	0.2
127.03919	0.9
129.05493	5.5
139.03957	1.0
145.04950	0.4
147.06525	2.1
151.03891	0.7
153.01845	3.8
153.05464	0.8
163.06042	0.7
165.01859	0.2
183.02968	0.2
199.93617	0.2
201.05475	0.4
201.07578	0.3
201.34622	0.2
203.03343	0.3
217.04994	0.4
218.05849	0.3
228.04225	0.8
229.04970	1.6
239.09111	1.2
245.04549	0.5
246.05193	1.1
255.08586	0.3
257.04404	1.7
257.10175	0.4
258.30008	0.2
260.03250	0.3
273.03958	0.8
274.04742	2.6
275.11249	0.4
284.03162	0.2
285.04001	3.5
286.04529	0.2
287.05478	0.4
302.04230	10.0
317.06564	100.0
318.06812	1.8
329.06558	0.6
359.07489	0.7
383.07455	0.2
463.12433	0.5
479.11722	1.5
732.08502	0.2
775.15485	0.3
802.06677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.7
57.03416	3.8
57.07084	2.2
67.05512	38.3
69.07061	9.5
69.79844	5.1
69.80236	4.5
79.05148	2.3
79.05501	24.6
81.03404	4.3
81.06603	2.6
81.07065	41.7
83.04968	3.1
83.08617	7.5
85.02886	3.6
85.06531	4.2
91.05497	24.7
93.07047	40.2
94.00603	2.3
95.08606	16.9
97.06547	3.8
97.10162	2.6
105.07037	26.1
107.04982	2.4
107.08591	26.1
109.06530	2.5
109.10158	6.7
111.08073	4.1
115.80174	1.9
117.07002	10.1
119.08587	24.7
121.10157	17.0
123.08213	1.9
123.11666	2.7
129.07005	4.7
131.08615	14.6
133.10135	22.1
135.08052	2.9
135.11723	11.5
143.08522	2.6
145.10097	9.7
147.11693	25.8
149.09525	2.4
149.13268	19.8
151.11200	3.1
154.47156	2.3
157.10121	3.2
159.11708	17.8
161.13263	18.4
171.11719	4.8
173.13248	6.9
175.14841	6.7
177.12750	6.0
183.11662	2.4
185.13261	6.6
195.13892	11.9
199.14876	4.6
231.21002	4.8
234.23070	2.4
241.19528	27.4
259.20581	71.4
267.15854	12.4
269.17496	100.0
315.23209	4.9
333.24261	53.6
333.28198	2.8
334.24811	2.5
435.32358	4.6
453.33203	3.4
471.34805	2.8
509.36383	2.5
527.37408	81.7
528.37311	3.6
545.38428	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53722	2.1
55.05524	10.5
55.09328	2.3
57.03433	6.3
61.02904	4.0
61.14425	2.2
65.03954	2.9
67.05181	2.7
67.05512	35.9
69.07061	10.9
69.85561	9.5
71.04990	3.5
77.76152	2.0
79.05504	29.2
81.03425	6.1
81.06598	3.0
81.07062	49.0
82.07397	2.2
83.04992	2.4
83.08620	9.6
85.06543	4.3
91.05484	38.2
93.07048	41.4
95.04973	5.1
95.08615	18.0
96.63877	2.0
97.02892	2.9
97.06522	8.4
105.07033	27.4
107.08589	24.7
109.10165	7.1
111.08097	3.8
114.54761	2.1
117.07018	11.6
119.08600	21.8
121.10143	14.5
123.11717	7.7
129.07036	4.0
131.08592	11.9
133.10150	34.3
135.08018	2.6
135.11690	17.1
141.20886	2.3
143.08563	5.2
145.10144	8.5
147.11699	25.0
149.13298	19.8
157.10153	3.6
159.11671	13.0
161.13277	16.9
171.11716	5.4
173.13280	5.1
175.14812	5.0
177.12793	4.9
185.13231	4.6
195.13800	20.8
195.46556	2.3
199.14845	3.5
207.26015	2.2
211.59378	2.0
231.17473	2.8
231.21104	5.2
240.16132	2.6
241.19470	22.0
253.14325	2.4
259.20602	78.4
267.15933	9.3
269.17493	100.0
270.17627	2.6
315.23169	5.7
330.38470	2.8
333.24246	91.9
385.23434	2.5
386.43872	2.6
435.32739	3.5
453.33914	2.6
469.52911	2.4
471.34665	2.5
475.91638	2.2
527.37360	71.4
545.30634	2.5
545.38409	30.7
608.45551	2.7
770.50317	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	770.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	3.4
55.05509	11.5
57.03426	7.7
58.73039	2.1
67.05502	31.0
69.07069	9.4
71.05000	4.8
71.33594	2.7
73.83099	2.1
79.05497	23.9
81.03426	24.6
81.06654	2.8
81.07065	31.8
83.04967	6.6
83.08607	13.9
85.02906	6.3
90.54796	2.6
91.05481	21.5
93.07036	23.5
95.04958	9.0
95.08611	24.1
97.02887	4.9
97.06505	3.9
97.10150	3.4
105.07016	16.8
107.04971	4.4
107.08597	15.2
109.06501	4.4
109.10155	7.1
111.08106	4.9
117.07001	3.5
117.40375	2.3
119.08556	15.0
121.09345	2.4
121.10083	11.2
123.11702	4.1
125.09643	3.6
129.06989	7.4
131.08560	7.9
133.10088	13.5
135.11700	5.1
142.52950	1.9
143.08574	2.5
145.10088	5.5
147.11658	12.4
149.09619	5.3
149.13226	5.4
155.73643	2.4
157.10104	5.0
159.11705	3.7
163.11143	2.9
173.13272	3.5
175.11226	9.2
193.12221	37.2
211.13292	82.5
211.15311	5.0
227.41733	2.2
243.21164	3.6
261.22144	15.2
262.25635	2.6
267.15875	17.9
269.17307	3.6
285.16977	100.0
317.24603	4.5
335.25793	93.9
336.26471	2.8
435.32813	3.3
471.34210	2.6
478.55600	2.5
527.37567	12.7
545.38324	87.9
546.38409	4.1
770.49988	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	770.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.0
57.03435	7.2
64.84351	2.4
67.05505	30.1
69.03429	4.3
69.07072	9.3
69.22395	10.8
69.22823	15.2
79.05508	23.0
81.03431	27.9
81.07069	33.6
82.02721	2.4
83.04983	5.7
83.08624	10.9
85.02922	10.3
91.05484	20.4
93.07068	22.9
95.04957	13.1
95.08620	23.3
97.02893	2.6
105.07034	17.6
107.08601	19.3
109.10157	9.6
111.08109	6.1
117.07061	5.0
119.08575	16.5
121.06450	2.7
121.10138	8.1
123.11688	3.1
129.07018	4.8
131.08583	8.5
133.10158	7.5
135.11693	6.2
143.08656	3.3
145.10147	5.4
147.11694	11.7
157.10121	6.2
159.11731	3.2
161.13242	3.1
173.04405	2.4
173.13280	4.9
175.11226	5.4
193.12257	26.9
211.13304	52.6
243.21133	4.8
261.22165	10.1
267.15927	16.3
285.14310	1.7
285.16953	73.5
335.25833	100.0
350.28598	2.8
527.37347	21.8
543.01239	2.6
545.38422	95.4
557.75549	2.9
608.44092	5.0
770.50372	13.9
789.16541	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	770.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01672	1.2
55.01877	15.6
55.05513	29.4
57.03450	8.8
57.07053	2.3
57.40949	1.3
61.02918	2.7
65.03941	2.3
67.05512	82.5
68.05824	1.5
69.03443	6.6
69.06736	2.5
69.07075	32.3
69.33090	12.4
71.04993	5.1
73.06541	2.5
79.05502	100.0
80.38438	1.3
81.02986	2.0
81.03425	22.4
81.07064	79.6
83.04987	19.8
83.08626	15.4
85.02902	4.8
85.06529	5.3
91.05491	83.1
93.07053	96.0
95.04982	23.1
95.08614	46.8
97.02882	5.3
97.06540	23.3
97.10157	11.6
99.04449	2.1
99.08086	2.4
103.05467	2.2
105.04507	3.4
105.07038	69.3
107.04969	15.8
107.08604	46.1
109.02872	2.3
109.06523	10.4
109.10168	14.2
111.04430	1.8
111.08083	5.0
113.09667	1.3
115.05452	2.5
116.05138	1.3
117.07031	21.4
119.08596	41.6
121.06490	6.1
121.10146	15.2
123.08054	7.6
123.11690	1.7
125.09668	7.6
127.03925	3.0
127.07562	1.5
128.06248	3.3
129.07019	26.3
130.07800	2.6
131.08577	15.8
133.06487	2.8
133.10155	31.7
135.08095	6.8
135.11720	15.7
137.09599	2.5
141.06967	1.8
142.07770	2.3
143.08575	14.4
145.06549	1.4
145.10139	24.6
147.08060	3.7
147.11700	44.6
149.09613	14.6
149.13297	6.6
151.11137	2.1
155.08559	3.1
157.10147	4.0
159.11716	13.4
160.02510	1.4
161.09627	6.7
161.13251	16.2
163.11188	12.3
169.10149	3.0
171.10280	3.1
171.11696	29.2
173.04489	3.1
173.13258	4.8
177.12761	4.6
179.14291	3.5
183.11694	2.6
187.11174	2.2
187.14900	1.9
189.11238	4.0
189.12756	10.1
193.12376	1.5
195.13866	3.3
197.13304	1.6
207.13828	30.8
225.14781	1.8
227.12801	22.1
229.19519	3.0
233.15532	2.2
239.17863	3.0
247.20650	1.6
253.14363	3.1
255.15976	5.8
257.19016	13.6
267.15894	2.4
269.17474	14.3
273.18262	1.4
275.20093	40.4
279.15970	1.7
281.17505	92.5
283.15338	2.5
291.19601	1.7
293.21133	3.1
331.22552	3.2
349.23767	33.3
365.23126	1.9
377.23438	3.1
435.27481	6.4
451.26611	8.0
459.31088	4.2
461.29062	26.0
475.30612	99.9
476.30826	2.6
515.32819	1.7
537.35651	5.4
555.36902	74.8
556.37225	2.5
573.38446	9.8
619.34802	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	770.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61752	0.8
55.01868	4.5
55.05267	1.2
55.05513	16.8
57.01597	0.9
57.03438	7.1
57.07064	1.6
61.02924	1.3
64.39068	0.8
65.03932	3.4
67.05503	56.2
69.03439	4.4
69.07068	18.6
71.04986	4.2
71.29461	1.6
73.02901	1.3
73.06557	0.9
77.03925	1.1
79.05492	63.7
81.03411	12.3
81.07054	55.3
83.04977	11.1
83.08618	10.0
85.02894	2.5
85.06536	3.5
91.05480	49.6
93.07043	60.4
93.18304	0.8
94.07351	1.2
95.04966	14.7
95.08607	28.3
97.02893	2.7
97.06528	10.3
97.10180	4.3
99.04458	1.2
99.08074	2.7
103.05442	1.6
105.04515	3.2
105.07027	39.1
107.04957	8.7
107.08596	27.5
109.06532	6.6
109.10156	7.2
111.08074	2.6
115.05405	1.2
117.07015	12.4
119.08585	25.2
120.08990	0.8
121.06525	4.0
121.09357	0.9
121.10156	11.6
123.08091	4.9
123.11713	2.3
125.09618	1.4
127.03920	1.3
128.06197	2.1
129.07007	11.9
130.07796	1.1
131.08563	10.7
133.06439	1.3
133.10127	15.4
135.08029	3.4
135.11674	9.4
137.09596	1.2
141.06999	1.2
143.08575	7.5
144.09319	1.2
145.10117	10.6
147.08018	2.4
147.11699	23.8
149.09639	4.4
149.13246	7.2
151.11142	1.1
153.82162	0.8
155.08583	1.6
156.09357	1.2
157.10126	2.1
159.11690	8.1
161.09637	4.2
161.13268	8.1
163.11211	5.0
169.10103	1.4
171.11685	17.8
173.04401	1.3
173.13237	2.0
175.11096	1.2
177.12720	2.5
179.14270	0.9
181.09856	0.8
183.11710	1.2
187.11194	0.9
189.12764	6.2
195.13774	2.4
207.13802	15.6
225.14786	1.0
227.12856	1.8
253.14369	2.6
255.15895	5.4
257.18976	4.2
267.16025	1.2
269.17453	15.7
275.20068	13.0
281.17459	39.4
293.21008	1.0
331.22641	1.3
345.88330	1.2
349.23688	9.1
367.24835	2.6
413.21860	1.3
435.27216	1.3
451.26703	2.5
457.29398	1.4
461.28943	19.9
462.28961	1.1
475.30563	100.0
476.30688	2.6
537.35590	2.4
543.37146	1.3
555.36829	20.9
556.36829	1.0
573.38293	4.8
619.34729	2.6
635.78845	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
55.05519	3.8
57.03434	3.4
57.07065	0.9
57.88768	0.9
58.53250	1.2
62.58836	0.9
67.05511	15.7
69.07069	6.6
71.04990	1.3
76.85728	1.1
79.05497	12.0
81.07063	16.7
82.91070	0.9
83.08635	5.4
85.02874	0.9
91.05502	6.5
93.07050	21.6
95.04993	2.2
95.08610	18.7
97.06551	1.5
97.10190	1.4
105.07049	5.8
107.04986	2.5
107.08616	11.6
109.10154	4.8
117.07028	3.4
119.08614	5.9
121.06491	1.3
121.10154	8.8
131.08585	3.0
133.10126	2.8
135.11690	21.1
137.09552	1.0
145.10133	9.5
149.13304	1.9
163.11183	24.1
163.14760	1.2
181.12299	3.6
187.14835	1.0
192.53168	1.1
208.11745	1.0
209.11758	1.1
227.12804	42.0
261.22110	10.1
283.15408	67.4
284.15701	1.2
317.24677	1.3
335.25824	100.0
336.26126	1.8
434.71402	1.1
463.57211	1.0
543.36865	82.6
544.37000	2.6
561.37500	1.3
609.45459	2.5
768.48969	7.8
774.69861	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.8
55.05524	15.1
55.23087	1.5
57.03429	7.5
61.02925	5.8
65.03943	12.6
65.37609	1.6
67.05509	35.7
69.03441	15.7
69.07072	15.7
71.04997	5.9
71.26335	4.1
73.02912	7.3
79.05495	33.0
80.83038	1.7
81.03426	24.3
81.07065	32.2
83.04985	9.4
83.08648	10.2
85.02909	11.6
85.06541	2.8
90.53378	1.6
91.03946	2.6
91.05482	34.2
93.07051	29.6
95.04977	9.0
95.08617	29.0
97.02905	13.4
97.06527	4.0
97.10172	6.7
99.04459	2.4
99.08063	2.7
105.07037	27.0
107.04953	4.9
107.08605	18.6
109.02894	4.9
109.10171	13.2
111.08077	2.7
117.07022	12.4
119.08591	21.3
121.02924	2.5
121.06504	3.0
121.10144	14.1
123.08048	2.7
123.11729	2.2
125.09643	2.6
127.03928	4.2
128.06247	4.6
129.05464	4.0
129.06998	13.7
131.04991	1.9
131.08582	18.2
133.10132	12.8
135.08070	3.7
135.11699	3.5
139.03891	2.6
141.06990	6.8
142.07777	4.6
143.08557	12.3
145.10121	15.8
147.08002	3.4
147.11691	11.2
149.02357	93.1
149.03442	7.6
149.09659	4.1
149.13268	2.1
153.07033	2.0
154.07782	2.1
155.08575	9.5
156.09418	3.5
157.10159	11.5
159.11678	12.6
161.09630	2.4
161.13277	4.1
163.11189	3.7
163.14835	1.8
165.07042	2.3
166.07832	2.5
167.08585	5.2
169.10152	11.5
171.11652	12.1
173.04488	8.3
173.09676	2.3
173.13307	5.2
175.04002	1.9
177.36659	1.9
179.08577	3.8
181.10118	6.3
183.11691	9.6
185.09680	2.1
185.13237	6.2
187.14845	3.8
189.16492	1.6
193.04984	100.0
193.10164	4.9
194.05405	3.5
195.11723	9.9
197.13252	9.0
199.11224	2.0
199.14893	4.9
207.11803	3.7
209.13266	7.7
211.14877	3.9
213.16373	4.0
219.11671	3.6
221.13295	6.1
223.14844	6.7
225.16388	4.8
235.14824	3.4
237.16441	5.3
239.17992	2.3
241.19608	2.0
249.16418	3.5
249.53766	1.7
257.18976	2.4
261.16290	2.1
263.17758	2.7
273.18457	2.1
275.20248	8.1
297.18262	1.9
313.21924	2.7
325.21698	1.8
339.23282	2.5
341.06406	2.1
349.23752	3.5
367.22800	2.5
385.09122	6.0
385.23932	2.3
459.27176	2.4
513.36005	3.2
515.38696	6.3
533.40057	1.9
589.43042	2.7
605.41437	2.0
607.43634	60.1
625.44287	4.0
649.44952	2.3
671.42346	3.4
697.43939	2.0
715.46149	2.5
733.46869	4.2
751.46851	6.0
769.18121	13.5
769.48920	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	768.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80204	1.8
55.01875	3.0
55.05505	5.1
57.03453	2.3
67.05509	17.1
69.07081	3.9
70.18412	7.2
71.04967	2.8
79.05507	16.9
81.03416	5.0
81.07066	14.6
83.04954	2.2
83.08591	3.6
84.47738	1.8
89.01735	1.7
91.05482	6.9
93.07063	16.1
95.04955	3.4
95.08621	23.7
102.13577	2.0
105.07039	4.1
107.04986	4.1
107.08614	13.6
109.10159	6.7
117.07028	3.2
119.08576	6.6
119.80833	1.8
121.10172	7.9
125.06036	2.2
133.10173	4.2
135.08092	2.0
135.11693	19.8
145.10141	13.1
163.11227	26.3
181.12271	6.4
209.11789	2.9
227.12811	54.1
261.22195	8.0
267.15808	2.1
268.16943	2.2
283.15424	100.0
313.27252	2.5
317.25043	2.2
335.25815	86.8
375.41907	1.9
543.36835	69.9
544.36499	2.2
545.00220	2.0
625.14801	2.2
652.38287	2.5
768.48077	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	767.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.4
55.05518	13.0
57.03220	1.1
57.03449	10.1
57.07060	1.4
57.54788	1.1
61.02942	2.3
65.03939	4.1
67.05511	40.1
67.25989	1.3
69.03437	39.7
69.07077	12.9
69.80087	5.4
71.01360	1.6
71.05006	10.1
73.02924	2.7
76.90543	1.3
79.05066	2.0
79.05504	30.6
81.03427	100.0
81.07066	51.8
83.04556	1.8
83.04996	22.0
83.08627	15.7
85.02442	1.7
85.02917	22.7
85.06519	2.9
91.05491	41.3
93.06481	2.3
93.07055	38.4
95.01304	1.4
95.04987	22.4
95.08618	19.2
96.93865	1.2
97.02299	1.9
97.02908	28.2
97.06537	10.2
97.10178	2.9
99.04472	12.0
99.08089	4.0
101.02383	2.9
103.03929	2.0
103.05484	1.9
105.06392	2.1
105.07044	25.0
107.04965	10.1
107.08601	17.9
109.02887	27.4
109.06499	5.4
109.10150	4.4
111.04444	9.4
111.08098	5.6
113.05990	1.7
115.05465	2.6
117.07037	8.9
118.06654	1.2
119.04978	2.3
119.08586	17.0
121.06501	5.4
121.07298	1.2
121.10149	12.5
123.04472	5.6
123.08072	3.3
123.11697	5.3
125.02386	1.2
125.09611	3.7
127.03938	21.8
128.06236	2.0
129.05499	3.2
129.07014	8.6
131.04945	2.7
131.08598	12.2
133.06517	5.5
133.10146	11.9
135.04428	2.1
135.08073	4.1
135.11720	6.3
135.43361	1.2
137.05945	1.9
137.09656	2.1
139.03915	7.0
141.07013	2.3
142.07768	1.7
143.08536	3.0
145.05060	1.3
145.06487	3.1
145.10135	4.9
147.04404	3.6
147.08061	3.4
147.11722	15.8
149.06021	2.0
149.09628	4.1
149.13272	11.9
151.03873	2.4
153.12781	1.5
155.08580	1.8
157.06445	1.9
157.10144	9.9
159.08046	1.9
159.11720	6.7
161.06010	2.9
161.09596	1.6
163.03961	3.1
163.07539	1.4
163.11177	4.4
165.12764	6.0
169.04947	1.6
171.08022	2.1
171.11729	1.5
173.04465	9.7
173.05896	2.6
173.13309	1.2
175.07448	1.6
175.11226	6.6
177.05434	1.9
177.12758	4.9
177.22363	1.2
181.10080	1.4
181.12241	1.4
183.06546	2.1
183.69626	1.1
189.05530	1.8
191.10703	2.5
193.12257	20.6
195.13841	5.7
209.13388	1.3
210.71768	1.1
211.13306	31.1
213.12869	1.6
213.14804	2.3
213.56551	1.1
215.07407	1.3
225.12798	1.2
227.12761	3.7
229.14296	3.1
249.14867	2.7
253.07109	2.2
257.15253	2.3
267.09213	1.9
267.13757	1.3
267.16013	12.5
269.17566	13.6
273.14783	2.2
275.16446	2.9
277.14148	1.5
285.10156	2.8
285.17252	6.1
301.14392	4.1
303.15872	3.0
305.17398	1.7
319.15536	1.6
321.17130	3.1
327.15747	2.1
337.16537	3.3
339.18292	6.2
355.17712	5.6
367.11902	1.7
375.17963	1.8
377.19516	1.8
393.19009	2.7
395.20700	9.1
411.20068	6.8
413.21585	5.2
430.18738	5.9
461.29068	8.6
465.19577	1.6
479.30035	10.1
495.29501	1.5
569.31268	1.4
571.31329	1.4
587.32196	3.8
605.33252	9.0
623.33801	6.5
689.36731	1.1
713.35016	1.3
731.35620	3.9
749.37604	5.8
767.38049	31.0
770.73535	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.0
55.05520	13.7
55.10727	2.3
57.03437	14.8
57.07079	38.4
67.05502	24.2
69.03416	5.5
69.07067	12.0
71.04971	3.9
71.08621	24.9
71.54503	4.1
73.02911	4.5
79.05490	13.6
81.03422	68.6
81.07058	33.9
83.04958	6.0
83.08619	22.1
85.02917	3.4
85.10198	12.9
89.06053	3.6
90.22386	2.1
91.05488	13.7
93.07040	8.9
94.44304	2.2
95.04968	22.4
95.08612	26.1
97.02883	2.7
97.06537	3.8
97.10159	8.4
105.07024	18.7
107.04941	7.0
107.08608	7.0
109.02873	9.0
109.10143	14.0
111.04436	7.8
111.08104	5.0
115.05404	2.6
115.20113	3.0
117.07027	3.6
119.08578	12.7
121.06540	3.7
121.10130	6.7
123.04395	3.1
123.08084	2.0
123.11689	7.3
127.03904	2.3
128.06247	3.0
129.06978	6.2
131.08566	9.8
133.06483	2.4
133.10130	5.8
135.07993	2.3
135.11594	2.9
142.07851	2.5
143.08531	4.8
145.10130	5.1
146.08073	2.7
147.08090	2.8
147.11697	6.8
149.09645	5.4
153.86830	2.0
156.44356	2.1
157.10127	9.1
163.11285	2.7
175.11208	7.8
176.96490	2.2
182.10852	2.2
184.07347	2.4
191.00209	3.5
193.12244	28.3
205.07277	2.3
210.73535	2.1
235.13277	5.1
239.23752	8.0
267.15918	94.7
273.18375	2.6
277.14279	4.0
309.17004	5.0
313.27377	100.0
314.27701	6.4
322.87762	2.3
465.25278	3.5
493.17319	20.9
505.38940	75.8
506.38715	3.2
539.28333	10.4
547.39825	5.1
586.45343	3.8
737.37299	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	766.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37556	1.8
53.63352	1.5
55.01873	4.1
55.05510	16.1
57.03446	20.5
57.07079	44.2
62.97091	1.9
65.03951	2.0
67.05506	32.2
67.16229	1.8
69.03428	5.8
69.07069	13.2
71.01317	1.9
71.08635	32.1
73.02897	5.0
76.29304	1.8
79.05494	17.0
81.03422	96.5
81.07058	33.4
81.39401	1.8
83.04996	6.1
83.08620	26.6
85.02926	4.7
85.10183	15.8
89.06016	2.0
89.80754	1.8
91.04983	2.2
91.05489	20.3
93.07059	14.7
95.04975	30.9
95.08608	29.4
97.02925	4.4
97.06528	3.6
97.10186	8.1
99.04449	4.4
103.07596	2.1
105.07017	14.2
107.04977	9.7
107.08604	7.7
109.02885	5.4
109.06532	4.5
109.10166	16.5
110.03662	3.3
111.04432	6.9
111.08070	4.2
117.07009	4.1
119.08588	13.0
121.10117	6.6
123.04433	4.6
123.08073	2.3
123.11707	4.0
127.03926	3.5
129.07002	9.3
131.08611	10.3
132.99599	2.4
133.06551	2.9
133.10144	6.8
140.11896	1.8
142.07829	2.7
145.10126	3.8
146.08122	3.0
147.08052	3.0
147.11713	8.8
149.09636	5.9
157.10152	11.3
163.11166	3.3
165.12833	2.3
172.99030	2.0
175.11186	10.0
183.56776	2.0
184.07341	4.6
193.12257	33.8
211.13289	3.8
235.13255	6.3
239.23709	5.5
249.14813	3.3
267.15930	100.0
277.14484	3.7
304.26266	2.7
309.17059	4.4
313.27368	98.9
327.29019	9.5
331.28430	2.8
493.17477	23.5
505.31360	3.7
505.38898	76.6
514.50543	1.9
519.40442	7.9
539.28973	15.2
547.39862	6.2
613.41058	2.7
643.13678	2.1
740.48602	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	763.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01865	0.5
55.05503	1.0
57.03437	1.8
60.68476	0.2
61.02928	5.0
67.05505	5.1
69.03428	3.0
69.07069	1.2
71.01331	0.4
71.04991	3.2
73.02918	3.5
75.04483	0.3
79.05494	3.2
81.03414	1.6
81.07056	5.8
81.64748	0.2
83.04990	0.4
83.08642	0.7
85.02908	4.8
85.06566	0.3
87.04482	0.4
91.03964	2.8
91.05485	2.8
93.07046	3.5
93.07577	0.4
95.04977	0.5
95.08599	2.6
96.59304	0.3
97.02889	4.1
97.06533	0.6
97.10144	0.4
99.04446	0.7
101.02390	1.9
103.03925	0.3
105.07025	1.5
107.08606	2.4
109.02908	0.7
109.06528	0.3
109.10181	1.1
115.03965	0.3
115.49635	0.2
117.06983	0.4
119.08609	0.5
121.10132	1.6
123.11730	0.8
127.03907	1.2
131.08568	0.7
133.10118	1.7
135.11722	0.9
145.04974	0.3
149.13283	1.1
151.11192	0.9
159.11739	0.8
168.89978	0.2
185.04189	0.6
187.13301	0.4
203.05336	0.4
229.58170	0.3
243.08374	2.4
257.17526	0.7
267.15646	1.3
323.18307	0.4
325.27328	0.3
335.25983	0.5
418.30649	0.3
441.20908	0.4
453.20694	0.5
485.23605	7.1
519.29291	5.2
763.46002	100.0
764.46173	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	763.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01879	0.5
55.05521	1.3
55.26941	0.2
57.03435	1.7
61.02646	0.4
61.02935	4.7
65.88476	0.3
66.75990	0.2
67.05508	3.4
69.03435	2.6
69.07079	1.3
71.01356	0.4
71.04996	0.6
73.02924	3.5
76.86791	0.2
79.05507	4.3
81.03428	2.6
81.07069	3.8
83.04986	0.7
83.08628	1.2
85.02917	5.2
87.04496	0.7
91.03959	2.7
91.05492	4.1
93.07051	4.0
95.04981	0.9
95.08611	2.4
97.02908	3.5
97.06572	0.5
99.04470	0.8
101.02390	1.4
105.07034	3.4
105.13311	0.3
107.08585	2.1
109.02884	0.6
109.06517	0.3
109.10197	0.8
111.08103	0.4
115.03967	0.5
117.07049	0.8
119.08601	2.6
121.10175	1.2
123.08074	0.3
125.09666	0.4
127.03941	1.2
129.05482	0.4
129.07042	1.0
131.08617	1.0
133.10149	2.2
135.11722	1.2
143.08530	0.4
145.05035	0.3
145.10153	0.6
147.11723	1.6
149.13286	0.4
157.10193	1.0
159.11748	0.4
161.13290	0.6
167.64725	0.3
171.11748	0.5
173.13274	0.3
175.11247	0.6
184.07350	0.5
185.04254	1.1
193.12314	0.6
201.07539	0.3
203.05440	0.3
229.51097	0.3
241.06966	0.3
243.08424	2.9
251.12524	1.3
259.20688	0.8
259.24786	0.3
285.35980	0.3
289.00308	0.3
301.08981	1.3
307.15231	0.4
313.09085	0.3
315.10657	0.6
317.21011	0.4
341.12390	0.4
349.16351	0.5
352.18115	0.3
373.11200	0.4
383.17111	0.4
385.18481	0.6
395.16989	0.3
453.21277	0.3
465.21060	1.0
469.20529	6.8
485.19778	0.3
492.48270	0.3
535.28851	7.3
535.36780	0.5
536.29327	0.3
541.22546	1.3
763.42419	100.0
764.42676	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	763.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08177	1.9
60.75977	1.3
67.05504	4.0
68.56142	1.5
81.03426	3.4
81.07076	3.3
81.99072	1.3
86.09708	8.6
87.09990	1.8
91.05485	1.6
93.07037	2.0
95.08614	2.6
111.04458	1.2
116.93950	1.3
125.00004	7.0
135.11702	1.6
184.07346	36.0
185.07727	2.6
267.16187	1.5
337.27634	1.7
338.28052	2.2
713.45923	3.2
763.40442	100.0
764.40961	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	761.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01879	0.7
55.05506	1.7
57.03441	1.8
61.02930	4.0
67.05506	4.0
68.05834	0.3
69.03413	2.3
69.07077	1.9
70.64886	0.9
70.65252	0.7
71.01347	0.4
71.04984	0.9
73.02915	2.6
75.77129	0.5
79.05492	3.1
81.03415	3.7
81.07053	4.8
83.04973	1.1
83.08620	1.3
85.02909	5.7
85.06545	0.4
91.03960	2.3
91.05485	4.9
93.07054	2.8
95.04958	1.9
95.08607	2.4
97.02892	3.9
97.06541	1.2
99.04488	0.4
101.02367	1.9
102.68365	0.4
105.07043	3.7
107.04983	1.3
107.08596	1.6
109.02893	1.0
109.06516	0.9
109.10155	0.6
110.10558	0.4
111.08056	0.9
117.07014	1.0
119.08571	2.4
121.10157	1.4
127.03925	1.4
129.07004	0.5
131.08607	1.1
133.10126	2.0
135.11684	0.8
145.10184	1.4
147.08101	0.4
147.11668	2.1
149.09570	0.9
157.10143	1.4
159.11711	0.6
161.09583	0.4
161.13219	0.7
175.11182	0.7
179.14392	0.5
181.88419	0.4
193.12286	1.2
196.11223	0.4
207.56070	0.4
211.13362	0.9
243.08412	3.0
251.12631	0.7
275.20224	0.4
315.19293	4.3
371.21759	0.5
469.20416	10.9
533.27234	5.0
545.37903	0.6
552.83539	0.5
761.40790	100.0
762.40948	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	763.1505
Annotation	Gallocatechin-(4alpha->8)-epigallocatechin-3-O-gallate
Peak:m/z	Relative Intensity
53.00305	0.5
55.01862	1.4
65.03938	0.6
67.05497	0.4
68.99790	4.6
69.03428	0.4
69.86028	0.5
69.86443	1.1
70.49500	0.3
79.01857	4.4
79.05523	0.3
80.43755	0.3
81.03432	0.5
83.34174	0.3
91.05505	0.4
92.87587	0.3
95.04924	0.4
97.02892	1.0
107.01297	1.2
107.04964	0.5
109.02859	0.6
111.00799	4.6
115.05503	0.4
117.07025	0.4
119.04931	0.4
121.02852	0.4
123.00849	0.4
123.04439	4.9
124.86608	0.4
125.02347	2.1
127.03918	5.8
129.07054	0.4
131.04977	0.6
133.02837	1.5
135.04416	1.0
139.03905	32.5
140.04231	0.3
141.07036	0.4
143.03401	4.5
145.06494	0.6
147.04413	3.5
149.02312	0.7
149.05936	0.5
151.02937	0.3
151.03905	14.4
153.01834	100.0
153.02852	4.4
154.02165	0.8
155.03391	0.6
155.04904	0.7
157.02835	0.4
157.06494	1.2
159.04419	1.2
161.02382	0.4
161.06007	0.6
163.03912	5.9
165.05397	0.4
167.03410	0.9
169.05043	0.6
169.06476	0.7
171.04390	2.5
173.04633	0.3
173.05971	1.6
175.03918	7.7
177.01717	0.5
177.05461	3.6
179.03406	7.7
181.04947	1.3
183.04407	0.9
185.06001	2.0
187.03958	0.9
189.05482	2.8
191.03403	1.9
193.05005	1.6
195.04561	0.4
195.06548	0.8
197.05937	1.6
199.03899	4.5
200.04631	0.3
201.05475	4.6
203.03398	12.9
205.04953	0.8
211.03932	1.9
213.05452	4.7
215.03452	1.1
215.06964	0.4
217.04962	4.1
219.06563	1.4
220.75935	0.3
223.02347	0.4
223.05954	0.4
225.05505	1.1
227.03394	1.4
229.04939	3.9
231.06538	1.7
233.04456	2.5
241.04961	2.6
242.05588	0.3
243.06490	0.5
245.04466	8.9
247.05988	0.3
251.05559	0.5
253.05014	0.9
257.04446	9.3
258.05014	0.5
259.05890	1.9
263.05505	8.2
269.04468	3.5
271.06061	2.8
272.06488	0.3
275.05505	11.7
276.14862	0.3
281.04327	0.7
283.05984	0.3
287.05505	66.5
288.05887	1.2
289.07050	1.1
291.05722	0.3
299.05515	16.1
300.06116	0.7
301.07019	0.6
303.05038	2.6
305.06473	1.6
307.08072	3.2
311.05603	0.7
315.05002	0.9
317.06577	2.8
331.04593	1.6
406.49323	0.4
407.07523	0.8
425.08682	14.7
425.14468	0.7
426.08908	0.5
437.08563	0.4
443.09735	10.2
447.07446	0.3
449.08710	0.5
457.07544	0.4
467.09662	1.1
469.07593	0.7
498.24261	0.3
595.10614	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.4
55.01871	0.9
55.05519	1.1
57.03436	1.9
58.93281	0.3
61.02930	3.9
65.03947	0.3
67.05507	4.2
69.03437	2.3
69.07072	2.5
71.05010	0.6
73.02920	2.9
79.05495	3.5
81.03423	4.1
81.07058	4.5
82.07391	0.6
83.04993	0.9
83.08640	1.5
85.02908	5.1
87.04469	0.4
91.03958	2.2
91.05484	4.9
93.07058	2.8
94.07405	0.3
95.04968	1.6
95.08618	2.2
97.02894	3.2
97.06574	0.7
98.18215	0.3
99.04407	0.4
101.02405	1.4
102.88327	0.3
103.03921	0.3
105.07039	3.8
107.04974	0.8
107.08614	1.3
107.41640	0.3
107.53262	0.3
108.80467	0.3
109.02886	0.6
109.06560	0.5
109.10176	0.6
111.04443	0.4
111.08112	0.9
117.07068	0.7
119.08609	3.1
120.08945	0.3
121.10155	1.0
127.03942	0.9
129.07053	1.0
131.08629	1.9
133.10097	2.0
135.11734	0.5
135.35118	0.3
135.53596	0.4
137.82159	0.3
143.08568	0.4
145.10175	1.0
147.11647	1.7
149.09686	0.8
149.13336	0.7
157.10173	1.0
159.11766	0.8
163.11169	0.8
164.57811	0.3
169.10144	0.4
175.11218	0.9
184.07376	0.6
185.04268	0.7
193.12335	1.4
211.13344	0.9
243.08458	2.6
251.12616	0.6
269.17551	0.4
275.20175	0.7
307.15344	0.6
315.19305	4.4
352.86334	0.3
371.22339	1.0
469.20496	11.2
486.49603	0.4
533.27185	5.4
546.38013	0.8
599.35388	0.4
761.40833	100.0
762.41144	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	761.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01867	0.6
55.05509	0.8
57.03428	1.6
59.05002	1.1
60.35763	0.5
61.02927	4.1
67.05510	2.5
69.03420	2.1
69.07075	0.7
70.92155	0.9
71.01362	0.3
71.05008	2.3
73.02911	2.4
75.08423	0.3
79.05500	3.3
81.03418	5.8
81.07052	3.0
83.04982	0.9
83.08630	1.1
85.02895	4.3
85.06558	0.5
87.04476	0.9
91.03967	2.0
91.05475	3.6
93.07045	3.2
95.04967	2.3
95.08617	1.1
97.02893	3.3
97.06529	0.8
99.04453	0.8
101.02380	2.0
105.07023	2.7
107.04970	1.1
107.08591	1.4
109.02895	1.0
109.06521	0.9
111.04450	0.6
111.08073	0.5
115.77700	0.4
119.08604	1.7
121.10163	2.7
123.08054	0.6
123.11737	0.4
127.03919	1.2
129.07039	1.4
131.08546	2.6
133.10132	1.9
139.04044	0.4
142.07809	0.5
147.11723	2.5
149.09654	3.1
157.10161	2.2
175.11232	1.5
193.12280	2.3
225.14897	1.1
243.08414	2.4
267.15973	2.1
283.06644	0.5
283.15179	7.6
298.05579	0.4
335.16772	0.4
339.17822	2.0
370.54501	0.5
425.18076	0.4
441.20679	0.4
451.19281	0.5
469.20569	0.9
501.23080	32.9
502.22971	0.6
599.33112	0.5
657.36505	0.4
761.39282	100.0
762.39551	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	760.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.1
55.01867	4.1
55.05267	1.9
55.05515	20.7
57.03439	17.5
57.07073	1.4
60.08161	3.1
61.02928	3.1
65.03940	2.4
67.05510	71.0
69.03436	3.7
69.07075	18.6
71.04982	3.5
71.07381	2.2
71.08643	1.3
71.32999	2.2
79.05024	1.3
79.05495	45.4
81.03424	79.1
81.07062	72.1
83.04991	6.5
83.08620	25.6
85.02912	4.1
85.06548	2.4
86.09705	16.8
91.03967	1.8
91.05486	37.4
93.07051	54.8
94.07367	1.8
95.04375	1.7
95.04975	30.1
95.08609	49.6
97.02892	3.8
97.06538	5.7
97.10175	7.3
98.98463	1.4
99.08105	1.8
104.10751	1.5
105.04516	1.3
105.06311	1.7
105.07029	28.3
107.04975	6.1
107.07877	1.9
107.08601	33.0
109.06513	4.6
109.10162	19.4
111.04463	2.2
111.08105	6.7
111.08750	1.6
115.05465	1.7
117.07021	9.7
119.08591	24.5
121.06529	3.4
121.10155	29.6
123.08046	4.6
123.11703	8.1
123.55083	1.1
125.00032	13.0
125.09626	6.1
127.03938	1.4
129.07019	12.8
131.08569	23.2
133.06493	3.2
133.10152	20.7
135.08046	3.8
135.11710	14.4
137.09604	2.0
137.13255	2.7
139.11150	2.5
142.07838	2.6
143.08562	4.5
145.10150	13.1
147.08047	4.1
147.11693	17.2
149.09599	7.0
149.13275	6.6
151.11258	1.6
155.08565	1.4
157.10153	15.0
159.11705	8.0
161.13278	7.1
163.11166	3.4
163.14828	4.1
165.12820	3.0
165.67259	1.1
167.08534	1.3
169.10112	1.9
171.11708	3.5
173.13295	5.8
175.11159	10.1
175.14821	3.4
177.12781	2.4
184.07359	64.5
185.13284	2.1
187.14882	4.8
189.11215	2.6
191.10619	1.2
193.12257	23.2
197.13414	1.4
201.16304	1.7
211.13176	2.2
223.13283	1.3
223.29800	1.2
227.12741	6.9
235.13281	1.7
236.73065	1.2
243.21135	4.9
249.14972	1.2
259.20648	2.4
261.22171	17.5
264.84079	1.3
267.15930	100.0
285.16962	2.8
285.22073	1.5
287.29337	1.2
289.21704	1.6
299.23651	2.4
301.22324	1.3
301.25159	6.0
303.23297	1.8
309.16867	2.9
317.24814	5.6
329.43567	1.2
333.24234	2.3
335.25815	89.1
336.26224	2.6
359.25327	1.6
421.26013	2.2
435.27347	2.2
435.32629	5.1
453.33777	9.2
471.34903	7.1
475.30469	1.8
499.38556	1.2
509.36502	1.8
527.37354	64.1
528.37854	1.7
545.38361	67.1
546.38458	3.0
563.39282	7.8
569.38293	4.9
710.43591	5.6
743.39655	1.4
760.42993	22.3
761.41113	7.4
762.52838	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01871	1.1
55.05519	2.3
55.05748	0.4
57.03442	3.0
61.02928	3.4
67.05505	5.9
68.05039	2.2
69.03441	2.4
69.05820	0.8
69.07076	1.3
70.06596	87.6
71.05004	2.4
71.06924	0.5
71.53373	0.5
73.02917	2.6
79.05492	4.4
80.05008	0.5
81.03412	4.2
81.07061	5.7
82.06567	0.9
82.74553	0.4
83.04991	3.3
83.07366	0.9
83.08626	2.4
84.08162	0.7
85.02910	6.7
85.06581	0.4
86.06054	0.5
91.03966	1.9
91.05484	5.9
93.07052	5.4
95.04977	3.1
95.08624	3.9
96.08149	1.7
96.52863	0.5
97.02893	3.5
97.06531	1.2
97.10191	0.6
98.09674	0.6
99.04453	1.0
100.07635	0.6
101.02411	1.2
105.07030	4.0
106.06622	0.5
107.04981	1.2
107.08602	2.9
109.10177	1.6
111.04433	2.9
111.08091	1.2
117.07009	0.5
119.08580	2.6
121.06530	0.5
121.10133	5.1
123.04430	0.5
123.08122	0.8
124.07579	0.6
127.03944	0.8
129.07024	1.4
131.08578	1.9
133.10162	1.0
135.11699	3.0
140.07114	2.0
142.08649	5.7
145.10136	2.5
147.08044	0.6
147.11693	1.9
149.09648	1.4
153.12740	1.5
157.10164	1.2
163.11177	3.7
173.09689	0.9
175.11229	1.4
181.12268	2.5
191.10707	1.3
193.12300	1.2
209.11755	0.5
211.13368	0.7
219.46188	0.4
226.18098	0.9
227.12828	2.3
236.16490	4.2
254.10384	0.4
254.17535	10.2
278.17606	1.0
285.16989	1.1
296.18588	9.3
310.20084	1.1
314.19635	11.8
328.21222	2.3
370.22302	6.1
388.23306	9.2
389.55484	0.5
453.48392	0.5
484.66357	0.6
538.33661	6.4
543.17505	0.5
557.89728	0.5
580.34949	7.1
598.35895	100.0
599.36224	3.0
742.40051	1.6
760.41174	72.7
761.41748	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	758.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.9
55.01874	1.2
55.05511	15.6
56.38992	0.5
57.03440	6.7
57.07082	2.6
59.04997	1.3
61.02924	3.3
65.03952	2.6
65.04256	0.5
67.05505	68.5
69.03427	2.1
69.07067	12.2
70.57848	1.0
70.58176	0.7
71.04995	20.1
73.06548	0.6
77.03908	0.8
79.05493	36.6
81.03419	1.5
81.07057	100.0
82.07408	0.8
83.04980	4.3
83.08618	8.2
85.02899	3.2
85.06548	8.7
87.04494	0.7
91.03959	1.1
91.04897	1.0
91.05479	27.7
93.07044	41.1
95.04986	2.6
95.08610	30.0
97.02890	1.4
97.06526	4.6
97.10165	3.0
99.08090	1.3
105.04531	0.9
105.07034	16.3
107.07872	1.2
107.08598	21.3
109.06516	2.4
109.10159	13.6
111.08101	3.0
117.07030	6.1
119.08578	8.9
121.10147	17.5
123.08049	0.7
123.11713	15.0
125.09626	1.4
129.07018	1.0
130.53102	0.6
131.08565	8.3
133.10132	18.7
135.08041	0.9
135.11696	9.2
137.09668	0.6
143.08578	1.0
145.10118	5.9
147.11684	5.2
149.13260	7.0
151.11174	7.6
157.10141	1.1
159.11687	6.1
161.13245	2.8
163.14850	1.4
165.12808	0.7
169.12244	1.5
171.11693	0.9
173.13257	3.0
175.14838	1.3
177.12781	2.5
183.13861	3.0
185.13322	0.7
187.13322	4.4
187.14896	1.2
193.09174	0.5
195.13821	1.5
201.14828	0.9
201.16505	0.7
213.14888	0.7
227.16447	1.8
243.16020	1.2
243.21077	1.0
253.17929	0.8
257.17554	1.6
261.22241	3.2
269.17453	6.1
285.16855	0.7
301.20096	20.1
317.24860	1.0
335.25793	27.8
336.26187	0.7
393.31686	0.8
411.32599	1.6
437.33823	0.7
445.25046	0.6
455.35266	0.7
485.36215	3.1
486.36771	0.6
503.37314	93.2
504.37738	3.7
511.37805	0.6
517.38922	3.2
529.38934	15.2
547.39691	0.9
561.41516	97.6
562.41742	4.4
705.44543	0.9
783.26117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
53.04182	1.2
55.01880	6.3
55.05278	1.8
55.05519	26.8
57.03436	14.4
57.07070	2.2
59.04993	1.7
61.02915	5.6
65.03923	4.0
67.05511	54.1
69.03420	5.9
69.07071	17.4
70.77692	3.1
71.04984	6.0
79.05501	59.2
81.03427	51.7
81.07066	62.9
83.04983	14.9
83.08626	25.7
85.02917	24.4
85.06558	6.5
91.05487	76.6
93.07054	55.9
95.04983	22.9
95.08617	34.4
97.02885	4.0
97.06561	8.7
97.10181	9.0
99.08113	2.3
103.05478	2.7
105.04475	1.8
105.07040	69.1
107.04961	8.3
107.08607	39.4
109.06577	7.6
109.10170	10.0
109.34724	1.6
111.04462	2.7
111.08096	9.0
113.03378	1.3
113.05998	1.8
115.05431	2.5
117.07027	16.8
119.08596	56.1
121.06496	1.9
121.10155	24.7
123.08077	3.4
123.11699	5.9
125.06063	1.4
125.09626	5.4
128.06195	1.8
129.07019	19.3
131.08577	34.3
133.06462	4.4
133.10138	44.4
135.08073	2.2
135.11707	15.0
137.09605	2.7
141.06952	1.7
142.07753	2.9
143.08574	10.6
143.11642	1.3
145.10139	20.5
147.08061	4.0
147.11703	46.0
149.09644	9.2
149.13260	12.8
151.11131	1.6
155.08542	3.9
157.10149	22.5
159.11720	18.5
161.13274	23.8
163.11203	5.0
163.14832	3.8
165.12769	3.1
167.08719	1.4
169.10129	4.4
171.10219	1.9
171.11671	12.4
173.13271	11.4
175.11180	14.4
175.14841	9.1
177.12776	3.2
181.10002	2.6
183.11665	2.5
185.13252	8.9
187.14841	3.7
189.11266	2.1
189.12804	1.8
193.12268	36.1
195.11766	1.9
195.13814	3.2
197.13283	3.1
199.14821	5.8
201.16415	1.7
211.13312	53.5
211.15269	3.1
211.61481	1.6
213.16420	1.5
227.12689	8.6
229.14314	2.4
231.21100	6.7
239.18182	1.4
241.19533	26.2
257.18958	3.0
259.20609	72.4
265.14484	1.3
267.15921	24.2
269.17569	13.6
275.20093	7.8
277.21713	2.8
283.15442	5.8
285.16971	61.0
293.21173	1.5
297.22000	2.1
299.23657	1.9
315.23221	7.2
331.22678	2.2
333.24274	59.0
349.23779	6.4
415.29779	1.8
433.30966	9.6
439.26974	4.0
451.32138	9.3
463.30450	2.7
469.33002	4.3
507.34708	2.9
515.37164	5.0
525.28668	2.1
525.35913	35.0
543.36871	100.0
544.37085	3.4
561.38440	6.3
651.38391	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	758.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01880	7.0
55.05513	22.1
57.03446	12.7
57.07064	2.6
57.33123	0.9
61.02913	3.4
65.03931	3.5
66.16041	0.8
67.05510	82.9
69.03426	4.6
69.07072	34.4
69.80862	4.5
71.05005	7.2
73.02914	2.4
79.05498	57.4
81.03427	11.8
81.07061	100.0
83.04992	11.1
83.08148	1.5
83.08624	22.6
85.02913	5.3
85.06548	4.4
85.64019	0.8
91.03982	1.2
91.05489	43.6
93.07050	75.0
95.04984	9.6
95.08614	32.2
97.02886	5.2
97.06535	18.6
97.10170	10.6
99.04444	1.9
99.08119	4.6
105.04517	2.2
105.07041	30.8
107.04962	6.0
107.08601	45.8
109.02815	1.3
109.06536	4.8
109.10168	10.1
111.08075	7.8
111.11688	1.0
113.09646	1.7
117.07024	18.1
119.08589	19.0
121.06519	4.8
121.09321	1.8
121.10147	20.0
123.08087	3.8
123.11731	5.7
125.09624	8.9
127.03905	2.1
128.06197	1.0
129.05502	1.4
129.06966	4.3
130.07776	1.1
130.53339	0.9
131.08574	18.8
133.06570	1.0
133.09126	1.3
133.10138	24.9
135.08049	4.1
135.11697	17.6
137.09616	2.1
139.11191	1.4
141.07002	1.2
143.08560	2.9
145.10138	9.5
147.11684	9.3
149.09648	10.2
149.13263	25.8
151.11188	2.7
155.08580	2.4
157.10138	3.8
159.11705	19.0
161.09599	1.4
161.13260	3.7
163.11171	4.9
165.12775	1.9
169.10147	2.5
171.10236	1.9
171.11702	2.7
173.04434	1.6
173.13290	3.5
175.11287	1.4
177.12785	8.0
179.14244	2.4
183.11714	2.1
189.11217	3.4
193.12170	1.4
195.13814	14.9
197.13278	1.5
211.13403	1.5
213.14751	1.5
227.12819	17.3
228.68939	0.9
229.19702	1.4
239.18010	1.9
241.19479	1.0
247.20572	1.1
251.16393	2.5
253.14648	1.0
253.17998	1.1
255.16005	3.1
257.19028	7.3
259.20618	1.4
267.15909	3.3
269.17493	92.4
270.17566	1.1
275.20078	27.3
276.20593	1.1
285.17108	1.4
293.21130	4.1
331.22650	2.1
339.18036	1.1
349.23764	28.8
350.24451	1.1
351.25397	1.1
365.23172	2.0
367.24722	2.6
413.21646	1.3
423.27295	3.6
439.26968	5.8
445.29510	1.2
447.30884	1.7
449.29013	21.2
463.30585	91.8
464.31024	2.9
503.33502	1.1
525.35889	2.8
531.52795	1.0
543.36841	52.6
544.37073	2.4
561.37976	7.7
583.31030	1.8
593.32776	1.0
607.34698	4.4
705.41315	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
53.98636	1.0
55.01875	5.0
55.05514	22.5
57.03201	1.0
57.03446	12.6
57.07067	2.2
61.02927	2.3
65.03941	2.9
67.05511	75.1
69.03437	5.6
69.07074	29.3
70.02910	2.5
70.03303	2.2
71.05004	5.9
71.08640	1.4
73.02911	2.9
79.05499	50.1
81.02985	1.2
81.03426	11.9
81.07062	100.0
83.04984	11.0
83.08161	1.1
83.08633	20.4
85.02914	6.6
85.06561	6.2
91.04908	1.5
91.05486	40.4
93.07050	64.3
94.07383	1.0
95.04980	12.5
95.08615	30.8
97.02877	2.6
97.06546	14.2
97.10178	4.1
99.04459	1.7
99.08085	4.0
105.04536	1.4
105.07035	28.0
107.04955	7.2
107.08599	39.5
109.02856	1.8
109.06545	9.9
109.10162	9.7
111.04427	1.8
111.08079	6.8
113.05972	1.5
113.09619	1.2
115.05431	1.1
117.07031	12.9
119.08594	16.2
121.06492	4.8
121.09337	1.7
121.10155	20.1
123.08069	3.5
123.11692	6.1
125.09620	2.7
127.03889	1.3
127.07587	1.1
129.07010	4.3
131.08565	16.1
133.06448	1.7
133.10135	24.9
135.08075	5.3
135.11691	16.4
137.09569	1.1
139.11208	1.4
141.07014	1.2
143.08568	2.8
145.06505	1.3
145.10141	9.8
147.11674	11.5
149.09644	6.6
149.13269	21.9
151.11208	2.4
155.08614	1.0
157.10115	4.0
159.11697	14.5
161.09613	1.9
161.13228	2.3
163.11165	4.0
163.14740	1.0
165.12737	2.8
167.14293	2.1
170.76146	1.0
171.11713	2.4
173.04466	2.2
173.09811	1.1
173.13234	3.5
175.11174	2.2
177.12778	6.2
179.14325	2.6
183.11768	1.2
185.13185	1.7
187.14789	1.7
193.12221	4.4
195.13837	14.8
211.13309	3.2
213.14926	1.9
219.13870	1.1
227.12892	1.8
251.16464	2.3
255.15892	5.1
257.19107	1.9
259.20590	2.7
267.15942	5.0
269.17493	76.2
270.17850	1.9
275.20090	22.9
276.20496	1.1
277.21686	2.7
285.16998	7.4
293.21152	3.3
331.22659	1.6
333.24445	1.5
349.23767	15.2
351.25311	3.2
367.24881	8.3
413.21942	1.8
419.45868	1.1
445.29379	3.0
449.29050	19.3
462.90701	1.2
463.30579	77.7
464.30908	2.2
486.73346	1.2
525.35687	2.9
543.36853	50.7
544.37189	2.4
555.15674	1.0
561.37878	32.4
562.37787	1.5
607.34656	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	757.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.7
57.07076	2.2
57.46769	1.2
58.66711	1.3
60.46586	1.3
61.02914	4.4
66.50925	1.3
67.05498	3.9
69.03433	1.7
69.42531	5.4
69.42938	3.4
71.08627	3.6
73.02932	2.3
75.66859	1.4
79.05487	1.5
80.66946	1.3
81.03422	3.1
81.07047	4.7
85.02890	3.4
85.10181	1.8
91.03957	2.1
91.05487	3.6
92.52068	1.5
93.07027	3.0
95.04958	1.5
95.08600	3.8
97.02903	4.2
99.04467	1.3
104.55309	1.2
105.07030	2.5
109.10155	1.6
119.08549	1.4
121.10157	1.2
149.09595	2.2
154.12576	1.2
216.86279	1.3
243.08446	3.3
267.16003	1.8
283.15271	4.4
284.31665	1.3
313.27252	2.3
339.17572	1.3
497.30786	7.0
501.23026	14.1
532.57391	1.2
545.38605	1.6
626.79620	1.3
757.47052	100.0
758.47198	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	758.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.7
55.01883	5.7
55.05272	1.6
55.05514	20.3
57.03204	1.3
57.03441	13.2
57.07064	2.4
60.05579	0.8
61.02909	3.1
62.33904	0.9
65.03938	3.6
65.90150	0.8
67.05510	68.2
69.03429	5.2
69.07072	33.1
70.77084	2.3
71.01357	0.9
71.05000	7.6
71.81181	0.8
73.02914	1.5
79.05497	56.5
81.03416	13.1
81.07059	89.9
83.04987	12.2
83.08162	1.0
83.08624	19.6
85.02913	6.9
85.06532	5.2
91.03941	1.6
91.05486	39.2
91.15584	0.9
93.07050	66.9
95.04977	9.5
95.08614	30.2
97.02871	3.7
97.06533	19.3
97.10181	10.2
98.20843	1.0
99.04453	1.2
99.08109	4.7
105.04509	1.7
105.07033	27.4
107.04955	6.9
107.08595	48.1
109.06498	4.2
109.10151	9.0
111.04398	2.1
111.08086	9.8
113.05998	1.4
113.09589	1.5
115.05457	1.2
117.07027	16.7
117.56192	0.9
119.08585	18.1
121.06481	3.1
121.10145	26.4
123.04352	0.9
123.08061	3.1
123.11674	3.2
125.09631	6.0
127.03912	2.8
129.05492	1.8
129.06990	3.8
130.07762	1.4
131.08580	22.3
133.06476	1.5
133.10132	21.6
135.08046	6.6
135.11694	15.6
137.09659	1.6
139.07553	1.1
139.11226	1.7
141.07011	1.0
143.08546	3.4
143.10452	0.9
145.04944	1.2
145.10132	14.9
147.08051	1.8
147.11700	12.3
149.09634	11.3
149.13269	30.5
151.11166	2.2
155.08519	1.7
157.10127	5.6
159.11699	21.9
161.09703	0.9
161.13242	5.2
163.11201	6.3
165.12741	2.0
169.10114	1.2
169.64563	1.0
171.10205	1.5
171.11702	2.8
173.04408	1.9
173.09538	1.1
173.11948	1.0
173.13240	4.8
175.11214	2.8
175.14725	1.2
177.12781	8.0
179.14284	2.1
183.11687	3.1
185.13286	1.3
187.11246	1.6
187.14697	1.3
189.11224	3.2
189.12753	1.1
193.12202	2.9
195.13803	15.0
197.13272	1.6
199.14804	1.0
201.12704	1.7
211.13257	5.3
213.14801	1.7
227.12788	17.9
229.19547	2.1
239.17949	2.0
241.19415	1.2
247.20660	1.7
251.16510	1.1
255.15843	5.4
257.19022	10.0
259.20563	5.8
267.15918	4.6
269.17493	100.0
270.17691	1.6
275.20087	34.9
278.75079	0.9
285.16989	5.6
293.21042	3.1
309.48929	0.8
331.22617	3.1
333.24130	5.1
339.18048	2.1
349.23712	31.2
365.23199	2.5
367.24820	1.8
413.22113	1.2
423.27353	3.7
433.30881	0.8
439.27075	5.8
446.70517	0.9
447.30801	3.2
449.28979	25.1
450.29056	1.4
463.30548	86.4
464.31046	2.2
469.32547	1.4
503.33350	2.8
515.37097	2.8
525.35913	6.7
543.36841	69.8
544.37061	2.8
561.29590	1.2
561.37744	12.6
583.31372	1.9
607.34235	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	757.2195
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03931	0.1
55.05487	0.2
57.03447	1.3
59.04996	0.1
61.02935	1.6
68.99788	0.3
69.03406	0.4
69.45767	0.7
71.01359	0.1
71.05003	7.9
73.02921	0.8
74.35839	0.1
75.04501	0.5
81.03410	0.2
83.04995	0.7
85.02916	10.8
87.04429	0.2
91.03419	0.1
91.03957	1.0
97.02406	0.1
97.02907	1.2
99.04431	0.2
105.03358	0.1
107.04955	0.2
109.02888	0.2
111.00787	0.4
111.04426	0.4
116.98666	0.1
121.02136	0.1
121.02894	1.7
123.04404	0.2
127.03889	0.6
129.05490	2.5
133.02844	0.3
133.06911	0.1
137.02315	0.4
139.03845	0.5
145.04930	0.4
145.06441	0.1
147.04413	0.4
147.06512	0.8
151.03867	0.1
153.01846	2.1
157.06453	0.2
163.03975	0.2
163.05960	0.1
165.01843	0.9
171.04463	0.1
183.02913	0.7
185.06023	0.4
203.03493	0.2
213.05510	0.8
213.07349	0.2
217.04898	0.2
231.06517	0.6
241.05017	0.6
258.05219	0.6
259.06003	0.3
269.04755	0.1
286.04773	0.1
287.05524	100.0
288.05841	1.7
290.22491	0.1
295.06091	0.2
299.05569	0.3
303.04938	0.2
307.06241	0.1
311.05334	0.1
313.95709	0.1
317.06369	0.2
325.07153	0.6
329.06528	0.6
337.06961	0.2
349.07086	0.2
351.08600	0.1
353.06622	0.3
379.08142	0.2
397.09207	0.1
431.09732	0.2
449.10855	22.4
450.10837	0.5
595.17487	0.1
601.14612	0.1
611.15771	0.1
619.16406	0.2
637.17181	0.1
721.19666	0.1
739.21130	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	757.2183
Annotation	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
55.01863	0.3
55.05492	0.4
57.03190	0.2
57.03439	1.9
61.02931	1.4
68.99797	0.3
69.03420	0.8
70.66789	0.5
71.01351	0.5
71.04994	12.1
73.02914	1.2
75.04462	0.7
81.03416	0.2
83.04547	0.3
83.04980	2.7
85.02906	16.2
87.04472	0.4
89.50979	0.2
91.03951	0.7
95.04959	0.7
97.02885	0.8
99.04453	0.7
103.03927	0.3
109.02864	0.7
111.00815	0.5
111.04439	2.4
113.05976	0.2
117.05453	0.5
121.02859	0.6
127.03889	0.7
129.04533	0.3
129.05486	5.5
137.02335	2.2
137.60808	0.2
145.05009	0.4
147.06528	2.3
149.02376	0.4
153.01826	2.4
153.05435	0.7
157.05043	0.2
163.03885	0.5
163.06053	0.6
165.01874	1.6
171.06529	0.3
173.05981	0.2
183.02931	0.5
201.05460	0.8
201.07445	0.3
229.04988	3.1
239.09093	1.0
247.05998	0.6
255.08476	0.4
255.55887	0.2
257.04440	2.3
257.10165	0.4
273.09659	0.2
274.04736	0.7
275.05585	0.2
275.11270	0.6
285.03946	1.1
287.05496	1.3
293.12503	0.4
303.04990	100.0
304.05331	1.8
315.05103	0.4
345.06073	0.7
369.06052	0.4
427.77069	0.2
432.81058	0.2
447.09326	0.3
449.10626	1.0
465.04037	0.3
465.10284	2.1
649.50922	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2187
Annotation	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03953	0.1
55.01870	0.2
55.05508	0.3
57.03440	2.1
60.41969	0.1
61.02926	1.5
65.03940	0.2
67.05495	0.2
68.99796	0.3
69.03442	0.8
71.01345	0.4
71.04996	11.2
71.22439	0.2
73.02922	1.2
75.04471	0.7
75.40670	0.1
81.03423	0.4
83.04989	3.0
85.02908	15.4
87.04465	0.4
91.03966	0.8
93.03421	0.2
95.04993	0.6
97.02905	0.8
99.04469	0.6
101.06027	0.2
103.03919	0.1
107.04943	0.2
109.02866	0.7
109.06542	0.1
111.00807	0.7
111.04440	2.5
113.06018	0.4
117.05502	0.3
121.02872	0.8
121.06477	0.2
123.04433	0.3
123.08052	0.1
125.06047	0.1
127.03940	0.8
129.05487	4.7
135.04448	0.1
137.02347	2.2
137.03282	0.1
137.06000	0.1
139.03906	0.3
145.04959	0.3
147.06526	2.1
149.02341	0.3
153.01822	2.7
153.05467	0.8
157.04968	0.3
159.06523	0.2
161.05988	0.2
163.03964	0.6
163.06035	0.8
163.07344	0.1
165.01848	1.4
171.06567	0.3
173.06026	0.3
174.86406	0.1
183.02890	0.6
183.04387	0.2
187.03954	0.3
189.05038	0.1
191.03513	0.1
195.02748	0.1
195.06543	0.1
201.05470	1.1
201.07390	0.3
213.05557	0.2
213.07648	0.2
213.51949	0.1
215.03519	0.2
229.04973	3.5
239.09161	1.0
247.06108	0.7
255.08549	0.3
257.04459	2.3
257.10175	0.3
274.04660	0.6
275.05496	0.2
275.11243	0.4
285.03864	0.9
287.05569	0.7
293.12323	0.2
302.04477	0.1
303.04999	100.0
304.05322	1.8
315.05042	0.4
317.06686	0.3
327.05008	0.2
345.05939	1.0
369.06046	0.5
381.05994	0.1
413.08527	0.2
430.99762	0.1
447.09137	0.2
449.10815	3.1
465.10382	1.7
611.15289	0.2
646.80292	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	756.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01876	5.4
55.05271	1.5
55.05518	19.6
57.03444	9.8
61.02926	1.8
65.03942	1.6
67.05510	45.1
69.03447	7.1
69.07076	28.4
69.89851	3.6
69.91862	0.7
71.04992	3.6
71.35758	0.8
79.05497	33.4
81.03433	9.1
81.07063	54.3
82.64059	0.8
83.04993	6.8
83.08627	14.0
85.02908	2.4
85.06542	3.3
91.03960	1.3
91.05491	26.9
93.07049	38.1
95.04971	10.2
95.08611	18.1
97.02892	9.0
97.06529	6.9
97.10172	9.7
98.20820	1.0
99.08094	2.1
103.03982	0.8
103.05567	0.9
105.04514	1.0
105.07047	17.1
107.04964	6.1
107.08611	26.9
109.06539	2.8
109.10166	10.0
111.04458	1.3
111.08085	5.7
115.05459	1.4
117.07024	10.4
119.04924	1.6
119.08604	11.0
121.06516	3.0
121.10157	11.0
123.08101	3.9
123.11720	3.5
125.09645	6.6
129.06992	4.1
130.07761	1.2
131.08575	12.0
133.06531	2.1
133.10155	18.0
133.11108	1.9
135.08040	4.1
135.11725	7.2
137.09599	1.4
142.07925	1.2
143.08569	2.9
145.06506	1.0
145.10120	5.1
147.08058	4.8
147.11722	4.8
149.09647	3.2
149.13266	11.1
151.11183	4.7
157.06505	0.8
157.10161	3.3
158.26465	0.8
159.08122	1.7
159.11707	6.9
161.09663	1.9
161.13277	1.4
162.10478	1.2
163.11201	2.3
165.12811	0.8
169.10158	1.0
169.12279	1.4
171.11703	1.3
173.09584	0.8
175.11246	1.9
177.12772	3.2
181.96840	0.8
184.07387	1.9
189.11177	2.3
193.12299	2.6
195.13820	7.6
205.12279	1.8
211.13309	1.6
213.14706	1.0
223.13315	13.6
227.12877	4.2
245.19057	1.7
249.15001	2.1
253.14377	7.6
267.16031	2.9
269.17499	49.4
270.17963	1.1
273.18484	12.3
275.20096	1.2
291.19562	66.9
292.20013	1.7
341.96951	0.9
347.22177	2.3
349.23672	1.1
365.23254	33.2
366.23895	0.9
439.33200	0.8
449.30017	1.1
461.28918	2.6
465.28461	2.8
479.30194	2.6
541.35327	4.4
559.36340	100.0
560.36603	4.7
726.89600	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01874	5.2
55.05514	20.6
57.03440	6.1
57.07060	1.0
59.05003	0.9
61.02910	1.8
65.03929	1.7
67.05506	41.2
69.03423	5.8
69.07072	25.8
71.05000	3.5
71.05316	0.6
71.08616	0.8
73.02912	1.2
73.12410	0.6
77.03928	0.6
79.05495	27.6
79.09499	0.6
81.03422	7.1
81.07058	46.1
82.07407	0.7
83.04974	4.1
83.08622	12.3
85.02906	2.3
85.06550	2.2
91.05480	18.8
93.07047	34.9
95.04971	8.2
95.08614	13.8
97.02898	7.3
97.06542	7.2
97.10176	9.6
98.20757	2.2
99.04454	0.8
99.08122	1.6
99.19730	0.6
105.04536	0.8
105.07037	13.4
107.04940	5.2
107.08598	21.5
109.02891	0.6
109.06507	3.1
109.10169	7.4
111.04426	0.9
111.08072	5.1
115.05461	0.8
117.07014	9.1
119.04959	0.8
119.08594	10.4
121.06529	2.9
121.10149	11.3
123.08065	2.2
123.11711	1.2
125.09628	6.8
129.07019	2.2
130.07797	0.7
131.08572	11.2
133.06511	2.2
133.10126	8.0
134.07277	1.6
135.08032	3.4
135.11690	6.0
137.09605	1.4
139.11206	1.0
143.08568	2.3
145.06479	0.9
145.10155	5.3
147.08044	4.6
147.11700	3.4
149.09622	2.2
149.13268	16.2
151.11209	1.6
154.07712	0.6
155.08655	0.6
157.10147	2.9
159.08138	0.7
159.11690	8.8
161.09659	2.3
161.13228	0.8
161.59459	0.6
162.10437	0.9
163.11157	2.3
165.09140	0.8
169.10236	0.8
169.12183	1.1
171.10263	0.8
171.11758	1.6
173.21239	0.6
175.11205	2.4
177.12756	3.1
179.14507	0.6
184.07458	0.9
185.13353	0.9
189.11223	2.5
189.12764	0.8
193.12323	2.0
195.13824	4.8
205.12227	1.1
211.13345	0.7
213.14798	0.7
223.13290	10.4
227.12823	5.2
227.17876	0.6
245.18990	0.8
249.14912	3.4
253.14400	1.4
267.15958	2.5
269.17487	49.4
273.18488	10.2
275.20200	2.1
283.15494	0.9
285.17221	0.8
291.19547	76.5
292.19879	1.0
301.61288	0.6
309.20694	1.2
315.23026	1.0
347.22171	1.6
349.23743	1.4
365.23236	30.0
439.26883	1.1
439.64069	0.7
447.27206	0.9
461.12689	0.7
461.29251	3.3
479.30167	2.1
541.35413	5.3
559.36304	100.0
560.36652	2.5
577.37628	1.1
705.54712	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
55.01871	9.0
55.05268	1.0
55.05512	13.2
57.03437	5.8
59.04996	0.6
59.66758	0.5
61.02932	0.6
61.21661	0.6
65.03932	1.5
67.05502	27.8
69.03428	1.8
69.07068	18.3
69.07355	0.3
71.05023	2.7
71.11787	0.6
71.12106	0.7
73.02920	0.6
79.05495	26.0
81.03420	24.2
81.07055	39.0
82.91863	0.5
83.04994	8.5
83.08620	12.1
85.02911	9.1
85.06540	2.1
91.05482	42.0
93.07042	23.6
93.07631	1.2
95.01325	6.7
95.04969	12.7
95.08610	19.4
97.02905	2.0
97.06530	17.0
97.10180	2.8
99.08102	1.5
102.75069	0.6
103.05480	2.1
105.04530	1.1
105.07030	56.0
107.04954	12.8
107.08602	11.9
109.02861	0.6
109.06536	4.9
109.10146	4.2
111.04448	0.8
111.08079	3.9
113.06023	1.4
113.09614	0.8
115.05441	1.4
117.07022	10.2
119.08582	32.7
121.06532	2.5
121.10149	7.0
123.04472	1.3
123.08100	3.9
123.11721	2.0
125.09658	2.1
129.07013	6.4
131.07593	1.0
131.08568	19.0
131.91409	0.6
133.06511	1.4
133.10129	33.1
135.08064	2.6
135.11681	5.1
137.09561	2.8
139.07512	1.5
139.11183	0.6
141.06967	1.3
142.07793	1.6
143.08580	2.5
145.06491	1.6
145.10123	11.7
147.08064	1.7
147.11693	15.0
149.09627	7.4
149.13257	2.1
151.11234	1.2
155.08566	1.4
157.10127	6.0
159.08081	1.0
159.11696	8.2
161.09586	0.7
161.13225	3.0
163.11168	3.1
165.09174	1.2
165.12801	2.4
169.10194	1.7
171.11737	2.1
173.13322	2.8
175.11166	5.0
177.12752	3.4
179.14317	9.7
183.11697	1.3
185.13239	0.7
187.11185	2.2
187.14897	0.8
193.12236	11.6
197.13271	1.3
201.12811	0.9
205.12216	1.1
211.13275	11.4
219.17465	4.6
223.13371	0.7
229.19478	0.8
239.18059	0.8
241.14395	0.7
247.20633	1.3
257.19012	4.3
267.15906	17.0
275.20062	61.0
279.15897	2.3
285.16956	25.5
293.21121	4.3
349.23734	31.7
350.24100	1.0
388.22601	0.6
394.07645	0.5
402.28589	0.6
461.28708	0.8
541.35272	50.4
542.35565	2.5
559.36304	100.0
560.36768	4.2
577.37146	1.3
670.15411	0.6
703.39984	1.6
741.90057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01892	7.2
55.05518	17.1
57.03447	8.5
58.46473	1.6
61.02926	2.9
65.03938	3.1
67.05508	64.5
69.03421	5.4
69.06732	1.7
69.07076	19.1
70.81248	1.2
71.04990	5.1
71.53436	1.4
71.53852	2.1
73.02901	1.5
79.05498	44.6
79.37418	1.3
81.03423	11.5
81.07062	79.7
83.04978	12.4
83.08622	13.4
85.02893	3.7
85.06559	6.0
87.04495	1.4
91.04913	1.5
91.05489	48.6
93.07052	51.3
95.04969	11.3
95.08617	20.5
97.02889	2.9
97.06522	7.3
97.10194	3.2
99.08104	2.3
103.05471	1.3
105.07042	38.5
107.04951	5.4
107.08608	37.0
109.06523	6.3
109.10160	32.0
111.04431	2.3
111.08074	6.5
113.06017	1.6
114.68513	1.4
117.07032	10.5
119.08591	10.2
121.06480	6.4
121.10146	11.3
123.08066	3.6
123.11731	8.9
125.09664	1.7
127.03941	1.7
127.07567	2.7
129.07005	4.6
131.04872	1.2
131.08559	14.3
133.06506	2.3
133.10143	53.4
135.08044	4.8
135.11714	7.0
137.09645	1.9
143.08546	4.5
145.10117	6.7
146.08102	1.7
147.08124	3.3
147.11664	5.8
149.09633	6.5
149.13300	8.8
151.11186	20.0
155.08577	1.6
157.10086	4.1
159.08063	1.8
159.11726	6.6
161.09604	5.3
163.11165	1.8
165.12819	1.5
169.12265	4.4
171.11696	1.9
173.13303	1.4
175.11208	3.3
177.12720	3.7
179.10608	1.6
193.12309	1.7
195.12219	1.1
195.13785	8.2
200.78046	1.3
209.13710	1.2
211.13290	3.5
213.14832	1.4
215.12839	3.0
233.15155	1.3
245.19043	2.7
251.12720	2.4
253.14363	100.0
254.14767	2.2
255.17528	1.7
263.19971	1.5
267.15985	6.5
269.17505	46.0
273.18524	14.7
275.20026	3.5
279.29843	1.3
291.19608	19.7
299.14890	3.1
309.20630	1.8
335.25775	3.1
347.22192	7.5
349.23819	2.2
365.23245	28.1
367.24786	1.5
397.11148	1.1
417.25516	1.4
419.38464	1.4
447.27118	2.7
461.29034	5.0
463.26956	2.6
465.28513	26.8
477.28061	2.3
479.30011	11.3
541.35229	13.5
559.36359	82.7
560.36560	3.6
562.16962	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
55.01875	14.1
55.05268	1.6
55.05516	20.3
57.03442	12.2
61.02919	1.1
62.52589	0.8
65.03944	2.6
67.05509	38.9
69.03425	3.6
69.07070	26.3
69.24368	3.2
69.24783	5.8
71.04992	6.0
74.06113	1.1
77.03913	1.1
79.05498	35.7
81.03423	38.0
81.07062	57.3
83.04990	14.3
83.08623	18.1
84.04459	1.0
85.02434	1.6
85.02912	18.3
85.06541	2.9
87.19254	0.9
91.05482	62.6
93.07048	35.4
93.07636	1.4
95.01333	7.5
95.04973	20.4
95.08617	28.9
95.38550	0.9
97.02901	3.0
97.06543	26.9
97.10165	3.5
103.05473	1.8
105.07037	74.0
107.04966	17.8
107.08601	15.5
109.06540	6.8
109.10159	8.1
111.04449	2.6
111.08081	7.8
113.06022	2.0
113.09628	1.2
115.05390	2.2
117.07027	11.5
119.08588	43.6
121.06499	2.8
121.10152	10.9
123.04473	1.9
123.08045	5.1
123.11702	2.9
125.09637	2.4
129.06995	9.2
131.08578	24.7
133.06490	4.2
133.10138	41.0
135.08060	2.5
135.11705	6.5
137.09612	2.7
139.07555	1.1
141.07024	2.0
143.08586	2.7
145.06488	2.5
145.10127	15.4
147.08015	2.9
147.11697	20.2
149.09630	10.6
149.13240	2.6
151.11212	1.4
155.08582	1.4
157.10147	11.1
159.11702	9.8
161.09618	1.0
161.13252	4.2
163.11166	4.5
165.09193	2.1
165.12759	1.9
169.10098	1.4
171.11682	2.1
173.09528	1.1
173.13278	2.6
175.11218	8.7
177.12784	2.2
179.14337	9.8
183.11627	1.6
187.11232	2.4
193.12254	25.2
197.13269	1.4
211.13293	21.6
211.15225	1.2
239.18076	1.0
247.20604	1.6
257.19009	4.9
267.15936	30.7
275.20078	63.8
279.15918	1.7
285.16974	66.7
293.21072	3.6
349.23761	36.3
393.61475	1.0
541.35291	65.8
542.35498	2.6
559.36340	100.0
560.36389	2.7
577.37103	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	756.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.5
53.03941	5.6
55.01877	3.7
55.05514	18.7
57.03436	11.5
57.07066	2.1
59.05003	2.4
61.02913	4.9
65.03959	2.3
67.05507	47.7
69.03407	1.6
69.07077	13.1
70.13374	3.9
70.13729	2.5
71.01330	2.0
71.04996	3.0
79.05492	32.3
81.03412	4.1
81.07056	58.6
83.04970	4.9
83.08617	15.3
85.02890	4.8
85.06549	3.7
91.05482	30.0
93.07043	46.9
95.04959	6.4
95.08609	32.8
97.02888	4.5
97.06532	5.6
97.10181	4.7
99.00819	13.4
99.04442	1.6
99.08104	2.1
105.07034	22.3
106.74814	1.4
107.04958	4.9
107.08597	22.8
109.02871	11.6
109.06499	3.8
109.10163	16.6
111.04353	1.5
111.08084	5.0
115.03938	2.8
117.06976	7.4
119.08574	17.6
121.06509	6.2
121.10181	14.9
123.08107	2.3
123.11703	5.0
125.09631	1.7
127.03915	2.0
129.07001	1.7
131.08589	11.1
133.06517	1.8
133.10138	34.7
133.63954	1.5
135.08038	2.0
135.11703	11.3
137.05991	1.8
137.09642	1.9
139.07524	1.9
143.08531	4.7
145.10153	6.7
147.08060	2.0
147.11676	6.0
149.09581	1.6
149.13263	5.4
151.11205	10.5
159.11702	4.3
161.09625	15.1
161.13316	4.4
163.11229	1.7
163.14838	3.2
171.08067	3.5
173.13315	4.3
175.11136	1.9
179.10614	7.0
179.14278	1.3
184.07443	2.4
187.14752	2.5
189.09143	8.2
197.11717	2.6
207.10168	2.2
211.13336	1.8
225.11212	10.7
243.12178	1.9
243.21118	5.5
254.80040	1.4
261.22125	15.2
265.10013	1.5
267.16031	1.9
275.20111	2.6
281.13782	3.1
299.14893	84.4
315.23239	3.3
317.24783	3.1
335.25806	100.0
336.26224	2.3
467.31433	3.5
479.29907	2.4
485.32407	2.4
513.35492	3.1
541.35095	8.7
559.36273	52.8
560.36047	2.4
619.45648	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
53.53281	0.7
55.01884	3.6
55.05270	1.1
55.05519	15.3
57.03447	8.0
60.20528	0.6
65.03947	0.9
67.05183	1.1
67.05513	16.6
69.03420	2.8
69.07070	5.4
70.78239	0.9
70.78558	1.2
71.01329	0.8
71.04990	3.1
79.05070	1.2
79.05502	17.3
81.03425	46.8
81.07067	15.0
83.04987	4.3
83.08630	14.9
84.87789	0.6
85.02898	0.9
85.06570	1.6
91.05495	12.4
93.07054	13.2
95.04981	20.5
95.08614	8.6
96.85616	0.7
97.02885	1.4
97.06539	2.7
97.10185	16.9
99.08108	0.8
105.07042	10.0
107.04969	12.1
107.08604	11.0
108.84678	0.8
109.06539	7.1
109.10170	5.1
111.04433	2.0
111.08098	5.7
117.03329	0.6
117.07058	4.5
119.04950	1.1
119.08590	9.2
121.06519	10.1
121.10155	8.3
123.04440	2.1
123.08109	3.5
123.11718	1.2
125.05942	1.0
125.09641	14.6
129.07021	7.8
131.04959	1.6
131.08586	8.6
133.06511	3.5
133.10147	4.9
135.08061	6.3
135.11728	1.9
137.05994	0.9
137.09651	1.2
139.11192	0.9
141.07030	1.6
142.07811	1.5
143.08606	1.8
145.06522	6.0
145.10147	4.2
147.04414	1.3
147.08080	3.9
147.11682	5.0
149.09644	4.5
153.09142	2.9
153.12769	1.1
155.08568	1.5
157.06534	1.5
157.10155	7.4
159.08078	1.4
159.11702	1.7
161.06015	0.9
161.09657	0.9
163.11215	4.3
165.12796	1.8
167.08635	0.8
167.10695	1.9
169.10143	1.6
171.08035	1.6
171.10194	2.5
171.11748	2.0
173.09637	1.5
173.13277	1.9
175.11191	6.0
179.08510	0.8
181.10226	1.3
183.11734	0.9
185.09628	1.6
185.13223	0.8
187.11189	1.7
187.14836	1.5
189.09706	1.0
189.11259	5.9
189.12852	1.8
191.14328	1.2
192.33011	0.7
193.12257	17.6
195.08170	1.0
195.11748	0.9
195.66023	0.8
197.13367	1.1
199.11234	2.3
199.13162	0.7
205.12262	1.9
209.13287	1.0
211.11189	0.9
211.13277	1.3
213.12839	1.2
215.14270	1.9
217.12354	1.4
219.13910	2.7
223.11264	1.2
223.13284	1.6
225.12859	1.6
227.12874	2.4
231.13863	1.2
233.15375	4.6
235.13292	0.8
237.12819	1.6
237.15015	0.9
239.14349	1.0
241.14330	1.3
243.13806	0.8
249.14929	1.3
255.13802	2.1
259.13336	1.7
267.15936	37.0
271.16953	0.9
273.14822	7.3
273.16861	0.8
287.16586	1.1
291.16125	1.1
293.17551	2.2
335.52194	0.7
339.23352	2.4
349.21780	4.9
357.24316	2.4
367.22705	16.2
385.23767	22.1
385.28479	1.4
385.84814	0.9
403.24869	6.8
405.23990	0.9
441.26434	9.7
459.27460	100.0
460.28030	3.7
477.28540	90.1
478.28925	3.1
491.30081	12.9
501.28635	1.8
509.31165	6.1
541.33905	1.4
567.29224	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
55.05513	8.3
55.25516	1.0
57.03438	6.6
61.02935	0.9
62.35032	0.8
65.03954	1.3
67.05511	20.6
67.31644	0.8
67.83311	0.7
69.03427	1.8
69.07067	12.2
71.04989	3.0
79.05499	12.4
81.03423	4.9
81.07060	68.0
82.07370	1.0
83.04996	5.7
83.08624	7.9
85.02901	2.6
85.06561	4.5
91.05486	20.6
93.07061	12.4
95.04970	3.6
95.08611	14.6
97.02891	1.1
97.06534	6.8
97.10169	0.8
99.04425	1.2
99.08104	2.6
101.06046	1.2
105.07037	31.4
107.04965	1.5
107.08601	12.1
109.02863	1.8
109.06530	4.3
109.10128	2.1
111.04415	1.7
111.08083	1.8
113.06776	0.9
115.07528	1.2
117.07000	0.9
119.08585	27.0
121.09477	0.5
121.10148	21.6
123.08062	4.7
123.11711	26.3
127.03875	0.9
127.07574	2.9
129.07033	1.4
131.08574	3.5
133.10133	3.2
137.09570	1.1
137.13228	1.6
141.09084	1.3
145.10155	1.2
147.11696	70.4
148.12030	1.2
149.09619	1.9
157.10162	2.9
158.25278	0.8
159.11725	0.9
165.12775	30.8
175.11203	2.6
183.13805	4.4
191.00136	1.3
192.06970	0.8
193.12289	3.6
211.13310	1.9
229.14342	10.9
267.15927	91.8
268.16263	1.4
269.17410	0.9
273.18549	1.8
285.16974	100.0
286.17331	1.9
291.19437	1.5
292.19815	0.9
303.17795	0.8
355.75369	0.7
419.13736	2.0
437.14487	1.5
459.27722	1.4
474.78711	0.8
475.16434	1.0
477.28513	13.9
493.17511	8.2
495.29584	74.2
496.29840	2.7
511.18570	12.6
685.28473	1.9
703.29382	3.4
754.42773	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	10.6
55.01875	14.4
55.05513	35.6
57.03439	38.7
61.02905	13.3
61.63715	2.8
65.03917	7.9
67.05505	84.3
69.03426	23.5
69.07070	37.1
71.04997	21.1
71.53672	3.5
73.02898	7.6
79.05495	71.9
81.03416	100.0
81.06592	6.2
81.07058	94.3
83.04980	28.0
83.08618	34.6
85.02904	34.6
85.06519	9.9
91.03928	5.6
91.05487	73.7
93.07043	56.1
95.04972	47.7
95.08608	39.5
97.02895	18.0
97.06522	34.1
97.10151	11.1
99.08102	40.3
105.07028	56.9
107.04966	28.5
107.08592	34.8
109.02869	7.6
109.06515	34.0
109.10150	15.3
111.04435	9.9
111.08066	27.2
113.05998	9.2
113.39587	2.8
115.05488	5.9
115.07523	10.2
117.07036	21.2
119.08584	40.2
121.06495	12.4
121.10132	25.9
123.04429	4.1
123.08032	15.7
123.11677	8.5
125.09655	6.8
127.03903	11.7
127.07565	23.7
128.06201	2.9
129.07014	21.9
131.04947	3.7
131.08578	36.4
133.06493	11.5
133.10152	26.8
135.08061	22.4
135.11688	10.4
137.09622	5.7
138.17012	2.7
141.06964	3.5
142.07780	5.8
143.08566	14.0
145.06514	5.9
145.10123	22.5
147.08041	16.0
147.11705	34.7
149.09639	19.5
149.13242	8.7
151.11159	3.2
153.12718	3.0
155.08557	5.4
157.10138	23.0
159.08058	9.3
159.11681	11.3
161.09624	9.0
161.13298	3.4
163.11150	11.2
165.12729	11.0
167.08626	3.0
169.10109	6.9
171.08096	4.4
171.11674	9.6
173.09599	9.2
173.13316	5.1
175.11150	23.6
177.12733	4.8
179.10704	6.1
181.12195	4.5
183.11665	9.0
185.09673	3.7
185.13199	6.2
187.11136	6.3
189.12856	4.1
191.10724	6.5
193.12260	42.9
195.11685	3.2
199.15103	3.2
201.12761	4.3
203.10680	3.1
211.11340	5.1
211.13286	56.0
213.12758	4.8
217.15927	6.5
219.13773	5.9
221.15358	9.2
227.12764	7.8
227.17844	4.0
229.14256	6.5
233.15361	3.1
235.17075	3.3
255.17419	7.7
264.56024	2.9
267.15894	42.4
269.17685	6.5
273.18466	45.7
274.19128	3.0
285.16946	58.8
291.16534	5.7
291.19547	73.6
297.18369	3.5
307.18948	6.2
309.20627	8.2
316.96219	3.0
347.22177	18.9
365.23239	31.4
383.24231	8.4
429.21005	9.1
461.28748	8.5
479.29718	7.8
495.29291	9.0
509.27316	3.4
517.31213	6.1
529.34778	3.5
539.33490	11.6
549.89722	2.8
557.34753	42.6
575.35876	47.3
593.36847	58.5
614.09137	3.1
623.34558	4.7
683.37708	6.2
701.37970	5.0
719.39252	8.8
737.40076	12.7
755.41278	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	755.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.1
55.01877	8.1
55.05513	21.1
57.03441	10.2
59.92990	1.8
65.03936	2.1
67.05180	2.3
67.05512	37.2
69.03419	6.4
69.07074	9.7
70.06599	2.3
71.04983	5.5
71.59270	1.8
79.05080	3.1
79.05502	44.5
81.03426	27.8
81.07064	100.0
82.07385	1.5
83.04974	15.0
83.08629	11.6
85.02455	1.9
85.02902	10.9
85.06555	2.2
86.85157	1.5
88.23710	1.7
91.04925	1.9
91.05486	32.5
93.07049	25.9
95.04986	16.7
95.08613	14.0
97.02866	2.5
97.06516	5.7
97.10171	8.0
99.04424	2.1
103.05457	1.8
105.04527	1.7
105.07040	18.6
107.04955	13.3
107.08599	15.8
109.06529	50.9
109.10157	11.8
111.04419	9.6
111.08077	5.8
112.69865	1.6
113.06039	1.6
115.05431	2.6
116.85238	1.6
117.07026	14.1
119.07819	2.5
119.08595	31.6
121.06495	7.8
121.10154	11.7
123.04439	1.6
123.08091	5.1
123.11697	2.0
125.09617	7.8
129.07053	10.2
131.08578	17.4
133.06496	3.4
133.10147	10.2
135.08052	6.5
135.11699	5.9
137.09610	2.2
139.03877	2.4
143.08549	4.5
145.10139	16.8
147.08073	9.6
147.11719	9.8
149.09683	8.8
153.12828	2.8
155.08521	2.1
157.10165	9.1
159.11691	4.7
161.09607	8.2
161.13252	2.9
163.11159	10.2
165.09161	2.1
165.12744	2.4
171.08066	2.0
173.04375	1.8
173.09560	2.8
173.11887	1.8
175.11186	5.6
181.12216	3.3
185.13333	2.5
186.77768	1.9
189.11192	2.2
189.12718	1.9
191.10622	3.1
193.12251	11.8
199.11409	2.3
209.11670	2.7
211.13254	15.7
217.99266	1.8
223.13232	2.3
225.90178	1.7
227.12714	5.4
227.17857	2.4
229.14433	2.1
249.14931	4.2
255.17490	2.6
265.14194	2.2
267.15909	14.4
273.18576	25.3
275.20142	5.6
285.17017	27.7
287.05615	2.0
291.19556	84.6
292.19800	2.0
299.20004	1.8
301.16495	2.7
347.22119	13.6
349.23608	4.1
365.23328	14.4
477.28928	2.2
539.33716	7.2
557.34717	25.5
562.73059	2.0
575.35834	32.7
696.00476	1.8
708.25037	2.1
755.41132	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	754.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	12.9
57.03445	5.2
63.61671	5.6
67.05519	29.1
69.07063	9.7
79.05491	20.2
79.19739	4.5
81.07065	39.9
83.23539	5.6
89.19489	5.3
91.05466	12.3
93.07064	25.6
95.08617	14.8
96.67287	4.9
102.23138	4.6
105.07041	5.5
107.08627	13.6
109.10160	12.4
121.10143	16.7
135.11696	7.8
149.13292	11.6
149.56009	4.5
208.73885	5.3
261.22137	11.2
269.17532	68.7
280.69431	5.1
335.25839	57.2
440.88144	5.3
529.38971	100.0
562.48419	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	754.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.6
55.01875	3.2
55.05518	23.4
57.03431	8.1
57.07087	2.6
59.05016	1.8
61.02922	1.7
65.03931	4.9
67.05509	71.3
69.07072	17.5
71.04993	4.0
71.53496	1.4
77.40388	1.3
78.58666	1.4
79.05499	100.0
81.03426	8.8
81.07061	66.3
83.04980	15.4
83.08611	9.9
85.06544	3.9
90.52067	1.4
91.05486	98.6
93.07050	93.3
94.07417	1.6
95.04978	21.5
95.08616	43.2
97.06531	5.2
97.10191	5.1
99.08115	4.6
103.05481	2.4
105.04512	3.7
105.07036	91.6
107.04973	10.0
107.08598	37.5
107.16473	1.6
109.06545	9.5
109.10143	12.0
111.08096	4.3
115.05428	3.3
117.07024	22.8
119.08589	65.1
121.06510	4.7
121.10143	22.7
123.08074	5.7
123.11748	4.3
127.07562	1.9
128.06256	5.6
129.07014	27.4
130.07802	2.0
131.08568	21.5
133.10138	45.4
135.08072	3.6
135.11710	16.0
137.09554	1.9
141.07022	3.4
142.07854	2.2
143.08586	14.6
145.10136	27.8
147.08078	4.1
147.10515	3.4
147.11693	67.3
149.09631	2.1
149.13277	10.0
155.08543	3.8
156.09341	1.8
157.10121	8.2
159.11717	18.9
161.09612	4.2
161.13272	37.5
163.11211	4.2
163.14882	4.1
169.10223	4.3
171.11682	38.1
173.13264	15.6
175.11232	1.9
175.14815	11.5
177.12782	3.4
183.11734	3.1
185.13277	10.3
187.11224	3.1
187.14827	3.5
189.12747	11.2
190.73613	1.4
197.13272	3.5
199.14798	4.5
201.16420	1.7
205.12321	1.9
207.13855	21.2
211.14961	3.1
213.16495	2.6
217.19452	1.9
231.17311	1.7
231.21085	6.8
239.17888	1.9
241.19514	32.6
243.21126	3.2
243.72351	1.7
255.17560	1.6
257.19083	3.7
259.20599	68.9
261.22293	2.7
279.15918	22.9
281.17484	80.4
287.20166	2.2
297.17136	2.7
315.23129	5.0
333.24286	54.7
333.28268	2.8
334.24539	1.9
418.89890	2.0
429.31580	2.5
447.32614	10.0
465.33667	8.6
483.34427	4.3
521.35901	4.5
529.38623	2.7
539.37329	98.5
540.37653	3.3
557.38434	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.0
55.01878	11.1
55.05513	36.4
57.03441	17.8
57.07090	1.6
57.79091	1.2
59.04995	5.4
65.03929	2.3
65.04959	1.2
67.05509	85.9
68.05766	1.1
68.42233	1.2
69.03432	19.9
69.07075	18.3
71.01347	3.9
71.04989	9.1
73.02911	1.9
79.05498	38.2
81.03423	100.0
81.07063	39.3
83.01298	1.5
83.04988	22.4
83.08627	27.6
85.02911	48.8
85.06552	4.6
87.04461	2.3
89.74745	1.2
91.05487	33.8
91.79475	1.1
93.06485	1.7
93.07050	22.6
95.04977	32.9
95.08613	15.7
97.02899	22.2
97.06522	10.1
97.10172	16.6
98.20720	2.9
98.95474	1.3
99.04453	6.2
99.08087	1.9
101.02345	1.4
103.03921	1.6
105.04601	1.4
105.06388	1.8
105.07042	19.2
107.04961	15.3
107.08598	18.8
109.02892	18.9
109.06525	3.6
109.10164	51.4
111.04459	11.1
111.08091	9.8
113.05988	3.3
117.07039	6.1
119.04950	2.4
119.08595	19.6
121.06542	7.8
121.10144	10.3
123.04449	7.0
123.08060	3.8
125.06025	1.8
125.09637	15.9
127.03943	10.9
128.06261	1.8
129.05505	2.2
129.07010	9.8
131.03401	3.1
131.04944	2.8
131.08562	12.5
133.06511	3.3
133.10124	7.5
135.04373	1.7
135.08058	4.0
135.11746	6.1
135.12619	1.2
137.05984	1.5
137.09645	3.6
139.03903	3.3
142.07770	1.6
143.08603	1.4
143.10666	3.5
145.06520	1.9
145.10146	5.3
147.04498	1.8
147.08032	4.2
147.11714	13.4
149.05960	3.1
149.09634	6.4
151.07619	1.2
153.12772	3.9
155.08548	1.5
155.10704	3.6
157.05020	1.4
157.06590	1.3
157.08836	1.8
157.10156	10.9
161.09647	2.0
161.13226	1.6
163.07542	1.7
163.11227	9.1
165.05562	1.4
165.12755	3.1
171.06563	1.6
171.08055	1.4
171.11658	2.9
173.04483	10.2
173.09570	3.0
173.11754	9.9
175.11201	10.6
181.12219	4.5
183.06573	2.4
189.05508	1.8
189.09396	1.5
189.11256	2.4
189.12773	5.5
191.10680	5.0
191.88249	1.3
193.12245	32.6
199.05867	1.5
199.11308	2.7
199.13301	4.4
209.04239	1.2
209.11635	5.7
211.06052	1.2
211.13298	37.3
217.12242	2.8
227.12761	12.5
229.14354	21.5
235.13359	3.7
249.14879	2.9
259.13293	2.1
264.48712	1.1
267.15915	16.5
269.12253	2.3
270.12534	1.5
273.14822	2.3
277.14334	2.9
283.15411	5.5
285.16931	9.8
301.14014	2.7
301.16794	3.3
309.17014	9.9
319.15637	1.4
337.16104	2.4
353.15897	1.8
371.30099	1.3
375.18091	1.7
391.16968	1.2
399.23688	1.7
421.25684	4.1
439.26938	34.6
463.26785	3.1
475.26877	1.6
493.27866	2.6
495.29620	1.6
511.29059	2.2
529.28088	1.3
583.31555	2.1
609.35785	3.7
611.30847	1.6
637.31696	3.3
655.32684	1.7
701.13751	1.4
735.38947	2.2
753.40527	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	752.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.7
55.01850	1.0
55.05512	7.0
57.03439	12.1
57.07078	25.8
61.02905	0.7
67.05507	12.6
69.03395	1.6
69.07069	7.4
69.16209	5.8
71.04949	1.6
71.08633	20.1
75.95551	0.5
79.05495	9.3
81.03419	59.4
81.07055	16.0
83.04935	2.4
83.05375	0.7
83.08617	20.0
85.02876	1.3
85.06527	0.7
85.10184	13.2
89.06031	1.2
91.05480	9.6
93.07043	5.4
95.04967	17.0
95.08612	16.4
97.02872	1.6
97.06504	1.0
97.10180	5.1
98.21463	1.1
99.08054	0.8
103.07552	0.8
105.07026	7.2
107.04972	3.0
107.08537	1.9
109.06484	2.3
109.09483	0.6
109.10155	7.6
111.04370	1.0
111.08086	5.6
111.11669	0.9
114.71032	0.5
115.05491	0.9
117.01979	0.5
117.06975	1.3
117.09085	0.6
119.04916	0.7
119.07824	0.6
119.08586	7.8
121.06528	1.3
121.10149	5.1
123.04401	1.0
123.08073	1.3
123.11697	2.9
125.09644	0.7
129.07002	5.7
131.08571	4.5
133.06432	2.3
133.10173	3.0
137.09538	1.2
137.13242	1.1
142.07722	1.6
145.10127	0.8
147.04362	0.6
147.07997	1.9
147.11699	5.4
149.09619	4.3
149.13182	0.6
157.10115	7.7
163.11159	0.8
165.12743	1.3
175.11186	6.7
186.14487	0.6
188.50560	0.6
193.12244	22.6
211.13242	1.5
212.88593	0.6
214.69472	0.5
223.13409	0.6
228.48694	0.5
239.23697	2.0
244.38271	0.5
249.14851	1.6
257.24695	2.4
259.13354	1.4
267.15918	100.0
268.16290	1.4
272.55945	0.5
273.14932	0.6
296.52835	0.5
301.14517	1.0
304.26352	0.8
309.16983	1.1
313.27365	99.7
314.27719	2.3
319.15408	0.8
320.26160	0.7
323.17062	0.6
333.17209	0.7
427.76825	0.5
431.35001	0.7
505.38895	87.6
506.39590	2.8
523.39972	1.8
547.40118	2.8
601.40887	1.2
613.40924	1.5
645.22974	0.6
649.43683	0.7
695.00763	0.6
752.46423	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
55.01875	11.0
55.05509	10.4
57.03432	1.7
61.38971	1.0
65.03941	1.5
67.05176	2.0
67.05507	24.0
69.07070	13.3
69.30209	1.1
69.30556	9.1
71.04997	1.6
79.05499	31.4
79.42986	1.0
81.03436	6.8
81.07057	30.6
83.04987	5.5
83.08628	6.1
91.05484	32.1
93.07050	28.3
95.01344	3.4
95.04968	8.6
95.08613	16.3
97.06525	19.7
97.10165	1.9
98.21536	2.4
103.05439	1.3
105.04499	1.3
105.07031	38.0
107.04966	8.6
107.08587	9.8
107.64381	1.1
109.06544	2.8
109.10157	4.7
111.08099	1.3
117.07019	7.6
119.08584	23.2
121.06535	2.3
121.10157	4.7
123.08085	2.7
129.07005	4.7
131.08566	9.7
133.10139	20.3
135.11690	4.0
139.07489	1.5
141.06900	1.5
141.93265	1.0
143.08546	3.6
145.10117	8.8
147.08051	1.2
147.11705	16.1
149.09642	4.9
155.08498	1.5
159.11691	4.9
161.13310	5.6
163.11194	3.1
169.10207	1.3
171.11678	7.8
173.13277	1.8
177.12738	1.6
179.14278	5.7
187.11272	1.4
189.12744	2.7
193.12354	1.2
197.13315	1.4
207.13797	3.7
236.21925	1.4
247.20770	1.3
257.19043	2.3
275.20062	35.5
279.15930	3.6
281.17487	27.6
293.21164	3.1
339.08185	1.1
349.23703	15.1
389.38409	1.3
537.36481	1.6
555.36829	100.0
556.37146	3.0
703.17987	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.6
55.01849	1.2
55.05507	6.2
57.03439	12.4
57.07075	24.5
67.05502	13.5
69.03394	1.9
69.07072	7.9
70.10162	2.3
71.04962	1.1
71.08631	19.5
77.96818	0.5
79.05492	7.5
81.03416	58.7
81.07053	15.5
83.04972	2.8
83.08618	18.9
85.02850	1.0
85.10179	11.5
89.06028	1.4
91.05488	9.6
93.07043	5.7
95.04968	16.2
95.08605	17.1
97.02840	1.7
97.06515	1.1
97.10168	5.0
97.11160	0.5
99.11703	0.7
103.07546	0.8
105.07030	7.7
107.04966	4.4
107.08553	2.7
109.06478	1.6
109.10153	7.7
111.04420	1.4
111.08070	5.4
111.11663	1.0
115.05421	0.9
117.06998	1.0
119.08582	7.5
121.06464	1.6
121.10126	4.3
123.04408	0.9
123.08029	1.2
123.11697	3.3
129.06989	6.0
131.08563	5.1
133.06468	2.3
133.10117	2.7
137.13234	1.3
142.07794	0.9
145.10080	1.0
147.07999	2.5
147.11682	6.3
149.09607	3.1
157.10144	6.8
163.11179	0.6
165.12683	1.8
166.36659	0.6
173.22340	0.6
175.11169	7.9
193.12236	24.4
205.12224	0.7
211.13229	1.4
235.13327	1.6
239.23668	1.5
249.14790	1.4
257.24747	2.2
267.15909	100.0
268.16248	1.6
268.23309	0.6
273.14767	0.9
289.35889	0.6
301.14258	0.8
309.16895	2.4
313.27359	92.9
314.27744	2.2
314.31433	0.6
505.38895	78.4
506.39175	2.6
509.56873	0.6
523.39941	0.9
547.40015	3.8
601.41559	1.2
613.41583	0.9
631.41840	0.8
649.42120	0.7
704.06403	0.7
752.36688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
55.05518	8.4
57.03442	6.5
67.05511	10.9
69.03426	2.3
69.07064	3.0
69.47777	6.9
71.05004	2.2
72.12828	0.9
73.02905	1.0
79.05499	13.6
81.03424	56.4
81.07069	13.8
83.04985	7.5
83.08617	14.2
84.61214	0.9
85.02914	9.0
85.06563	1.2
87.34030	0.9
91.05486	17.9
93.07031	8.7
95.04980	20.1
95.08602	6.3
97.02914	2.3
97.06541	1.6
97.10168	2.3
105.07031	13.0
107.04961	5.0
107.08611	4.6
109.06553	2.7
109.10164	2.6
111.04420	1.4
111.08085	8.1
113.06026	1.2
115.05518	1.4
117.07034	2.0
119.04937	1.2
119.08601	13.1
121.06541	3.0
121.10146	5.7
123.08053	2.8
123.11687	1.1
125.09631	2.3
125.21093	1.0
128.06291	0.9
129.06996	7.7
131.08571	6.5
133.06526	2.7
133.10144	7.9
137.09607	1.8
137.13211	0.8
142.07793	1.3
145.06499	1.4
145.10129	1.5
147.04482	1.5
147.08087	2.7
147.11710	8.6
149.09607	5.7
157.10152	9.0
163.11174	1.1
165.12784	1.8
175.11188	8.6
193.12254	33.2
211.13333	29.0
255.13959	1.6
267.15936	100.0
268.16382	1.3
273.14719	1.7
275.36755	1.0
285.16974	39.6
290.54712	1.1
349.21500	1.2
367.22586	8.7
385.23801	8.4
403.24884	2.4
433.25784	8.1
435.45718	0.9
441.26303	5.3
459.27420	66.5
460.27908	2.1
477.28522	62.0
478.28442	1.8
491.16278	1.1
563.77509	1.0
601.66797	1.1
751.92603	1.2
752.42517	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	751.5342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.4
57.03433	12.3
57.07080	43.4
57.51778	3.0
61.02925	5.4
67.05505	41.5
69.03413	3.4
69.07079	20.4
69.87531	3.1
71.08638	24.1
71.54348	4.1
78.67944	3.0
79.05492	33.2
81.03412	5.5
81.07060	40.2
83.08615	10.3
83.53401	3.3
85.02909	5.1
85.06563	3.9
85.10175	13.1
87.04441	5.1
91.05489	38.4
93.07059	34.8
95.04953	3.2
95.08607	37.7
97.02924	3.8
97.10163	4.0
105.07031	42.4
105.67990	2.9
107.08634	15.1
109.10149	15.5
110.62281	3.3
113.79111	3.0
114.00533	2.9
117.07037	15.9
119.08584	42.9
119.85668	3.6
121.10147	12.6
123.11693	4.2
129.07021	13.8
131.08607	21.1
133.10127	32.0
135.11696	15.7
143.08598	13.1
144.09435	3.5
145.10146	14.6
147.11705	35.0
149.13234	9.2
155.08627	4.9
157.10143	9.5
159.11646	19.0
161.13257	25.5
171.11714	8.4
173.13278	6.3
175.11153	5.3
175.14847	13.0
185.13249	10.3
190.62819	3.3
231.21111	4.3
239.23769	3.3
241.19557	36.7
259.20590	78.7
269.17551	4.3
289.21921	3.4
301.21515	4.1
313.27386	100.0
333.24246	44.4
357.23889	3.7
367.22638	5.0
385.23520	3.4
499.49960	3.1
523.41553	3.3
571.47076	11.4
589.48413	37.6
597.95447	3.2
625.48053	4.5
679.48981	9.3
733.52356	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	749.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.05508	1.6
57.03433	3.0
57.07067	2.2
61.02926	5.4
67.05507	6.2
69.03439	3.4
69.07063	1.8
70.28741	1.2
70.29111	2.0
71.04996	2.7
71.08628	1.2
73.02923	4.1
79.05504	6.0
81.03423	6.6
81.07054	6.7
83.04997	0.6
83.08631	2.1
85.02909	5.5
85.10188	1.1
87.04459	1.1
91.03955	4.2
91.04984	0.6
91.05474	3.1
93.07047	4.9
95.04990	1.8
95.08599	5.4
97.02892	6.1
97.06499	0.7
99.04443	0.8
100.33141	0.6
101.02370	2.3
105.07038	2.0
107.08607	2.6
107.50012	0.5
109.02881	1.1
109.10172	3.6
111.08105	0.7
119.08621	1.9
121.10145	1.6
123.04471	0.6
127.03954	1.3
129.07028	0.9
131.08594	0.8
133.10178	1.0
135.11707	2.2
137.09621	0.9
145.10132	1.1
147.11685	0.9
147.92700	0.7
157.10222	0.8
185.04266	1.1
193.12332	1.3
243.08444	2.5
253.14212	2.2
267.15857	3.5
313.27347	4.7
335.25812	0.8
471.22021	5.3
505.39212	3.7
519.29407	7.5
569.67242	0.6
749.44470	100.0
750.44812	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	748.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01861	1.9
55.05265	1.2
55.05510	12.2
57.03442	12.9
57.07080	27.9
61.02924	3.4
65.03932	1.3
67.05507	26.7
69.03437	3.9
69.07075	9.5
71.04989	4.1
71.08241	1.1
71.08636	23.6
71.31132	1.1
73.02921	1.3
79.05499	18.5
81.03425	46.3
81.07061	29.9
83.04987	12.6
83.08627	22.3
83.09127	1.3
85.02909	20.1
85.06548	2.1
85.10189	14.7
85.10680	1.3
85.92354	0.8
89.06040	0.8
91.03979	1.6
91.05489	23.1
93.07053	12.1
95.04976	17.8
95.07983	1.2
95.08610	23.1
95.86497	0.7
97.02901	4.3
97.06534	4.7
97.10177	8.3
98.08360	0.6
99.08129	1.7
105.07034	14.7
105.07691	1.1
107.04948	5.1
107.08590	6.6
109.06538	2.7
109.10164	11.5
111.04467	2.1
111.08090	7.2
111.11720	2.3
113.06012	2.0
115.05483	1.4
117.06981	1.4
119.04930	0.8
119.08588	13.4
119.09456	0.7
121.10147	6.8
123.08083	2.7
123.11729	3.7
125.09644	1.4
129.07025	7.5
131.08583	8.9
133.06483	1.4
133.10161	10.2
135.11723	1.6
137.09642	1.1
137.13271	1.1
142.07776	1.8
145.10121	1.9
147.08073	2.4
147.11688	10.9
149.09653	3.7
157.10144	11.4
163.11189	1.4
165.12775	2.5
175.11189	11.1
193.12262	31.6
194.12621	0.8
195.08110	0.7
211.13303	51.2
211.62068	0.8
212.13683	0.8
229.87939	0.8
233.73663	0.7
267.15942	18.5
267.18637	1.4
285.16977	66.0
286.17331	1.4
287.18634	0.8
313.27527	2.1
339.29080	0.8
341.30527	71.7
342.30899	1.6
493.39084	3.7
505.37820	0.7
532.72302	0.8
533.42023	14.2
534.42126	0.8
551.43127	100.0
552.43500	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	747.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
54.90106	0.4
55.01879	0.7
55.05514	1.2
57.03444	2.0
61.02934	4.6
65.03960	0.6
67.05505	5.0
68.65320	0.5
69.03440	3.3
69.07082	1.9
70.18189	1.3
71.01363	0.4
71.05004	0.7
73.02929	4.0
73.44518	0.4
79.05501	4.1
81.03429	1.7
81.07056	6.4
83.08626	1.4
85.02924	4.3
85.06585	0.5
86.09687	0.6
91.03959	3.0
91.05495	2.9
93.07047	5.3
95.04988	0.6
95.08604	2.3
97.02883	4.4
97.03326	0.3
99.04482	0.8
101.02401	1.5
105.07042	3.2
107.08599	2.2
109.02887	0.8
109.10181	1.1
115.03966	0.4
116.36007	0.4
117.07052	1.0
119.08625	1.5
121.10165	1.9
123.11730	0.5
125.00017	0.5
127.03937	1.3
129.07065	0.6
131.08601	1.4
133.10135	2.5
133.56558	0.4
135.11749	1.3
145.10146	0.7
147.11771	0.7
149.13281	0.9
159.11757	1.0
171.11752	0.4
184.07401	1.7
185.04285	1.1
195.13885	0.9
221.14024	0.4
226.25009	0.4
235.12935	1.1
243.08292	2.5
249.14130	0.5
259.20462	0.5
301.09006	1.3
343.86722	0.5
373.11459	0.6
385.18298	0.7
453.20947	9.8
465.21011	1.0
469.20151	0.8
500.34875	0.5
517.28284	0.4
525.23151	1.1
535.28778	5.6
543.12122	0.5
550.64252	0.5
583.51849	0.5
609.31970	0.7
747.42926	100.0
748.43164	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	747.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01867	0.4
55.05505	0.9
57.03444	1.6
60.50978	0.3
61.02927	5.1
67.05511	4.0
67.32207	0.3
69.03427	2.9
69.07056	0.7
69.77541	0.7
69.77950	1.0
71.01344	0.3
71.05017	0.4
71.55516	0.3
73.02921	3.6
79.05499	3.3
81.03419	3.2
81.07066	3.6
82.40887	0.3
83.08625	1.1
85.02904	5.4
91.03960	2.8
91.05483	3.3
93.07053	2.8
95.04969	1.2
95.08609	2.3
97.02908	4.4
99.04453	0.8
101.02383	2.1
105.07036	1.9
107.08604	1.4
109.02888	0.7
109.10190	1.0
111.08099	0.4
115.03959	0.5
119.08603	1.3
121.10175	1.5
123.52085	0.3
127.03944	1.3
128.66805	0.3
129.06963	0.5
131.08600	1.2
133.10162	1.4
135.11729	0.7
145.10156	0.5
147.11745	1.2
149.13310	0.5
157.10185	0.5
175.11224	0.5
184.07388	0.4
185.04297	0.7
193.12349	1.0
211.13356	0.3
243.08365	1.8
251.12689	0.9
269.31812	0.3
307.15186	0.5
335.25955	0.4
337.97061	0.3
348.29974	0.3
469.20490	7.7
519.29266	3.7
667.09277	0.3
747.42902	100.0
748.43298	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	747.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
54.69838	0.4
55.01851	0.6
55.05515	1.3
57.01680	0.4
57.03435	1.4
59.27177	0.4
61.02927	4.1
65.03926	0.4
67.05503	4.6
68.23435	0.4
69.03435	2.9
69.07063	2.3
69.52098	2.8
71.04990	0.6
73.02926	3.3
79.05504	3.9
81.03418	1.2
81.07065	5.6
82.57598	0.4
83.08634	1.3
85.02924	4.4
86.09710	1.2
91.03955	2.5
91.05480	2.8
93.07051	6.4
95.08610	2.5
97.02906	3.4
97.06580	0.6
98.20811	0.8
99.04493	1.2
101.02399	1.2
105.07033	2.9
107.08589	2.4
109.02899	0.7
109.10198	0.7
117.07056	1.4
119.08604	1.5
119.98273	0.4
121.10155	2.1
126.07149	0.5
127.03944	1.1
131.08589	1.2
133.10161	1.7
135.11707	1.4
135.31140	0.4
143.08565	0.5
145.10107	0.6
147.11688	1.1
149.13239	2.0
159.11771	1.2
184.07347	3.1
185.04303	1.1
203.05394	0.6
230.43935	0.4
235.13060	1.3
241.88684	0.4
243.08437	2.7
259.20761	0.8
269.17407	1.0
281.22726	0.4
291.15485	0.5
301.08954	1.3
315.10699	1.0
333.16687	0.6
373.11603	0.5
385.17838	0.5
443.18878	0.6
453.20947	10.1
453.26682	0.7
465.21036	0.8
525.23352	1.6
535.28906	6.2
567.27124	0.5
609.33441	0.5
677.35590	0.5
747.42926	100.0
748.43176	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	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01850	0.4
55.05516	1.3
55.05744	0.2
57.03436	1.9
59.94345	0.2
61.02926	6.0
65.03940	0.3
67.05505	5.2
68.05825	0.2
69.03084	0.3
69.03429	3.2
69.07073	1.2
71.01355	0.5
71.04993	0.8
73.02918	4.0
78.14688	0.2
79.05500	3.4
81.03417	3.1
81.07062	5.2
83.08623	0.8
85.02908	7.0
87.04473	0.5
91.03960	4.3
91.05483	2.9
93.07046	3.8
93.07625	0.2
95.00036	0.2
95.04954	1.0
95.08611	3.6
95.09177	0.3
97.02293	0.4
97.02893	5.5
97.06522	0.3
97.10181	0.2
99.04470	0.8
99.08115	0.2
101.02385	2.4
103.04002	0.4
105.07037	1.9
107.08600	1.8
109.02876	0.6
109.06492	0.3
109.09586	0.2
109.10183	1.3
111.08113	0.3
115.03944	0.3
117.07048	0.5
117.91219	0.2
119.08608	1.4
121.10143	1.7
123.11739	0.3
127.03923	1.6
129.07045	0.3
131.08592	1.0
133.10144	1.3
135.11739	0.8
145.05035	0.3
145.10141	0.6
147.11710	0.8
149.09758	0.2
149.13332	0.4
157.10179	0.6
159.11740	0.4
161.13109	0.2
173.13306	0.4
175.11217	0.4
175.14963	0.2
179.14268	0.2
184.07382	0.3
185.04274	0.8
191.60344	0.2
193.12323	0.7
211.13275	0.5
229.05997	0.2
243.08420	2.1
251.12543	1.2
307.15353	0.2
335.25970	0.7
469.20428	4.0
519.29327	6.8
520.30054	0.4
535.29022	0.2
548.39563	0.2
747.42908	100.0
748.43164	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	746.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01882	1.5
55.05270	1.9
55.05513	18.4
55.51122	1.2
57.03446	11.6
57.07081	7.2
61.02922	3.9
65.03926	1.5
67.05178	0.9
67.05505	25.3
69.03421	2.6
69.06722	2.1
69.07069	22.3
69.75785	6.7
71.04978	3.7
71.08613	3.2
73.42371	1.1
79.05491	15.0
81.03423	39.9
81.06592	1.8
81.07057	30.9
83.04990	12.0
83.08622	29.3
85.02914	18.3
85.06542	2.3
85.10197	2.5
89.85645	1.2
91.05485	20.4
93.07046	17.5
93.92705	1.2
95.04973	16.5
95.08060	1.8
95.08617	20.8
97.02885	3.3
97.06528	4.8
97.10178	10.4
97.80753	1.3
98.20845	1.8
99.08074	2.4
105.07041	16.2
107.04955	4.0
107.08602	7.9
109.06511	3.5
109.10168	8.5
111.08097	7.9
111.11742	2.4
112.36443	1.2
113.05975	1.5
119.08568	12.5
121.06524	1.5
121.10157	10.9
123.08067	2.2
123.11707	3.9
125.09638	2.6
127.46068	1.3
129.06992	6.1
131.08556	6.4
133.06505	2.2
133.10114	8.8
135.11688	3.7
137.09656	1.6
138.61501	1.2
142.07803	2.2
147.08076	1.8
147.11696	10.9
149.09642	3.9
149.13324	1.8
157.10136	9.1
165.12820	2.5
175.11198	11.1
193.12260	26.9
196.21245	1.2
211.13312	50.4
228.66020	1.2
229.79330	1.4
247.23926	1.4
248.76953	1.2
265.25293	2.0
267.15952	17.5
285.16980	61.7
286.17484	1.7
339.28952	66.5
531.40466	16.0
549.41541	100.0
550.41571	2.9
746.44098	3.6
747.42035	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	745.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.05509	2.0
57.03434	2.4
61.02928	6.2
67.05511	8.7
68.05847	0.7
69.03433	3.2
69.07060	1.8
70.45543	0.6
71.04990	0.7
71.07325	0.6
71.53317	0.5
71.81425	0.5
73.02919	4.6
79.05495	5.6
81.03431	3.0
81.07062	9.1
82.07387	0.7
83.04963	0.9
83.08607	1.8
84.62634	0.6
85.02895	6.2
86.09714	2.1
86.53529	0.6
91.03963	3.1
91.05482	3.3
93.04169	0.5
93.07046	7.9
94.07372	0.8
95.04993	1.1
95.08610	6.0
97.02893	4.8
99.04494	1.4
101.02399	2.1
105.07040	2.2
107.05000	0.6
107.08602	3.8
107.89780	0.5
109.10152	1.9
111.08126	0.7
117.07030	0.9
119.08578	2.0
121.10145	3.0
123.11649	0.8
125.00027	1.2
127.03907	1.0
131.08565	1.6
133.10165	1.6
135.11707	3.6
145.10162	1.6
147.11697	1.1
163.11224	2.0
184.07353	6.4
185.07726	0.7
194.12755	0.8
221.68561	0.5
227.12901	1.2
243.08469	2.6
249.10979	14.1
249.13402	0.9
287.18207	0.6
288.18921	0.9
288.22244	0.6
305.13733	1.0
335.25851	2.0
336.26251	2.0
337.26480	0.9
389.76730	0.6
440.13086	0.6
467.18851	5.5
504.37546	1.4
519.29309	7.3
530.39313	1.1
546.38580	1.2
547.39246	2.4
548.39362	3.8
574.60052	0.7
745.41278	100.0
746.41986	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	746.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29837	0.3
55.05514	0.5
56.05024	0.5
56.24537	0.3
57.03433	0.5
58.06590	0.3
60.08166	6.8
60.72275	0.3
67.05512	2.6
69.03416	0.4
69.07065	0.7
70.06565	0.3
71.07369	3.2
71.53030	0.3
71.53407	0.4
74.59431	0.3
79.05476	1.4
81.03407	0.3
81.07055	1.7
83.04961	0.4
83.08603	0.5
85.02925	0.4
86.09710	28.6
91.05492	1.2
93.07046	1.3
95.04947	0.5
95.08603	0.8
97.06525	0.4
97.10133	0.4
98.98471	3.1
103.80286	0.3
104.10738	2.5
105.07023	1.1
107.04987	0.5
107.08588	1.1
109.06549	0.3
109.10120	1.6
110.33705	0.3
119.08585	0.5
125.00013	20.4
133.10146	0.4
147.11708	0.5
155.42941	0.3
173.11739	0.5
184.07353	100.0
227.12724	0.8
229.14365	2.6
269.17493	0.5
275.20129	0.9
288.86472	0.4
349.23691	0.9
380.18188	0.3
423.27466	1.8
503.33566	1.3
531.36658	0.5
728.45062	13.2
729.45551	0.8
745.53131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.8
55.05514	0.8
55.08909	0.5
67.05510	2.4
69.03430	0.7
69.92357	0.5
70.06578	0.9
71.53040	0.6
79.05502	0.8
81.03419	2.8
81.07040	0.8
83.04993	0.7
85.02921	1.1
90.50204	0.6
91.05478	0.8
93.07069	1.2
95.04991	1.0
97.02917	0.9
102.39525	0.5
105.07043	0.7
107.04922	0.8
107.08621	0.8
109.02890	0.7
109.10202	1.3
127.03919	0.6
129.07071	0.6
131.08585	0.6
139.03984	0.6
154.69203	0.5
165.09082	0.6
193.12332	1.4
211.13358	0.8
228.97208	0.5
229.14461	0.8
238.53748	0.6
267.09088	1.3
267.15988	1.0
285.10184	1.7
293.24582	0.6
439.27454	0.6
485.17181	2.1
583.31158	1.7
745.34131	100.0
746.34210	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	745.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.05507	1.5
56.14943	0.4
57.03430	1.7
61.02929	5.1
67.05505	7.6
68.05824	0.5
69.03429	3.2
69.07067	1.6
71.01351	0.9
71.04998	0.9
71.53163	0.6
73.02921	4.2
79.05498	4.4
80.61631	0.4
81.03433	2.2
81.07059	7.2
82.07391	0.6
83.04995	0.7
83.08621	1.2
85.02910	4.4
86.09697	1.7
89.99361	0.4
91.03958	2.8
91.05474	2.6
93.07043	6.3
94.07404	0.8
95.04964	0.8
95.08608	5.3
96.08926	0.6
97.02885	4.1
97.06490	0.6
99.04444	0.8
99.28455	0.5
101.02376	1.6
105.07049	1.5
106.07407	0.4
107.04911	0.4
107.08591	3.2
108.08932	0.5
109.02950	0.5
109.10147	1.5
117.07030	0.7
119.08589	1.6
121.10170	2.5
123.11733	1.0
125.00020	1.6
127.03960	0.9
131.08565	1.0
133.10147	1.2
135.11719	1.8
145.10138	1.6
159.11685	0.6
163.11240	1.6
184.07344	5.4
185.04318	0.5
185.07788	0.9
212.72736	0.4
219.09967	0.7
227.12863	0.9
243.08476	1.6
249.11000	9.5
250.59532	0.4
261.22208	0.7
286.17493	0.4
287.18417	0.6
305.13504	1.0
335.25739	2.1
336.26196	1.5
467.18988	4.6
504.37759	1.9
519.29248	8.1
520.29474	0.4
530.39160	0.8
546.38824	0.9
547.38940	0.7
548.39978	2.0
583.36426	0.5
745.41290	100.0
746.41608	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	744.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01859	2.3
55.05275	1.9
55.05511	19.2
57.03441	12.4
57.07060	3.7
61.02914	3.6
65.03951	2.1
67.05507	48.2
69.03426	3.4
69.07070	19.1
69.17481	4.9
69.17903	8.9
71.04998	6.4
71.08628	2.0
79.05494	25.0
81.03423	38.7
81.07058	48.1
82.07384	1.4
83.04975	10.4
83.08621	25.0
85.02906	16.7
85.06556	2.3
91.05484	25.2
93.07041	25.2
95.04979	18.0
95.07996	1.5
95.08607	28.9
97.02879	4.4
97.06532	3.3
97.10171	5.9
105.07034	15.6
107.04953	4.8
107.08591	12.8
109.06513	3.9
109.10165	20.7
111.04437	1.9
111.08070	8.9
113.05983	2.6
117.07016	1.9
119.08575	16.8
121.10139	11.0
121.17672	1.5
123.08044	2.0
123.11712	6.4
125.09566	3.0
129.07002	7.2
130.53590	1.4
131.08586	9.2
133.10121	10.3
135.11670	5.5
137.09576	2.4
137.13219	1.3
142.07782	2.1
145.10104	2.7
147.08160	1.9
147.11670	14.5
149.09625	3.4
149.13243	1.8
151.14862	1.2
157.10152	8.7
159.11751	1.7
161.13252	1.9
163.11200	3.8
165.12755	2.7
173.13274	1.3
175.11183	8.7
175.14801	1.9
178.45793	1.3
182.78122	1.2
184.07195	1.2
184.25710	1.2
186.65314	1.3
193.12256	25.3
211.13295	47.5
224.25035	1.2
245.22702	1.7
255.16066	2.6
261.22189	1.7
263.23743	3.0
267.15918	15.6
285.16980	64.8
287.18585	1.8
290.96173	1.4
311.25708	1.7
320.42499	1.6
335.25659	7.1
336.26169	1.6
337.27368	61.0
489.35831	12.2
515.37628	2.5
529.38745	12.3
547.39966	100.0
548.40369	2.8
697.20880	1.4
744.45459	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	744.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01869	0.9
55.05517	15.4
57.03447	7.2
57.07077	3.1
59.05009	2.5
61.02929	3.9
65.03944	3.2
67.05509	98.9
69.03442	2.6
69.07074	13.1
69.17356	7.1
71.04997	23.0
71.08642	0.9
77.03950	1.0
79.05500	35.9
81.03432	5.2
81.07062	45.7
83.04980	4.8
83.08624	9.3
85.02910	4.3
85.06548	3.6
87.04449	0.6
91.03958	0.7
91.05486	24.1
93.07048	43.7
95.04968	5.2
95.08613	34.6
97.02899	1.6
97.06548	3.8
97.10184	2.6
99.04477	1.0
99.08098	1.4
105.07037	13.6
105.68529	0.6
105.71450	0.7
107.04985	1.4
107.08601	21.8
107.09306	1.4
109.06509	1.9
109.10164	67.9
110.10534	0.7
111.08092	4.1
111.88577	0.7
117.07047	5.3
119.08592	19.8
121.10148	15.3
123.08064	1.1
123.11759	3.8
125.09639	1.5
129.06992	1.2
131.08571	7.6
133.10143	7.6
135.08055	1.0
135.11703	16.7
137.09621	8.3
139.11215	1.4
143.08595	1.0
145.10130	7.4
147.11711	6.5
149.13280	4.1
151.11159	0.9
155.10690	3.8
157.10170	1.8
159.11722	4.5
161.13316	3.6
163.11235	2.5
163.14874	2.0
165.12808	1.2
169.12294	1.2
171.11780	0.9
173.11772	6.5
173.13318	2.7
175.11198	1.5
175.14906	1.0
181.12245	2.0
184.07364	1.4
187.13329	1.2
187.14882	1.7
193.12341	2.3
211.13231	4.2
213.14937	0.7
229.14388	1.4
243.15855	1.6
255.15871	4.7
259.20630	1.0
261.22256	2.6
267.15915	2.0
269.17474	1.7
285.17068	4.4
287.18546	20.2
317.24835	1.2
335.25818	31.0
336.26248	1.2
337.27411	4.9
379.29929	0.8
397.31232	1.6
410.20947	0.8
471.34805	2.7
489.35782	100.0
490.36050	3.4
503.37256	2.5
515.37402	14.5
529.38885	3.0
533.38843	1.5
547.39978	92.9
548.40399	3.9
565.40717	0.9
744.46631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01859	2.3
55.05275	1.9
55.05511	19.2
57.03441	12.4
57.07060	3.7
61.02914	3.6
65.03951	2.1
67.05507	48.2
69.03426	3.4
69.07070	19.1
69.17481	4.9
69.17903	8.9
71.04998	6.4
71.08628	2.0
79.05494	25.0
81.03423	38.7
81.07058	48.1
82.07384	1.4
83.04975	10.4
83.08621	25.0
85.02906	16.7
85.06556	2.3
91.05484	25.2
93.07041	25.2
95.04979	18.0
95.07996	1.5
95.08607	28.9
97.02879	4.4
97.06532	3.3
97.10171	5.9
105.07034	15.6
107.04953	4.8
107.08591	12.8
109.06513	3.9
109.10165	20.7
111.04437	1.9
111.08070	8.9
113.05983	2.6
117.07016	1.9
119.08575	16.8
121.10139	11.0
121.17672	1.5
123.08044	2.0
123.11712	6.4
125.09566	3.0
129.07002	7.2
130.53590	1.4
131.08586	9.2
133.10121	10.3
135.11670	5.5
137.09576	2.4
137.13219	1.3
142.07782	2.1
145.10104	2.7
147.08160	1.9
147.11670	14.5
149.09625	3.4
149.13243	1.8
151.14862	1.2
157.10152	8.7
159.11751	1.7
161.13252	1.9
163.11200	3.8
165.12755	2.7
173.13274	1.3
175.11183	8.7
175.14801	1.9
178.45793	1.3
182.78122	1.2
184.07195	1.2
184.25710	1.2
186.65314	1.3
193.12256	25.3
211.13295	47.5
224.25035	1.2
245.22702	1.7
255.16066	2.6
261.22189	1.7
263.23743	3.0
267.15918	15.6
285.16980	64.8
287.18585	1.8
290.96173	1.4
311.25708	1.7
320.42499	1.6
335.25659	7.1
336.26169	1.6
337.27368	61.0
489.35831	12.2
515.37628	2.5
529.38745	12.3
547.39966	100.0
548.40369	2.8
697.20880	1.4
744.45459	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	744.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.9
53.23460	1.2
55.01878	10.3
55.05275	2.4
55.05519	28.8
57.03444	20.5
57.07066	2.0
61.02922	3.5
65.03925	2.6
67.05508	87.0
69.03429	8.3
69.06728	2.2
69.07076	29.6
71.01344	4.8
71.04988	9.1
73.02897	2.1
79.05498	74.0
81.03416	13.9
81.07060	64.2
82.07313	1.2
83.04980	14.3
83.08633	14.9
84.44731	1.1
85.02901	5.5
85.06549	5.5
90.29011	1.4
91.05487	45.3
93.07050	83.8
95.04995	11.5
95.08614	30.4
96.21590	1.2
97.02909	3.2
97.06535	29.7
97.10171	19.1
98.21519	3.5
99.04470	3.0
99.08091	3.2
103.05479	1.7
105.07041	30.0
105.91866	1.3
107.04961	11.9
107.07880	2.9
107.08605	60.6
109.02901	2.6
109.06536	6.5
109.10160	11.6
111.08085	4.9
111.11710	2.0
113.09691	1.4
115.05422	2.2
117.07029	17.7
119.08596	25.5
121.06507	4.2
121.10139	19.2
124.99961	1.7
125.09668	7.1
127.03937	3.7
129.06985	3.9
131.08589	15.5
133.10150	21.7
135.08049	5.6
135.11696	62.8
137.09621	3.5
143.08543	5.2
145.10130	21.9
147.06923	1.3
147.11710	9.5
149.09642	16.1
149.13246	8.0
151.11220	1.7
153.12738	2.4
155.08609	1.5
157.10110	4.3
159.11740	10.8
161.13277	4.6
163.11182	15.8
168.09303	1.4
169.10130	2.5
171.10263	1.6
171.11687	2.8
173.04483	1.9
173.13306	6.6
177.12788	3.6
179.14252	2.4
181.12270	14.0
183.11703	1.6
184.07365	6.3
187.11211	1.4
187.14903	2.5
189.11229	3.7
195.13890	3.4
197.13286	2.2
199.13312	2.6
227.12788	17.8
229.19582	2.5
233.18942	1.3
239.18050	2.4
247.20479	2.0
255.15924	100.0
256.16272	1.8
257.18997	8.2
269.17532	11.9
275.20084	40.5
293.21042	2.4
321.23807	1.4
331.22668	3.2
342.41592	1.4
349.23712	24.0
351.21848	2.1
409.25742	4.3
425.25400	8.1
433.29599	3.5
435.27499	21.0
436.28210	1.4
449.29022	93.1
450.29025	2.9
489.31744	1.5
511.34424	3.1
529.35297	66.3
530.35406	2.7
547.36511	10.2
593.33051	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.1
55.01881	3.9
55.05265	0.9
55.05515	13.8
57.03442	15.2
57.07059	1.6
61.02915	2.2
61.42447	0.6
65.03931	2.0
65.49734	0.7
67.05508	53.5
69.03432	3.9
69.07073	19.5
71.01363	2.9
71.04994	5.3
71.52917	0.8
77.03918	0.9
78.68044	0.6
79.05497	48.6
81.03421	8.4
81.07061	44.9
83.04983	10.4
83.08623	7.1
84.20582	0.6
85.02924	3.4
85.06544	4.2
86.09696	1.1
91.03934	0.7
91.05486	27.2
93.07048	53.7
95.04978	6.6
95.08607	17.7
97.02908	2.5
97.06532	14.9
97.10178	9.5
99.04451	1.6
99.08093	2.7
105.04497	1.4
105.07042	16.2
105.79333	0.7
107.04964	4.5
107.08600	32.6
109.02888	1.0
109.06516	2.2
109.10168	7.3
111.08077	2.6
115.05518	0.7
117.07023	10.2
119.08588	14.5
121.06505	3.8
121.10147	12.6
123.08057	1.7
123.11707	2.1
125.09630	1.7
127.03939	1.6
128.06227	0.6
129.06978	1.4
131.08560	8.3
133.10138	12.9
135.08067	2.6
135.11697	43.0
137.09625	2.4
141.06920	0.8
143.08566	2.9
145.10133	11.1
147.11711	3.5
149.09628	6.2
149.13283	6.9
151.11201	1.9
153.12749	0.7
156.09427	0.7
157.10150	2.1
159.08055	0.9
159.11690	7.7
161.09602	1.2
161.13248	1.9
163.11197	8.7
169.10176	0.9
171.11729	1.7
173.04459	1.0
173.13261	2.2
173.29477	0.6
175.11293	0.6
177.12779	1.7
179.14372	1.6
181.12253	8.2
183.11664	1.5
184.07375	2.8
187.14880	0.8
195.13805	3.8
199.13312	1.6
217.15962	0.7
227.12825	0.9
229.19510	0.8
239.17969	1.5
247.20554	0.9
253.14355	1.2
255.15919	65.8
256.16107	0.8
257.19080	3.2
267.15988	1.3
269.17474	15.4
269.20175	1.0
275.20078	13.4
291.19275	0.6
293.21103	1.8
314.23224	0.7
331.22748	1.1
339.18060	0.8
349.23740	7.7
351.22034	0.7
355.12729	0.7
367.24747	1.8
409.25870	1.5
425.25125	0.9
431.27924	1.1
433.29727	0.9
435.27463	20.8
436.27832	0.8
449.29004	100.0
450.29373	3.5
465.28256	0.8
489.32309	0.8
511.34183	1.2
515.30127	0.6
529.35309	22.7
530.36273	0.7
547.36395	6.0
593.33032	1.9
704.03015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.05512	2.1
55.74004	0.6
57.03439	1.8
61.02929	4.9
67.05512	6.3
67.73779	0.8
69.03448	2.5
69.07059	2.0
71.04982	1.2
71.08631	0.7
71.54171	0.7
72.68805	0.7
73.02934	3.4
77.80785	0.6
79.05505	4.9
81.03455	3.4
81.07063	6.2
83.08643	1.6
85.02913	5.4
91.03963	2.9
91.05476	2.5
93.07046	5.2
95.04980	1.1
95.08596	4.5
97.02897	3.8
99.04457	1.1
101.02380	1.8
105.07041	3.3
107.08616	2.9
109.02905	0.7
109.10199	1.3
112.94931	0.7
117.07026	0.8
119.08598	1.8
121.10165	2.1
123.11717	0.7
127.03917	1.6
129.07034	1.0
131.08563	0.9
133.10126	1.9
134.65280	0.9
135.11708	1.5
145.10124	1.1
147.11745	1.3
161.13289	0.9
243.08516	2.6
247.13307	1.6
311.28314	0.9
335.25925	1.1
376.12021	0.7
386.73792	0.7
465.21021	4.3
490.43799	0.7
519.29291	7.3
546.39026	0.8
625.67993	0.7
627.46027	1.2
634.96497	0.8
743.43481	100.0
744.43848	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	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.5
55.01863	2.7
55.05513	21.9
57.03443	16.9
57.07059	1.0
60.18349	0.8
61.02921	3.7
65.03938	2.6
66.08086	1.0
67.05509	51.5
69.03429	3.7
69.06734	1.1
69.07074	14.8
69.25709	7.9
69.26096	1.7
71.05006	5.3
77.03916	1.3
79.05497	43.0
81.03424	52.8
81.07061	53.3
83.04990	14.0
83.08150	1.8
83.08624	20.1
85.02906	22.6
85.06554	1.7
88.72737	0.9
91.03957	2.9
91.05488	38.5
93.07046	36.7
95.04980	24.6
95.08612	33.2
97.02893	4.2
97.06527	3.6
97.10173	4.8
98.20789	1.8
99.08078	2.3
105.07037	27.7
107.04967	6.3
107.08597	18.7
109.06557	4.6
109.10155	11.6
111.04466	2.1
111.08074	9.5
113.05994	2.0
117.07009	4.9
119.08589	22.4
121.06520	1.8
121.09343	1.1
121.10149	19.2
123.08070	3.0
123.11724	4.4
125.09628	1.9
125.54090	0.9
129.07007	9.9
131.08578	15.6
133.06474	2.6
133.10155	14.2
135.11705	6.9
137.09587	1.2
137.13174	1.1
142.07780	2.5
145.10121	5.5
147.08058	2.2
147.10648	0.7
147.11697	15.7
149.09636	4.9
149.13246	3.9
157.10130	10.5
159.11687	5.0
161.13301	1.4
163.14796	1.3
165.12752	3.3
173.13245	3.0
175.11198	14.6
175.14888	1.6
184.89128	1.1
187.14844	1.8
193.12253	42.9
211.13300	68.4
212.13666	1.4
243.21133	2.8
261.22171	9.1
267.15918	16.8
283.15472	1.0
285.16980	80.1
286.17291	1.7
317.24811	2.1
335.25818	74.8
336.26117	1.3
412.84079	1.0
435.32593	2.3
453.34012	2.0
461.81351	1.0
471.34695	1.8
527.37323	12.5
545.38403	100.0
546.38617	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	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.8
55.01867	3.1
55.05513	24.0
56.59613	1.4
57.03435	14.0
57.07067	4.8
61.02913	3.8
65.03933	3.3
67.05509	75.5
69.03438	2.8
69.07072	27.5
69.75527	1.2
70.53839	1.5
71.04998	6.6
71.26395	1.8
71.26772	1.8
71.70155	1.3
73.02930	1.8
79.05496	68.6
81.03435	9.9
81.07059	100.0
81.43813	1.2
83.04990	7.9
83.08621	20.8
85.02906	5.6
85.06528	5.2
89.21271	1.3
91.03941	1.6
91.04896	2.6
91.05483	69.1
93.07048	82.6
95.04975	9.2
95.08611	39.8
97.02899	1.8
97.06535	12.6
97.10172	3.1
99.08064	3.6
103.05453	1.5
105.04513	2.8
105.07039	57.3
107.04958	3.0
107.08598	49.2
109.06526	3.1
109.10162	11.2
111.08060	4.2
115.05421	1.9
117.07013	26.8
119.08584	44.0
121.06474	3.2
121.10146	29.0
123.08064	2.3
123.11726	7.1
127.71712	1.5
129.05499	1.4
129.07034	8.6
131.08571	29.7
133.10136	49.0
135.08080	3.3
135.11710	26.8
137.09589	1.7
139.11160	1.4
141.07011	1.7
143.08585	10.2
144.09392	1.5
145.10130	13.7
147.11690	36.7
149.09628	4.3
149.13271	22.5
151.11172	2.5
156.09381	1.5
157.10121	10.7
159.11708	25.1
161.13269	23.5
163.11235	2.1
163.14909	2.6
165.12700	3.1
169.10120	2.3
171.11742	8.9
173.13208	8.0
175.11275	2.1
175.14783	6.7
177.12694	4.8
183.11729	2.2
184.07355	2.4
185.13329	8.0
185.14871	1.1
187.14824	3.7
193.12314	2.7
195.13817	21.6
197.13292	1.5
199.14796	4.0
213.14731	2.7
231.21140	6.0
241.19536	23.1
243.21115	2.2
259.20587	69.3
261.22134	4.3
267.15872	16.4
269.17480	83.6
270.17639	1.4
277.21756	1.7
285.16904	4.4
289.21613	1.5
315.23193	4.8
333.24255	81.1
334.24466	2.7
335.25769	10.1
345.38818	1.3
351.25436	1.4
380.95587	1.2
435.32593	5.5
453.33524	4.3
471.34573	2.8
509.36212	5.3
527.37366	71.8
528.37585	3.0
544.37091	1.7
545.30573	1.8
545.38416	26.3
546.38391	1.7
628.50201	1.4
671.40387	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.01876	2.9
55.05519	19.7
57.03445	15.8
57.07066	5.0
61.02933	2.0
65.03931	3.0
67.05512	79.4
69.03421	1.7
69.07074	29.9
70.04013	4.3
71.04999	6.9
71.08630	1.3
72.57260	1.0
73.02915	1.8
73.40455	1.0
74.50411	1.0
76.92229	1.2
77.03931	1.3
79.05501	59.8
81.03444	6.5
81.07066	94.8
83.04994	8.3
83.08631	16.1
85.02904	5.0
85.06554	5.6
86.09698	2.2
91.05492	65.8
93.07055	89.8
95.04987	8.2
95.08621	38.4
97.02902	2.8
97.06554	13.7
97.10187	3.9
98.20802	1.7
99.08102	4.6
103.05463	1.7
105.04509	1.8
105.07043	59.5
107.04972	1.4
107.08606	52.1
109.06515	4.7
109.10168	11.9
111.08093	7.7
113.09690	1.3
115.05424	2.1
115.14197	1.2
117.07036	21.2
119.08593	49.9
121.06544	2.2
121.10156	35.3
123.08098	2.3
123.11710	6.2
124.99969	1.1
125.09629	2.6
128.06265	1.8
129.07013	9.2
130.07869	1.3
131.08591	27.8
133.10147	44.8
135.08064	4.2
135.11705	21.7
137.09628	1.3
139.11197	2.0
141.06992	2.8
142.07817	2.0
143.08591	9.0
145.10132	16.6
147.11702	35.2
149.09641	3.3
149.13275	38.8
151.11194	1.9
155.08574	2.5
157.10150	12.4
159.11707	27.4
161.13277	26.2
163.11154	2.4
163.14845	2.9
165.12804	2.8
169.10211	1.2
171.11703	10.4
173.13281	10.6
175.11232	2.3
175.14845	10.4
177.12726	8.5
179.14293	1.2
183.11714	1.4
184.07314	5.5
185.13275	8.3
187.14864	4.0
189.12787	1.7
193.12283	1.3
195.13821	11.7
197.13261	1.8
199.14844	6.0
211.13158	1.3
213.16472	2.8
217.16023	1.4
217.19511	1.8
231.21117	5.3
241.19556	26.9
243.20950	1.3
257.19043	2.4
259.20602	77.0
260.21115	1.1
261.22098	2.8
267.15955	13.9
269.17499	100.0
277.21643	1.3
285.16895	1.6
315.23105	6.2
333.24258	60.3
335.25674	2.1
339.18109	2.1
351.25238	2.1
357.18942	1.2
393.25580	1.3
417.31567	1.3
435.32816	5.5
453.33548	4.8
471.34494	3.2
498.18082	2.0
509.36166	4.0
517.38763	2.9
527.37396	79.5
528.37354	2.6
545.38495	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.7
55.01871	1.9
55.05513	16.7
57.03442	14.0
57.07065	1.7
61.02944	4.0
65.03941	1.9
67.05507	46.3
69.03413	2.5
69.07069	12.5
69.28254	5.2
69.28658	1.3
71.04997	4.1
72.56916	0.8
73.02921	2.0
77.03938	0.9
79.05495	38.6
80.11563	0.7
81.03423	38.7
81.07059	46.8
83.04987	10.1
83.08622	16.8
85.02438	1.2
85.02912	17.1
85.06526	1.2
86.45277	0.8
91.03962	2.0
91.04901	1.6
91.05482	33.3
93.07046	34.2
95.04974	15.6
95.08611	32.0
97.02903	4.1
97.06523	3.2
97.10175	4.8
99.08081	1.2
105.04563	1.2
105.07034	22.0
107.04961	4.5
107.08607	17.9
109.06535	3.7
109.10162	11.2
111.04446	1.5
111.08088	7.2
113.05994	1.2
117.07012	4.2
119.07800	1.5
119.08582	17.3
121.06495	1.3
121.10151	17.3
121.71833	0.8
123.08084	2.6
123.11722	3.2
125.09629	2.0
129.07018	7.0
131.08575	13.6
133.06500	2.0
133.10144	12.6
135.11688	7.5
136.03798	0.7
137.09624	1.4
142.07742	2.1
145.10107	5.8
147.08043	1.7
147.11688	11.9
149.09657	3.9
149.13200	3.4
155.08525	0.9
157.10155	9.2
158.57277	0.8
159.11697	3.5
159.61186	0.6
161.13264	2.7
161.24910	0.7
163.11180	1.4
163.14850	1.5
165.12785	2.6
171.11703	1.0
173.13268	2.4
175.11195	8.6
175.14822	1.0
175.67642	0.7
177.16451	1.1
187.14764	2.0
193.12250	28.8
211.13297	38.4
212.10909	0.7
227.12643	1.1
242.54799	0.8
243.21124	2.8
255.70158	0.7
261.22125	9.1
267.15924	11.8
285.16971	50.7
286.17230	1.3
299.23767	0.9
299.50369	0.7
317.24838	2.1
335.25809	79.6
336.26160	1.0
373.51343	0.8
435.32401	1.3
441.15634	0.8
453.33688	1.5
465.89883	0.7
471.34732	1.6
527.37421	12.4
545.38385	100.0
546.38629	3.3
555.54968	0.9
622.37762	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	1.9
55.01802	2.4
55.05440	8.9
55.05741	1.5
57.03364	5.4
60.26923	0.6
61.02868	0.9
67.05421	11.3
67.05823	1.2
69.03351	2.0
69.06983	4.0
69.88523	2.6
70.06531	1.3
71.04911	3.8
71.36613	0.5
79.05407	15.3
81.03329	35.0
81.06971	14.0
81.07478	1.1
83.04896	4.3
83.08531	10.7
83.09051	0.9
85.02851	1.1
85.06496	0.9
86.98711	0.6
91.05485	12.6
93.07048	12.8
93.07592	0.7
95.04972	17.7
95.05541	1.1
95.08605	5.3
97.02830	1.4
97.06530	3.1
97.10172	12.7
105.04453	0.5
105.07034	8.9
107.04961	11.7
107.08592	8.3
109.02790	1.0
109.06521	12.7
109.10150	4.6
111.04382	0.9
111.08095	4.0
113.05905	0.8
115.05412	0.7
117.06999	4.0
119.04908	0.9
119.08587	8.2
121.06505	10.2
121.10143	8.4
123.04359	1.0
123.08097	3.0
123.11614	0.6
125.05978	1.0
125.09623	11.1
126.09743	0.5
128.27373	0.5
129.07008	6.5
131.04849	0.8
131.08577	8.9
133.06487	3.1
133.10152	4.1
135.04318	0.7
135.08054	4.2
135.11568	1.9
137.09573	1.4
139.07497	0.7
139.11089	2.4
141.06940	1.3
142.07736	1.5
143.08475	2.1
145.06483	4.1
145.10133	4.2
147.04344	1.0
147.08041	3.3
147.11719	4.6
149.09622	3.6
149.13159	0.6
151.07393	0.6
153.09015	1.8
153.12665	0.8
155.08441	1.6
157.06421	1.0
157.10133	5.9
159.07936	1.4
159.11545	2.1
161.05820	1.0
161.09587	1.1
163.07419	0.6
163.11179	3.4
165.09160	0.6
165.12740	0.7
167.10686	1.1
169.10031	1.5
171.07957	1.3
171.10159	1.0
171.11568	1.1
173.09505	1.7
173.13266	2.5
175.10023	0.5
175.11165	5.3
177.12677	0.7
181.10059	0.7
182.10724	0.6
185.09567	0.6
185.11696	1.1
185.13220	1.0
187.11102	1.7
187.14723	1.1
189.11238	5.4
189.12714	1.2
191.10721	0.5
191.14340	3.9
193.10422	0.6
193.12251	12.0
195.11624	1.1
197.09538	1.0
197.13124	1.5
199.11346	0.7
199.13203	1.3
201.12720	0.6
202.34322	0.5
203.10651	0.6
205.12140	1.9
210.19398	0.6
211.11218	0.8
211.13211	1.6
213.12575	1.2
215.14211	2.0
217.12061	0.8
219.13818	9.4
221.11674	0.6
223.11150	1.0
223.13205	1.6
227.12634	1.8
229.14374	0.6
233.15347	3.1
237.12700	0.7
237.14851	0.8
241.14313	1.0
245.15558	1.1
249.14796	1.3
255.13928	1.1
257.15277	0.8
259.13190	1.3
259.15503	7.2
261.14847	0.8
267.15924	38.9
268.16125	1.0
269.15344	0.8
273.14774	5.2
293.17435	7.3
309.16788	0.8
321.22195	0.5
325.17639	0.6
331.20529	0.5
339.23148	2.3
349.21667	3.5
357.24164	2.3
359.22391	0.6
367.18356	1.1
367.22681	12.8
385.23740	20.6
390.94043	0.6
403.24722	8.2
433.26129	1.7
441.26398	7.8
451.26920	5.8
459.27432	97.1
460.27609	3.2
477.28497	100.0
478.28723	4.0
491.30032	9.2
495.29550	9.6
501.28510	2.2
509.31403	4.5
513.28265	0.7
527.31689	0.7
543.30048	0.7
567.29724	2.2
580.34778	0.8
585.31049	0.7
742.41382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2244
Annotation	Kaempferol 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03943	0.2
55.01872	0.2
55.05499	0.5
55.84713	0.1
57.03446	2.2
61.02931	1.3
61.62140	0.2
68.99815	0.3
69.03442	0.9
69.24694	0.6
69.25115	0.7
69.54596	0.1
71.01357	0.3
71.05003	13.0
73.02915	1.2
75.04488	0.9
80.44514	0.1
81.03429	0.3
83.05000	2.8
85.02917	16.0
87.04468	0.4
89.10913	0.1
91.03965	0.7
95.04984	0.8
97.02918	1.0
98.59592	0.1
99.04462	0.6
105.03361	0.1
107.04990	0.3
109.02890	0.4
111.00803	0.6
111.04463	2.4
113.06043	0.2
117.05521	0.4
121.02881	2.0
123.04441	0.1
125.05997	0.2
127.03941	0.9
129.05496	5.2
129.06953	0.2
133.02870	0.3
135.04408	0.3
137.02380	0.5
145.04961	0.2
145.06583	0.1
147.04407	0.4
147.06522	2.1
153.01849	2.6
153.05478	0.6
157.06509	0.3
159.06528	0.2
161.05928	0.2
163.06058	0.5
165.01868	1.5
171.06511	0.3
183.02867	0.7
185.05981	0.4
201.07634	0.3
213.05492	0.7
213.07524	0.3
231.06618	0.7
239.09113	1.0
241.05003	0.7
250.66742	0.1
255.08875	0.2
257.10266	0.4
258.05331	0.8
259.06067	0.3
269.04492	0.2
275.11401	0.3
287.05533	100.0
288.05844	1.4
299.05518	0.4
303.05057	0.2
311.05890	0.2
329.06522	0.5
353.06662	0.5
397.08978	0.3
415.10370	0.2
431.09750	0.2
433.11121	0.6
449.10818	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01873	4.6
55.05517	8.5
57.03437	4.9
57.07087	0.9
61.02921	0.8
65.03931	1.1
67.05506	24.5
69.03433	1.4
69.07070	11.9
70.78542	1.9
71.04995	1.9
72.19717	0.7
73.02917	0.7
79.05014	0.9
79.05494	20.9
81.03426	4.6
81.07059	34.7
83.04987	3.9
83.08633	7.7
85.02898	1.8
85.06554	1.3
91.05482	23.3
93.06481	1.6
93.07047	24.6
95.01329	1.7
95.04959	3.8
95.08612	15.9
97.02914	0.9
97.06534	7.7
97.10178	2.3
99.08170	1.0
103.05473	0.9
105.04573	1.1
105.07037	25.9
107.04976	6.3
107.08597	13.4
109.06527	1.3
109.10163	3.4
111.08077	2.0
115.05458	1.1
117.07035	5.9
119.08580	13.3
121.06519	1.5
121.10160	5.5
123.08081	1.7
123.11705	2.5
125.09732	1.0
129.07008	2.0
131.08572	10.7
133.10147	20.9
135.08052	2.5
135.11694	4.4
137.09570	1.1
141.07004	1.3
143.08562	1.7
145.06480	0.9
145.10114	6.2
147.11673	5.1
147.55510	0.9
149.02449	1.3
149.09612	3.2
149.13258	5.8
151.11247	1.0
155.08565	1.2
157.10170	1.0
159.11711	5.1
161.13277	2.1
161.95795	0.7
163.11186	2.6
171.11668	0.8
173.13214	1.6
175.11055	0.8
177.12799	1.7
177.16391	0.9
179.14336	3.1
179.31343	0.8
183.11742	1.6
185.13246	0.8
187.11235	1.5
191.10555	0.8
195.13834	2.9
197.13297	1.1
214.46831	0.7
227.12709	1.0
251.16553	2.3
254.82010	0.9
257.19016	1.4
269.14545	1.2
269.17484	24.7
275.20096	18.4
277.74509	0.8
283.15381	1.9
293.21326	0.9
335.25977	3.9
349.23730	10.3
363.45526	0.8
525.35974	2.1
543.36841	100.0
544.37268	3.8
561.37897	1.8
569.20789	0.8
687.41650	1.0
740.43579	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01872	5.6
55.05512	8.3
57.03430	3.7
65.03925	2.0
67.05512	21.8
69.03444	1.1
69.07075	14.9
70.40088	3.6
71.04981	3.0
78.35955	1.2
79.05065	1.5
79.05502	18.3
81.03411	4.3
81.06593	1.7
81.07066	32.4
83.04981	3.3
83.08633	5.2
85.06544	2.2
90.64990	1.0
91.05487	21.3
93.07049	25.0
95.01349	2.6
95.04948	5.0
95.08611	15.2
96.03293	1.0
97.02928	1.1
97.06542	11.1
97.10184	1.8
105.07039	27.4
107.04947	4.9
107.08598	13.7
109.06490	2.5
109.10177	3.4
111.08077	3.4
117.07022	6.9
119.08597	12.9
121.06548	1.0
121.10151	7.5
122.82574	1.0
123.08099	1.0
123.11711	1.7
125.09644	1.1
129.06999	1.2
131.08586	10.3
133.10143	17.0
135.08049	2.1
135.11728	5.0
143.08598	1.2
145.10161	4.2
147.11685	6.4
149.09630	3.7
149.13272	8.2
155.08437	1.1
157.10133	2.0
159.11674	6.9
161.13255	2.3
163.11182	3.2
169.10197	1.0
171.11688	1.3
173.13156	1.7
177.12784	2.1
179.14349	4.5
190.58215	1.1
195.13786	2.2
227.12753	1.1
251.16388	1.2
257.18942	1.1
269.17514	25.3
275.20071	26.6
276.20355	1.5
279.15958	1.5
283.15381	1.3
293.21210	2.2
311.19464	1.3
335.25784	2.8
349.23834	11.2
359.85474	1.0
525.35706	2.1
543.36877	100.0
544.37170	3.5
561.37561	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.01873	2.7
55.05516	11.1
56.27926	0.5
57.03443	7.3
57.07060	1.6
61.02917	1.0
65.03918	2.0
65.67847	0.5
67.05508	36.4
69.03411	1.6
69.06733	0.7
69.07073	10.5
69.15567	3.8
69.15979	1.0
71.04991	3.0
73.02905	1.2
73.34189	0.4
77.03897	0.5
79.05495	33.8
79.61626	0.4
81.03405	2.1
81.07060	37.9
83.05002	3.2
83.08165	0.7
83.08620	10.0
85.02880	0.9
85.06526	1.1
88.09587	0.4
91.05483	13.0
93.03413	0.5
93.07050	46.6
95.04980	5.9
95.08612	48.2
97.02894	3.3
97.06528	4.8
97.10151	2.0
99.04462	3.2
99.08105	0.9
105.04519	0.7
105.07035	11.5
107.04961	7.7
107.08599	32.4
108.08929	0.5
109.06496	2.2
109.09479	0.8
109.10159	9.8
111.04429	1.7
111.08072	1.4
113.05994	0.6
113.09691	0.6
117.07025	8.9
119.08585	12.6
121.06507	4.9
121.10147	18.7
123.08012	0.7
123.11723	2.4
125.05965	2.8
126.01163	0.6
127.03907	0.7
129.07004	0.6
130.07793	1.3
131.08575	4.1
133.10126	5.3
135.08102	2.7
135.11699	47.9
137.13206	1.1
139.07530	1.8
143.08568	1.0
145.10130	26.5
147.11659	1.7
149.13271	2.7
150.41988	0.5
153.12752	1.4
155.08533	0.6
159.11665	2.3
161.13235	1.5
163.11186	56.2
163.14787	1.4
164.11580	0.6
164.20337	0.6
173.09654	0.7
173.13226	1.7
175.14871	0.9
181.12242	9.9
187.14769	0.9
209.11736	1.4
227.12790	72.9
228.13156	0.6
230.39931	0.5
243.21075	1.9
261.22153	7.0
283.15405	100.0
284.15790	2.1
313.80273	0.5
317.24857	2.6
329.65463	0.6
335.25812	91.9
336.26123	2.1
469.33350	0.6
543.36841	90.8
544.37042	2.8
561.38428	1.2
703.21936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.8
53.04141	0.3
55.01880	2.2
55.05515	10.7
57.03446	6.8
57.07046	1.4
61.02909	0.9
65.03911	1.6
67.05508	33.8
69.03397	1.5
69.07072	9.5
70.07308	1.1
70.07706	0.7
71.04960	1.7
73.02890	1.3
73.94602	0.4
77.03936	0.6
79.05499	29.6
80.05809	0.5
81.03387	1.7
81.07062	34.5
82.07393	0.4
83.04991	2.3
83.08624	6.6
85.02874	0.7
85.06512	1.2
90.72029	0.4
91.05484	12.0
91.81145	0.4
93.07049	41.5
95.04457	0.5
95.04977	5.0
95.08611	41.3
97.02875	2.7
97.06536	3.2
97.10151	1.5
99.04474	2.7
99.08084	0.5
103.05451	0.8
105.04483	0.6
105.07034	9.5
107.04965	5.4
107.08601	24.7
109.06486	1.6
109.10162	10.1
111.04424	0.9
111.08057	1.3
117.06242	0.5
117.07021	7.2
119.08585	10.2
121.06519	3.5
121.10147	14.8
123.11707	2.4
125.06020	1.9
125.66656	0.4
127.07553	0.4
129.07013	0.8
130.07779	0.9
131.08585	3.6
133.10123	5.0
135.08044	1.7
135.11697	36.4
137.13217	0.9
139.07503	1.0
139.11150	0.4
143.08566	0.7
145.10132	17.9
145.54736	0.4
147.11700	2.0
149.13255	3.1
153.12770	0.8
155.08521	0.4
159.11687	1.3
161.13245	1.4
163.11189	40.8
164.11627	0.4
173.09595	0.7
173.13237	1.4
175.14810	0.7
181.12260	6.3
181.13762	0.8
184.07413	0.5
187.14806	0.9
187.68297	0.4
191.14359	0.5
209.11790	1.6
227.12798	45.8
243.21054	2.4
243.80063	0.4
261.22153	7.0
270.24054	0.4
283.15414	51.8
284.15704	0.7
299.23157	0.5
317.24731	2.1
335.25809	100.0
336.26212	2.6
433.87286	0.5
543.36835	79.2
544.37433	2.7
612.93506	0.4
696.22974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01867	1.4
55.05511	4.4
57.03442	2.5
59.05009	0.4
61.02931	0.5
65.03939	0.5
67.05505	15.4
69.03427	1.2
69.07071	2.9
71.04990	6.0
79.05495	7.6
79.05958	0.4
81.03420	13.0
81.07059	21.1
83.04988	1.3
83.08612	4.8
85.02884	0.8
85.06553	3.0
88.61792	0.3
91.05482	9.4
93.07047	6.9
95.04971	8.7
95.08609	5.2
97.02877	0.4
97.06559	2.1
97.10179	2.6
98.20755	0.6
99.08099	0.5
105.07033	6.9
107.04957	4.6
107.08594	5.6
109.06520	5.0
109.10162	3.1
110.07017	0.4
111.08082	1.2
115.05460	0.4
117.07005	2.1
119.08588	4.6
120.08894	0.4
121.06522	4.7
121.10134	3.3
123.08084	1.3
123.11716	3.0
125.09631	2.2
129.07011	3.0
131.04926	0.5
131.08577	5.3
131.29636	0.3
133.06525	0.9
133.10139	5.0
135.08028	2.1
135.11696	1.1
137.03749	0.3
137.09648	0.5
139.11302	0.4
141.06958	0.4
142.07782	0.4
143.08578	1.6
145.06465	1.4
145.10118	1.7
147.04367	0.3
147.08044	1.3
147.11713	2.1
149.09633	1.9
149.13292	1.0
151.11194	1.7
155.08536	0.7
157.10147	1.8
159.08066	0.5
159.11707	1.5
161.09647	0.5
161.13266	0.6
163.11201	1.4
169.10139	0.8
171.11653	0.8
173.13200	1.6
175.11215	1.8
177.12776	1.3
183.11676	0.7
183.13838	0.8
185.09624	0.6
187.11270	0.5
187.13254	1.0
187.14857	0.4
189.09358	0.4
189.11247	0.9
189.12814	0.5
191.14336	1.4
193.12234	2.8
195.11768	0.6
197.13200	0.5
199.14873	0.6
201.12762	0.6
201.14748	0.4
205.12267	1.0
217.12216	0.4
217.15892	1.1
219.13814	2.3
219.17500	0.5
221.15227	0.4
223.13310	0.4
233.15370	0.5
243.13768	0.4
249.14859	0.5
255.17438	0.4
257.15198	0.5
257.17593	0.6
267.15942	6.1
269.17490	1.1
275.16440	0.9
275.20230	0.4
297.22269	0.3
301.20068	2.8
315.23169	0.7
325.21707	1.6
333.22379	0.5
343.22687	3.9
351.23160	1.0
361.23630	0.8
369.24319	2.1
371.25919	0.7
387.24890	0.8
399.25082	0.4
407.25650	0.6
417.26376	2.8
422.02185	0.4
425.26898	1.5
435.27444	12.9
443.28030	7.8
461.28998	100.0
462.29361	3.7
475.30640	1.5
477.28824	0.5
488.07877	0.4
493.31677	5.4
518.37836	0.4
569.30975	0.5
587.32300	0.9
589.33698	0.4
605.33258	0.5
619.34418	0.8
637.36310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.6
55.01872	24.3
55.05510	41.6
56.45556	3.2
57.03443	27.3
61.02928	4.6
65.03917	4.5
67.05507	100.0
69.03436	21.1
69.07076	27.7
71.04993	12.0
71.53480	4.4
79.05494	73.3
79.05916	6.2
81.03421	99.7
81.07061	96.8
83.04986	24.7
83.08631	41.1
85.02905	32.4
85.06528	5.3
91.03963	4.5
91.05482	89.4
93.07051	58.7
95.04986	51.5
95.08606	45.5
97.02914	20.6
97.06539	31.3
97.10174	21.9
99.08105	6.9
105.04547	4.9
105.07032	70.4
107.04960	21.4
107.08607	51.4
109.02878	8.9
109.06506	17.1
109.10163	34.2
111.04482	8.9
111.08091	14.9
113.06022	4.0
115.05444	4.1
115.50587	3.3
116.42934	3.1
116.95158	3.2
117.07016	29.9
119.08599	63.6
121.06501	8.7
121.10135	33.4
123.08082	9.1
123.11723	6.6
125.09632	17.9
127.03911	12.9
128.06264	5.3
129.07014	23.0
131.08582	48.6
133.06520	9.7
133.10139	48.0
135.08092	12.8
135.11700	11.6
137.09615	7.8
139.11168	3.3
142.07777	7.1
143.08588	11.8
145.10155	31.3
147.04433	5.8
147.08008	9.2
147.11685	34.2
149.09676	26.6
149.13234	5.7
151.11211	8.1
155.08578	7.5
157.10136	19.0
159.11685	17.9
161.13277	9.5
163.11197	12.2
163.96420	4.3
165.12729	10.1
169.10213	6.8
171.11716	8.2
173.09534	3.6
173.13237	8.3
175.11211	21.1
177.12833	5.5
181.10139	3.8
183.11745	4.4
185.96822	3.9
187.11160	5.0
189.11220	8.4
193.12222	53.3
195.11598	3.6
197.13210	4.4
211.13251	66.7
211.15016	5.2
215.14429	3.9
217.15776	4.8
227.12813	20.6
229.14383	10.8
229.19405	6.3
231.19020	3.4
239.17841	6.9
257.19107	16.6
267.15921	48.5
275.20099	76.5
285.16962	53.4
293.21118	6.4
331.22787	8.9
349.23743	58.8
367.24820	20.6
421.25830	7.0
429.21207	13.5
437.25455	4.5
439.27032	18.7
440.12738	3.9
449.30194	5.0
450.14301	4.1
461.29324	17.0
467.31592	4.7
479.29993	15.6
523.33960	4.8
541.35327	47.7
542.35724	6.3
559.36310	85.8
577.37543	28.0
623.33984	4.8
685.38318	3.5
703.40167	13.3
721.41382	15.8
739.42432	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	739.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.3
55.01865	8.4
55.05510	30.7
57.03442	23.7
57.04323	2.0
61.02925	4.5
67.05505	55.3
69.03431	20.3
69.07067	19.7
71.04997	12.9
72.09865	2.2
73.02908	3.4
79.05494	56.5
81.03420	100.0
81.07059	89.3
83.04983	26.8
83.08624	28.1
85.02908	27.2
85.06535	5.6
90.00004	2.0
90.37128	2.1
91.05482	60.2
93.06487	2.9
93.07050	45.5
95.04970	33.7
95.08619	32.1
96.54227	1.9
97.02876	16.2
97.06525	11.9
97.10165	9.7
99.04453	8.9
99.08088	5.5
105.07036	48.6
107.04964	16.0
107.08610	31.4
109.02885	6.9
109.06506	8.6
109.10166	15.7
111.04453	5.8
111.08073	12.3
113.06034	3.1
115.05464	2.9
117.07005	12.0
119.08579	37.2
121.06516	9.3
121.10143	20.9
122.92982	2.7
123.04459	2.5
123.08059	9.1
123.11694	5.7
125.09620	6.1
127.03903	7.8
129.05464	4.8
129.06972	13.8
131.05005	2.3
131.08578	29.5
133.06505	6.4
133.10126	32.7
135.08055	8.0
135.11667	6.0
136.96581	2.5
137.09615	4.6
141.07021	2.7
142.07774	3.4
143.08585	5.3
145.10146	11.7
147.08034	5.1
147.11691	23.9
149.09604	9.0
149.13266	12.8
151.11186	8.5
155.08539	4.3
157.10150	16.6
159.11707	9.6
161.09590	2.2
163.11198	3.9
165.12733	6.7
169.10121	4.2
171.11714	5.8
173.04448	16.3
173.09668	2.5
173.13261	4.8
175.11171	14.0
177.12727	3.3
181.10245	2.9
183.08064	2.3
183.11729	3.1
193.12234	38.3
195.13817	4.5
199.14630	3.2
211.13290	51.8
211.15254	3.4
219.13901	2.9
227.12712	3.4
229.14075	2.4
236.65733	2.2
249.14940	2.1
253.14339	4.9
257.19003	2.9
267.15909	33.8
269.17435	13.2
275.20044	30.8
285.16971	38.6
293.21170	3.7
331.22800	2.5
339.18225	2.8
349.23669	24.5
367.24658	5.2
387.25366	4.2
413.21768	13.3
413.26849	2.4
429.21017	6.5
429.26331	2.7
443.27866	2.8
461.28931	25.0
479.30124	48.7
498.66830	2.3
501.31314	2.9
532.71423	2.2
541.35553	17.0
559.36230	32.0
569.30371	3.1
577.37604	13.1
587.31940	3.4
605.33105	6.5
623.26276	2.4
623.34485	30.2
703.40491	6.5
709.21265	2.6
721.41382	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	738.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
56.05032	0.7
57.03427	0.5
57.07076	0.7
58.06611	0.3
59.07376	0.2
60.08167	6.8
63.34930	0.2
67.05501	0.7
69.07088	0.4
70.06594	0.2
71.07381	2.8
71.08627	0.5
71.53187	0.3
81.03423	2.1
81.07047	0.9
83.08620	0.7
85.10214	0.4
86.09711	30.3
91.05465	0.5
91.67168	0.2
93.07037	0.3
95.04970	0.7
95.08607	0.7
97.63988	0.2
98.98468	2.8
103.40697	0.2
104.10754	1.9
105.07030	0.4
107.05019	0.2
107.08606	0.3
111.08141	0.2
119.08588	0.3
123.11708	0.3
125.00014	20.8
125.99282	0.2
127.28619	0.2
127.65550	0.2
131.08617	0.2
133.10175	0.2
135.08063	0.2
143.00961	0.2
147.11642	0.2
175.11240	0.4
184.07350	100.0
185.07678	0.5
193.12285	0.6
208.70030	0.2
267.13358	0.3
267.15933	3.1
313.27374	2.7
505.38934	2.0
512.55005	0.2
688.45514	10.8
689.45630	0.4
738.35095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.9
55.01871	27.0
55.05515	53.7
57.03214	2.8
57.03442	27.2
61.02915	13.2
65.03947	7.2
65.73951	3.2
67.05508	92.3
69.03434	26.3
69.07070	33.6
69.96622	10.0
69.97042	4.7
71.04977	9.7
73.02913	9.2
79.05498	94.9
79.05966	5.8
81.03422	92.4
81.06587	5.9
81.07057	100.0
83.04992	31.2
83.08624	49.0
85.02911	39.7
85.06549	4.7
91.03964	5.2
91.05485	99.6
93.06489	4.3
93.07047	75.4
95.04972	46.0
95.08603	44.2
97.02885	20.8
97.06527	40.2
97.10175	26.4
99.04433	6.9
105.07037	81.5
107.04955	29.3
107.08604	62.9
109.02902	5.4
109.06501	13.6
109.10134	20.5
111.08069	17.0
115.05466	6.6
116.06251	3.9
117.07030	23.4
119.08587	64.1
121.06503	8.0
121.10120	23.7
123.08076	12.1
123.11702	9.2
125.09643	22.6
127.03898	7.8
129.05487	4.8
129.06987	30.5
131.08572	44.5
133.06578	5.4
133.10129	45.5
135.08060	10.4
135.11694	12.4
137.09621	7.2
142.07826	4.6
143.08540	11.1
145.10110	26.1
147.08037	5.0
147.11694	32.8
149.09634	37.1
149.13271	5.7
155.08531	5.3
157.10141	23.8
159.11719	18.6
161.09650	4.3
161.13126	6.4
161.16830	3.8
163.11182	14.6
165.12718	6.7
169.10121	7.0
171.11728	7.6
173.04451	7.0
173.13249	7.9
175.11259	21.0
177.12775	5.9
183.11624	4.5
185.13264	3.7
187.11249	4.6
189.11209	13.2
193.12251	62.3
204.26993	3.2
211.13284	80.0
227.12755	39.1
229.14316	7.2
245.13828	3.9
247.20483	4.9
253.18025	3.5
257.19000	13.4
267.15915	41.3
269.17535	6.7
275.20056	79.0
275.22797	6.0
285.16965	72.7
293.21204	6.2
314.73547	4.0
331.22714	7.2
349.23755	71.8
350.24097	4.2
367.24777	7.4
381.22662	5.5
382.60294	3.8
413.22113	5.9
413.27423	4.2
429.21249	6.7
437.25238	10.5
449.30573	6.1
455.26157	7.3
461.28864	11.6
463.30753	5.1
479.30127	25.4
497.32825	4.1
501.31839	4.9
541.35266	38.2
559.28522	5.3
559.36365	62.8
577.37451	24.6
605.32727	3.6
623.34326	16.2
703.39703	10.1
721.41302	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	738.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
54.80009	0.8
55.01885	1.5
55.05516	12.9
57.03446	6.4
57.07074	1.2
59.91365	0.8
65.03934	2.6
67.05507	48.7
69.03436	1.1
69.07065	11.0
69.82767	1.2
69.83158	2.7
71.04984	1.9
79.05495	50.8
81.03406	4.1
81.07059	42.5
83.04987	6.6
83.08633	6.6
85.02914	1.0
85.06546	1.9
89.01241	0.8
91.04904	1.3
91.05486	36.2
93.07047	52.6
95.04974	10.0
95.08607	28.8
97.06523	3.1
97.10168	2.7
99.08086	1.4
105.04517	2.5
105.07034	26.9
107.04949	3.3
107.08592	16.2
109.06524	5.2
109.10152	9.4
115.96745	0.8
117.07007	6.1
117.48833	0.8
119.08589	16.1
121.06499	2.3
121.10153	11.1
121.74655	0.7
123.08068	3.4
123.11718	1.9
125.34794	0.8
128.06268	1.2
129.07008	8.6
131.08566	4.9
133.06544	1.1
133.10135	9.6
134.73061	0.8
134.74158	1.0
135.08096	1.1
135.11693	6.7
137.09668	1.6
143.08543	5.3
145.10117	8.1
147.08017	1.6
147.10518	1.2
147.11691	22.2
149.13268	3.5
157.41092	1.0
159.11681	2.8
161.09645	1.9
161.13252	7.3
167.04207	0.8
171.11688	16.7
173.13232	1.4
175.14803	1.3
183.11618	1.2
187.14804	1.2
189.12752	5.5
199.14807	1.0
207.13818	16.3
235.96208	0.8
243.21028	2.1
261.22165	3.9
272.80759	0.8
279.15906	2.7
281.17474	54.6
282.17941	1.0
317.24945	1.3
320.67169	0.9
335.25778	44.2
336.26196	1.2
362.01230	1.0
541.38910	100.0
542.39465	3.9
559.39862	2.3
645.82227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.1
55.05268	1.4
55.05516	19.5
57.03443	12.7
57.40492	0.8
65.03940	3.2
67.05511	28.5
69.03438	8.3
69.07068	8.3
69.19090	9.3
69.25042	0.9
71.05000	8.2
73.02889	1.0
77.03945	1.3
79.05498	34.5
81.03426	100.0
81.07065	38.0
83.04990	22.0
83.08627	29.9
83.23296	1.0
85.02914	27.5
85.06544	1.7
86.09721	1.3
87.04462	0.9
91.05487	44.8
93.07051	22.2
95.04976	31.6
95.08611	13.1
97.02896	7.6
97.06526	5.8
97.10172	6.0
99.08130	2.6
105.04578	1.1
105.07040	31.0
107.04968	11.2
107.08615	8.6
109.02917	3.0
109.06537	6.9
109.10184	4.8
111.04452	5.3
111.08091	11.1
113.06026	3.3
115.05518	1.2
115.22124	0.8
117.07063	3.0
119.04966	1.9
119.08585	26.8
120.88235	1.1
121.06513	3.3
121.10145	11.0
123.08080	5.1
123.11695	2.1
125.09650	2.2
127.03947	1.8
129.05522	1.7
129.07019	19.0
131.08583	16.8
133.06534	4.2
133.10158	15.6
135.08060	2.2
137.09619	3.4
142.07776	3.4
145.06509	1.5
145.10146	3.1
147.04417	1.1
147.08058	5.1
147.11710	21.2
149.09639	6.1
151.11208	1.0
155.08575	1.7
157.10141	18.8
163.11195	3.1
165.12744	5.6
169.10008	1.1
175.11198	20.9
184.07372	2.1
189.11250	1.6
193.12262	46.2
211.13312	51.6
227.12724	2.2
229.14423	1.0
233.15436	1.0
249.14812	1.6
255.13861	1.3
267.15936	70.4
268.16193	1.7
273.14993	2.1
283.15308	1.2
285.16980	35.2
301.14508	1.5
355.17545	1.7
367.22647	3.5
385.23859	3.4
403.24869	2.0
411.20267	2.3
429.21326	8.0
433.25925	4.4
441.26306	2.8
459.27499	52.5
460.27866	1.6
477.28543	45.9
478.29120	1.8
495.29565	56.3
496.29749	1.7
507.57086	0.9
576.36365	1.4
585.30847	1.4
603.31476	1.9
621.32977	4.9
639.33783	20.4
738.42517	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.3
55.01863	8.1
55.05274	3.1
55.05517	40.5
57.03437	16.5
57.07061	3.9
61.02919	18.1
64.51212	2.6
67.05509	73.3
69.03430	17.6
69.07078	27.7
69.44234	2.4
71.04996	17.7
73.02919	7.6
79.05497	62.2
80.05859	2.6
81.03424	41.3
81.07066	76.7
83.04984	9.6
83.08632	19.1
85.02897	21.2
85.06538	7.2
91.03954	8.7
91.05486	56.0
92.42522	2.1
93.06487	4.2
93.07050	57.6
95.04975	19.2
95.08613	45.4
97.02878	20.0
97.06542	10.4
97.10158	20.0
98.21526	6.0
99.04453	3.2
103.05505	4.7
105.07038	52.7
107.04951	9.2
107.08605	33.6
109.02867	6.2
109.06523	10.6
109.10144	23.6
111.04450	4.6
111.08124	5.8
115.03934	3.4
115.05396	5.3
117.07024	19.7
119.04939	2.2
119.08576	36.1
121.06504	7.7
121.10152	21.4
123.04395	3.3
123.08080	5.4
123.11713	6.6
125.09634	17.1
127.03929	5.2
128.06212	5.8
129.06996	22.6
130.07791	3.1
131.08583	38.9
133.06516	5.5
133.10132	26.9
135.08083	5.7
135.11687	11.5
137.09612	4.3
137.68195	2.2
141.06992	6.5
142.07770	4.7
143.08551	22.3
145.06493	2.8
145.10129	30.9
147.08043	7.9
147.11702	18.1
149.09625	10.3
155.08557	14.5
157.10121	24.4
159.08073	5.1
159.11703	21.6
161.09660	8.5
161.13245	3.1
163.11182	9.2
165.07027	2.9
167.08603	5.8
169.10168	15.0
171.08118	2.7
171.11694	21.5
173.04440	3.2
173.09631	7.4
173.11928	2.3
173.13295	11.4
175.11212	7.6
175.14786	2.3
179.08624	3.1
181.10117	9.2
183.11671	12.9
185.09744	2.6
185.13298	10.2
187.11110	2.7
187.14833	5.6
189.11218	9.1
189.12770	5.4
193.10097	3.4
193.12256	5.0
193.95685	2.4
195.11638	7.7
197.13252	9.6
199.11201	4.4
199.14944	5.1
207.11729	3.5
209.13268	9.5
211.13257	6.0
211.15007	4.6
213.12871	2.8
221.13222	4.8
223.14935	5.8
227.12784	17.1
229.14268	5.5
235.14932	2.9
247.20689	2.4
267.15930	7.9
273.18533	9.2
275.20099	6.8
281.22516	2.9
283.20609	3.6
285.22110	5.8
291.19598	10.7
295.20523	3.4
297.22327	4.6
299.23599	6.7
325.21579	3.9
347.22266	3.8
357.24274	2.9
415.30051	3.7
433.31012	18.5
443.28104	5.8
451.32306	15.3
461.28741	3.5
469.33371	3.2
489.33209	3.4
507.34665	10.8
515.37469	4.0
517.35028	10.8
525.35767	77.0
543.36816	100.0
544.36920	3.2
557.38715	25.0
575.40051	30.4
617.25055	2.3
669.40137	2.7
687.40674	5.6
705.42303	5.3
719.40771	4.3
737.43506	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	737.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.2
55.01867	8.3
55.05514	27.4
55.98569	1.8
56.39212	1.6
57.03442	11.5
61.02933	17.3
65.03927	2.2
67.05509	57.1
69.03438	12.5
69.07076	17.5
70.20452	4.1
70.20805	3.1
71.01380	1.6
71.05001	13.5
73.02945	8.3
79.05072	2.7
79.05499	43.9
81.03428	18.8
81.06596	3.1
81.07063	55.8
83.04988	7.5
83.08624	16.6
85.02914	19.1
85.06539	5.0
87.04447	1.5
91.03976	8.1
91.05492	42.7
93.06483	2.9
93.07050	40.5
95.04983	9.6
95.08613	38.4
96.08881	1.7
97.02898	13.4
97.06523	5.3
97.10171	16.1
98.21544	2.1
99.04430	3.3
99.08076	4.0
101.02392	2.0
105.07042	36.8
107.04958	6.8
107.08603	29.3
109.02891	3.5
109.06512	6.2
109.09470	2.1
109.10159	21.0
111.04414	2.2
111.08074	4.6
113.56262	1.5
115.05458	2.9
117.07031	22.5
119.07797	2.6
119.08588	30.9
121.06525	7.8
121.10144	21.7
123.08052	5.6
123.11702	5.8
125.09654	16.2
127.03910	6.8
128.06242	5.2
129.07014	20.4
130.07756	1.7
131.08586	30.5
133.06519	3.3
133.10155	22.2
135.08052	7.0
135.11705	10.2
137.09613	3.6
139.11186	2.9
141.07018	7.4
142.07774	4.4
143.08569	21.9
145.04915	1.9
145.06496	1.7
145.10136	26.7
147.08047	6.4
147.11700	11.6
149.09645	7.6
149.13269	3.8
151.11169	2.7
153.07033	2.1
153.09029	2.3
153.12778	1.7
155.08553	14.2
156.09314	2.7
157.10150	22.2
159.08092	3.5
159.11707	23.1
161.09602	6.3
161.13257	5.5
163.11154	5.0
165.06927	2.1
166.07782	2.2
167.08575	6.1
169.10153	14.8
171.11681	17.7
173.09628	5.4
173.11928	2.0
173.13268	12.3
175.11200	5.3
175.14832	3.4
177.12781	1.7
179.08585	1.7
181.10143	8.1
181.12030	1.6
183.08110	2.0
183.11684	15.6
185.09680	1.8
185.13303	14.9
186.35973	1.7
187.11211	3.3
187.14835	4.2
189.11206	4.6
189.12738	2.9
193.10213	2.3
193.12190	4.6
195.11700	11.0
197.13261	7.7
199.11142	3.3
199.14830	6.4
201.12859	2.7
203.14349	2.4
207.11667	4.6
209.13234	8.0
211.11333	2.2
211.13094	2.9
211.14824	5.5
213.12805	2.7
213.16452	2.6
219.11676	2.3
221.13280	2.7
223.14821	6.1
227.12729	12.5
229.14241	2.2
235.14857	2.3
241.19344	1.6
245.13312	1.8
253.14259	1.6
254.52312	1.5
259.20599	4.7
267.15976	3.8
273.18500	5.2
275.20328	2.4
281.22391	1.7
283.20551	5.3
285.22150	4.9
287.20102	3.2
291.19586	5.4
297.22073	2.5
299.20151	2.2
299.23636	6.2
301.21552	3.5
309.21622	1.7
321.22287	1.6
325.21396	2.1
333.23999	1.7
337.21307	1.6
339.23138	3.4
341.24783	2.4
343.22922	1.6
344.31116	1.5
347.22266	1.8
363.18527	2.3
365.23315	5.1
371.25821	1.6
415.29797	5.1
421.25891	3.5
423.27249	1.9
433.31021	18.9
435.27414	1.7
443.27921	4.6
451.32166	15.5
461.28891	3.3
469.33090	6.3
483.34549	2.7
499.34174	2.8
507.34503	10.0
517.35431	14.7
525.35809	79.0
526.35876	2.4
539.37213	4.2
543.36853	100.0
544.37329	3.4
548.13831	1.8
557.38647	23.3
575.39612	31.9
651.38495	2.0
679.40204	2.8
687.40710	6.9
705.42010	3.6
719.40112	4.4
737.43579	4.9
740.11511	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.1
55.01883	8.1
55.05268	3.1
55.05515	38.7
57.03451	11.8
59.05005	1.8
61.02927	12.2
61.73938	1.8
65.03943	5.3
67.05511	56.7
69.03432	9.3
69.07064	19.6
71.05000	8.6
73.02919	5.1
79.05498	56.2
81.03426	55.7
81.07063	70.1
82.07389	1.7
83.04984	20.3
83.08620	26.3
84.54825	1.5
85.02918	25.1
85.06561	3.6
90.42356	1.4
91.03944	3.6
91.05489	100.0
93.07057	51.7
95.04974	29.1
95.08616	36.9
95.16324	1.6
97.02892	10.2
97.06553	10.6
97.10169	7.4
98.20751	5.8
99.04505	1.9
99.08114	3.1
103.05466	2.9
105.04537	3.4
105.07040	78.2
107.04977	12.1
107.08604	25.6
109.02888	3.2
109.06528	16.9
109.10155	10.9
111.04465	3.2
111.08092	15.8
113.05998	2.7
115.05441	10.0
116.06264	3.5
117.07028	43.0
119.04951	1.7
119.08597	45.6
121.06518	9.9
121.10155	19.2
123.08071	15.2
123.11668	1.8
125.09644	4.1
127.03876	2.5
127.07562	1.6
128.06229	21.1
129.07010	32.3
130.07828	11.3
131.08585	77.1
133.06508	12.5
133.10138	27.5
135.08060	7.6
135.11705	5.9
137.09584	3.8
139.11192	2.2
141.07021	13.5
141.09105	1.9
142.07787	9.0
143.08577	71.5
145.06473	2.5
145.10135	78.9
147.08080	18.9
147.11687	19.8
149.09621	11.1
149.13246	3.0
151.07613	3.4
151.11177	2.1
154.07761	4.2
155.08614	8.5
157.08945	3.2
157.10143	36.2
159.08061	5.5
159.11700	23.4
161.09642	15.6
161.13229	2.8
163.11205	7.0
165.07045	2.5
166.07808	2.5
167.08574	3.5
168.09467	1.7
169.10150	14.4
171.08104	2.9
171.11694	18.1
173.09634	5.1
173.13240	3.8
175.11198	19.9
177.12685	9.2
179.08522	2.3
180.09500	1.6
181.10159	12.4
183.11690	9.3
185.09702	3.6
185.13255	7.4
187.11273	3.2
187.15021	1.6
189.12767	2.1
193.12248	36.0
195.11723	19.0
197.13292	2.5
199.11203	4.1
199.14862	2.2
201.12746	4.7
209.11633	2.6
209.13417	3.7
211.13300	42.7
213.12753	3.0
217.15997	2.4
223.63983	1.4
227.17888	4.7
231.13884	2.1
237.16393	20.3
241.14311	3.3
245.19116	5.2
255.17484	29.7
267.15939	30.2
268.16336	3.0
269.17548	4.5
273.18521	78.6
275.20117	3.6
283.15234	2.5
285.16962	78.0
291.19601	6.7
329.21136	6.4
347.22208	47.4
365.23468	2.7
462.29288	5.4
517.30695	2.1
539.33704	20.1
549.17682	1.7
557.34741	45.5
558.34650	3.3
575.35999	10.5
701.38916	2.0
719.40216	4.0
737.40881	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	737.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.1
53.65063	1.7
55.01868	12.7
55.05266	3.4
55.05513	42.2
57.03436	18.1
61.02937	3.1
65.03941	4.0
67.05505	67.8
69.03433	28.1
69.07072	36.5
71.05007	14.7
77.03903	1.9
79.05495	60.6
81.03419	100.0
81.07059	74.2
83.04981	27.8
83.08621	34.1
85.02907	24.7
85.06548	5.2
89.32970	2.1
91.05482	66.5
92.05830	1.9
93.07049	50.4
95.04979	33.6
95.08603	29.4
97.02891	23.6
97.06541	9.4
97.10175	28.6
99.04465	6.2
99.08092	2.5
101.02383	1.9
105.07030	46.7
107.04964	19.5
107.08593	36.4
109.02890	19.1
109.06544	10.9
109.10162	19.1
111.04462	14.1
111.08086	15.9
113.06025	3.3
115.05440	4.9
117.07018	21.3
119.04964	2.7
119.08581	36.3
121.06506	8.0
121.10147	21.3
123.04468	2.8
123.08088	14.0
123.11687	5.7
125.09640	26.7
127.03918	11.9
128.06253	2.7
129.05493	3.8
129.06996	15.2
130.07849	2.9
131.08568	26.8
133.06503	6.7
133.10132	20.2
135.08054	12.0
135.11711	9.7
137.09627	7.3
139.11253	2.4
143.08549	10.5
145.06493	6.6
145.10141	15.3
147.04478	2.3
147.08028	19.0
147.11690	22.4
149.09671	14.3
149.13252	4.8
151.11171	4.9
153.09087	4.4
153.12756	3.2
155.08562	5.8
157.10141	19.7
159.08076	5.3
159.11673	12.5
159.96516	2.3
161.09650	6.8
163.07449	2.2
163.11192	13.4
165.09129	4.1
165.12730	4.0
169.10115	5.5
169.12311	2.3
171.08026	2.7
171.10277	1.9
171.11694	6.6
173.04460	6.9
173.09616	5.5
175.11177	18.9
177.12779	4.4
181.10127	2.4
181.12230	4.9
183.11754	4.4
185.13306	2.9
187.11177	4.9
187.13245	2.2
187.14902	3.3
189.11240	13.9
189.12642	3.3
191.10699	4.0
193.12239	38.3
195.11703	2.4
201.12782	3.1
209.11682	2.2
211.13292	46.3
219.13779	3.2
223.13275	10.8
226.45056	1.8
227.12750	24.7
229.12257	2.7
229.14288	5.0
235.13266	2.2
237.16246	2.0
245.13902	2.9
245.19022	3.4
249.14963	6.6
250.31087	2.1
267.15924	32.0
273.15234	3.5
273.18484	27.9
275.20120	10.6
281.39212	1.9
283.15546	3.3
285.16983	22.1
289.21860	2.1
291.19531	79.6
301.14166	3.9
313.21671	4.3
315.19681	3.1
347.22113	7.6
349.23672	4.3
355.17661	4.5
365.23245	34.1
393.18851	2.7
411.20090	3.6
429.21286	12.3
435.23904	3.0
447.28513	2.8
459.27411	5.2
465.29776	2.3
477.28369	6.4
495.29330	4.5
509.27609	3.1
517.35315	2.3
528.37408	6.6
539.33478	8.5
543.36646	7.4
557.34760	46.3
575.35638	42.5
576.35419	3.1
621.32318	4.4
639.33368	6.8
683.37805	3.7
701.38232	8.4
719.40125	35.5
737.40533	14.2
764.09235	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	737.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56805	1.3
53.03945	6.6
55.01878	10.4
55.05516	14.2
55.76247	1.2
57.03436	22.0
61.02938	2.5
62.14328	1.2
65.03932	6.5
67.05508	64.6
68.61120	1.4
69.03432	15.7
69.07066	11.6
69.83067	5.4
69.83483	2.2
71.01372	1.5
71.04991	6.3
79.05496	42.1
79.08132	1.6
81.03423	54.1
81.07059	47.9
83.04979	13.9
83.08614	16.0
85.02913	9.7
85.06547	10.7
91.05483	43.0
93.07045	32.3
93.07629	1.7
95.04975	72.2
95.08618	18.7
97.02881	13.2
97.06522	7.1
97.10175	4.8
99.04472	4.3
103.05490	1.5
105.04530	2.4
105.07032	29.4
107.04974	11.4
107.08602	22.0
109.02898	6.9
109.06524	51.1
109.10155	8.5
111.04455	6.2
111.08092	7.5
113.06012	29.9
115.05442	4.3
116.06268	1.7
117.07025	14.6
119.04999	1.5
119.08587	22.5
121.06519	5.5
121.10142	13.6
123.04396	2.8
123.08073	4.3
123.11726	2.9
125.09637	4.9
127.03920	7.0
128.06216	3.5
128.62724	1.2
129.05515	2.4
129.07013	15.4
131.04924	3.1
131.08574	22.8
133.06477	9.0
133.10138	11.8
135.08063	43.0
135.09151	2.0
135.11684	7.3
137.06012	2.3
137.09633	2.1
141.07010	3.7
142.07791	3.7
143.08528	10.2
145.06473	2.7
145.10129	14.9
147.08095	7.7
147.11693	14.1
149.09660	11.2
151.11220	2.4
153.12744	2.3
155.08562	3.8
157.10130	15.1
159.08086	2.8
159.11693	8.1
161.09671	9.8
163.11230	7.8
165.09134	2.4
165.12762	3.3
169.10056	3.3
171.11714	4.5
173.04407	2.7
173.09587	3.9
175.11237	9.8
177.12807	4.2
181.10092	2.2
181.12329	1.6
183.11714	2.3
187.11224	2.7
191.10663	1.8
193.12222	18.7
195.11713	2.2
195.13734	1.6
199.14841	3.9
201.12814	2.0
209.11737	3.3
211.13275	23.6
217.15872	9.2
219.13832	1.8
227.12764	5.1
227.18071	1.9
237.16476	2.0
245.19040	4.6
249.14998	2.5
255.17465	2.4
257.19016	1.8
267.15936	28.8
273.18500	42.3
275.20114	5.8
283.15530	1.7
285.16968	11.3
289.15018	1.6
290.63614	1.7
291.19556	100.0
292.20041	1.9
309.20282	2.4
319.15402	1.5
347.22174	13.4
349.23874	1.7
365.23273	24.8
411.20294	4.4
429.21176	21.3
430.21347	1.8
436.69052	1.7
447.28601	2.0
465.30423	2.2
497.29184	1.8
539.33881	15.1
557.34753	46.3
558.35553	2.2
575.35840	11.1
683.37604	2.5
701.38800	8.2
719.39905	21.0
737.40717	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	737.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96303	4.3
56.96568	66.8
64.84248	1.8
68.96512	2.2
69.78552	11.6
71.95287	3.2
74.97604	4.8
84.96033	25.0
85.02901	3.1
91.05478	6.0
97.02847	2.3
98.20792	3.3
98.97583	100.0
110.97572	42.2
112.81098	2.2
112.99119	2.6
116.97843	2.4
116.98621	33.9
119.04919	15.1
124.99129	8.5
127.03885	2.1
128.12100	2.3
128.98605	39.7
131.00191	3.0
134.99611	6.4
135.96503	2.2
139.03911	7.4
140.98619	14.9
143.00163	27.6
144.98102	3.2
146.99710	10.8
147.04417	63.7
152.98601	7.2
156.98071	4.1
158.99666	40.7
161.01234	19.4
163.03943	5.5
168.98090	2.2
170.99673	38.8
174.99127	4.7
177.00731	22.8
179.02284	2.2
182.99661	29.8
185.01311	5.1
185.02940	2.2
186.99147	5.9
189.00720	28.5
190.98584	2.3
191.00174	4.9
193.00156	4.8
195.03291	7.3
201.00716	77.9
201.02591	3.9
203.00197	9.5
203.02173	2.0
205.00211	3.2
205.01884	3.2
207.01691	3.3
209.01208	4.8
213.00679	7.8
213.04330	6.2
217.00111	2.3
218.99718	2.3
219.01753	58.1
221.01266	35.4
221.03281	3.8
229.00177	4.8
231.01714	5.0
235.02917	4.4
237.00702	3.9
237.02821	25.6
239.02278	87.0
243.01781	23.7
245.01096	2.7
248.99220	7.2
253.03876	7.8
257.03342	28.4
261.02808	83.8
263.02222	14.6
267.00253	4.6
273.03040	11.3
275.02277	6.8
277.03717	3.0
279.04004	40.7
281.03320	29.7
285.00671	3.4
291.00201	9.5
291.03842	17.0
293.03555	2.5
293.22546	2.6
299.04630	2.7
303.01959	2.5
305.03143	6.3
307.04855	3.4
309.01569	3.6
321.05194	26.9
323.04388	4.0
331.03241	2.8
347.04218	3.3
349.04370	4.1
351.05957	8.8
353.05823	2.5
359.00760	2.5
365.05350	9.2
375.02307	3.8
377.01791	7.4
381.07074	11.9
383.06488	7.9
393.03366	8.7
395.02963	15.1
399.08145	6.9
407.06598	16.6
411.04419	4.4
413.03842	5.3
425.07083	6.4
437.03592	3.3
447.06049	3.0
455.07083	40.9
457.08356	3.9
481.08759	5.1
493.08472	7.1
511.09613	10.8
527.10748	5.7
539.07196	8.8
545.11804	62.8
553.99481	2.5
555.08789	22.7
557.08020	8.8
562.25256	2.3
573.09735	15.5
627.12311	24.1
701.11719	8.7
719.13428	25.0
737.14978	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	737.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	44.8
65.03943	1.7
66.74661	0.5
68.96552	0.7
69.03439	0.8
71.52518	0.6
71.95261	1.9
74.97598	3.0
78.20029	0.5
84.95525	1.1
84.96034	17.8
85.02895	1.5
91.05484	13.0
92.05817	1.2
97.02924	0.6
98.97588	75.8
102.97075	1.5
110.97575	32.0
112.99133	1.9
114.97018	0.7
115.00716	0.7
116.98627	24.3
117.03399	0.6
119.01938	1.3
119.04949	25.5
120.05274	2.0
124.99112	3.7
127.00661	1.0
127.03917	0.7
128.98607	27.9
128.99577	1.3
129.06294	0.5
131.00175	1.6
132.98112	1.3
134.99660	4.2
135.04422	0.9
138.97066	0.9
139.03926	1.3
140.00165	1.1
140.98618	9.9
143.00172	20.3
143.01933	1.6
144.98091	2.5
145.01688	0.8
146.99692	8.9
147.04414	100.0
148.04745	10.5
149.01236	1.0
149.04997	0.8
150.99158	1.3
152.00186	1.1
152.98619	5.8
155.00179	1.0
155.01927	0.7
156.98120	3.6
158.99666	28.4
161.01241	11.2
161.02945	1.7
162.99187	1.1
163.03935	5.5
168.98100	2.6
169.03398	0.7
170.99666	31.3
173.01318	1.0
173.02989	1.0
174.99144	5.1
177.00740	16.4
177.02269	1.5
179.02179	1.3
181.01682	0.9
182.99654	21.2
183.01241	1.3
185.01230	3.8
185.02994	2.6
186.99199	4.2
187.00603	0.8
188.99016	1.3
189.00722	23.3
190.98633	1.2
191.00201	2.6
191.02328	0.8
193.00224	2.7
193.01762	1.1
194.99651	1.1
195.03316	4.4
197.01256	1.0
197.02913	1.2
198.99135	1.1
200.02208	0.6
201.00714	56.1
203.00217	8.0
203.02190	1.7
205.00166	2.6
205.01781	1.9
205.03513	1.1
207.01630	1.0
207.03337	1.0
209.01207	2.4
211.02890	0.7
213.00752	3.8
213.04337	2.4
215.02208	0.8
217.00171	1.6
217.01920	0.9
219.01778	45.0
221.01228	22.2
221.03065	7.4
223.02805	2.2
223.04668	0.8
224.02361	1.3
225.00771	1.1
225.04517	1.0
227.02170	1.0
227.04173	0.9
229.00214	2.4
230.98141	1.2
231.01685	5.3
234.99208	0.7
235.02873	4.2
237.00536	1.4
237.02834	17.8
239.02261	63.1
242.03319	1.3
243.01765	23.1
244.02797	0.7
245.01173	2.1
245.03017	2.1
245.05029	3.8
247.01266	2.1
247.04617	0.8
248.99065	5.1
249.04453	1.4
253.03865	5.3
255.01718	1.7
257.03345	24.4
261.02817	72.2
262.03732	2.3
263.02014	8.8
265.02344	0.8
267.00119	4.1
271.04984	0.9
272.99811	1.0
273.02802	5.6
275.02155	2.9
277.04004	1.7
279.03983	26.5
280.04593	0.9
281.03302	21.5
284.04376	0.8
285.00659	4.9
287.04480	0.7
288.97253	0.6
289.04025	3.0
291.00284	6.4
291.03885	10.3
291.60629	0.7
293.03284	2.0
297.02780	1.0
299.04572	3.1
301.02045	0.8
302.05557	1.2
303.01700	5.0
305.03354	3.2
307.04718	1.2
309.01294	1.9
309.04599	0.8
311.04407	1.9
313.02155	0.8
315.01950	0.7
317.03360	2.3
319.04947	0.9
321.05029	20.7
323.04269	3.5
331.03842	2.8
333.01480	0.8
333.05438	2.8
335.04462	1.2
347.04437	1.7
348.99225	1.0
349.04352	4.0
351.06326	6.5
353.06387	1.3
359.00784	1.1
363.03598	2.2
365.05450	7.2
375.02393	2.9
377.01654	6.3
379.06909	1.0
381.07196	8.9
383.06522	6.9
389.05099	0.7
393.03430	6.1
395.02887	11.5
399.08224	5.9
407.06470	11.5
409.04187	0.7
411.04492	5.4
413.03937	4.2
421.04251	0.8
425.07825	2.8
437.03580	1.6
437.08075	1.8
447.06061	2.2
449.05179	0.8
455.07117	34.6
457.08582	2.5
465.07205	3.3
467.05652	1.1
481.08575	2.6
493.08704	6.2
497.06110	0.9
511.09818	7.8
521.06378	1.8
527.10571	5.7
537.05396	1.0
539.07190	7.7
545.11804	41.3
546.12146	1.6
555.08777	18.5
557.08289	5.8
559.11768	0.7
573.09796	12.9
603.12207	2.0
627.12299	19.2
628.12549	1.2
648.06592	0.7
701.12427	8.0
719.13519	15.1
737.14551	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	731.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
53.82133	0.2
54.05286	0.2
55.01865	0.4
55.05508	1.1
57.03437	1.4
60.56789	0.2
60.95278	0.2
61.02932	5.0
67.05509	5.6
67.13256	0.2
69.03433	2.7
69.07065	1.1
69.25580	1.5
71.01364	0.3
71.04995	0.6
73.02921	3.7
79.05505	3.1
81.03424	1.5
81.07063	5.3
83.01322	0.2
83.04993	0.5
83.08640	0.9
85.02914	4.9
85.46197	0.3
87.04499	0.3
91.03959	3.2
91.05482	2.0
93.07050	4.1
95.08615	3.7
97.02900	4.7
97.06551	0.4
98.20808	0.5
99.04465	0.6
101.02376	1.4
103.03937	0.3
105.07056	0.9
107.08609	2.4
109.02890	0.6
109.06506	0.3
109.10172	1.3
111.08068	0.4
115.03958	0.4
117.07030	0.4
119.08615	0.7
121.10142	1.8
123.11759	0.3
127.03935	1.8
131.08612	1.0
133.10159	0.8
135.11674	1.0
145.05025	0.4
145.10123	0.4
147.11719	0.4
149.13263	1.3
159.11742	0.9
161.13220	0.3
185.04285	0.7
221.95860	0.2
235.13007	1.4
243.08478	2.1
291.15527	0.2
312.72568	0.2
335.25952	0.6
453.20947	4.5
519.29321	7.2
569.38464	0.3
731.43445	100.0
732.43909	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	731.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.05505	1.3
57.03437	1.9
59.95089	0.2
60.73860	0.3
61.02931	4.9
67.05509	5.3
68.05789	0.2
69.03429	3.5
69.07071	1.5
70.72747	0.5
71.01356	0.2
71.05000	0.4
73.02924	3.9
79.05495	3.5
81.03423	1.6
81.07064	5.2
83.04990	0.7
83.08620	1.5
85.02911	5.4
85.03384	0.5
86.99514	0.3
87.04482	0.5
87.82582	0.2
91.03960	3.5
91.05482	2.7
93.07064	4.1
95.04992	0.5
95.08614	3.4
97.02901	4.3
97.06523	0.4
97.10199	0.3
99.04460	0.6
101.02385	2.0
102.96149	0.3
103.03940	0.4
105.07052	0.8
107.08596	2.1
109.02905	0.8
109.10163	1.2
115.03947	0.5
117.07044	0.8
119.08601	0.7
121.10131	1.5
123.61885	0.3
127.03923	1.6
127.16678	0.3
131.08615	0.8
131.93158	0.3
133.10143	0.9
135.11693	1.3
147.11703	0.4
148.48653	0.3
149.13280	1.0
153.17427	0.2
155.00447	0.2
159.11765	0.6
161.13275	0.3
185.04237	0.8
188.35867	0.3
195.13908	0.6
203.05347	0.3
218.90828	0.3
235.13147	0.8
243.08372	1.9
269.17606	0.5
315.16528	0.3
335.26013	0.7
388.59909	0.2
427.19244	0.3
446.20529	0.2
453.20996	4.8
453.38168	0.3
519.29340	6.4
727.43231	0.3
731.43427	100.0
732.43542	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	730.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.2
55.25998	0.2
56.05035	0.8
57.03457	0.2
57.47756	0.1
58.06355	0.2
58.06605	0.3
60.08167	5.8
67.05496	0.5
70.57511	0.2
70.57853	0.4
71.07377	3.1
74.39617	0.1
79.05482	0.4
81.07056	0.5
86.09708	30.3
86.92045	0.2
91.05475	0.3
93.07057	0.3
95.08608	0.2
98.98460	2.9
104.10746	2.2
105.07063	0.2
108.03811	0.2
109.10245	0.2
123.65914	0.2
125.00008	19.1
184.07346	100.0
185.07735	0.5
195.06725	0.2
204.02478	0.2
287.15057	0.2
335.25690	0.2
446.11887	0.2
730.46515	7.3
731.46143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.6
55.98039	0.3
57.03432	1.2
59.04992	0.8
61.02931	2.8
67.05515	2.2
69.03437	1.8
69.07069	0.5
71.04992	1.0
73.02919	2.4
79.05505	1.8
83.04985	0.8
83.08623	1.0
85.02909	4.2
85.06565	0.4
87.04466	0.8
91.03959	2.1
91.05482	2.7
93.07030	1.7
95.04977	2.1
95.08608	0.9
97.02908	2.8
97.06556	0.5
99.04453	0.8
101.02384	1.4
103.03965	0.3
105.07044	2.1
107.04969	0.7
107.08610	1.0
109.02861	0.7
109.06554	0.5
111.04430	0.4
111.08082	0.6
119.08600	1.7
121.06532	0.3
121.10146	1.3
127.03951	0.9
129.07040	0.6
131.08578	1.4
133.10144	1.2
142.07741	0.4
145.04977	0.3
147.11681	1.7
147.37451	0.3
149.09621	1.7
157.10123	1.1
175.11185	1.4
185.04160	0.4
193.12296	2.4
197.15469	0.5
203.05464	0.5
211.13356	1.1
233.11777	0.3
243.08368	2.0
251.12564	0.9
267.15894	0.8
283.15137	3.5
289.09396	0.3
297.83005	0.3
307.15262	0.5
339.17859	0.9
469.20444	10.0
497.48700	0.4
501.23093	11.5
557.06921	0.3
567.31250	0.6
729.36688	100.0
730.36914	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
54.89999	0.7
55.01884	3.6
55.05511	6.0
56.01491	0.7
57.03435	5.0
57.07084	1.5
59.19577	0.8
61.02930	1.3
65.03921	1.3
67.05508	30.6
69.03423	1.5
69.07066	9.2
69.32944	1.8
69.33356	5.3
71.04979	2.5
73.02931	1.1
73.39874	0.8
79.05494	14.2
81.03433	1.8
81.07060	29.8
83.04978	5.2
83.08617	3.0
85.02915	1.6
85.06536	2.6
85.43459	0.7
91.03925	0.9
91.05477	21.7
93.07047	18.9
95.04963	2.8
95.08609	12.5
97.02894	1.7
97.06517	2.3
105.07040	18.4
107.08597	22.1
109.06537	2.6
109.10159	37.1
113.06024	1.7
117.07024	1.8
118.65374	0.7
119.08592	4.8
121.10164	5.1
123.11707	7.2
124.26981	0.8
124.75999	0.9
125.09603	1.1
127.07557	2.0
131.08585	3.5
133.10129	39.9
135.11681	3.9
137.09688	0.9
142.49446	0.8
143.08583	0.9
145.10152	2.3
147.11705	2.5
149.13293	1.5
151.11180	20.7
159.11722	1.2
161.09604	1.6
161.13286	1.4
163.14804	2.0
169.12280	3.9
173.13243	1.9
179.10699	1.6
180.33363	0.8
187.14825	1.0
215.12898	2.2
243.21158	2.2
253.14355	100.0
254.14711	1.9
260.73056	0.8
261.22107	12.9
271.15390	27.6
279.23251	1.5
317.24734	1.1
335.25775	28.6
407.98746	0.9
439.32449	0.9
457.32971	1.9
513.35779	9.7
524.14008	1.0
531.36841	38.0
532.37042	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
54.64356	0.7
55.01884	2.4
55.05513	6.9
57.03439	5.0
57.07070	1.1
59.94392	0.8
60.72100	0.7
61.02930	1.9
61.86040	0.8
62.32154	0.7
65.03931	0.9
67.05512	37.7
68.05829	1.2
69.03436	2.1
69.07078	9.4
69.16991	8.0
69.20889	0.7
71.04987	2.9
74.09702	0.8
76.23906	0.9
77.80860	0.8
79.05505	18.1
81.03419	3.1
81.07065	33.8
83.04977	4.2
83.08609	3.7
85.02924	1.8
85.06545	4.2
91.05489	25.0
93.07050	19.9
95.04961	4.6
95.08617	17.4
97.06553	1.6
97.10172	1.5
99.04468	2.3
99.08134	0.9
105.07044	21.8
107.05018	0.8
107.08607	25.1
109.06530	4.5
109.10168	37.2
111.08096	1.2
112.89543	0.8
113.06006	1.7
117.07040	1.9
119.08579	5.3
121.10163	7.9
123.11723	7.4
127.07568	3.1
131.08572	4.8
133.06488	1.0
133.10144	45.2
135.11694	5.3
145.10139	3.0
147.11699	2.1
149.13252	1.6
151.11197	19.7
153.58159	0.8
159.11702	2.3
161.09671	1.4
161.13235	1.5
163.14842	1.2
167.83214	1.0
169.12274	4.3
173.13268	1.9
179.10643	0.8
181.98700	0.7
215.12805	1.8
237.96982	0.9
243.21078	2.6
253.14381	100.0
254.14772	1.2
261.22180	12.4
271.15430	27.1
272.15561	0.8
317.24783	1.4
335.25827	46.4
336.26111	1.6
439.32404	1.1
457.33041	1.6
513.35767	7.0
531.36877	49.6
532.37823	1.2
554.34576	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.01837	2.1
55.05515	14.3
57.03441	11.6
57.07038	2.4
59.04967	0.5
61.02925	5.2
65.03902	2.3
67.05508	66.3
68.05783	0.6
69.03402	1.6
69.07072	20.2
69.07430	0.9
71.04984	4.0
71.08614	0.9
73.02881	1.5
79.00785	0.5
79.05496	45.2
81.03380	1.9
81.07060	75.1
83.04986	3.2
83.08625	13.1
84.04403	0.6
85.02907	4.4
85.06505	2.7
91.03929	2.1
91.05485	23.7
93.07050	54.5
95.04982	4.2
95.08613	38.5
95.48340	0.6
97.02878	3.3
97.06036	0.6
97.06534	7.0
97.10137	2.2
99.08076	1.2
103.03902	0.6
105.04494	1.1
105.06409	0.8
105.07031	12.2
107.04971	1.3
107.08600	31.0
109.06521	1.3
109.09503	0.7
109.10165	11.2
111.08056	3.3
117.07028	7.7
119.08590	7.6
121.06435	1.9
121.10144	18.2
123.08034	1.2
123.11705	6.8
125.09556	0.7
129.06982	1.1
131.08575	11.1
133.10138	13.0
135.08031	1.6
135.11707	13.5
137.13246	0.9
143.08643	0.6
145.10112	4.4
147.11668	4.3
149.09659	1.3
149.12070	0.7
149.13266	13.6
151.11172	1.0
157.10182	1.1
159.10663	0.7
159.11702	7.6
161.13297	3.6
163.14766	1.8
173.13235	2.2
175.14748	1.3
177.12759	3.0
177.16345	0.9
179.14330	0.6
187.14807	1.3
195.13802	9.6
197.13301	0.7
199.14859	0.6
201.16435	1.0
213.14847	1.1
243.15955	0.6
243.21098	2.1
261.22156	8.5
267.15872	1.6
269.17496	69.1
317.24741	2.1
335.25809	90.1
336.26291	1.4
437.33835	2.8
455.35364	1.5
511.37958	1.2
529.38910	100.0
530.39362	4.1
547.40051	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
57.03433	2.8
61.02921	2.5
69.03429	3.0
70.98271	2.6
73.02922	1.5
81.03452	1.6
85.02898	11.5
86.80023	1.0
87.91352	1.1
95.17376	1.0
97.02892	2.9
102.17245	1.1
103.09950	1.0
107.04997	1.6
109.02895	2.1
113.31322	1.1
119.04942	5.2
121.02874	32.9
123.04456	1.3
127.03907	1.1
145.02870	3.6
147.04396	2.0
148.06456	1.2
153.01930	1.3
163.03954	1.6
164.10779	1.8
177.01801	2.3
179.03391	3.8
187.04010	2.3
189.01828	8.8
191.03447	5.5
195.02910	2.5
197.06001	1.7
199.03925	1.3
201.05443	2.2
203.03448	10.1
205.04942	2.4
207.02934	8.4
209.04253	1.3
211.04115	1.2
213.05536	2.0
215.03456	5.4
217.01399	1.3
217.04936	3.9
219.02878	4.9
221.04498	2.8
227.03441	2.2
229.04977	3.7
231.02844	1.4
233.04451	3.6
241.04921	2.5
243.02899	1.5
245.04549	1.3
247.06416	1.5
253.04919	2.0
255.02881	3.9
255.06413	1.4
257.04443	2.4
267.03033	1.5
267.06598	2.3
268.07281	4.4
279.06659	5.3
280.07242	2.2
281.05048	1.2
281.08145	5.2
282.05081	2.4
283.05984	10.4
285.03848	2.6
291.06558	2.8
292.07266	1.6
293.08087	4.7
294.02200	2.3
294.05246	25.2
294.08344	1.4
295.06015	78.3
296.06784	7.7
297.04413	1.5
297.07452	7.7
298.08588	1.5
307.06003	64.8
308.06738	21.6
309.04059	2.2
309.07538	17.3
313.07205	6.3
317.08163	2.9
318.09116	1.5
319.06158	8.6
319.09430	2.3
320.06808	5.2
321.03836	2.5
321.07562	34.2
322.04782	1.6
322.08350	10.9
323.05435	4.0
323.09186	6.6
325.07056	98.1
326.07446	2.1
329.08398	1.7
333.07571	18.9
334.08273	2.1
335.05615	2.4
335.09152	12.6
336.06244	3.5
337.07065	82.1
338.07422	1.8
339.08636	3.9
344.06931	1.8
345.07452	3.9
346.08331	1.9
347.09198	12.1
349.07065	43.1
349.10782	2.4
350.07559	2.9
351.04410	1.5
351.08673	24.2
355.08112	16.7
357.07587	2.6
359.09140	2.4
361.07080	21.3
361.11221	2.0
363.08633	11.0
365.10413	11.9
367.08005	11.4
371.09161	1.5
373.06952	6.5
374.07840	2.7
375.08585	14.3
377.06271	1.7
377.10306	3.4
379.08124	100.0
380.08469	2.3
385.07056	4.1
387.08643	6.1
389.10159	3.1
391.08127	27.1
393.09787	3.5
397.09210	14.3
399.08737	2.1
401.10175	3.4
403.08136	27.9
405.09695	7.1
409.09158	20.2
409.14392	2.1
415.08328	4.2
417.09863	2.8
419.11258	5.0
421.09119	17.0
427.10364	20.3
429.09592	2.3
433.09250	20.7
439.10370	8.4
445.09296	13.7
447.10638	3.4
451.10254	16.9
457.10745	15.4
463.10010	3.0
465.11572	1.4
469.11234	13.5
475.10184	7.8
481.11240	4.7
487.12787	6.9
493.11346	13.1
499.12198	6.2
511.12323	19.1
517.13538	5.3
529.13531	13.2
541.13580	15.3
547.14374	7.0
553.13257	2.5
559.14435	35.2
565.14020	2.2
571.14563	16.2
577.15509	10.4
579.66705	1.3
583.14258	8.3
589.15698	11.4
595.14618	2.0
601.15533	15.1
607.16541	35.9
613.15564	15.3
619.16571	47.6
625.15692	1.9
631.16467	35.7
637.15741	2.6
643.16534	28.4
655.16724	17.2
661.17596	18.8
673.17615	24.6
691.07373	2.0
691.18689	39.0
709.19672	28.9
727.20587	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	726.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01849	1.5
55.05513	10.9
57.03437	9.6
57.07070	2.2
61.02939	2.8
65.03947	2.4
67.05505	46.7
69.03405	1.0
69.07070	14.2
69.18653	4.3
71.01318	0.6
71.04965	1.9
71.08605	0.7
71.28910	0.4
73.02905	1.0
77.03913	0.8
79.05495	29.3
81.03409	1.0
81.07059	55.5
83.04980	2.9
83.08621	8.7
85.02914	2.3
85.06535	2.7
91.03920	0.8
91.05484	14.3
93.07045	42.9
95.04972	3.1
95.08611	25.2
97.02873	1.3
97.06525	5.2
97.10130	1.8
99.08057	1.7
105.04453	0.5
105.07033	9.3
107.08597	24.8
109.06499	1.3
109.09478	0.5
109.10165	7.7
111.08080	3.5
111.11711	0.7
113.06023	0.5
113.09592	0.7
117.07011	5.3
119.07964	0.5
119.08598	5.7
121.06451	0.9
121.10148	16.5
123.08102	0.5
123.11680	3.8
125.09650	0.6
129.07022	0.6
129.38446	0.4
131.08585	7.6
131.84346	0.4
132.58432	0.5
133.10139	6.5
135.08005	0.9
135.11710	9.3
137.13184	0.7
139.11127	0.9
145.10144	3.2
147.11690	3.5
149.13268	18.6
151.11198	0.5
155.04028	0.5
159.11700	10.1
161.13257	1.7
163.14827	1.9
165.12674	0.8
173.13322	2.2
175.14838	0.8
177.12782	3.1
177.16402	0.6
185.57491	0.5
187.14792	0.8
195.13837	6.8
197.15117	0.5
201.16470	0.6
213.14827	0.6
233.22556	0.5
243.21098	2.2
261.22128	7.1
267.15900	2.0
269.17484	79.6
270.17810	1.6
299.23688	0.7
317.24808	2.0
335.25803	57.4
336.26074	1.5
354.37341	0.5
419.32959	0.9
423.06671	0.6
437.34250	2.1
437.61469	0.5
452.55469	0.5
455.35620	0.8
511.37738	0.8
529.38904	100.0
530.39240	4.4
530.94055	0.6
547.39966	1.7
726.44904	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	724.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
55.01870	2.4
55.05516	20.2
57.03442	17.0
61.02928	5.5
65.03944	3.7
67.05135	2.7
67.05505	52.3
67.19078	2.2
69.03422	2.9
69.07067	13.5
69.44198	12.2
69.44607	4.3
71.04973	2.2
79.05066	3.8
79.05494	46.2
81.03419	82.1
81.07056	54.6
83.04977	7.2
83.08626	21.6
85.02859	3.3
91.05483	33.5
93.07044	41.8
95.04974	27.5
95.08605	41.2
97.02891	5.3
97.10159	7.6
98.21523	4.1
99.08091	2.6
105.07030	25.1
107.04952	5.2
107.08601	21.3
109.06526	4.6
109.10168	19.0
111.08064	6.4
117.07016	9.0
119.08579	23.2
121.06537	2.1
121.10168	20.8
123.11709	5.8
125.09570	3.3
129.06990	7.9
131.08548	17.2
133.10144	11.2
135.08148	2.1
135.11670	9.6
137.09624	3.6
145.10120	12.5
147.08037	3.1
147.11681	7.5
149.09618	6.2
149.13258	7.3
157.10104	6.6
159.11676	7.1
161.13248	2.6
163.11140	3.5
163.14803	3.2
169.10118	2.4
173.13211	4.0
175.11139	7.9
175.14769	2.8
193.12239	21.2
202.78920	2.3
227.12740	5.7
235.13217	2.8
243.21135	5.3
258.08807	2.4
261.22147	15.9
267.15915	100.0
299.23953	2.2
301.25137	6.5
309.17035	2.9
317.24686	3.3
335.25800	83.3
435.32526	4.7
453.33408	4.5
471.34558	5.0
527.37311	49.4
545.38416	26.5
569.38312	5.6
595.46906	8.0
695.79572	2.5
741.84106	2.7
746.99829	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
55.05265	0.9
55.05515	9.7
57.03162	0.7
57.03441	10.5
59.04992	1.0
61.02925	0.8
61.62663	0.5
65.03932	1.2
67.05511	15.8
69.03434	2.4
69.07072	2.9
69.28861	4.7
71.04991	2.1
73.56488	0.6
79.05495	16.5
81.03422	76.3
81.07059	15.3
83.04993	8.4
83.08623	19.9
83.09121	1.0
85.02905	9.3
85.06551	1.4
89.02261	0.6
91.05487	20.9
93.07049	9.8
95.04368	1.2
95.04974	23.4
95.08607	6.9
97.02887	2.8
97.06541	1.6
97.10168	4.8
99.08115	0.5
105.04559	0.6
105.07037	15.2
107.04964	7.2
107.08583	7.3
109.06510	3.3
109.10186	3.0
111.04454	2.4
111.08081	7.8
113.06031	0.8
115.05499	0.8
117.07046	1.8
119.04930	0.6
119.08591	13.9
121.06539	3.9
121.10141	7.8
123.04427	0.8
123.08041	2.8
123.11687	0.7
125.09657	3.5
128.06229	0.8
129.07008	9.7
131.04958	0.7
131.08578	10.5
133.06497	3.3
133.10147	6.8
135.08047	0.6
137.05975	0.6
137.09596	1.3
140.61371	0.5
142.07822	2.6
143.08534	1.6
145.06485	4.0
145.10112	2.0
147.04417	0.5
147.08041	3.3
147.11690	10.5
149.09641	5.9
155.08553	0.6
157.10133	13.8
159.08069	1.0
159.11723	0.6
161.06038	0.7
161.09773	0.7
163.11192	2.0
165.12756	2.4
169.10185	1.0
171.08078	0.8
171.11673	0.6
173.09610	0.6
175.11200	13.0
177.12823	0.7
181.10175	1.0
183.11806	0.6
187.11180	1.0
189.11287	1.7
189.12769	0.7
193.12254	33.8
195.08044	0.5
195.11720	1.1
197.13374	0.7
203.14308	0.8
205.12294	0.5
211.13303	16.3
218.72421	0.5
227.12663	1.0
229.14374	1.0
233.15361	1.2
237.12730	1.0
239.14227	0.6
249.14865	2.2
255.13794	2.6
267.15927	100.0
268.16400	1.7
273.14798	4.2
285.16983	13.9
287.16324	0.6
309.16916	0.8
323.18390	0.6
339.23248	1.2
341.21240	1.6
349.21655	2.7
367.22675	9.6
385.23724	8.2
403.24704	2.9
405.24240	1.2
415.24738	0.8
433.25848	15.1
441.26425	7.5
459.27423	74.1
460.27740	2.7
477.28497	47.9
478.29074	1.3
491.30521	1.3
501.28278	1.4
509.31137	1.1
519.29358	1.3
555.54224	0.6
585.30737	0.7
603.31641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03466	1.9
53.03943	7.0
54.38058	1.8
55.01866	2.7
55.05516	21.9
57.03437	8.7
57.07060	3.8
65.03944	3.4
66.24808	2.3
67.05510	77.0
69.03427	10.7
69.07075	18.3
69.31118	1.8
71.01358	2.5
71.04993	23.3
71.52611	2.4
79.05068	3.5
79.05499	45.9
80.51686	2.1
81.03421	24.1
81.07063	100.0
83.04986	15.4
83.08620	9.5
85.02904	5.3
85.06541	8.0
91.05489	36.1
93.07053	50.9
95.04967	8.5
95.08611	35.2
97.02888	5.8
97.06561	9.7
97.10165	6.1
99.04470	3.3
105.04533	2.8
105.07037	25.8
107.04982	5.7
107.08604	23.9
109.02879	4.5
109.06544	5.2
109.10172	19.2
111.04490	4.3
111.08099	4.0
117.06988	10.8
119.08604	18.9
121.06510	2.0
121.10149	20.1
123.11718	12.1
125.09644	2.2
127.03932	4.6
129.05498	4.1
129.07037	4.1
131.08569	12.5
133.10149	27.0
135.11708	15.9
143.08560	4.8
145.04941	2.3
145.06441	4.3
145.10135	14.5
147.07980	2.0
147.11769	9.6
149.09619	3.0
149.13271	9.1
151.11195	5.9
155.08533	3.8
157.10132	5.9
159.08066	3.1
159.11725	15.7
161.13216	4.5
163.11206	4.4
163.14864	2.5
171.11760	2.6
173.04497	5.6
173.13240	6.4
175.11214	4.4
177.12794	3.5
184.07323	3.9
187.13335	5.8
195.13791	5.4
197.13281	2.8
201.14914	3.4
216.75555	2.0
223.15096	2.5
225.14771	2.7
227.12779	2.9
241.17874	2.0
243.15849	3.0
251.43988	2.2
253.14354	4.0
261.22058	4.2
269.17493	8.2
275.20084	4.2
281.37305	2.3
291.19522	3.6
335.25845	23.3
349.23392	2.0
369.24216	3.1
376.04721	1.9
413.21680	2.9
445.24243	6.0
461.29584	3.0
475.84052	2.1
485.36414	3.0
503.37350	34.3
505.38950	12.3
517.38580	3.0
527.36896	3.0
529.38947	13.7
543.36780	5.0
561.41553	35.4
596.86871	2.1
651.05383	2.1
673.43378	7.3
705.45361	8.7
723.43359	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	723.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.6
55.01861	2.9
55.05511	21.3
57.03434	5.7
57.07055	1.9
59.05005	3.0
65.03926	4.2
67.05508	78.2
69.03422	8.4
69.07061	13.3
71.04989	23.8
73.06570	2.0
78.94268	1.6
79.05495	47.7
81.03419	26.6
81.07060	100.0
83.04977	14.2
83.08609	12.0
85.02894	3.5
85.06528	8.0
86.09688	4.2
91.05483	35.1
93.06494	3.0
93.07048	49.7
95.04960	8.6
95.08604	36.8
97.02891	6.2
97.06513	5.6
97.10179	4.3
99.00457	1.9
99.04452	3.5
99.08062	2.3
105.07033	31.3
107.08595	24.6
109.02863	3.0
109.06527	3.4
109.10149	14.9
111.04431	2.1
111.08051	3.0
117.07009	7.2
119.08582	13.4
121.10156	21.1
123.11702	14.2
127.03893	3.1
129.05489	5.3
129.06972	5.2
131.08569	12.4
133.10130	18.5
135.08058	3.0
135.11705	12.6
141.26910	1.9
143.08543	4.5
145.10071	8.8
147.11673	8.1
149.09608	1.9
149.13231	7.3
151.11174	6.0
157.10141	3.8
159.11710	12.8
161.13304	4.5
163.14806	2.2
165.12627	2.2
171.11755	2.2
173.04474	6.6
173.13260	3.7
177.12737	4.7
183.11760	2.4
183.13908	2.7
184.07410	13.0
185.07686	3.6
187.13348	4.3
195.13806	2.6
196.79256	2.3
201.14757	3.0
229.14407	2.0
243.15967	3.2
261.22098	4.7
269.17477	11.4
275.20013	2.9
277.21616	2.8
277.82230	2.0
335.25769	32.1
350.33218	1.8
351.22879	2.1
445.24109	7.0
473.48325	2.1
503.31839	1.7
503.37274	45.2
505.38431	5.7
517.38666	3.9
529.38867	14.7
561.33600	2.9
561.41577	45.6
607.43945	2.7
673.42712	6.6
705.45361	14.8
723.44696	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	723.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60376	1.8
53.03941	5.4
55.01862	2.3
55.05514	20.2
57.03437	8.0
57.07072	5.9
59.06780	2.0
65.03923	3.2
67.05510	76.2
67.84433	1.7
69.03436	9.1
69.07066	13.0
69.23170	16.5
71.04995	20.5
79.05504	38.6
79.05936	1.3
81.03426	25.0
81.07063	100.0
83.04981	14.9
83.08631	11.2
85.02902	4.5
85.06532	8.0
88.96032	1.8
89.19650	1.8
91.04980	2.9
91.05492	40.3
93.07050	44.1
95.04961	8.0
95.08615	35.6
97.02908	4.3
97.06529	4.1
97.10186	2.8
98.20794	4.6
99.04449	3.0
105.07037	23.4
107.08602	24.5
109.02885	3.0
109.06493	3.8
109.10159	18.9
111.04458	2.8
111.08066	3.1
117.07005	11.0
119.08629	10.8
121.06532	2.5
121.10140	19.4
123.11694	10.8
127.03985	2.2
129.05470	6.7
129.07030	3.5
131.08563	10.9
133.10141	19.7
135.11700	9.7
145.10106	6.9
147.11737	8.5
149.13310	9.3
151.11188	6.5
157.10146	3.1
159.11693	9.7
160.96031	2.0
161.13287	4.8
163.11176	2.2
163.14981	1.8
171.11684	3.5
173.04485	7.9
173.13232	4.2
177.12689	2.6
177.16432	2.1
187.13249	5.6
187.14772	3.0
195.13730	3.7
201.14792	3.2
243.15973	5.0
243.21130	2.5
255.19795	2.0
261.22131	3.1
269.17535	10.3
271.17719	2.0
285.17194	2.3
335.25833	32.5
369.23904	2.0
413.21667	3.2
443.28244	2.5
445.24252	6.5
503.37320	46.4
505.38705	5.5
517.38782	4.6
529.38947	10.9
561.41571	59.7
611.46509	5.1
625.44189	3.2
647.40863	2.6
673.42816	9.1
705.45477	14.4
723.45056	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	723.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01884	5.9
55.05268	1.5
55.05514	25.5
57.03442	7.4
57.07077	2.9
61.02920	5.1
61.82580	1.2
65.03957	2.3
67.05508	47.8
69.03433	7.6
69.07070	19.1
69.80087	3.4
69.80502	3.1
71.04978	5.2
73.02897	1.9
74.51868	1.3
78.04656	1.4
79.05497	37.8
80.05826	1.8
81.02980	1.7
81.03424	15.7
81.06589	2.5
81.07059	42.1
83.04990	7.2
83.08624	14.3
85.02890	4.5
85.06541	5.0
91.03957	1.2
91.05483	38.6
93.07046	35.4
95.04975	10.4
95.08611	28.9
97.02875	3.4
97.06530	9.6
97.10171	10.7
99.08092	2.6
105.04509	1.6
105.07037	38.0
107.04965	5.1
107.08601	22.7
109.06509	4.9
109.09460	1.9
109.10163	20.7
111.04475	1.4
111.08073	4.9
115.05461	2.1
117.07025	21.7
119.08583	28.2
121.06524	3.2
121.10136	13.7
122.69979	1.2
123.08057	5.0
123.11681	3.0
125.09624	7.7
127.03918	1.7
128.06194	4.5
129.07021	18.5
130.07800	1.6
131.08569	33.4
133.06479	1.6
133.10143	20.3
135.08095	3.8
135.11667	7.0
137.09605	3.4
141.06989	5.0
142.07785	5.0
143.08574	22.4
145.06480	1.7
145.10133	22.7
147.08011	2.6
147.11693	11.6
149.09622	5.4
149.13210	2.9
151.11182	2.0
155.08565	16.1
157.10121	17.1
159.08051	2.9
159.11702	14.1
161.09607	2.8
161.13225	6.9
163.11165	3.0
165.06937	1.2
165.12839	1.6
167.08505	6.2
168.09433	1.5
169.10146	12.4
171.08096	1.6
171.11684	15.2
173.04504	1.8
173.09671	2.0
173.11835	2.0
173.13260	8.4
175.11163	3.5
177.12691	1.5
179.08557	4.1
181.10118	8.4
181.12267	1.4
183.11684	14.8
185.13298	10.9
187.11191	2.0
187.14844	3.8
189.11238	3.3
193.10143	2.8
193.12231	6.5
195.11699	7.5
197.13264	8.9
199.14845	6.0
201.12793	1.6
201.16457	1.7
204.47351	1.3
205.10182	1.6
207.11710	2.6
209.13271	7.1
211.13243	4.8
211.14861	3.9
213.16432	2.0
215.14322	1.4
219.11827	1.9
221.13312	2.9
223.14824	4.4
224.92680	1.4
225.12750	1.5
225.16434	1.9
227.12688	4.0
229.14371	7.1
233.13263	2.0
233.15353	2.0
235.14745	2.9
237.16394	2.3
239.18089	1.6
241.19478	3.9
247.14719	1.7
249.16374	1.5
251.18001	1.4
253.19620	1.4
259.20602	9.9
267.15939	8.6
269.17575	4.1
275.20111	4.8
275.39618	1.5
277.21756	2.2
279.21078	1.4
285.17035	3.0
297.22296	2.0
299.23596	2.0
309.22162	1.5
313.21558	2.6
315.23196	3.8
321.22125	2.4
333.24408	5.7
347.22574	1.2
349.23819	2.7
353.24646	1.9
361.57693	1.2
371.25906	2.0
405.31622	2.0
415.29926	4.3
423.32425	2.9
433.31149	11.9
445.28506	1.4
451.31961	10.7
457.28561	1.7
469.33472	7.2
471.31915	2.7
485.32483	2.9
487.33948	1.6
499.34338	1.8
507.34912	8.3
515.37250	4.8
517.34973	3.2
525.35809	46.9
543.36835	100.0
544.36987	4.1
561.37823	32.3
562.38330	1.5
669.39923	1.5
687.40369	2.2
705.41974	3.7
723.40613	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	723.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81814	0.4
56.96565	4.1
57.04691	0.4
68.96539	0.4
84.96037	2.7
95.09013	0.4
98.97585	28.1
108.37403	0.4
110.96862	0.8
110.97573	11.3
116.98633	9.2
124.99117	0.8
128.97699	0.8
128.98610	9.9
130.00204	0.5
131.00142	0.4
134.99608	1.7
140.98607	4.1
142.99092	0.5
143.00172	8.8
143.99051	0.9
146.08130	0.8
146.99631	4.5
152.98579	2.3
152.99646	1.8
156.00192	0.6
158.99669	16.0
161.01260	4.9
162.00150	0.5
168.00166	1.5
170.98189	0.8
170.99666	16.0
172.01428	0.6
173.01230	0.6
173.02878	0.5
174.00247	0.7
177.00742	9.0
179.02290	0.4
180.00192	1.0
182.99655	14.4
189.00725	14.6
190.00934	0.5
194.99490	0.5
195.00821	1.0
198.01189	1.2
201.00719	42.8
202.02409	0.5
203.02328	0.6
204.01447	0.5
207.01822	0.9
208.97046	0.6
210.01207	1.7
211.03064	0.8
213.00696	3.9
216.01286	0.5
219.01775	25.9
224.02347	0.6
226.98001	0.6
231.01808	4.5
235.03377	0.4
237.02872	9.4
238.49222	0.4
240.02318	1.7
243.01791	18.4
243.04305	0.9
245.05075	0.5
246.02306	0.5
249.02847	0.9
261.02841	72.7
262.03134	1.0
270.03271	0.5
273.02805	6.3
279.03897	33.8
285.02600	0.4
291.03876	13.5
302.05484	1.9
303.04007	1.5
309.04868	1.3
321.04941	31.3
329.01160	1.4
333.04990	3.2
345.04971	0.7
351.06042	7.8
363.05963	1.8
365.09415	0.7
373.08447	0.5
381.07767	76.9
381.57593	0.7
382.08298	1.3
399.08142	13.4
422.09622	1.0
441.09201	100.0
442.09683	2.0
453.09363	3.1
456.09921	1.2
471.10379	1.8
491.06461	1.2
501.11163	2.1
513.11261	0.7
537.89197	0.5
543.12439	1.9
625.26624	0.5
650.59210	0.5
705.16693	0.5
723.10120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39042	2.6
53.03942	6.5
55.01868	6.5
55.05518	27.6
57.03441	3.7
57.07072	6.4
67.05511	43.9
68.55302	2.9
69.03424	8.4
69.07079	26.8
69.93474	8.6
71.04971	6.5
74.89700	3.0
79.05501	37.0
81.03422	6.2
81.07065	61.8
81.96874	2.7
83.04984	7.1
83.08640	14.9
85.02888	4.7
88.97417	2.7
91.05476	38.8
93.07050	53.6
95.04966	37.0
95.08614	80.9
97.06528	13.1
97.10184	6.8
99.04458	14.6
101.25222	3.0
103.05489	4.3
105.07040	77.8
107.08604	80.3
109.05800	4.7
109.06529	65.7
109.10162	59.6
111.04475	3.8
111.08084	13.0
111.10452	3.2
113.06010	24.1
117.07001	15.2
119.08590	87.5
121.06510	84.9
121.10158	61.3
123.08081	28.9
123.11707	22.0
128.06264	4.8
129.06998	17.5
131.08566	42.7
133.06477	10.8
133.10133	56.6
135.08066	46.8
135.11716	30.0
137.05962	4.6
137.09613	10.9
137.13263	9.8
141.06982	6.9
142.07768	9.3
143.08566	27.4
144.09343	5.4
145.06485	8.3
145.10117	57.0
147.08072	29.2
147.11703	38.9
149.09625	25.2
149.13261	13.1
151.07549	9.0
155.07190	7.4
155.08549	12.4
156.09274	7.2
157.10141	39.6
159.08076	16.8
159.11685	49.6
161.09644	62.8
161.13280	29.9
163.11229	23.5
163.14859	10.6
165.09108	10.2
167.08612	4.6
168.09357	3.4
169.10170	20.0
170.10942	2.8
171.08054	13.3
171.11685	30.2
173.09625	23.9
173.13283	39.2
175.11183	23.4
175.14865	17.4
177.09096	3.6
177.12738	9.0
177.16431	6.2
181.10162	7.5
182.10869	3.8
183.11732	22.6
185.09636	10.0
185.13290	20.2
187.11195	24.8
187.14821	16.2
189.12747	27.2
189.16405	9.3
191.14359	5.8
191.17844	3.4
195.11696	8.6
197.09622	3.2
197.13327	19.2
199.11183	11.5
199.14818	20.6
201.12750	23.8
201.16388	14.6
203.10814	3.4
203.14360	12.4
207.11829	4.9
209.13292	9.7
209.72136	3.2
211.11194	5.1
211.14835	12.2
213.12802	19.3
213.16371	13.3
215.14268	17.1
215.17995	6.4
217.12277	3.4
217.15883	4.6
219.11812	3.3
219.13805	7.4
223.14818	8.2
225.12762	6.3
225.16359	10.0
227.14346	10.9
227.17897	5.2
229.15894	9.6
229.19507	4.7
231.17462	4.7
237.16267	6.5
239.14307	5.4
239.17979	7.4
241.15919	6.0
241.19501	4.0
243.17487	7.2
245.15407	5.8
245.19035	4.2
247.16951	4.0
251.14040	4.1
251.17937	6.1
253.15909	4.2
253.19495	7.0
255.17493	9.0
257.19034	7.5
259.20541	4.1
267.17676	4.2
267.21207	4.8
269.19022	6.7
271.20529	4.6
273.18542	7.4
283.20618	8.4
285.18527	3.4
291.19626	3.6
297.21893	4.0
299.19925	4.0
304.05850	4.2
309.22211	7.6
311.23697	4.7
317.20953	3.3
325.25006	4.8
337.25244	6.4
349.25015	3.8
351.22885	3.5
363.26849	4.5
383.29657	4.1
527.38770	9.8
545.39777	8.4
553.40503	15.9
565.40149	9.7
571.40845	9.9
583.41510	32.5
587.40955	4.7
601.42542	32.0
605.42035	54.3
606.41565	4.5
613.42212	12.6
619.43866	7.7
625.42255	12.1
631.43481	5.6
637.44128	5.4
643.43573	100.0
661.44574	32.2
679.45490	18.6
703.45721	89.1
704.47028	4.3
721.44055	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	721.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.1
51.98004	1.2
53.03945	4.1
53.20045	1.5
55.01864	1.8
55.05515	19.5
57.03439	10.8
57.07062	3.9
60.04482	1.2
65.03934	2.7
67.05510	60.4
69.03430	1.4
69.07079	13.9
71.04998	3.3
71.08640	2.3
71.53885	2.2
74.81839	1.3
78.26793	1.2
79.05499	64.0
80.16100	1.4
81.03436	6.9
81.07062	52.6
83.04987	8.6
83.08617	6.4
85.02887	1.9
85.06483	2.5
91.05486	43.9
93.07050	58.0
95.04980	13.0
95.08616	38.2
95.39329	1.3
97.06548	4.2
97.10181	2.7
99.08116	1.3
105.04526	3.1
105.07036	32.7
105.08405	1.2
107.04965	2.8
107.08610	23.1
107.51272	1.2
108.00863	1.4
108.26247	1.4
109.06534	5.1
109.10181	11.2
111.08074	2.5
117.07027	10.6
119.08577	21.0
121.06501	2.4
121.10180	13.1
122.46544	1.2
123.08084	4.8
123.11688	3.4
129.07027	8.1
129.74823	1.2
131.08582	7.8
133.06490	1.3
133.10153	10.7
135.08049	1.6
135.11685	6.7
141.58975	1.3
143.08553	7.9
145.10109	10.8
147.08141	1.8
147.11707	25.8
149.09639	2.2
149.13248	3.9
151.11247	1.7
159.11694	3.7
161.09569	3.3
161.13289	9.0
171.11699	15.7
173.13239	2.1
183.20274	1.3
184.07397	1.6
187.14856	2.2
189.12831	6.7
193.12209	2.5
207.13812	17.0
212.13596	2.1
261.22052	6.1
279.15909	1.7
281.17477	36.4
285.17010	1.8
286.06870	1.2
313.27637	3.2
314.27786	3.5
317.24860	2.9
335.25815	52.4
402.20654	1.6
475.21448	2.2
476.21671	2.0
477.21765	4.5
524.40515	6.7
536.23163	2.1
537.23926	5.1
541.38922	100.0
542.39001	5.5
559.39734	2.5
584.39459	1.4
591.43793	1.7
609.45288	8.0
623.27887	9.3
624.28302	22.5
661.58789	1.3
739.65369	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64856	1.2
53.03955	8.3
55.01875	15.3
55.05514	35.5
57.03440	15.1
57.07076	1.3
61.02910	2.8
65.03941	4.6
67.05509	61.5
69.03434	21.5
69.06729	2.0
69.07076	26.9
70.17514	4.6
71.04997	9.8
73.02898	2.8
79.05499	61.5
81.03423	95.7
81.07061	100.0
83.04987	30.1
83.08623	29.2
85.02905	18.6
85.06524	4.0
91.05486	68.0
93.07050	45.1
95.04979	29.7
95.08613	36.5
95.09177	0.9
97.02897	26.0
97.06531	20.7
97.10181	10.5
99.04444	5.8
99.08077	5.1
103.05468	2.5
105.07037	58.6
107.04962	20.6
107.08594	33.5
109.02886	15.1
109.06532	25.0
109.10168	21.5
111.04446	15.2
111.08109	11.5
113.05999	2.0
115.05479	4.9
116.06214	1.9
117.07045	19.4
119.04922	2.5
119.08588	57.0
121.06537	8.8
121.10149	23.7
123.04431	4.1
123.08070	9.1
123.11707	11.2
125.05988	1.5
125.09632	8.9
127.03933	11.3
127.07521	2.2
128.06169	2.7
129.05482	3.9
129.07005	18.8
130.07784	2.2
131.08580	31.0
133.01573	1.3
133.06523	7.3
133.10135	34.3
134.10400	1.4
135.04395	1.6
135.08067	10.6
135.11696	12.9
137.09621	6.9
139.03926	2.1
139.07535	2.5
139.11142	2.0
141.06993	4.2
142.07774	4.5
143.08507	8.2
145.05003	1.3
145.06471	4.3
145.10121	24.4
147.04424	2.8
147.08044	5.9
147.11700	32.2
149.06015	1.8
149.09621	19.0
149.13239	7.3
151.07445	1.6
151.11165	4.4
153.12654	1.7
155.08517	5.6
157.10121	19.2
159.08046	4.6
159.11693	16.9
161.09589	4.1
161.13263	4.6
163.11197	15.4
163.14714	2.0
165.09117	1.5
165.12729	7.9
167.08696	1.4
169.10074	6.2
171.11685	6.8
173.04477	4.7
173.09639	4.5
173.11946	1.5
173.13193	6.7
175.07628	1.9
175.11194	12.4
177.12753	3.6
179.14384	2.7
181.12306	2.7
183.11650	6.2
185.13268	2.5
187.11183	4.0
189.11191	4.5
189.12778	2.9
191.10678	3.5
191.14201	2.1
193.12244	32.8
195.11711	1.5
195.13832	1.5
197.13277	4.4
199.14891	1.6
201.12810	2.6
209.11765	1.6
211.11325	3.0
211.13289	43.5
213.12709	2.4
227.12698	12.4
229.12340	1.7
229.14352	5.4
229.19505	4.6
239.17941	5.7
243.13515	1.9
247.20543	6.0
249.15024	2.4
257.19043	16.1
265.14462	1.4
267.15912	31.6
273.14780	2.1
275.20084	85.0
281.04352	1.3
283.15295	5.6
285.16937	19.1
293.21024	10.7
295.20654	1.6
301.14240	1.9
309.17044	1.8
319.15323	1.9
323.19931	1.6
331.22665	4.4
337.16397	1.9
349.23795	47.0
355.17447	6.0
359.22244	1.6
365.21124	2.0
367.24762	4.4
373.23538	1.8
379.49966	1.5
383.22336	2.2
393.18900	2.0
401.23453	2.5
411.20264	7.6
419.24377	2.8
421.30612	1.7
429.21228	19.8
431.29056	1.9
457.25601	2.2
461.28476	1.8
467.31461	3.0
475.26788	7.9
485.32593	3.0
513.35547	2.3
523.34021	3.2
541.35260	51.3
542.35413	1.8
559.27509	2.2
559.36328	46.8
577.37610	6.5
583.35535	2.0
649.37219	2.2
667.37738	4.0
685.39270	8.7
703.29388	2.2
703.40558	37.7
704.40326	1.6
721.30200	2.1
721.41687	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	721.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.8
55.01876	23.9
55.05269	1.7
55.05511	22.6
57.03199	1.2
57.03441	12.5
57.07073	1.3
61.02927	1.8
61.19167	1.3
65.03928	3.6
66.04715	1.4
67.05509	44.5
69.03433	14.8
69.06730	2.0
69.07073	28.8
70.57574	4.0
71.04980	5.7
73.02906	2.3
75.83389	1.3
79.05498	44.4
81.03422	73.6
81.07061	60.4
83.04989	24.2
83.08627	22.4
85.02914	11.0
85.06525	3.6
91.05486	63.1
93.07048	38.5
95.01356	6.6
95.04980	23.5
95.08605	31.0
97.02897	19.3
97.06538	40.3
97.10163	6.6
99.04453	4.8
99.08112	2.3
101.76333	1.3
103.05470	2.2
105.07037	76.5
107.04958	20.4
107.08595	19.5
109.02876	7.9
109.06543	7.5
109.10166	10.0
109.98897	1.2
111.04448	8.7
111.08080	10.7
113.06021	1.7
115.05479	3.0
117.07016	15.3
119.08589	44.8
121.06496	4.1
121.10149	11.6
123.04454	1.8
123.08066	6.0
123.11702	3.7
125.09639	4.0
127.03900	9.0
129.05479	3.2
129.07013	12.9
131.08563	25.8
133.06497	4.2
133.09125	1.9
133.10138	38.2
135.08034	5.0
135.11693	9.0
137.09587	4.0
141.06963	3.0
142.07729	2.9
143.08585	5.0
145.06502	3.1
145.10147	18.7
147.08011	2.8
147.11693	23.7
149.09647	11.5
149.13243	5.1
151.11220	2.4
155.08606	1.5
157.10120	11.4
159.08025	2.1
159.11700	10.8
161.13301	6.3
163.11113	8.1
165.09084	2.3
165.12769	3.7
169.10065	2.7
171.11684	3.4
173.04539	1.5
173.13257	3.4
175.11171	11.1
177.12755	4.1
179.14348	12.8
181.12260	2.0
183.11671	3.3
185.13213	1.6
187.11235	3.4
187.14972	1.5
191.10655	2.1
193.12234	26.9
197.13290	2.3
201.12883	1.8
205.12257	1.8
211.13295	33.4
213.83562	1.4
218.33546	1.3
219.13753	1.7
227.12779	2.3
235.58829	1.4
239.18021	1.6
247.20662	2.2
249.14909	3.0
255.24683	1.7
255.96915	1.3
257.18976	8.0
267.15930	35.7
275.20074	100.0
279.15884	2.2
283.15573	1.5
285.17114	8.6
293.21185	6.9
349.23764	52.1
355.17508	4.7
411.20145	4.3
413.17987	2.6
429.21262	45.9
541.35284	75.6
542.35236	2.1
559.36298	22.2
703.40558	69.0
704.40228	2.6
721.37408	13.3
721.56464	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	721.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.7
55.01874	10.5
55.05271	2.4
55.05513	33.3
57.03439	14.7
57.07052	2.5
59.04994	2.0
61.02927	4.9
65.03937	4.7
67.05506	54.2
69.03429	25.3
69.07071	20.7
70.14259	3.1
70.14664	6.2
71.04986	15.5
77.03922	1.8
79.05495	52.9
81.03419	100.0
81.07059	73.1
83.04980	20.6
83.08620	21.5
85.02899	17.5
85.06534	3.3
91.05481	59.5
93.06487	3.2
93.07047	48.8
95.04966	30.6
95.08610	27.7
97.02882	18.2
97.06536	14.9
97.10180	15.0
99.04457	7.7
99.08080	3.7
103.05461	3.4
105.07036	49.0
107.04952	13.4
107.08597	32.6
109.02869	14.7
109.06516	13.0
109.10159	19.3
111.04459	9.0
111.08131	8.4
113.02355	2.2
113.06036	1.9
115.05428	3.9
117.07022	19.0
119.08584	39.2
121.06506	8.4
121.10146	17.8
123.04423	4.3
123.08051	8.7
123.11697	6.5
125.09676	12.9
127.03929	11.7
128.06206	3.8
129.05486	4.1
129.07014	16.3
130.07805	2.3
131.04922	2.7
131.08571	25.1
133.06500	7.1
133.10129	31.2
135.07999	8.1
135.11752	7.8
137.09579	6.8
138.04739	1.6
139.11159	2.0
141.07028	3.6
142.07744	5.1
143.08578	11.4
145.06485	5.1
145.10118	22.2
147.04352	1.8
147.08041	5.0
147.11687	31.0
149.05988	2.0
149.09616	11.8
149.13217	5.7
151.11110	2.8
153.09119	2.4
155.08591	5.9
157.10150	20.4
159.08087	3.7
159.11684	12.4
161.09573	6.3
161.13246	3.2
163.11194	11.1
165.12740	3.9
167.08424	1.9
169.10126	8.1
171.11656	9.7
173.04475	32.4
173.09631	5.0
173.13235	8.5
175.11162	10.9
177.12729	5.8
181.10065	2.2
181.12225	3.9
183.11644	4.7
185.09598	4.8
185.13278	3.4
187.07491	1.8
187.11136	2.8
189.11203	5.6
189.12787	2.2
191.10641	4.3
193.12227	24.2
195.11711	2.8
195.13689	2.8
197.13225	2.7
201.12756	3.4
207.11858	1.8
207.13843	2.2
209.13367	2.2
211.13248	28.2
211.15036	2.9
215.14375	2.3
217.15825	2.1
221.13280	2.2
227.12752	9.1
229.14241	2.7
233.15584	1.9
235.13251	2.5
239.18050	3.4
247.20592	2.4
249.14859	2.1
257.18973	7.0
259.13123	2.0
267.15863	19.7
269.17700	3.8
273.18503	2.5
275.20044	34.4
285.17053	11.5
291.19507	3.2
293.21149	3.3
299.20010	5.2
301.14166	3.0
311.20132	2.6
313.21487	2.8
315.23154	2.6
317.21133	2.9
331.22842	2.1
349.23697	19.9
353.20938	2.3
355.17517	3.1
375.17944	2.5
429.21082	4.8
431.29156	3.5
449.30304	4.4
461.29037	10.1
467.31641	4.5
475.26971	2.0
479.29370	3.2
485.32407	4.0
493.28043	3.1
501.31934	2.6
523.34113	4.1
524.33948	2.0
531.36676	3.4
541.35242	46.0
542.35516	3.6
559.36304	40.4
560.36810	2.3
583.36139	2.4
587.32233	2.7
601.36652	2.3
605.32813	2.4
623.33990	10.1
667.38300	2.8
685.39075	5.6
703.40582	17.1
721.41901	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	721.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67958	1.8
53.03953	12.5
55.01870	18.1
55.05513	37.3
57.03436	15.9
57.07078	2.6
61.02917	4.3
65.03933	5.1
67.05510	74.6
68.14866	2.5
69.03155	2.1
69.03439	26.4
69.07066	26.0
69.38281	3.3
69.38683	15.7
70.14534	1.9
71.05003	11.4
79.05493	72.7
81.03420	100.0
81.07058	79.0
83.04984	29.6
83.08624	28.0
85.02899	24.2
85.06535	4.5
89.41302	2.8
91.05484	71.3
93.07043	54.0
95.01351	3.8
95.04452	2.9
95.04978	30.2
95.08614	42.4
97.02889	25.6
97.06538	28.8
97.10169	15.7
99.04450	9.6
105.07034	66.2
107.04980	20.6
107.08600	43.9
109.02888	15.7
109.06535	17.0
109.10165	25.2
111.04442	11.1
111.08076	14.7
113.05997	2.2
115.05478	4.3
117.07030	25.8
119.08596	48.0
121.06502	12.0
121.10152	23.9
123.08064	7.8
123.11712	8.8
125.09603	15.6
127.03915	13.6
128.06221	3.7
129.05466	5.7
129.07022	19.1
131.04915	2.6
131.08569	34.3
133.06490	6.7
133.10135	34.6
135.08057	10.7
135.11671	11.1
137.09593	8.1
141.06969	6.1
142.07784	4.4
143.08562	9.8
145.06487	6.1
145.10126	28.2
147.08128	10.2
147.11703	36.2
149.09636	23.9
149.13268	5.3
151.11188	5.8
155.08498	6.5
157.10144	20.9
159.11697	21.6
161.09595	4.3
161.13219	5.8
163.11240	12.3
165.12819	5.9
167.08508	2.4
169.10091	10.1
171.07988	3.3
171.10294	2.4
171.11684	9.9
173.04497	16.0
173.09624	5.0
173.13309	10.3
175.11211	17.2
175.14842	2.8
181.10156	3.0
181.12247	3.6
183.11676	7.0
185.13312	4.9
187.11214	5.7
188.25378	2.7
189.11197	8.0
189.31195	2.4
193.12239	38.7
195.11693	2.7
197.13309	4.9
199.11234	2.4
205.12283	2.8
209.13344	3.7
211.11397	2.6
211.13284	48.5
227.12692	13.8
229.14316	9.6
229.19505	4.5
233.15161	2.6
239.17868	6.4
247.20538	5.4
249.14911	3.4
257.18948	12.2
267.15958	25.1
273.18643	4.3
275.20071	85.1
285.17017	22.5
293.21124	7.5
299.20001	3.9
313.21246	2.4
317.21176	2.8
319.15506	2.8
331.22900	4.4
347.22369	2.4
349.23743	48.2
355.17874	2.5
373.23822	3.9
383.22244	2.4
383.42978	2.3
401.23169	2.3
411.20294	4.5
419.24338	2.7
429.21002	14.2
437.24832	3.3
439.27005	3.3
449.30453	5.5
461.28909	4.4
479.30411	3.1
485.32486	2.7
493.27643	5.0
513.35748	3.7
523.34106	6.9
541.35272	55.3
559.36377	52.8
623.34369	3.9
667.38177	4.9
685.38940	7.0
703.40649	39.9
704.40381	2.4
721.41370	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	721.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99870	1.5
65.03944	0.8
70.04919	3.3
77.06093	0.8
82.99859	1.9
85.02890	1.2
91.05475	4.0
91.39735	0.8
97.02906	1.7
101.00876	11.6
109.02885	1.8
113.00883	3.9
115.02454	1.6
119.01929	16.9
119.04933	12.1
127.02416	3.4
127.03935	1.1
128.83636	0.8
129.00336	1.5
131.01930	10.9
133.03488	1.8
133.06570	1.3
139.02409	1.5
143.01904	25.4
144.02086	1.1
145.03481	10.7
147.01376	3.4
147.04410	100.0
148.04759	2.3
155.01898	14.2
155.03117	1.2
157.03474	6.0
161.02956	20.3
162.14107	0.9
167.01897	9.6
169.03485	4.0
171.01393	2.9
171.05078	2.1
173.02982	18.8
175.47783	0.8
179.01869	3.5
179.05600	1.2
181.03488	1.6
183.01454	1.9
185.02959	28.8
186.03171	0.8
187.02429	2.1
187.04504	2.3
189.02434	1.1
191.01787	1.0
191.04057	1.4
193.03519	0.8
197.02953	11.5
197.06648	1.5
199.04579	1.2
201.02437	3.3
203.04001	9.3
203.05774	1.1
205.03476	13.1
206.12209	0.8
209.03023	1.5
213.02391	1.0
215.04027	6.4
221.03241	0.9
221.05157	3.6
223.04546	12.9
227.03978	8.1
229.01599	1.0
229.03534	13.0
233.01266	1.4
233.03178	1.8
237.05978	2.3
241.03429	2.8
241.05606	6.3
243.05072	2.7
245.05067	58.7
246.05473	1.8
247.04549	37.5
249.06079	1.1
257.05121	3.1
259.04703	13.2
261.02557	2.1
261.06085	7.1
263.03900	1.7
263.06165	7.5
265.05579	36.4
266.05872	1.8
266.66263	0.9
269.03043	2.7
271.04517	2.3
273.06036	2.9
275.02341	6.5
275.06085	5.8
277.04034	3.2
279.06900	1.4
283.06705	5.5
285.04456	4.1
287.04184	12.8
289.05618	3.5
291.07275	1.6
293.03622	1.7
293.07104	1.8
295.06509	1.5
299.04022	3.2
301.05573	3.1
303.58096	0.9
305.04266	0.7
305.07510	6.5
307.06680	7.1
315.03482	1.8
317.03738	1.1
319.06464	1.2
323.05939	2.1
325.07715	1.3
329.05090	2.2
331.06702	1.1
333.04684	0.9
335.04910	1.3
335.08551	1.3
343.03098	1.7
347.05981	1.2
349.07739	9.4
351.05719	1.7
353.06793	1.4
359.04599	5.0
361.04037	15.6
365.09372	7.5
367.08780	12.2
377.05701	7.1
379.05060	8.7
380.05975	2.2
389.07114	2.4
391.08914	1.4
393.06982	1.0
395.06705	5.0
397.06186	11.5
399.07623	0.9
403.05106	8.4
421.06113	19.5
422.06070	1.3
431.08249	11.1
433.05978	3.3
433.11316	0.9
439.07156	11.7
449.09302	6.6
451.07355	6.0
457.08389	2.0
463.07190	2.0
469.08047	1.6
481.07996	4.7
499.09137	2.9
505.08023	5.9
523.09265	16.2
529.14227	8.3
539.10968	2.6
541.10425	10.7
557.11890	2.1
559.11255	3.6
685.14813	7.3
703.15509	6.7
721.16650	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	720.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01875	1.7
55.05278	1.1
55.05515	8.8
57.03437	5.9
57.06831	1.3
57.07079	17.6
61.02928	2.3
65.37431	1.3
67.05512	11.7
69.03429	2.0
69.07075	5.9
69.09108	1.2
71.03228	2.7
71.04987	2.4
71.08629	13.7
71.39864	1.2
79.05496	8.8
81.03423	27.7
81.07054	18.5
83.04999	5.9
83.08621	14.8
85.02914	10.3
85.10190	7.0
91.05480	10.1
93.07037	6.9
95.04962	11.6
95.08611	15.6
97.02904	2.7
97.05273	1.1
97.06520	1.7
97.10149	4.4
105.07027	6.8
107.05002	2.5
107.08582	3.5
109.06495	2.6
109.10151	6.0
111.08099	5.5
111.11741	1.2
113.06035	1.2
117.07029	1.1
119.08582	9.0
121.10131	3.7
123.08069	1.2
123.11736	1.4
129.07030	4.5
131.08542	4.2
133.10126	5.0
137.09552	1.1
147.11696	7.0
149.09612	3.6
157.10114	6.8
162.30579	1.3
175.11215	7.4
193.12248	22.8
197.22964	1.0
211.13303	28.8
225.13875	1.4
239.23639	1.9
267.15921	9.3
283.53375	1.1
285.16983	30.9
286.09164	1.1
289.88843	1.1
313.27368	38.8
318.74194	1.2
334.60959	1.1
404.19754	1.2
418.17496	2.7
432.18948	1.7
433.19946	1.5
434.20557	3.2
447.21524	2.4
448.21982	3.7
460.22144	1.2
475.21112	4.8
476.21732	9.4
477.22385	2.2
504.21002	2.3
505.39001	9.3
523.39960	100.0
524.40131	1.5
535.23383	2.3
536.23639	9.3
562.25140	2.3
563.25470	2.3
564.26392	1.7
622.27832	12.1
623.28180	60.2
624.28467	3.8
660.33008	1.3
683.25629	1.4
720.34052	3.2
721.35345	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	720.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25424	0.8
53.03942	2.0
55.01871	1.4
55.05513	9.3
57.03191	1.1
57.03444	11.2
57.07078	28.3
57.58438	0.9
59.05011	1.0
61.02920	3.3
67.05507	17.9
69.03417	2.8
69.07072	7.2
69.26910	4.7
69.27332	2.0
70.90182	0.6
71.04990	1.5
71.08638	19.9
73.02908	1.4
79.05496	12.2
79.05921	1.5
81.03420	30.8
81.06583	1.5
81.07059	24.3
83.04988	7.3
83.08624	18.6
85.02905	13.4
85.06577	0.8
85.10188	11.6
89.06027	2.5
89.88446	0.7
91.03947	1.1
91.05481	16.0
93.07050	8.3
95.04973	13.5
95.08611	17.2
95.09161	0.7
97.02885	2.4
97.06537	1.5
97.10165	5.1
103.07599	1.0
105.07031	12.3
107.04956	3.1
107.08599	3.1
109.06522	2.4
109.10160	7.3
111.04457	0.9
111.08074	4.0
113.53183	0.9
115.05466	1.5
117.07008	1.2
117.60462	0.7
119.08589	11.4
121.06561	0.9
121.10144	5.2
123.11721	2.3
125.09608	0.9
127.03941	1.3
129.07033	4.6
131.08571	6.2
133.06525	2.1
133.10129	5.6
137.09647	1.0
137.13171	1.2
142.07785	1.7
145.66557	0.8
147.08130	1.2
147.11694	6.7
149.09622	3.3
157.10155	7.9
165.12733	1.7
175.11197	7.5
193.12242	21.9
211.13304	26.9
239.23827	2.4
257.24872	1.5
267.15866	11.6
285.16962	37.7
313.27368	82.3
314.27628	1.7
349.02240	0.8
505.38895	17.7
523.39941	100.0
524.40234	3.3
623.27509	0.9
667.35834	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03856	0.5
53.03921	1.1
55.01847	1.7
55.05508	12.5
57.03439	14.2
57.07076	31.4
61.02931	4.2
64.00298	0.4
65.03905	1.1
65.54967	0.5
67.05505	20.5
69.03425	2.8
69.07066	9.8
71.04988	3.5
71.08632	23.0
71.54304	0.7
73.02871	1.8
75.04478	0.5
79.05494	15.8
81.03416	45.5
81.07056	29.5
83.04983	12.6
83.08617	24.6
83.09338	0.7
85.02907	20.7
85.06501	1.7
85.10180	11.1
89.05999	1.7
90.24368	0.5
91.03915	2.2
91.05482	25.4
93.06501	1.0
93.07042	13.4
95.04970	17.6
95.08607	21.0
97.02908	4.0
97.06509	2.4
97.10170	6.9
99.04425	0.9
99.08071	0.7
101.06046	0.6
103.07537	0.8
105.04485	0.6
105.07034	16.8
107.04295	0.5
107.04958	6.1
107.08588	6.0
109.06519	2.8
109.09491	0.6
109.10155	9.9
111.04406	1.7
111.08077	7.6
111.11713	0.5
113.05965	1.2
115.05427	1.1
117.06944	1.6
119.08580	14.7
121.06484	0.9
121.09361	0.6
121.10140	7.5
123.08068	2.3
123.11715	3.9
125.09587	1.3
125.13241	0.5
127.07534	0.8
129.06996	7.9
131.08571	8.8
133.06503	2.4
133.07394	0.5
133.10130	8.8
135.11655	0.7
137.09592	0.9
137.13219	1.3
142.07771	2.2
145.10052	1.6
146.43587	0.5
147.08049	2.4
147.11681	12.0
149.09608	5.1
151.11127	1.0
152.70305	0.5
157.08989	0.7
157.10144	10.8
163.11206	0.9
165.12727	2.0
175.09782	0.8
175.11185	11.8
184.07295	0.7
193.12244	35.4
210.51164	0.5
211.13290	51.5
222.68327	0.5
239.23717	1.7
249.14680	0.7
257.24744	2.0
267.13031	0.8
267.15909	18.0
285.16959	71.0
286.17291	1.1
313.27362	73.7
314.27777	1.9
340.98325	0.5
505.38879	12.8
523.39948	100.0
524.40173	3.5
720.34149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
55.01873	4.9
55.05513	18.9
57.03441	17.0
57.07062	2.7
61.02930	6.3
65.03933	2.6
67.05511	41.5
69.03138	0.8
69.03438	9.1
69.07073	21.1
70.47358	1.9
71.05009	7.9
73.02940	1.9
79.05499	44.3
81.03425	100.0
81.07066	47.8
82.03797	0.9
82.07391	0.8
83.04987	21.1
83.08627	27.8
83.09121	1.7
83.73807	0.8
85.02912	37.4
85.06547	4.9
91.03944	2.4
91.05489	49.2
93.07051	42.4
95.04370	1.7
95.04977	34.5
95.08614	27.2
97.02899	6.5
97.06534	8.9
97.10172	4.5
99.04443	1.1
99.08088	1.8
103.05466	2.0
105.04508	2.0
105.07039	30.8
106.07404	0.8
107.04967	7.9
107.08602	17.8
109.02914	1.6
109.06529	8.2
109.10171	9.7
110.10598	0.8
111.04445	3.1
111.08086	13.1
111.11745	1.4
113.06041	3.8
115.05471	2.4
117.07039	9.5
119.04946	1.1
119.08595	33.2
120.08889	1.0
121.06528	13.6
121.10155	18.2
123.08086	8.2
123.11687	2.2
125.09637	2.9
127.03942	1.1
128.06235	1.4
129.07025	14.1
131.08585	18.7
133.06512	3.6
133.10147	20.5
135.08049	4.4
135.11673	5.6
137.09639	5.8
137.13280	1.5
142.07776	2.6
143.08601	6.3
145.06505	1.0
145.10173	5.0
147.08073	4.5
147.11696	18.9
149.09628	8.0
149.13261	3.1
157.10149	18.1
159.11736	3.9
161.09647	1.1
161.13283	3.0
163.11142	1.6
165.12781	3.9
173.13266	1.0
175.11205	16.3
175.14828	6.3
185.13275	10.0
189.11122	1.0
193.12256	43.0
193.15863	2.8
194.12509	1.5
203.14314	3.0
211.13319	59.7
213.05394	0.8
221.15379	56.7
227.12630	1.1
239.16446	72.1
240.16820	1.0
249.14932	1.0
249.68274	0.8
256.22562	0.8
258.51270	0.8
267.12964	1.5
267.15942	30.4
273.18378	1.3
285.16986	70.3
295.19070	18.1
313.20108	42.2
347.22177	1.1
393.13501	1.1
395.25665	2.5
402.86890	0.9
413.26990	4.5
431.27875	2.4
459.27655	1.0
461.28931	1.5
469.29651	2.0
477.28491	2.2
479.30328	1.4
487.30597	24.8
488.30563	1.1
489.13348	0.9
505.31656	31.3
523.32745	97.2
524.32813	3.1
540.34583	1.3
558.34918	1.6
702.38770	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.6
56.60360	1.5
57.03441	3.3
67.05502	9.3
69.07065	4.7
69.50868	11.1
71.04996	1.5
73.02917	1.5
79.05481	9.2
79.20074	1.6
81.03418	25.9
81.07073	10.0
83.04975	5.1
83.08626	14.1
84.08170	1.9
85.02905	10.0
91.05481	14.0
93.07050	7.3
95.04968	9.1
95.08607	4.5
97.02888	3.1
97.06522	2.3
105.07005	7.2
107.04952	4.5
107.08572	4.6
111.08087	5.4
119.08582	7.7
121.10126	4.5
123.08100	1.6
129.06982	4.8
131.08528	3.6
133.10130	8.9
142.25397	1.6
143.44833	1.7
147.07880	1.6
147.11714	9.0
149.09633	3.2
150.91756	1.7
157.10127	8.9
161.09685	2.0
171.06801	2.0
175.11217	8.7
185.67061	2.0
193.10472	1.7
193.12263	34.5
211.13297	90.1
212.13614	2.1
249.14731	2.0
267.15921	38.3
285.16986	100.0
286.17123	2.5
385.23630	2.8
459.27493	21.8
471.87405	1.7
477.28491	30.9
495.29587	63.5
720.41553	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	719.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25455	1.4
53.03958	9.4
54.40041	1.4
55.01876	5.9
55.05272	2.1
55.05517	27.1
57.03442	12.9
57.07079	4.3
59.05007	1.8
61.02931	5.6
65.03944	5.5
65.76582	1.5
67.05511	76.2
69.03426	6.4
69.07072	23.5
70.18446	1.4
71.04999	7.0
71.52437	1.9
73.02905	3.0
73.06559	2.1
79.05499	100.0
81.03416	13.6
81.07063	72.7
83.04990	12.2
83.08635	12.5
85.02911	6.3
85.06545	6.0
91.03962	3.4
91.05489	92.3
92.05853	1.7
93.07050	93.9
95.04968	18.4
95.08617	43.3
96.35371	1.4
97.02903	6.5
97.06545	8.6
97.10181	7.0
99.04497	1.6
99.08089	2.8
103.05482	2.9
105.04522	3.5
105.07037	92.2
107.04967	11.2
107.08611	34.8
109.02902	2.0
109.06502	7.6
109.10168	14.7
111.08096	4.3
115.05463	3.7
117.07030	23.9
119.08588	69.1
121.06532	3.1
121.10146	20.2
123.08078	6.7
123.11694	3.5
127.03957	3.0
128.06215	4.1
129.07021	29.0
130.07777	3.2
131.08585	30.9
133.06560	1.7
133.10141	49.8
135.08057	3.7
135.11676	14.1
137.09610	2.9
141.06996	3.7
142.07791	3.0
143.08583	23.6
145.10138	36.3
147.08052	4.7
147.11705	60.6
149.09659	3.1
149.13245	11.1
151.11166	2.2
154.07832	1.6
155.08571	7.4
157.10144	17.4
159.11696	20.6
161.09613	5.8
161.13269	31.5
163.11226	3.3
163.14854	2.7
167.08633	4.3
168.09320	1.9
169.10118	11.2
171.11720	41.4
173.09581	1.5
173.13264	16.5
175.11215	2.1
175.14845	12.2
177.12798	5.0
179.08516	1.8
180.09441	1.6
181.10165	8.6
183.11707	8.8
185.13280	14.3
187.14836	5.3
189.12698	8.5
189.16495	1.4
193.10135	1.8
195.11726	5.7
197.13374	7.3
199.14803	8.2
201.16473	2.1
203.14359	1.9
205.12241	1.9
207.11925	3.6
207.13797	18.6
209.13309	5.4
211.14764	5.3
213.16464	3.1
223.14914	3.6
225.16501	2.0
231.21057	6.5
241.19543	29.3
243.21144	2.8
249.16502	2.4
257.19019	4.1
259.20593	50.8
261.22073	3.7
275.20120	5.9
279.15936	12.6
281.17487	56.6
297.22003	2.3
299.20026	1.6
309.21994	2.0
315.23291	8.1
321.22400	1.9
323.23880	2.3
333.24261	37.9
353.24860	2.3
419.32840	2.2
429.31427	3.8
437.34119	5.4
447.32663	14.4
465.33643	10.4
483.34702	9.1
521.36102	5.8
529.38855	5.7
539.37341	94.1
540.37463	3.0
557.38391	42.4
558.38629	1.9
640.17505	2.1
647.39172	3.3
701.42871	8.1
719.42786	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	719.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	1.8
53.03952	8.6
55.01884	13.0
55.05513	40.7
57.03444	16.0
57.07082	2.6
59.05018	1.8
61.02937	3.5
65.03946	4.9
66.03783	1.7
67.05510	58.8
69.03434	22.7
69.07069	19.8
70.06606	2.5
70.96198	1.8
71.04989	11.3
72.94385	1.4
73.69529	1.6
77.03932	2.3
79.05502	58.2
81.03426	100.0
81.07066	71.4
81.07534	3.8
83.04993	28.1
83.08630	25.8
85.02917	23.3
85.06554	6.2
91.05491	57.1
93.07056	37.8
95.01356	1.7
95.04976	49.3
95.05573	3.0
95.08617	24.9
97.02904	25.8
97.06533	14.9
97.10188	16.4
97.48308	1.6
97.80328	1.6
99.04475	5.1
99.08118	2.7
103.05467	3.4
105.07040	40.7
107.04970	17.9
107.08613	25.5
109.02892	14.4
109.06528	26.2
109.10183	15.5
111.04453	17.2
111.08092	12.3
113.06007	9.1
115.03886	1.6
115.05469	5.1
117.07030	22.1
119.04971	3.7
119.08592	34.8
121.06491	11.1
121.10156	17.4
123.04449	5.0
123.08069	12.9
123.11744	3.5
125.09644	17.6
127.03934	13.8
128.06226	3.9
129.07030	16.4
130.07837	2.1
131.04958	4.0
131.08578	22.0
132.08888	1.7
133.06529	10.1
133.10136	17.7
135.08061	20.4
135.11679	8.0
137.09657	6.4
141.07039	3.7
142.07788	3.9
143.08572	10.9
144.05721	2.2
145.06529	5.7
145.10149	17.3
147.04468	2.4
147.08072	14.7
147.11682	14.8
149.09621	11.5
151.07527	2.4
151.11232	2.8
153.09180	2.8
153.12761	3.9
155.05959	2.0
155.08624	4.8
157.06554	3.6
157.10143	18.7
159.08121	7.8
159.11757	7.3
161.06024	2.2
161.09666	14.8
163.07568	2.8
163.11221	15.3
165.07031	2.0
165.09161	5.0
165.12817	5.7
167.08580	3.6
169.10187	5.6
171.08141	3.6
171.11763	4.8
173.04512	5.5
173.09633	9.1
173.13243	2.2
175.07567	2.4
175.11179	14.5
177.12798	3.0
179.10834	2.8
181.10147	1.8
181.12320	6.3
183.07986	2.2
183.11784	4.4
185.09656	4.8
185.13382	3.8
187.11253	4.4
189.09276	1.6
189.11186	8.0
189.12819	2.3
191.10741	5.7
193.12241	31.7
195.11757	3.1
197.09627	2.7
197.13255	1.7
199.11263	4.6
201.12863	2.1
205.12195	3.2
209.13307	3.2
211.11324	3.2
211.13290	40.8
213.09171	2.2
213.12813	2.3
217.12340	2.5
217.15941	2.5
223.13266	2.2
225.12933	2.3
227.12660	12.2
229.14304	2.1
245.19145	4.6
249.14932	3.2
255.17641	4.8
258.03171	1.9
265.14597	3.4
267.15921	8.5
273.18500	40.3
273.21213	2.5
275.20224	3.9
283.15424	4.5
285.16858	13.1
291.19571	51.2
297.18625	2.9
309.21060	2.2
313.21686	2.6
315.19760	4.2
319.15649	2.8
329.21408	4.6
337.16849	2.7
338.68546	1.7
347.22192	14.5
353.21198	2.2
355.17673	2.5
365.04468	1.8
365.23376	6.6
371.21866	2.4
381.20590	8.3
383.21725	2.1
399.21771	5.9
411.20447	5.6
417.22797	3.0
429.21170	8.5
455.24625	2.6
465.30173	2.6
473.25742	3.2
539.33881	12.6
557.34711	34.3
571.51685	1.9
575.35950	10.7
653.36835	3.2
665.37042	11.0
671.38898	2.5
683.37958	14.2
701.39240	21.8
719.40149	56.6
720.40546	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	719.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.5
57.03445	0.7
57.07071	2.2
57.93155	0.5
66.02209	0.5
67.05503	1.9
69.07056	0.9
70.54547	0.5
70.81126	0.5
71.08636	1.2
75.29051	0.5
79.05499	2.2
81.03423	1.2
81.07056	2.6
81.42880	0.6
83.08632	1.5
85.10164	0.6
89.06013	0.6
91.05485	0.8
93.07048	2.6
95.04987	1.2
95.08614	3.0
100.00515	0.5
105.07034	1.6
107.04966	0.8
107.08615	2.2
109.10170	1.4
117.07064	0.5
119.08608	1.4
121.10150	0.9
124.13900	0.5
129.06999	0.6
131.08588	0.8
133.10144	0.6
135.11690	2.8
136.12083	0.5
145.10121	1.1
157.10120	0.8
158.09705	0.7
163.11168	3.3
164.11554	0.8
204.06700	0.7
208.09854	0.7
209.10899	0.7
210.11424	0.9
211.13313	0.7
223.08653	1.0
223.12407	1.6
225.10283	1.3
225.13921	3.2
225.95947	0.6
226.14746	1.1
227.12700	2.8
228.13243	0.8
235.08954	0.6
237.13847	1.8
238.14693	0.7
249.13911	1.1
251.08235	2.0
270.13712	0.8
283.15387	3.6
284.15796	2.7
285.16843	1.0
301.12372	0.5
313.27426	5.4
314.12985	0.8
314.27771	3.4
316.14780	0.6
340.14551	0.8
389.18097	0.8
405.21091	0.6
416.16635	0.7
417.17160	3.1
418.17947	2.1
419.18195	0.7
427.18887	0.6
431.19098	3.2
432.19437	2.8
433.20154	4.6
445.16595	1.6
447.21848	9.2
448.22473	1.4
455.18658	0.9
459.22229	1.1
460.19083	1.1
461.19305	0.7
474.20560	1.6
475.21323	23.4
476.22003	4.9
489.23044	1.1
503.20206	2.8
507.23758	1.0
519.23315	0.7
521.38641	2.0
522.38837	6.0
523.39954	3.1
535.23346	16.1
535.30865	0.9
536.23840	1.1
547.23077	2.4
549.25159	1.4
561.25098	4.9
562.25812	6.2
563.26440	3.0
590.25403	1.7
607.25726	0.7
607.43506	1.3
621.27252	9.0
622.27893	100.0
623.28210	5.0
701.34070	1.0
701.47559	1.5
719.34100	2.9
719.47607	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.4
57.04176	0.4
58.29185	0.4
64.76042	0.4
79.05470	0.5
81.07056	0.6
89.06038	0.4
91.05494	0.6
93.07041	0.8
95.04942	0.5
107.08598	0.5
119.08550	0.7
129.83794	0.4
197.10884	0.4
209.10767	0.9
210.11494	0.6
211.08815	0.6
221.10800	0.5
223.08748	1.0
223.12355	1.7
224.13173	0.8
225.10271	1.0
225.13847	3.3
226.14754	0.7
235.12233	0.5
237.13954	1.2
238.14755	0.8
239.15495	0.9
249.13980	1.0
251.08231	1.5
309.08792	0.8
326.12833	0.5
354.16293	0.5
358.15414	0.5
368.13962	0.5
376.91177	0.5
389.17844	1.2
396.98941	0.5
399.19623	0.6
403.15561	1.5
404.16107	0.6
405.21008	0.7
412.16019	0.4
416.17349	0.5
417.17056	3.1
418.17783	2.1
419.18201	0.8
419.22955	0.7
427.19254	0.5
431.18716	1.8
432.19464	2.4
433.20206	3.7
444.19791	0.5
445.16428	1.7
445.21387	0.6
446.21375	0.6
447.21899	9.1
448.22583	0.9
459.22156	0.7
461.19553	0.9
462.20865	0.6
474.20474	1.1
475.21329	20.9
476.22064	3.8
477.23251	0.6
487.21246	0.5
489.22830	1.3
503.20389	3.2
505.22098	0.5
519.23956	1.5
521.24597	0.5
535.23376	14.3
536.23608	0.8
547.23151	2.3
549.25201	1.5
561.24860	5.1
562.25623	2.3
563.26691	2.8
579.26074	1.1
589.25281	0.6
590.25586	0.9
607.25854	1.0
621.27094	7.8
622.27863	100.0
623.28259	3.6
701.34369	0.8
719.33704	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
54.05872	0.8
55.01878	2.3
55.05514	20.8
57.03440	11.8
57.07082	5.7
59.13877	0.8
60.57763	0.8
61.02937	3.6
64.40258	0.7
65.03954	0.9
67.05507	24.3
68.07918	0.8
69.03445	3.0
69.07071	25.8
71.05000	3.9
71.08645	1.4
71.52598	1.2
79.05499	21.8
81.03423	43.6
81.07056	32.8
81.07527	1.7
83.04989	12.1
83.08627	28.2
85.02914	19.2
85.06554	1.7
85.10191	1.4
86.09729	0.8
91.03992	2.0
91.05485	19.4
91.06018	1.2
93.07050	19.9
95.04974	16.0
95.08613	17.7
97.02928	3.0
97.06525	4.5
97.10183	10.9
99.04411	1.0
102.70766	0.9
105.07040	15.1
107.04961	4.8
107.08591	9.0
109.06543	2.5
109.10159	4.5
111.04455	1.0
111.08105	7.2
111.11745	2.5
113.06045	1.7
117.07024	1.7
119.08598	10.0
121.06544	1.1
121.10138	14.3
123.08111	1.8
123.11748	3.1
125.09662	1.5
129.07031	6.9
131.08601	5.4
133.06516	2.3
133.10129	7.5
135.11693	6.3
137.09685	1.0
137.13301	1.1
142.07825	2.6
145.10161	1.7
147.08067	2.5
147.11707	9.5
149.09634	4.4
149.13287	2.5
153.12857	1.0
153.68575	0.8
157.10123	11.2
165.12785	2.0
175.11194	9.0
184.07413	1.0
193.12247	27.5
196.07326	0.9
211.13297	45.1
213.17650	0.9
219.21082	2.2
237.22130	2.3
267.15936	16.7
285.16974	60.5
311.25818	61.3
312.25888	1.5
335.98953	1.0
373.17349	0.9
503.37296	11.5
521.38416	100.0
522.38715	2.6
699.48346	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06694	0.7
53.03945	3.1
55.01884	4.1
55.05264	1.2
55.05515	16.5
57.03445	10.2
57.07080	1.0
59.05006	4.3
61.02934	3.3
61.69172	0.6
65.03939	2.6
67.05508	100.0
69.03427	4.9
69.07074	17.8
71.05002	5.1
71.08625	0.8
73.02912	1.2
79.05019	0.8
79.05495	24.4
81.03426	6.8
81.07061	42.7
83.04996	5.4
83.08621	13.9
83.09116	0.7
85.02901	5.5
85.06566	4.3
86.93603	0.7
91.03973	1.7
91.04910	1.1
91.05484	22.5
93.07046	26.1
93.07642	1.3
95.04979	4.7
95.08614	18.0
97.02890	4.6
97.06538	7.0
97.10178	9.5
99.04508	0.7
99.08103	1.9
105.04526	0.7
105.07034	16.2
107.04962	4.5
107.08601	21.2
107.29437	0.8
107.70100	0.7
109.02904	1.8
109.06538	3.5
109.10164	80.0
110.10469	0.9
111.04493	0.9
111.08082	5.3
113.09638	1.2
115.05513	0.8
117.07022	7.2
119.08591	17.7
121.06556	2.4
121.10149	8.7
121.10928	0.9
123.08103	2.6
123.11768	2.0
125.09647	7.1
127.03931	1.9
129.07047	2.6
130.07829	0.8
131.08585	9.7
133.10138	11.0
135.08099	2.6
135.11714	6.7
137.09599	5.7
141.07040	0.8
143.08621	3.0
145.06602	0.8
145.10129	10.1
146.10460	0.7
147.08089	0.9
147.11693	6.8
149.09639	7.7
149.13266	4.8
151.11192	1.3
155.08630	1.2
155.10680	4.7
157.10207	2.4
159.11716	7.7
161.13310	2.7
163.11192	5.4
169.10208	1.8
169.36494	0.7
170.05011	0.7
171.11707	1.4
173.04535	1.4
173.11780	20.2
173.13298	3.1
175.11214	1.0
177.12820	2.1
179.14371	1.4
181.12407	0.8
183.11751	1.9
185.06139	0.7
189.11299	5.5
189.12814	1.1
193.12463	0.7
195.13913	1.9
197.13313	1.6
200.47334	0.7
210.94350	0.7
211.13263	0.9
227.12778	17.5
227.14867	1.0
229.14357	67.9
229.90121	0.7
239.18039	2.6
247.20692	1.3
251.16309	0.9
253.17966	0.8
255.15910	3.5
257.18997	7.0
258.89221	0.8
267.16064	2.3
269.17453	10.5
275.20074	23.5
293.21194	2.1
321.24524	1.1
325.20251	1.5
331.22745	1.7
349.23758	21.4
367.24875	1.4
383.24512	1.0
389.18143	0.7
399.24002	6.9
407.28003	1.3
409.25949	15.4
413.21698	1.5
423.27448	53.9
424.27756	0.9
447.27826	0.8
463.30768	1.4
485.32553	1.4
496.66708	0.7
503.33698	42.8
504.34241	1.7
521.34790	7.9
543.28021	1.5
567.32117	2.7
619.36353	0.8
647.37476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01868	2.6
55.05518	9.6
57.03438	7.9
57.07083	28.8
67.05512	14.4
69.03406	1.1
69.07082	7.7
70.11098	5.4
71.04996	2.6
71.08646	17.2
79.05496	15.2
81.03456	2.0
81.07060	16.7
83.04977	2.7
83.08631	12.2
85.02923	1.5
85.10190	10.6
86.68629	1.3
89.06055	2.4
91.05475	4.3
93.07056	23.8
95.04977	5.1
95.08617	36.7
97.02899	3.4
97.06527	1.6
97.10165	4.6
98.21452	1.7
99.04444	3.2
103.07688	1.1
105.07045	4.4
107.04964	4.7
107.08608	19.5
108.94254	1.1
109.10152	6.7
117.07024	6.0
119.08617	6.7
121.06547	4.3
121.10148	9.6
123.11728	3.6
125.05969	2.8
133.10114	2.3
135.08084	1.8
135.11703	37.1
139.07593	1.7
143.08577	1.6
145.10152	23.1
163.11197	51.1
181.12265	7.6
182.82597	1.2
203.12427	1.2
227.10558	2.6
227.12811	51.8
239.23726	1.3
252.11064	1.1
257.24826	1.7
283.15421	81.5
284.15906	2.1
313.27399	88.8
314.27798	1.9
453.89304	1.2
475.21402	1.8
521.38458	100.0
522.38556	3.4
535.23431	3.2
622.27875	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	717.419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.1
57.03437	2.0
61.02923	5.2
67.05506	6.0
69.03435	3.1
69.07057	1.4
71.05014	0.9
71.53230	1.2
72.80370	0.8
73.02930	5.2
79.05487	4.6
79.75788	0.9
81.03421	1.9
81.07069	6.0
85.02917	4.0
87.18048	0.8
91.03979	2.9
91.05501	2.0
93.07063	5.1
95.08625	3.5
96.36752	0.8
97.02895	4.5
97.10183	1.1
101.02386	1.8
101.31625	0.7
105.07005	1.7
107.08617	2.4
109.10166	1.1
115.69983	0.8
119.08613	1.2
121.10155	2.0
127.03950	1.5
128.63864	0.7
135.11710	2.6
159.11815	1.0
176.63834	0.8
184.07423	1.1
185.04269	0.9
221.11554	1.5
243.08368	1.3
439.19376	4.6
519.29327	6.9
672.06012	0.9
685.97742	0.8
717.41901	100.0
718.41748	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	715.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01878	0.6
55.05499	1.3
57.03436	1.8
58.62755	0.4
61.02932	3.6
67.05495	1.7
69.03435	2.2
69.07066	1.4
71.01363	0.6
71.05005	0.6
71.53817	0.5
73.02917	3.1
74.79564	0.4
79.05493	2.7
81.03421	5.1
81.07048	2.8
83.04995	0.9
83.08624	1.8
85.02908	4.6
85.06522	0.5
91.03988	2.1
91.05487	3.6
92.24876	0.4
93.07044	2.8
94.24142	0.4
95.04974	2.3
95.08641	1.9
97.02902	3.6
97.06569	0.8
99.04445	0.6
99.41882	0.4
101.02372	1.5
103.03929	0.5
105.07014	2.1
107.04935	1.0
107.08636	0.6
109.02890	1.2
109.06580	0.5
111.04443	0.5
111.08051	0.7
115.03997	0.5
119.08596	2.2
121.10177	2.4
127.03930	1.4
129.07022	0.8
131.08572	2.0
133.10146	1.2
137.05972	0.5
139.03926	0.5
139.11201	1.1
142.82007	0.4
147.04439	0.9
147.11720	1.3
149.09668	1.7
157.10159	1.1
163.24287	0.4
175.11237	1.5
193.12228	2.7
211.13359	0.8
224.24066	0.4
226.42752	0.4
243.08458	2.4
244.43240	0.5
250.14484	0.7
251.12563	1.5
251.14877	0.4
252.16035	1.4
265.14084	0.4
267.15845	0.5
269.13605	1.4
271.39880	0.4
285.16995	0.5
302.16693	0.4
307.15103	0.9
326.19739	0.5
340.85767	0.5
409.27197	0.5
443.18939	5.6
469.20474	13.0
487.21585	5.5
536.32037	1.0
671.32623	2.6
697.33948	1.8
715.35138	100.0
716.35376	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	714.5514
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
50.28920	0.3
53.03928	1.5
55.01866	0.4
55.05276	0.3
55.05513	5.4
56.05048	3.3
56.80912	0.3
57.07082	2.8
58.06587	0.8
60.04512	2.4
61.02919	0.4
65.03932	1.1
67.04240	0.5
67.05508	11.3
68.05009	1.0
69.03412	1.4
69.06728	0.5
69.07071	6.9
69.81170	1.5
70.06238	0.3
70.06593	2.0
71.08633	2.0
77.03971	0.3
79.05494	9.1
80.05023	2.6
81.03413	0.6
81.05794	1.2
81.06595	0.6
81.07059	10.1
81.83794	0.3
82.06585	6.2
83.04986	0.3
83.08615	4.0
84.08134	0.5
85.02901	2.4
85.10165	0.9
86.06070	0.5
91.05482	8.7
93.05797	0.6
93.06481	0.6
93.07045	9.3
94.06567	16.9
95.04971	1.0
95.07352	7.3
95.08611	8.1
96.08134	4.9
97.02863	0.8
97.06534	0.4
97.10162	2.9
98.06055	0.6
100.07622	0.5
105.04535	0.3
105.07047	6.0
107.07354	0.4
107.08591	4.9
108.08116	3.1
109.02868	0.4
109.10166	2.7
110.09686	0.5
111.11718	0.7
117.06936	0.4
119.08582	5.2
121.08880	0.5
121.10155	5.2
122.09681	2.1
123.11689	1.3
124.11224	0.5
133.10127	3.7
135.10612	0.6
135.11674	3.1
136.11198	0.8
137.13261	0.7
147.11687	1.6
147.12717	0.3
149.13232	1.0
149.95587	0.3
151.14838	0.4
161.13237	0.9
163.14810	0.5
175.13176	0.4
175.14757	0.4
182.18927	0.3
219.21016	0.6
223.37476	0.4
233.22607	3.8
234.22186	0.8
245.22658	5.4
250.25316	7.6
254.24881	1.0
260.23615	0.6
262.25296	100.0
263.25864	1.6
264.26932	0.6
272.25854	4.4
280.26370	6.3
282.24152	0.6
312.25278	0.5
336.29276	0.4
368.31500	0.4
442.31427	0.4
449.08911	0.3
504.47812	6.1
516.47760	33.0
517.48047	1.2
518.49310	6.0
523.68164	0.4
534.48792	20.7
535.48950	0.7
696.42712	0.6
696.54047	7.8
722.24896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87731	3.7
55.05499	12.3
57.03425	11.1
59.04997	3.8
67.05513	55.2
69.07061	7.9
69.64877	5.2
69.65289	19.9
79.05507	29.3
81.07066	42.1
83.08624	3.8
85.02925	3.8
85.06527	5.1
86.09721	7.9
91.05478	15.4
93.07046	29.7
94.44476	4.0
95.04959	5.0
95.08575	28.4
99.23984	3.4
105.07013	16.1
107.08607	11.7
109.10163	39.7
117.07059	3.9
119.08576	15.8
121.10145	12.7
123.11669	5.5
124.99989	5.4
131.08586	7.9
133.10074	9.6
135.11676	10.3
140.84056	3.7
145.10130	8.0
147.11707	8.7
149.13193	6.4
155.10635	4.8
159.11664	4.7
163.14833	6.1
164.89825	4.0
165.12740	3.8
173.11728	16.3
173.13248	7.3
184.07336	26.8
185.13275	4.4
193.65891	3.9
227.12770	4.0
229.14363	100.0
235.10982	3.6
239.16438	6.3
261.22095	11.7
262.25336	8.6
335.25809	81.9
425.34018	4.9
489.35785	36.5
499.37714	10.7
517.38910	34.3
632.19287	3.9
714.47113	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	713.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01896	0.3
55.05501	0.4
57.03434	1.5
59.04977	0.5
61.02929	3.1
67.05508	3.2
69.03437	2.5
69.07069	1.1
71.01366	0.4
71.04995	1.1
71.53241	0.5
73.02924	2.2
79.05495	2.4
81.03424	3.5
81.07055	4.0
83.05002	0.6
83.08624	1.2
85.02908	3.7
87.04493	0.5
91.03953	2.4
91.05473	2.1
93.07049	3.4
95.04993	1.1
95.08600	1.4
97.02892	3.3
97.06555	0.9
99.04489	0.5
99.08106	0.5
101.02377	1.2
105.07063	1.4
107.08606	2.0
109.02885	0.5
109.06549	0.5
109.91399	0.3
111.08083	0.5
119.08606	1.2
121.10138	2.4
123.08104	0.3
123.11728	0.4
127.03931	1.0
129.07042	0.6
131.08583	1.1
133.06419	0.4
133.10167	1.1
135.11736	0.4
145.05017	0.3
145.10165	0.4
147.11720	1.2
149.09666	1.7
149.13295	1.1
149.55264	0.3
157.10202	1.0
159.11693	0.4
175.11188	0.7
177.12775	0.3
193.12233	2.3
197.15414	0.3
211.13420	0.3
225.14983	0.4
235.13170	1.1
243.08403	1.7
267.15939	1.0
267.47192	0.3
269.17569	0.6
283.06308	0.4
283.15234	3.5
291.15750	0.4
310.23810	0.3
339.17831	0.7
453.20969	9.8
469.20544	0.7
501.23083	12.3
501.30484	0.7
509.67706	0.3
551.31781	0.7
621.03326	0.3
713.37201	100.0
714.37482	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	714.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	19.3
57.03432	14.9
60.01791	5.2
65.03924	6.7
67.05515	80.1
67.84499	5.8
69.03416	5.8
69.07053	16.4
71.04982	7.1
77.55318	5.4
79.05491	34.3
79.67081	5.7
81.06664	6.2
81.07069	73.7
81.29729	7.1
83.08627	10.1
85.02881	6.3
86.09686	12.6
91.05521	27.7
93.07056	47.1
93.95750	6.0
95.05032	6.8
95.08604	52.8
96.70737	5.6
105.07045	32.4
107.08584	23.3
109.10156	56.7
116.30807	6.5
117.06960	9.1
119.08563	19.6
121.10114	31.4
131.08568	14.2
133.10133	16.6
135.11696	17.7
145.10085	8.8
147.11673	17.2
149.13234	9.2
159.11737	8.0
165.12752	7.6
173.11737	15.2
173.13188	9.7
182.14995	5.3
184.07297	26.8
221.03430	6.0
227.12744	6.6
229.12125	8.9
229.14346	90.1
239.16425	11.3
240.49194	6.6
260.51529	6.1
261.22064	24.9
262.25400	7.2
275.19882	5.5
317.24780	9.3
335.25833	100.0
425.34106	12.2
466.53180	6.9
489.35678	54.6
499.37506	24.7
516.47601	7.4
517.38904	60.0
624.52216	6.7
714.47388	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	713.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01873	0.5
55.05508	0.7
57.03444	1.7
61.02925	4.1
62.99538	0.4
65.03918	0.4
65.58820	0.3
67.05509	4.1
69.03427	2.8
69.07076	0.6
69.66100	0.4
71.01357	0.3
71.05005	3.9
71.52869	0.3
71.53258	0.6
73.02927	2.8
79.05511	2.4
81.03430	3.2
81.07065	5.9
83.04988	0.6
83.08640	1.2
85.02911	5.0
85.06558	0.6
91.03967	3.2
91.05492	4.3
93.07045	2.5
95.04991	1.1
95.08612	0.6
97.02895	3.6
97.06532	0.9
99.04461	0.8
101.02384	1.9
103.03971	0.6
105.07021	2.0
107.08598	1.3
109.02895	1.1
109.06506	0.4
109.10187	1.0
111.08083	0.6
117.07017	0.6
119.08618	1.3
121.10178	1.0
123.11742	1.2
124.97207	0.4
125.41701	0.4
127.03931	1.4
129.06999	0.5
131.08578	0.8
133.10146	2.3
135.11746	0.6
138.21710	0.3
147.11630	0.5
149.13324	0.6
151.11223	1.3
157.10158	1.0
159.11728	0.9
175.11201	0.4
183.13832	0.7
185.04312	0.5
187.13448	0.4
193.12318	1.4
195.13666	0.4
203.05241	0.5
243.08441	2.5
251.12679	1.1
257.17496	0.6
265.05188	0.4
267.15939	0.8
269.17502	0.4
283.06396	1.3
283.15173	0.4
285.07919	0.5
285.17093	0.4
300.20261	0.4
323.18298	0.5
453.20969	1.8
469.20352	4.6
485.23593	7.5
501.23361	0.5
523.08649	0.4
713.37244	100.0
714.37292	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	713.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.6
57.20743	0.5
59.11124	0.5
61.02918	0.8
63.48039	0.4
66.59337	0.5
67.05509	1.0
70.92697	1.0
71.04983	0.5
79.05463	0.6
81.03431	0.9
81.07048	1.6
85.02894	0.6
86.03316	0.6
91.05480	0.7
95.05025	0.5
101.54562	0.4
105.07063	0.6
108.08957	0.6
109.10162	0.8
129.07011	0.6
131.08607	0.6
151.03969	0.5
184.07346	0.7
211.13292	0.5
267.09042	0.6
285.10211	1.1
448.27820	0.8
468.72516	0.5
469.20639	0.8
485.17657	1.0
557.20404	0.6
695.41797	0.8
713.31494	100.0
714.32080	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	713.1562
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.03951	0.5
55.01841	0.3
57.03397	0.4
59.97508	0.1
61.02928	0.6
65.03905	0.2
65.99261	0.1
68.99789	0.7
69.03433	4.7
71.01343	0.1
71.04963	0.4
71.53148	0.1
72.44444	0.1
73.02930	0.7
81.03419	3.5
82.06467	0.1
85.02906	3.5
87.00835	3.8
87.04424	0.1
89.05997	0.3
91.03933	0.5
93.03374	0.2
94.24032	0.1
95.04941	0.2
97.02898	2.1
99.04461	0.8
101.02338	0.1
105.01867	1.5
105.06989	0.1
107.04926	0.1
109.02883	2.0
111.00797	0.7
115.03918	0.1
117.01208	0.1
117.01861	1.1
119.04906	0.1
121.02858	0.9
123.04443	0.2
127.03923	3.7
129.01788	0.1
133.08591	0.2
135.04478	0.1
137.01389	0.2
137.02356	2.6
145.04964	0.9
145.06111	0.1
147.02916	0.1
147.04378	0.3
149.02315	0.3
153.01836	2.8
159.02899	3.6
161.05949	0.2
163.03914	0.5
163.35555	0.1
165.01828	1.6
166.02617	0.3
171.02939	0.1
173.05945	0.3
177.03975	0.1
183.02910	0.8
183.04327	0.2
187.03857	0.2
189.03886	0.1
195.02785	0.2
201.05498	1.3
205.04918	0.1
213.03937	0.3
213.05640	0.1
214.70341	0.1
215.03291	0.1
219.06549	0.3
228.04233	0.1
229.04970	3.4
231.05000	2.2
247.06062	0.7
249.06139	0.1
257.04465	2.3
263.27454	0.1
274.04800	0.7
275.05484	0.2
281.64148	0.1
285.03918	1.0
297.41962	0.1
303.04999	100.0
304.05295	1.6
341.06589	0.1
345.06064	0.3
369.05994	0.2
371.22739	0.2
411.07230	0.1
465.10336	13.8
466.10635	0.3
533.09625	0.1
551.10358	0.1
551.18597	0.1
631.78351	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	712.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77126	0.5
53.03947	3.0
55.01854	1.8
55.05513	13.2
57.03439	14.9
57.07064	1.3
61.02924	2.7
65.03924	1.3
67.05507	55.7
68.05818	0.8
69.03405	1.7
69.07069	16.0
69.82640	3.3
71.01355	3.3
71.04997	3.6
73.02881	1.6
77.03908	0.7
79.05494	42.6
81.03407	4.7
81.07057	40.5
81.83237	0.6
83.04576	0.6
83.04984	8.1
83.08619	5.3
85.02906	2.6
85.06534	3.8
91.03926	0.7
91.05481	22.7
92.05766	0.6
93.07045	51.9
95.04989	4.5
95.08606	24.1
97.02844	0.8
97.05926	0.7
97.06530	9.9
97.09653	0.8
97.10179	9.0
99.08070	1.3
105.04497	1.1
105.07027	9.4
107.04901	1.4
107.08598	35.2
109.06472	1.6
109.09484	0.7
109.10166	12.4
111.08041	2.3
111.11694	0.5
113.06020	0.5
117.07003	6.1
119.07820	0.7
119.08591	8.9
121.06485	0.8
121.09325	1.0
121.10137	14.1
123.08043	0.9
123.11705	2.8
123.59697	0.6
125.09611	2.6
129.06924	0.6
130.07841	0.8
131.08595	5.5
133.10130	7.6
135.11694	45.2
137.09586	1.9
139.11119	0.7
140.57756	0.5
143.08549	0.7
145.09056	1.0
145.10121	11.8
147.11708	3.6
149.13254	3.9
151.11122	0.8
153.12741	1.9
159.11691	3.2
159.87000	0.5
161.13255	2.4
163.11208	4.5
163.14796	2.4
173.13272	2.9
175.14758	0.8
177.16406	0.7
181.12242	11.1
187.14781	1.8
199.13295	1.9
240.57768	0.6
243.21005	3.0
253.14388	3.7
255.15913	100.0
256.16223	1.4
259.20551	0.8
261.22177	9.9
317.24680	2.4
321.24405	1.3
329.50156	0.7
333.24243	0.9
335.25806	43.3
336.26105	0.8
386.08163	0.6
402.61798	0.7
405.31396	0.7
423.32645	1.5
441.33456	1.5
515.37323	73.9
516.37830	2.5
533.38611	1.8
650.03986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01865	3.3
55.05514	11.3
57.03438	12.5
61.02913	1.0
65.03953	0.9
67.05505	17.4
69.03421	3.2
69.07069	4.7
70.71969	1.8
71.05002	3.8
79.05496	20.5
81.03421	88.9
81.07059	19.6
82.07372	0.7
83.04993	10.0
83.08150	1.4
83.08624	23.4
85.02905	11.9
85.06557	1.2
91.05483	26.3
91.28124	0.8
93.07053	13.0
95.04975	29.7
95.08605	8.6
97.02898	3.9
97.06544	3.7
97.10171	6.5
97.88753	0.7
99.08085	1.1
105.07037	17.6
107.04966	8.4
107.08594	7.8
108.70664	0.7
109.06532	6.2
109.10172	4.8
111.04442	2.2
111.07487	0.9
111.08091	9.6
113.06050	1.5
115.05452	1.6
117.07011	2.4
119.04900	0.9
119.08589	16.1
121.06512	4.3
121.10146	10.3
121.20568	0.7
123.04441	1.4
123.08078	2.6
125.09643	4.2
129.07010	15.1
131.08578	12.9
133.06508	4.5
133.10138	10.1
135.08061	1.1
135.11725	1.2
137.09610	2.6
139.12851	0.7
141.07007	0.8
142.07787	3.3
143.08485	0.9
145.06480	4.7
145.10103	2.3
147.08044	3.9
147.11682	10.5
149.09608	6.3
155.08517	1.1
157.06538	1.0
157.10130	13.6
159.08012	1.2
163.11241	1.8
165.12737	2.9
169.06364	1.1
171.08011	1.1
171.11649	1.1
175.11206	13.9
185.13350	0.9
193.12251	37.2
194.12633	0.9
195.11687	1.2
197.13362	1.2
211.13278	16.9
215.14267	1.0
219.13858	1.1
229.14378	1.0
233.15364	1.1
249.14836	2.4
255.13835	2.1
267.15927	100.0
268.16452	1.6
273.14862	5.0
273.17371	0.8
285.16995	13.9
300.71838	0.8
301.14203	0.9
309.17032	0.8
331.42334	0.8
339.23264	1.2
349.21390	4.3
367.22708	9.1
385.23746	11.4
403.24835	3.4
433.25873	13.3
441.26331	6.5
459.27438	66.8
460.27826	2.1
477.28503	44.9
478.28775	1.2
495.29248	1.6
500.92303	0.8
501.28647	0.9
519.29541	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10279	0.9
52.86308	0.9
53.03938	2.5
54.52185	0.9
55.01871	1.3
55.05514	13.4
57.03440	8.7
57.07067	1.7
59.04999	1.5
61.02935	15.1
65.03945	2.2
65.23556	1.0
66.57616	1.0
67.05506	42.7
68.05838	1.4
69.03421	3.2
69.06730	1.3
69.07070	12.6
69.36662	2.4
69.37075	5.7
71.04977	4.1
73.02918	6.5
79.05498	37.7
81.03425	10.3
81.06592	2.1
81.07059	42.0
82.07368	1.6
83.04976	4.3
83.08616	10.2
85.02437	1.5
85.02907	19.3
85.06551	2.5
91.03966	12.2
91.05482	32.5
93.07049	53.6
93.07641	2.5
94.07394	1.2
95.04964	4.9
95.08614	23.8
97.02903	10.5
97.06515	3.4
97.10163	5.2
99.08090	1.9
105.07038	32.7
107.04974	2.0
107.08602	28.3
109.06561	2.3
109.10162	17.1
111.04478	1.1
111.08064	2.9
113.09647	1.2
117.07034	9.4
119.07816	1.7
119.08592	26.6
121.10150	21.2
123.08021	1.4
123.11692	4.3
125.09615	4.1
127.03902	4.3
128.06253	1.7
129.07016	7.1
131.08556	18.5
133.06523	1.2
133.10141	27.9
135.08046	1.5
135.11707	21.3
137.09586	2.0
143.08578	5.5
145.04932	4.3
145.10115	12.6
147.11690	23.5
149.09639	2.9
149.13260	15.5
151.11226	1.5
157.10135	7.2
159.11714	13.5
161.13258	14.8
163.06049	7.0
163.11188	3.3
163.14851	4.4
171.11682	8.5
173.11789	2.7
173.13264	5.9
175.11089	1.8
175.14809	6.9
177.12729	2.5
185.13289	5.9
187.14774	1.1
189.12836	1.2
193.12262	3.9
195.13789	3.4
199.14816	4.1
203.14455	1.4
209.11507	1.3
211.13271	4.0
213.16486	1.9
217.15840	1.1
229.14268	8.9
231.21077	4.0
241.19516	13.9
243.15849	1.9
259.20578	44.2
267.15793	3.7
269.17511	14.3
277.21588	5.8
285.17004	4.9
296.71741	1.0
301.16476	2.2
301.61237	1.2
333.24307	8.8
351.25305	100.0
352.25778	1.8
363.25290	2.4
375.25284	2.5
385.24234	1.6
403.24426	1.3
417.26227	1.7
423.27408	11.3
435.27576	1.5
441.26285	5.2
455.29294	1.4
459.27451	6.4
461.28714	1.9
462.28885	1.5
463.29617	3.0
477.28641	7.3
495.29367	14.8
513.32776	1.2
542.93231	1.2
714.92358	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.2
55.05519	24.8
57.03446	21.3
59.64996	2.1
61.02938	3.8
61.79539	1.9
64.82082	2.2
65.03946	3.1
65.41368	2.0
67.05517	39.6
69.03431	7.4
69.07073	17.1
70.06600	2.4
71.05006	6.7
79.05509	43.7
81.03430	76.6
81.07069	51.0
83.04993	21.7
83.08636	28.3
85.02922	20.3
85.06565	4.1
86.09726	5.0
87.04435	3.3
91.05498	55.1
93.07054	32.7
95.04981	38.7
95.08630	23.9
97.02896	9.0
97.05982	2.1
97.06548	8.3
97.10191	11.8
99.08106	2.3
105.07046	43.9
107.04974	14.7
107.08623	15.4
109.06546	11.2
109.10178	7.7
111.04465	5.4
111.08125	14.0
113.05984	2.6
117.07019	6.4
119.08595	28.8
121.06571	5.7
121.10153	14.1
123.08083	4.9
123.11735	9.3
125.00065	3.5
125.09641	6.6
129.07034	19.7
131.08554	25.1
133.06543	3.8
133.10139	25.4
135.08099	5.8
135.11731	4.6
137.09605	4.9
142.07774	6.4
145.10153	7.0
147.08078	6.1
147.11702	27.6
149.09604	10.5
149.13261	2.3
151.11218	4.8
153.33249	2.0
157.10150	27.3
163.11252	4.7
165.12798	8.8
175.11183	19.8
180.58789	2.4
184.07430	13.6
184.08881	2.6
193.12283	52.0
195.13770	2.9
211.13316	55.2
219.13872	3.8
229.28423	2.5
249.14932	3.0
267.15955	100.0
268.16312	2.6
273.14709	2.4
285.17001	79.1
303.23169	3.2
309.61386	2.9
319.30066	2.6
321.24203	4.4
367.22830	4.1
385.23566	11.2
403.24750	3.1
422.77304	2.3
458.92136	2.3
459.27454	68.2
477.28546	98.0
478.28922	5.8
495.29611	56.9
496.29620	2.6
621.32904	3.4
639.33807	4.8
663.70953	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	708.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64537	1.0
53.03939	2.9
54.91214	1.3
55.01856	1.8
55.05510	17.3
57.03438	11.1
57.07050	2.0
59.04988	1.8
61.02915	4.3
65.03937	2.2
67.05505	64.8
69.03419	3.1
69.07064	10.6
69.38876	2.5
69.39278	5.9
69.61790	1.2
71.04992	27.1
73.06530	1.3
79.05492	32.0
81.03421	47.3
81.07056	100.0
83.04983	13.9
83.08623	23.9
85.02902	25.5
85.06542	9.4
87.04454	1.4
91.03947	2.2
91.05481	45.5
93.07044	29.3
95.04969	20.3
95.08063	1.4
95.08612	15.3
97.02876	3.6
97.06536	7.8
97.10162	5.1
99.08095	2.1
103.05445	1.1
105.07034	27.7
107.04947	8.9
107.08584	13.5
109.06539	6.0
109.10157	7.6
111.04422	1.9
111.08083	9.3
113.06007	3.0
115.42924	1.1
117.07026	3.7
117.82241	1.1
119.08569	16.6
121.06465	2.1
121.10153	14.1
123.08086	3.2
123.11701	13.4
125.09615	2.4
127.03925	1.2
127.07523	1.3
129.07005	8.3
131.08583	13.5
133.06546	1.4
133.10129	25.8
135.08022	1.7
135.11661	3.2
142.07829	2.6
145.10147	1.9
147.08037	3.0
147.11699	12.4
149.09625	5.8
149.13255	6.7
151.11208	10.3
157.10123	14.0
159.11697	3.9
162.01311	1.1
163.11214	1.7
165.12788	3.3
169.12209	2.5
175.11174	14.6
177.12726	2.0
183.13757	2.8
187.13321	3.7
193.12248	29.8
195.13814	3.7
211.13278	33.3
211.15269	2.1
213.14980	1.7
225.14667	1.4
243.15921	2.6
249.14934	1.5
253.18045	1.7
257.17386	1.6
267.15930	25.7
267.18768	0.9
269.17477	17.4
285.16949	22.7
301.20108	16.8
349.23651	4.8
417.26196	3.1
420.18030	1.4
435.27399	29.2
436.27817	1.6
443.27704	2.7
453.28464	76.6
454.28360	2.6
461.28995	48.9
462.29160	1.4
467.30161	9.6
473.26746	1.3
479.30081	55.7
480.30148	3.3
493.31494	4.0
511.32690	62.3
512.33051	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	708.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.5
53.03948	2.7
55.01871	1.6
55.05517	6.8
57.03444	10.7
57.07078	0.9
61.02922	0.5
65.03962	0.6
67.05513	27.7
69.03429	1.7
69.07075	9.8
71.01376	0.9
71.04997	3.1
71.38894	0.6
72.78486	0.6
79.05499	20.1
81.03426	42.7
81.07065	36.6
83.04998	4.6
83.08150	0.9
83.08628	14.8
85.02901	1.0
85.06564	2.3
91.05495	13.2
93.07053	27.6
95.04979	15.2
95.08610	9.9
97.02910	1.4
97.06535	5.3
97.10172	2.0
99.08088	1.2
105.07045	10.3
107.04964	3.0
107.08604	13.6
109.06523	2.2
109.10179	2.2
111.04428	1.2
111.08087	7.0
115.05495	0.8
117.07034	4.3
119.04942	0.9
119.08599	6.7
121.06516	1.8
121.10159	10.9
123.08110	1.4
123.11731	1.4
125.09644	0.9
128.06271	0.7
129.07043	5.5
131.08574	7.2
133.06540	1.4
133.10126	5.9
135.08061	1.0
135.11685	3.7
137.09544	0.7
142.07835	1.2
145.10098	1.0
147.08084	1.7
147.11708	4.7
149.09634	2.6
149.13271	15.9
151.11234	0.7
157.10114	6.1
159.11726	6.2
165.12787	1.3
175.11189	5.1
177.12769	2.8
193.12263	12.2
193.13896	0.9
195.13812	3.3
211.13290	0.8
249.14940	1.1
267.15939	48.2
269.17496	51.8
270.17935	0.9
354.59879	0.5
417.26517	1.4
435.27472	4.7
443.28079	1.2
461.29037	100.0
462.29489	3.6
479.30090	3.3
503.29895	1.9
569.31000	0.6
700.69373	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	9.3
54.75747	1.5
55.01872	11.7
55.05268	3.1
55.05516	40.6
57.03448	21.1
57.07079	2.1
59.05005	2.1
61.02931	9.4
62.13165	1.4
62.77670	1.7
65.03947	4.4
67.05511	76.5
69.03449	9.9
69.07079	21.0
69.33944	11.3
69.34348	2.6
71.01366	4.7
71.04995	12.1
73.02930	4.1
73.06558	2.1
79.05502	71.4
81.03426	100.0
81.07069	75.5
83.04995	43.2
83.08631	31.4
85.02438	2.6
85.02914	34.7
85.06553	9.1
91.03978	3.8
91.05489	69.5
93.07056	52.7
95.04983	43.9
95.08614	31.1
97.02899	17.6
97.06533	12.8
97.10175	12.3
98.20766	3.7
99.04459	2.5
99.08123	4.2
105.07048	39.7
107.04962	40.5
107.07951	3.0
107.08610	26.1
109.02879	2.1
109.06541	8.7
109.10171	26.1
109.10849	2.8
111.04456	12.0
111.08076	15.3
113.06028	3.5
115.05464	3.4
117.07055	12.0
119.08591	33.7
121.06531	6.9
121.10153	22.4
121.33344	1.6
123.04433	1.8
123.08067	4.7
123.11716	3.8
125.05989	2.1
125.09633	11.8
127.03916	3.0
128.06288	2.6
129.05505	2.9
129.07016	19.0
130.07835	2.5
131.08598	20.7
133.06473	4.1
133.10147	26.8
135.08047	4.7
135.11685	17.9
137.09633	5.7
142.07841	2.7
145.10129	23.1
147.08023	8.1
147.11699	21.2
149.09598	12.7
149.13206	3.2
153.12767	20.5
155.08539	4.5
155.10738	2.0
157.10146	17.8
159.11705	3.8
161.09599	1.9
163.11205	41.1
165.12808	3.6
165.99869	1.9
166.71289	1.7
173.09637	10.2
173.11749	9.2
175.11182	22.1
181.12238	17.1
191.10684	18.3
193.12271	69.2
199.13269	6.4
209.11740	22.9
211.13319	63.1
219.13547	1.9
227.12807	34.0
229.14400	16.3
243.16084	2.5
247.13412	3.1
249.15079	2.2
255.15910	2.8
265.14374	16.7
267.15948	43.9
275.20215	4.7
277.14188	2.2
283.15448	33.2
285.16977	47.1
301.16479	6.3
349.23782	26.9
355.22229	1.8
363.87671	2.0
383.22119	2.9
401.23187	2.1
409.26022	4.3
421.25931	17.3
427.27530	2.0
435.27429	4.6
439.26950	39.7
447.27322	3.3
453.28500	9.2
457.25745	3.8
459.27756	2.0
461.29141	16.7
475.26926	7.5
477.28458	2.5
479.30167	11.3
493.27948	22.6
511.28397	6.6
511.32867	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	707.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.6
55.01878	9.3
55.05520	28.8
57.03449	12.1
57.07077	5.5
67.05515	68.1
69.03432	20.4
69.07089	18.3
70.20314	8.5
71.04992	9.1
79.05497	53.0
81.03428	100.0
81.07069	66.7
83.04982	37.6
83.08640	26.8
84.71092	2.3
85.02918	14.6
85.06533	3.1
87.04488	16.9
88.04803	3.3
91.05495	41.2
91.36632	2.1
93.07050	49.7
95.04984	26.9
95.08619	45.2
97.02895	16.8
97.06538	9.0
97.10182	7.0
98.21429	3.0
99.04460	3.6
105.07038	32.8
107.04956	8.5
107.08609	31.4
109.02909	11.5
109.06535	7.2
109.10176	22.7
111.04462	14.5
111.08085	10.2
114.78932	2.4
117.07021	12.8
118.58186	2.1
119.08608	29.2
121.06521	4.3
121.10163	21.9
121.18274	2.0
123.08058	7.1
123.11716	9.2
125.09618	3.1
127.03924	8.5
128.06190	3.3
129.05499	6.5
129.07008	13.0
131.08585	25.9
133.06609	3.5
133.10146	22.7
135.08104	2.5
135.11707	14.3
137.09662	5.2
141.06949	4.0
142.07809	4.1
143.08553	7.2
145.06447	2.3
145.10146	13.2
147.08029	6.1
147.11711	25.0
149.09627	7.9
149.13275	6.5
153.12730	5.5
157.10135	19.4
159.11687	11.4
161.13280	6.3
163.11186	7.3
163.14786	2.4
165.12737	5.3
169.10130	5.5
171.11694	6.5
173.09558	3.1
173.13251	8.2
175.11191	15.3
177.12793	2.6
181.12245	5.7
183.11757	3.6
184.07289	3.2
184.82986	2.2
185.13301	4.6
187.11288	2.9
187.14868	3.5
191.10751	5.4
193.12262	35.7
211.13303	59.0
211.15292	3.2
213.12785	2.5
227.12823	7.4
229.14471	4.2
261.22195	7.0
267.15976	17.6
268.99771	2.2
283.15515	7.0
285.17068	21.8
301.21686	3.1
303.23135	3.4
311.20438	2.3
317.24762	3.9
335.25842	29.1
337.27496	9.1
351.23166	5.0
355.17834	3.8
369.24344	7.7
387.25272	5.2
405.26212	4.0
429.21323	16.0
443.28076	5.7
461.28979	3.1
479.30420	3.0
527.37396	12.3
545.30493	3.7
545.38464	54.7
653.40735	12.8
671.41498	10.5
685.06042	2.6
689.42505	30.7
707.43719	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	707.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.9
53.03949	11.4
55.01876	9.2
55.05512	40.0
57.03442	18.0
57.03717	1.9
57.07077	1.6
59.05011	2.4
61.02917	1.4
65.03648	1.0
65.03933	6.4
67.05508	87.2
69.03432	22.1
69.07070	24.9
69.76899	5.7
71.04989	11.9
73.02921	2.4
74.10118	1.2
77.03893	1.3
79.05495	73.0
81.03423	100.0
81.07061	82.2
82.03735	1.2
83.04982	38.8
83.08623	32.3
85.02431	0.9
85.02910	21.5
85.06539	4.7
91.04902	2.6
91.05484	58.3
93.07047	67.7
95.04972	33.6
95.08614	54.3
97.02901	25.0
97.06533	8.5
97.10180	10.8
99.04452	6.1
99.08080	3.8
103.03928	2.2
103.05460	1.6
105.04535	2.7
105.07040	43.2
107.04942	8.1
107.08598	33.7
109.02884	12.0
109.06525	7.0
109.10157	21.7
111.04458	15.5
111.08090	14.1
113.06020	2.6
113.08191	1.0
115.05454	3.4
117.07033	12.5
119.05103	1.3
119.08591	38.0
121.06498	4.2
121.09315	1.0
121.10146	30.6
123.08121	5.1
123.11730	7.7
125.09637	4.7
125.10515	1.1
127.03931	10.7
128.06268	2.3
129.05501	9.1
129.06992	13.7
131.04924	1.5
131.08568	25.0
133.06511	5.3
133.08586	1.5
133.10141	22.4
135.08051	2.4
135.11681	17.3
137.09616	3.1
137.13237	1.7
141.06969	1.9
142.07813	2.6
143.08588	5.6
145.06491	1.7
145.10141	15.4
147.08034	4.6
147.11688	28.7
147.12807	2.1
149.09644	7.3
149.13303	7.3
151.11208	1.9
153.12749	3.9
155.08559	3.3
157.10129	18.4
159.08069	2.5
159.11720	10.1
161.09578	2.4
161.13257	7.0
163.11211	9.6
163.14836	3.0
165.05589	1.2
165.06982	1.2
165.12769	4.4
167.08556	1.3
169.10126	2.3
171.08145	1.1
171.11726	4.3
173.04553	1.4
173.09650	3.9
173.13232	6.8
175.11198	14.3
175.14856	3.2
177.12695	1.6
181.10184	1.6
181.12285	6.1
183.11719	3.3
184.07365	3.3
185.13251	2.4
186.13966	1.1
187.11224	1.7
187.14810	2.9
189.12784	1.7
189.16426	1.5
191.10693	3.9
193.12254	47.4
195.11850	2.5
197.13191	2.6
199.14911	2.7
203.14429	1.5
204.38371	1.4
209.04536	1.1
209.11745	3.0
209.13470	1.3
211.13298	74.1
212.13759	1.1
215.14279	1.1
227.12755	9.4
229.14349	6.1
235.13304	1.3
235.16982	1.5
243.21040	2.1
249.14890	2.2
259.20685	2.6
261.22171	10.7
266.10641	1.1
267.13239	0.7
267.15927	18.8
273.22113	1.1
273.48764	1.0
277.21832	2.4
283.15424	4.7
285.16977	24.5
289.21594	1.8
301.21597	2.3
303.23175	2.6
317.24811	2.9
319.15332	2.3
327.23056	2.1
335.25812	67.5
337.16647	2.2
337.27600	5.8
341.24844	1.5
345.24069	1.2
346.30215	1.1
351.23218	3.1
353.25250	1.3
355.17450	4.7
369.24191	8.0
378.54092	1.1
387.25281	5.6
405.26715	2.2
411.20273	1.4
429.21231	15.9
435.32425	1.8
443.27618	2.9
453.33658	2.3
461.28836	3.2
471.34875	1.4
479.30273	2.4
527.37378	16.0
545.38361	70.8
546.38690	2.4
561.37048	1.7
615.38831	1.4
635.39343	3.1
653.40247	3.9
671.41101	4.9
689.42615	30.8
690.42682	1.3
707.43091	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	707.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.2
53.03944	9.9
55.01862	6.6
55.05511	34.4
57.03435	21.0
57.07065	3.7
57.32338	1.4
65.03938	5.1
67.05505	81.7
69.03436	22.6
69.07068	23.1
69.16427	15.9
71.04979	8.3
71.08652	1.7
73.02924	2.6
77.03924	2.4
79.05493	62.3
81.03420	100.0
81.07060	83.7
83.04989	35.8
83.08619	29.0
85.02906	24.2
85.06540	3.9
91.03961	1.7
91.05486	54.9
93.07047	63.5
95.04972	31.7
95.08609	56.4
96.95304	1.6
97.02897	19.9
97.06522	10.1
97.10155	8.1
98.21521	3.5
99.04461	4.2
99.08114	2.0
101.02360	1.8
105.07035	40.2
107.04973	8.4
107.08597	33.8
109.02882	8.8
109.06543	7.6
109.10155	19.2
111.04454	15.8
111.08086	14.8
113.06001	3.8
115.05435	2.1
117.07005	12.7
119.08588	29.0
121.06519	4.7
121.10141	31.4
123.04425	2.1
123.08077	5.3
123.11718	8.5
125.09657	3.7
127.03911	11.1
128.06213	3.3
129.05508	10.4
129.06995	14.1
131.04878	1.7
131.08574	24.2
133.06529	4.8
133.10133	17.8
135.08049	1.9
135.11691	17.5
137.09587	3.5
142.07750	2.1
143.08566	6.3
145.10123	14.8
147.08054	5.0
147.11684	23.8
149.09631	5.8
149.13277	6.5
151.11182	2.2
153.12752	3.2
155.08485	4.0
157.10144	11.7
159.11667	10.9
161.09554	2.2
161.13280	6.2
162.13646	2.3
163.11163	8.3
163.14798	2.4
163.19301	1.5
165.06906	1.6
165.12788	5.4
167.08553	1.6
169.10126	3.9
171.11708	4.4
173.09691	3.0
173.13280	6.0
175.11177	14.9
181.12195	7.2
183.11627	3.2
185.13283	3.6
187.14803	3.4
191.10666	7.1
193.10449	2.4
193.12245	51.2
197.13353	3.0
209.11650	2.2
211.13289	63.8
212.13777	1.7
221.13141	2.0
227.12779	7.0
229.14384	5.8
233.22977	1.5
243.21161	2.9
249.14862	2.2
259.20657	2.6
261.22086	11.0
267.15955	16.4
275.20279	1.9
277.21649	1.8
283.15427	5.1
285.16928	25.6
301.25220	1.7
309.22086	2.0
317.24918	2.6
319.22656	1.8
335.25818	69.7
337.16696	3.0
337.27402	5.2
355.17426	5.6
369.24228	5.1
387.25214	3.2
405.26300	2.9
411.20230	2.3
429.21289	18.5
443.27643	3.7
461.28934	2.9
479.29749	2.9
527.37427	14.0
545.38385	79.9
546.38831	1.9
563.39313	2.6
643.73224	2.0
653.39960	5.2
671.41455	4.4
689.42542	33.6
690.42249	2.2
707.43158	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	707.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.0
55.01875	9.2
55.05280	2.3
55.05517	31.8
57.03442	14.6
57.07063	3.5
65.03938	3.6
65.32391	1.4
67.05508	71.8
69.03433	20.6
69.07076	21.0
70.66745	1.5
71.04999	9.4
71.11724	2.6
73.02917	3.0
79.05499	49.7
81.03423	100.0
81.07061	73.5
83.04984	36.1
83.08623	32.2
85.02913	19.1
85.06522	4.0
88.21836	1.5
91.05488	51.5
93.06480	3.1
93.07049	50.6
95.04977	30.1
95.08611	38.5
97.02905	17.4
97.06531	9.1
97.10201	9.2
97.10705	1.9
98.66581	1.9
99.04444	3.9
99.08100	2.7
101.02296	1.7
103.05453	2.8
105.04462	1.7
105.07033	38.3
107.04939	6.7
107.08598	29.2
108.39217	1.6
109.02867	12.7
109.06537	9.2
109.10167	23.5
111.04442	16.0
111.08108	11.4
117.07010	11.2
119.07818	2.3
119.08598	32.6
121.06536	6.9
121.10142	20.4
123.08065	5.0
123.11700	9.6
125.09620	4.5
127.03941	10.2
129.05499	8.3
129.07004	13.3
131.04849	2.0
131.08578	24.7
133.06462	3.6
133.10156	20.2
135.04456	1.7
135.11681	16.1
137.05986	2.5
137.09610	4.3
141.06984	2.1
141.71021	1.7
142.07768	3.9
143.08565	7.9
145.06473	2.3
145.10133	13.3
147.08031	3.9
147.11685	23.5
149.09648	8.8
149.13210	4.8
151.11143	2.3
153.12730	5.1
155.08559	4.1
157.10135	15.1
158.59319	1.7
159.08107	2.1
159.11707	8.6
161.09665	2.2
161.13269	6.7
163.11179	7.1
163.14801	2.0
165.12743	4.7
169.10123	3.2
171.07950	2.0
171.11684	7.0
173.09653	3.5
173.13269	7.7
175.11215	13.6
175.14815	4.0
181.10422	1.9
181.12175	5.7
183.11710	3.7
185.13272	3.9
187.11226	3.4
187.14818	2.2
191.10678	7.6
193.12256	42.3
195.11719	1.8
197.13269	2.5
199.14803	2.5
205.12387	1.8
209.11577	3.1
209.13336	2.1
211.13289	57.9
211.15268	2.9
227.12791	11.3
229.14331	5.4
243.21016	3.6
249.14777	2.4
259.20615	2.6
261.22214	10.1
267.15863	15.9
277.21616	3.9
283.15372	6.0
283.20499	1.9
285.16925	23.8
289.21780	1.9
301.21622	2.7
311.55966	1.9
317.24689	1.7
319.22714	2.8
327.23209	2.4
335.25815	30.8
337.27310	6.6
341.24655	3.7
351.23230	5.0
355.17395	5.4
359.25940	2.2
369.24271	8.9
387.25110	5.4
405.26208	2.6
411.20041	2.4
427.19672	2.4
429.21304	13.0
443.27847	4.2
453.33743	2.9
461.28778	5.8
479.30515	3.1
527.37286	13.8
545.38422	55.6
546.38354	2.8
561.37354	2.7
569.38531	2.6
594.29919	1.8
599.37921	1.9
635.39886	2.4
649.30817	1.9
653.40686	11.2
671.42126	8.3
689.42499	29.5
707.43048	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	707.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68656	0.3
57.03440	0.5
69.03404	0.5
71.52360	0.4
73.02908	0.3
81.55476	0.3
82.99811	1.4
85.02882	0.7
94.99846	0.3
97.02869	0.7
99.68564	0.3
101.00877	6.0
105.25478	0.3
113.00871	1.3
119.01939	7.8
121.51269	0.3
122.01431	1.5
127.02467	1.7
127.03907	0.4
128.01379	0.3
131.01929	3.9
137.01939	1.8
137.02827	0.5
138.01669	0.3
139.02422	0.8
143.01909	20.0
145.03477	6.5
145.04533	0.2
146.08081	0.4
147.01393	0.3
149.01880	0.5
152.02412	0.6
153.03908	0.4
155.01897	10.4
157.03445	3.1
158.02496	0.5
160.32391	0.3
161.02966	12.2
163.04526	0.6
164.02437	0.5
167.01903	9.2
167.03297	0.5
169.03484	2.8
169.94135	0.3
171.01274	0.5
171.05026	2.1
173.02980	12.5
173.53006	0.8
175.04562	0.4
176.02562	0.3
179.01828	3.4
181.03448	0.5
185.02963	30.3
187.04565	2.9
191.03987	0.5
193.00171	0.3
194.03441	0.4
197.02969	12.3
199.04520	0.7
203.03938	8.0
208.04495	0.4
209.02979	1.3
215.02084	0.6
215.04027	7.7
221.05026	0.8
224.04550	0.8
227.04027	8.4
239.04007	0.8
245.05084	100.0
246.05278	1.8
254.05510	0.4
257.02567	0.5
257.05072	5.0
263.03329	0.6
263.06134	12.0
264.06198	0.3
275.06122	12.2
283.06784	0.5
284.06635	2.7
284.56772	0.7
287.06146	0.5
293.07190	2.6
305.07190	11.9
317.07239	0.5
329.07312	0.3
335.08344	3.3
347.08237	0.9
362.59872	0.5
364.09436	1.1
364.59586	1.1
365.09335	43.8
365.59409	1.0
366.09610	1.1
383.10257	1.2
407.10297	0.9
425.11435	39.3
426.11755	0.9
437.11407	2.6
454.21259	0.4
455.12463	3.5
485.13364	1.5
568.36292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58546	0.1
55.05506	0.3
56.05039	0.8
57.07069	0.2
58.06627	0.5
59.07383	0.1
60.08167	6.2
67.05512	0.7
69.03446	0.1
69.07062	0.1
69.95037	0.4
70.06602	0.2
71.07381	3.5
71.08627	0.2
79.05489	0.3
81.03425	0.4
81.07059	0.6
83.04988	0.1
83.08640	0.2
85.02871	0.1
85.10202	0.1
86.09710	31.7
87.04470	0.8
91.05494	0.4
93.07044	0.3
95.04958	0.2
95.08630	0.4
97.06580	0.1
97.10120	0.1
98.98470	3.0
104.10755	2.4
105.07034	0.3
107.08588	0.2
109.10182	0.2
117.07029	0.2
119.08579	0.2
121.10165	0.1
125.00011	20.8
131.08568	0.2
133.10150	0.1
143.01076	0.2
145.10089	0.1
147.11693	0.2
151.11186	0.1
157.10077	0.1
159.11737	0.1
166.02646	0.1
177.19476	0.1
184.07349	100.0
185.07666	0.4
193.12233	0.2
204.09354	0.1
211.13379	0.1
291.25476	0.1
335.25772	0.2
476.21454	0.1
496.34082	0.3
545.38312	0.2
609.26447	0.2
688.43884	0.1
689.42419	0.1
706.46631	9.9
707.47321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
53.10482	0.7
55.01875	1.9
55.05513	12.0
55.37206	0.7
57.03439	12.1
59.05027	0.9
65.03925	1.1
67.05186	1.4
67.05512	15.7
69.03416	3.2
69.07066	4.6
69.15997	2.0
69.16417	6.4
71.04989	2.8
79.05499	17.0
81.03423	83.7
81.06588	1.3
81.07055	19.2
83.04985	11.5
83.08150	1.3
83.08620	18.7
85.02914	12.9
85.03963	0.8
85.06551	1.6
88.51137	0.7
91.05487	22.0
93.07043	12.0
93.63687	0.7
95.04973	27.1
95.08598	8.2
97.02886	2.3
97.06512	2.6
97.10159	5.2
101.00475	0.8
105.07036	16.6
106.77673	0.8
107.04965	7.1
107.08597	5.4
107.34079	0.8
109.06535	3.9
109.10164	3.0
111.04440	2.9
111.08080	8.1
115.05415	2.4
117.07009	2.2
119.08582	16.3
121.06508	4.7
121.10153	7.5
123.04585	0.7
123.08049	3.1
123.11716	2.1
125.09664	3.8
129.06165	1.2
129.07013	10.8
131.04893	1.2
131.08569	11.2
133.06483	4.1
133.10132	7.7
135.08063	1.1
135.11678	1.1
137.09615	1.7
142.07750	3.1
143.08585	1.5
145.06490	3.3
145.10110	2.2
147.08113	4.0
147.11685	11.2
149.09631	6.5
155.08530	1.1
157.10126	11.9
159.11670	1.1
161.44002	0.8
163.11111	1.6
165.12730	2.9
175.11205	13.7
176.30400	0.9
185.09654	0.7
189.98662	0.8
193.12250	31.4
211.11320	1.5
211.13292	15.9
215.14229	0.9
229.14319	1.1
231.13773	1.2
233.15364	0.9
237.12549	0.8
249.14890	2.8
255.13770	1.9
267.15930	100.0
268.16245	1.8
268.47070	0.9
268.65494	0.8
273.14850	3.3
277.17972	0.9
285.16992	18.4
323.19046	1.0
339.23254	1.1
341.21365	1.2
349.21524	2.5
367.22723	9.3
385.23770	9.2
403.24783	2.5
405.23911	1.1
433.25922	12.2
441.26563	6.6
459.27460	74.7
460.27579	2.6
477.28497	46.7
477.33563	0.6
477.35577	1.3
478.28668	1.0
491.30157	1.0
536.97186	0.9
604.77673	0.9
706.40521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31932	1.1
53.03936	4.9
55.01860	4.4
55.05513	18.3
57.03450	7.0
57.07063	1.7
58.49809	1.2
59.05008	1.4
61.02943	8.7
65.01801	1.1
65.03920	1.3
67.05186	2.1
67.05510	28.8
69.03429	10.6
69.07079	8.8
70.77537	1.9
71.04988	5.2
73.02908	4.2
77.03874	1.5
79.05500	22.9
81.03421	29.1
81.06598	1.9
81.07061	29.8
83.04980	6.8
83.08625	11.3
85.02522	1.1
85.02917	13.0
85.06557	2.2
91.03926	3.3
91.05485	25.8
93.07048	23.9
95.00761	1.2
95.04972	11.8
95.08623	17.9
95.78670	1.1
97.02907	12.7
97.06518	3.6
97.10187	9.5
99.04485	2.0
99.08107	1.3
101.02365	1.8
103.05490	1.9
105.07038	23.3
107.04939	4.8
107.08602	14.1
109.02851	3.1
109.06490	2.8
109.10143	7.6
111.04430	2.3
111.08072	5.1
115.05466	2.5
117.07018	12.0
119.08582	19.1
121.06506	4.5
121.10144	10.0
123.08091	3.0
123.11749	2.6
125.09611	5.2
127.03906	4.5
128.06218	3.5
129.06996	13.6
131.08569	18.7
133.06468	1.7
133.10139	13.3
134.94151	1.3
135.08067	2.2
135.11752	5.6
137.09618	1.8
141.06976	4.1
142.07784	2.5
143.08574	10.0
145.06442	1.7
145.10127	14.5
147.08034	3.0
147.11671	12.5
149.09581	2.7
149.13232	3.5
151.11154	1.9
153.12746	1.6
155.08604	6.0
155.67590	1.1
157.06454	1.7
157.10144	13.7
159.08072	3.5
159.11687	12.5
161.09540	2.0
161.13261	4.5
163.11220	2.7
165.12769	1.5
167.08560	3.2
169.10120	8.6
171.08035	1.7
171.11662	9.0
173.04514	2.1
173.09665	3.2
173.13235	6.7
175.11194	3.8
175.14841	1.7
179.08641	1.4
181.10083	5.3
181.12231	1.9
181.82396	1.2
183.11646	7.1
185.09628	2.9
185.13257	6.4
187.11212	1.4
187.14777	3.8
189.11154	1.4
189.12762	1.4
191.10699	1.3
193.10251	2.4
193.12250	7.5
195.11731	6.2
195.13496	1.2
197.13319	5.8
199.11224	2.0
199.14842	4.3
201.12781	1.5
207.11620	1.8
209.13329	3.0
211.11266	1.8
211.13271	10.5
211.14864	1.6
213.12706	2.2
215.14246	1.4
219.11700	1.4
221.13226	2.1
223.14760	2.6
225.12897	1.8
227.12790	4.5
229.14265	2.3
229.19461	1.7
239.14391	1.4
241.15710	1.8
241.19489	5.0
259.20676	8.0
261.22107	1.3
267.15900	2.5
271.20728	1.2
275.20059	2.7
283.20596	2.7
285.17023	5.1
295.16916	1.5
295.20535	1.3
297.22122	2.1
299.23694	3.9
311.19852	1.6
313.21680	2.3
313.25143	1.3
325.17871	1.2
325.21527	2.0
333.24252	9.1
337.21683	1.5
339.23096	2.3
343.22485	1.4
353.24417	2.1
357.24231	1.9
367.22635	2.6
375.25333	1.2
385.23654	1.4
421.26053	2.3
423.32532	1.4
429.21191	3.3
433.30902	4.1
435.27335	2.2
439.30417	1.3
451.32053	7.1
469.32925	4.7
507.34698	2.3
525.35809	24.8
526.35834	1.6
541.34674	2.0
543.36853	100.0
544.37134	3.4
567.36664	1.6
577.59625	1.3
633.37836	1.5
651.38916	6.6
669.39246	4.4
675.55865	1.2
687.40619	11.0
705.42114	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	705.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
55.01872	5.7
55.05273	1.7
55.05517	21.2
57.03446	8.4
57.07057	2.1
61.02929	7.9
65.03934	3.7
67.05511	39.7
69.03433	16.4
69.06734	1.1
69.07076	13.9
69.76764	1.0
71.04993	7.0
71.70558	1.0
73.02901	4.2
75.11318	0.9
75.48626	0.9
79.05501	36.8
81.03426	42.1
81.06598	1.8
81.07067	36.7
82.07385	1.1
83.04991	13.6
83.08624	12.7
83.16984	1.0
85.02914	15.8
85.06540	3.6
91.03940	4.4
91.05492	40.3
93.07050	35.6
95.04976	14.6
95.08615	20.0
97.02905	14.8
97.06541	5.8
97.10177	7.8
98.21504	3.4
99.04455	3.3
101.02357	1.5
103.05430	1.3
105.04549	1.8
105.07042	33.0
107.04979	6.6
107.08598	19.8
109.02887	6.2
109.06508	4.8
109.10161	12.5
109.92150	0.9
111.04432	6.6
111.08074	5.1
113.06019	1.3
115.05515	1.2
117.07034	14.7
119.04979	1.1
119.08588	28.2
121.06525	5.1
121.10139	14.9
123.08089	2.4
123.11697	3.2
124.79962	1.1
125.06023	1.4
125.09648	7.6
127.03976	5.6
128.06200	3.5
129.05475	3.7
129.07018	13.9
131.04961	1.3
131.07599	1.5
131.08571	24.8
133.06485	2.7
133.10147	20.4
135.08011	2.8
135.11714	9.1
137.06009	1.6
137.09612	2.5
137.13124	1.1
138.19673	1.0
141.06972	5.1
142.07756	2.9
143.08565	13.9
145.06465	2.9
145.09081	1.3
145.10146	17.7
147.08032	3.3
147.11694	16.5
149.09645	6.1
149.13258	3.9
153.06985	1.5
153.12711	3.0
154.07784	1.4
155.08545	8.7
156.09320	1.1
157.06500	1.5
157.10130	16.3
159.08041	3.6
159.11720	12.5
161.09683	2.3
161.13272	10.2
163.11185	5.3
163.14830	2.0
165.06895	1.1
165.09189	1.0
165.12759	2.7
166.07788	0.9
167.08592	4.3
169.10107	6.6
171.08032	2.6
171.10268	1.8
171.11685	10.2
173.04463	3.6
173.05913	1.0
173.09630	3.3
173.13264	7.4
175.11186	4.2
175.14821	3.6
179.08572	1.9
181.10132	6.0
181.12187	2.3
183.11716	7.4
185.09601	3.1
185.12086	0.9
185.13286	8.8
187.11166	2.6
187.14787	3.1
189.11240	2.0
189.12778	1.6
191.10681	3.8
193.10301	2.1
193.12241	13.3
195.11742	5.4
197.09657	1.6
197.13255	5.4
199.14786	4.5
201.12679	2.0
207.11644	2.1
209.09604	1.7
209.11508	1.4
209.13254	3.9
211.11311	1.5
211.13213	16.1
211.14922	2.2
213.16428	2.4
215.14275	1.4
221.13310	2.3
223.14926	2.4
225.12621	1.2
225.16446	1.7
227.10814	1.3
227.12627	6.1
229.14322	2.2
229.30782	1.3
231.21088	1.6
233.13292	1.3
235.14914	1.4
237.12659	1.8
239.14276	1.4
239.18054	1.2
241.15834	1.4
241.19562	6.8
257.18829	1.4
259.20584	16.1
261.22345	1.5
267.15921	5.0
269.22351	0.9
271.20599	1.4
275.20056	2.4
277.19476	1.5
283.15482	2.1
283.20496	3.0
285.16931	7.1
297.22214	2.7
299.20306	1.7
299.23703	4.6
301.21539	2.6
313.21658	1.2
315.19772	1.3
315.23096	3.1
323.23471	1.6
325.21545	2.7
327.23325	1.1
329.21231	1.4
333.24289	13.0
335.25699	2.8
337.16647	1.0
339.23132	3.1
339.34085	1.0
349.21252	1.8
351.23422	1.2
355.17517	0.9
355.22397	1.1
357.24142	2.4
367.22656	3.5
385.23721	2.8
403.24646	2.2
415.29889	1.5
417.26364	1.3
421.25668	3.1
423.32431	1.9
429.21246	5.8
433.31061	4.0
435.27371	2.4
441.26529	1.3
449.29376	1.3
451.32031	7.0
459.27255	2.7
469.32959	3.9
477.28690	1.4
487.34528	1.1
499.34238	1.6
507.34561	2.5
512.08630	1.1
515.36542	1.4
525.35754	26.4
541.35016	2.1
543.36823	100.0
544.36896	2.1
555.36505	1.3
561.37561	1.5
567.36780	1.6
585.37701	3.0
609.38202	1.5
613.37531	1.3
633.37598	3.7
639.39166	1.3
651.38873	8.3
669.40204	7.6
687.29633	1.6
687.40967	16.9
705.42035	20.9
706.43018	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78557	0.6
53.03944	2.9
53.06317	0.7
53.11405	0.7
54.76810	0.7
55.01877	4.0
55.05268	1.1
55.05513	13.9
57.03448	5.7
57.07071	0.7
57.64371	0.7
61.02929	9.1
65.03937	1.6
67.05510	25.8
69.03433	8.0
69.07072	7.9
70.77665	1.5
70.78045	1.5
71.01342	1.5
71.04990	3.2
73.02934	4.9
79.05074	1.4
79.05501	20.0
81.03423	21.1
81.07062	23.7
83.04993	6.8
83.08619	10.5
85.02908	10.1
85.06541	2.1
87.04515	0.7
91.03962	3.4
91.05488	19.3
92.05811	0.7
93.07049	15.9
95.04978	10.4
95.08607	13.2
97.02900	9.2
97.06541	3.5
97.10172	7.7
97.89958	0.6
99.04465	1.5
101.02378	1.1
105.04533	0.9
105.07036	18.1
107.04959	4.3
107.08605	13.8
109.02898	2.9
109.06519	3.7
109.10154	8.9
111.04429	2.3
111.08111	3.8
115.05438	1.7
117.07033	9.2
119.08593	11.6
121.06477	3.4
121.10136	7.0
123.04472	0.7
123.08073	2.7
123.11699	2.5
125.09627	5.6
127.03917	3.3
128.06253	1.7
129.05505	1.7
129.07007	9.9
131.04919	1.0
131.08574	14.3
133.06476	1.7
133.10135	10.5
135.08081	4.7
135.11696	3.3
137.08614	0.8
137.09628	1.7
139.11134	0.9
141.06964	3.4
142.07767	2.0
143.08592	8.2
145.05370	0.7
145.06436	3.5
145.10114	12.7
147.08061	2.9
147.11696	7.3
149.09659	4.0
149.13232	1.7
151.11171	0.9
153.09160	2.0
153.12698	1.0
155.08549	4.6
157.06500	1.1
157.10138	8.6
158.07196	0.8
159.08078	2.7
159.11699	8.0
161.09625	1.7
161.13239	3.5
163.11200	3.2
163.14919	0.9
165.12834	0.7
167.08528	3.4
168.09232	1.0
169.10101	6.0
171.08072	2.4
171.11653	7.1
173.04489	1.4
173.09659	2.5
173.11969	0.9
173.13269	4.4
175.11200	3.2
175.14873	2.0
177.12823	1.0
179.08528	1.1
181.10168	2.9
181.12262	1.1
183.07986	0.9
183.11700	6.0
185.09685	2.6
185.13220	4.8
187.11159	2.9
187.13252	1.2
187.14816	2.7
189.11258	3.1
193.12279	5.9
195.11667	2.7
197.13278	4.4
199.11247	1.2
199.14893	2.8
201.12639	1.2
201.16502	1.1
207.11708	1.6
209.13313	3.1
211.11331	1.1
211.13306	6.0
211.14981	1.2
213.12773	1.1
213.16458	0.9
215.14336	1.4
221.13417	1.2
223.14890	1.5
225.12798	1.4
225.16443	1.5
227.12666	5.1
229.14307	1.8
233.13278	1.1
233.15434	1.7
237.12862	0.8
237.16473	1.1
241.19542	1.5
243.16026	1.7
249.14937	0.9
259.20535	4.9
267.15793	5.1
271.20770	0.8
275.20065	2.2
277.21783	0.9
281.22647	0.7
283.20569	1.9
285.16998	1.8
297.22226	1.2
299.20154	1.7
299.23776	5.3
301.21811	1.0
311.20142	1.1
313.21643	1.6
315.23135	1.1
317.20911	0.8
321.22003	0.9
329.21286	1.0
333.24313	3.1
339.23383	1.3
343.22531	1.9
355.17471	1.0
357.24301	2.2
367.22974	1.2
385.23752	1.0
403.24670	2.0
407.24628	0.9
415.30136	1.1
417.26456	1.8
421.25809	7.0
423.32654	1.2
429.21228	2.0
433.31290	5.1
435.27328	3.7
441.26624	0.9
451.32028	7.7
459.27502	2.6
469.33121	2.6
477.28448	3.6
487.33539	0.8
490.32831	0.9
507.34708	1.3
515.36713	1.0
525.35785	20.6
541.34607	1.7
543.36853	100.0
544.37201	3.9
555.37079	1.0
561.37463	1.0
567.36700	1.8
585.38043	1.1
609.38312	1.7
633.37610	2.0
651.39014	4.1
669.39984	3.8
687.40991	6.9
688.40991	1.0
705.42102	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	703.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.05508	7.1
57.07064	2.0
65.03937	1.6
67.05510	15.1
69.03448	2.0
69.07082	6.5
70.68920	2.2
70.69257	1.3
71.04996	1.8
77.50807	1.0
79.05504	11.8
81.07062	21.7
83.04991	2.0
83.08604	2.0
91.05490	17.2
93.07052	20.5
95.04978	14.9
95.08617	22.8
97.06559	2.3
99.04467	2.8
105.07042	30.1
107.08605	25.6
109.06521	16.7
109.10172	15.0
111.08111	2.3
113.06024	3.3
115.05493	2.5
116.06304	1.1
117.07018	7.5
119.08590	30.3
121.06516	16.3
121.10153	15.4
123.08079	8.0
123.11720	6.4
128.06232	3.5
129.07013	4.4
130.07797	1.3
131.08586	16.0
133.06509	2.5
133.10146	17.4
135.08075	11.7
135.11688	8.1
137.09647	3.7
137.13274	2.3
137.24614	1.1
141.07014	2.5
142.07802	5.0
143.08563	13.4
144.09305	1.6
145.06497	1.4
145.10135	17.9
147.08090	8.6
147.11705	12.2
149.09651	6.1
149.13223	5.4
151.07553	1.3
153.07114	1.5
155.07297	1.8
155.08583	6.5
156.09367	4.0
157.10153	16.3
158.10938	1.6
159.08035	5.5
159.11711	15.4
161.09618	11.4
161.13246	6.5
163.11201	2.0
163.14841	2.7
165.07056	1.4
165.09167	2.5
167.08591	1.4
168.09427	2.1
169.10117	7.8
170.11003	1.3
171.08078	1.5
171.11681	13.2
173.09694	4.5
173.13284	11.7
175.11185	6.4
175.14890	4.2
177.12875	1.6
181.10156	3.6
182.10880	1.9
183.11699	9.7
185.09673	3.7
185.13283	8.9
187.11179	7.7
187.14845	5.8
189.12784	4.1
189.16516	1.7
191.14342	1.7
193.10246	1.3
195.11768	3.9
196.12662	1.2
197.09740	1.4
197.13281	8.0
199.11229	3.2
199.14841	8.8
201.12758	6.3
201.16425	3.5
203.14383	4.0
207.11789	1.8
209.13322	3.8
211.11314	1.8
211.14847	6.3
213.12837	4.3
213.16434	3.9
215.14375	4.4
215.17967	1.6
217.16006	1.7
219.13840	1.7
221.13432	1.7
223.14903	3.0
225.12846	1.8
225.16351	4.7
227.14418	3.4
227.18040	3.5
229.15958	3.3
237.16512	2.5
239.14352	2.0
239.18036	2.9
241.15858	2.7
241.19554	1.6
243.17494	2.0
245.19049	2.4
249.16579	1.3
253.15877	1.7
253.19629	2.0
255.17624	1.9
255.21077	1.7
257.19003	2.4
259.17117	1.4
259.20575	1.3
265.19638	1.6
267.17505	1.6
267.21338	1.4
269.19141	1.1
269.22632	1.2
279.21042	1.4
281.19006	3.9
283.17337	1.1
283.20679	4.0
285.18695	1.7
285.22134	1.1
295.20673	1.1
297.22437	1.4
299.20157	2.2
301.21933	1.5
309.22086	1.7
323.23849	2.2
327.23291	1.4
335.23901	2.2
353.24857	2.3
363.27023	1.5
372.36157	1.0
413.26923	5.1
527.39050	1.6
547.39203	1.5
553.40308	2.1
565.40540	5.5
583.41693	13.2
601.42340	5.2
625.42969	5.8
643.43585	30.3
644.43463	1.7
685.44611	2.8
703.45721	100.0
704.46320	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	703.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.6
52.19308	1.4
52.70235	1.1
53.03950	11.1
55.01873	14.4
55.05515	37.7
57.03442	17.1
57.07069	2.0
57.47746	1.4
61.02918	4.2
65.03947	4.7
65.75757	1.4
67.05510	71.8
69.03432	28.1
69.07072	27.7
70.58588	1.6
70.58913	3.3
71.01360	2.7
71.04995	11.1
73.02894	2.8
79.05497	68.9
81.03423	100.0
81.07063	78.9
82.17052	1.2
83.04987	26.1
83.08619	27.1
85.02910	19.5
85.06540	3.8
91.05489	75.0
93.07050	55.9
93.07641	3.0
95.04968	30.2
95.08613	39.9
97.02896	23.8
97.06532	11.7
97.10166	12.4
98.21525	1.3
99.04450	7.6
99.08109	2.3
103.03938	3.0
103.05482	2.1
104.06242	1.5
105.07037	62.6
107.04967	18.4
107.08602	36.2
109.02901	17.3
109.06529	14.5
109.10156	19.5
111.04459	12.4
111.08072	7.6
113.06033	1.6
115.05479	6.1
117.07028	24.8
119.04969	3.4
119.08587	48.0
120.09340	1.6
121.06533	7.8
121.10157	22.8
123.04460	4.2
123.08071	5.3
123.11708	7.7
125.02377	1.5
125.09628	8.9
127.03933	13.7
128.06232	5.6
129.05493	3.5
129.07010	25.8
130.07825	3.3
131.04930	3.4
131.08586	38.2
133.06538	8.3
133.10136	35.5
133.11090	2.0
135.08061	9.5
135.11690	9.9
137.05965	2.1
137.09624	5.7
141.07002	5.4
142.07829	5.5
142.73950	1.4
143.08569	15.5
144.09422	1.3
145.06482	7.1
145.10144	35.7
147.04437	2.0
147.08052	8.7
147.11694	26.7
149.09648	16.0
149.13319	4.4
151.11230	6.0
153.06927	2.7
153.12822	2.3
154.07852	2.7
155.08566	8.8
156.09303	1.6
157.06454	1.7
157.10126	22.0
159.08067	6.9
159.11710	20.5
161.06046	2.4
161.09669	5.8
161.13235	6.5
163.11174	8.0
163.14833	1.7
165.05693	1.8
165.07069	2.3
165.12767	5.3
167.08644	5.9
169.10117	9.3
171.08081	3.6
171.11707	11.6
173.04497	13.8
173.05891	2.3
173.09641	5.8
173.11906	2.6
173.13190	8.0
175.07608	1.7
175.11200	13.6
177.12817	3.8
179.08578	3.6
179.14304	1.9
181.06580	1.4
181.10124	4.2
181.12314	1.6
183.06609	2.0
183.08194	3.2
183.11697	9.3
185.09686	3.7
185.13292	5.2
187.11234	3.0
187.14899	2.7
189.09198	1.8
189.11272	4.3
189.12866	2.0
191.10741	4.1
193.10355	2.7
193.12241	29.1
193.13858	2.0
195.11778	6.1
197.09732	2.6
197.13335	6.1
199.11217	4.4
199.13072	1.6
199.14886	2.9
201.12810	2.8
203.14412	2.2
207.11752	3.0
209.09778	1.7
209.11552	1.9
209.13359	4.1
211.11374	2.5
211.13264	30.6
213.12813	2.3
215.10696	1.8
219.11795	1.5
219.17500	1.5
221.13341	2.8
223.14946	2.3
225.12952	2.1
227.12744	6.7
229.12329	2.2
229.14400	2.5
229.19524	3.5
233.13359	1.9
235.13353	1.7
239.14319	2.1
239.18048	6.3
245.19099	1.6
247.16937	1.7
247.20605	3.3
257.19049	15.1
259.20728	2.2
267.15884	15.7
273.14963	3.0
273.18576	4.7
275.20087	43.4
283.15536	1.6
285.16910	10.3
293.21344	4.1
299.20139	2.6
301.14438	4.8
309.22095	1.6
311.19958	2.2
313.21725	2.7
319.15466	2.9
323.20044	2.0
329.21265	1.8
331.22607	6.6
337.16855	2.1
337.21628	2.1
339.23215	1.6
341.21344	2.5
343.22769	1.8
345.20734	1.6
349.23895	11.0
353.48303	1.6
355.17725	3.4
355.22742	2.5
359.71048	1.8
365.21097	2.1
371.22516	1.5
375.18161	2.0
383.22174	4.3
393.19229	1.7
401.23260	3.2
411.20041	6.5
419.24774	3.4
449.30612	3.7
457.25815	1.9
467.31720	2.0
475.26837	3.3
485.32639	2.7
513.35455	2.0
523.34180	7.6
539.33478	1.7
541.35297	47.6
541.43268	2.7
555.35321	1.4
559.36316	11.6
575.33972	1.8
583.36420	4.2
611.36194	2.2
625.37506	2.0
649.37292	3.9
667.38574	8.4
685.39569	18.1
703.40558	92.4
704.40656	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	702.442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
53.03939	2.7
55.05515	15.9
57.03437	12.2
57.07058	2.1
59.04995	3.8
61.02922	3.1
62.35087	1.2
65.03939	3.0
67.05508	100.0
68.57419	1.6
69.03420	2.9
69.07081	8.3
69.95175	3.8
70.06604	2.1
70.76515	1.3
71.04993	3.6
74.09717	2.1
79.05495	30.8
81.01965	1.6
81.03423	2.9
81.07060	33.0
83.04981	2.4
83.08620	8.1
85.02927	2.4
85.06530	4.8
88.07614	2.1
91.05483	36.3
93.06482	2.3
93.07045	33.9
95.04965	3.3
95.08609	22.3
97.02863	2.5
97.06521	1.6
97.10177	2.9
103.65890	1.5
105.04565	1.8
105.07028	35.2
106.07414	1.6
107.04986	2.3
107.08604	17.1
109.10162	73.6
111.08073	4.6
117.07022	9.9
117.50408	1.3
119.08582	34.3
121.10166	15.5
125.09628	2.7
129.06998	5.4
131.08574	15.4
133.10130	29.4
135.08044	1.8
135.11717	13.4
137.09584	5.2
143.08562	5.8
145.10112	10.8
147.11702	25.2
149.02350	2.3
149.13271	5.2
155.10649	4.6
157.10123	5.9
159.11688	12.4
161.09641	1.5
161.13263	20.2
163.14905	2.6
171.11668	7.9
173.11732	20.5
173.13268	8.4
175.14783	7.4
183.11655	2.0
185.13277	6.7
187.14804	1.6
189.11218	2.3
193.04999	2.0
199.14774	4.0
213.16530	1.7
227.12701	9.3
229.14357	88.5
231.20972	7.4
241.19557	26.5
247.13699	1.4
256.26434	2.7
259.20584	72.1
261.22232	3.0
315.23126	4.8
333.24237	53.9
333.28271	2.7
429.12106	1.7
487.34280	30.1
505.35269	34.9
540.37653	2.1
701.29498	1.6
702.38135	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	702.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45287	0.4
55.05499	1.2
57.07079	6.0
58.06608	2.4
65.03937	3.5
67.05489	1.9
69.03433	0.8
69.07057	1.3
69.22441	3.9
70.06204	0.9
70.06593	18.4
71.04996	0.5
71.08636	3.0
72.08145	0.4
73.02900	0.6
79.05486	1.6
81.03404	1.6
81.07048	1.7
83.08614	0.7
84.08145	1.0
85.10156	0.9
86.09696	1.2
88.07634	17.0
91.05468	1.3
93.07044	1.6
95.08604	0.7
97.02859	0.8
97.06521	0.6
102.09180	14.3
105.07038	0.7
107.08632	1.0
117.07028	0.8
119.08606	0.7
121.02875	1.7
121.10158	0.7
125.09586	0.5
129.06985	0.4
132.10220	1.8
133.02829	0.5
133.10150	0.9
139.03917	1.2
143.08563	0.7
145.10127	0.7
146.11760	2.3
147.04456	0.9
147.08148	0.5
147.11700	0.5
149.02351	57.0
149.03433	5.1
153.06978	0.5
175.03917	1.8
177.05473	0.7
193.04961	31.2
212.23741	1.0
219.06563	1.3
225.05478	0.6
237.07576	5.1
256.26355	43.5
257.26730	0.6
263.09280	1.0
297.03931	1.2
300.28940	7.7
313.07144	0.8
341.06540	4.4
359.07611	2.9
360.08258	0.5
385.09146	11.4
403.10263	10.0
403.15222	0.9
411.32898	0.5
429.11807	19.5
473.14456	10.5
498.36929	0.5
640.34991	1.1
684.38678	0.9
702.38446	100.0
703.38831	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	702.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
61.02917	0.7
62.20824	0.2
69.03421	0.8
69.58638	1.7
79.05463	0.4
81.03403	0.4
81.07030	0.3
85.02907	4.2
86.00407	0.3
91.05481	4.6
94.04201	0.4
95.04958	1.3
97.02905	1.4
103.05461	1.0
105.07020	0.9
107.04958	1.3
109.06519	0.8
115.05424	0.5
117.06976	0.3
119.04945	4.6
121.06490	1.3
122.03639	0.8
123.04373	0.4
123.08083	0.4
127.03898	0.8
128.06238	0.5
129.07013	3.3
131.04927	1.9
131.08572	0.3
133.06479	0.4
135.08049	1.4
136.05208	0.5
137.05975	23.7
139.07463	0.4
143.04916	0.5
145.04962	0.7
145.06461	0.7
146.03673	0.3
147.04370	0.3
147.08002	0.4
148.05165	0.3
149.05977	4.0
151.03938	0.9
151.07544	32.6
157.06490	3.3
158.45587	0.3
159.07994	0.3
161.05977	3.9
161.09601	1.3
163.03960	0.4
163.06157	0.5
163.07542	9.3
165.05638	0.3
165.06999	1.0
165.09128	1.8
167.07025	0.4
167.08527	2.8
174.06734	2.0
175.06485	0.2
175.07593	2.5
177.07654	0.3
177.09117	4.1
178.07724	0.5
179.08487	0.3
181.10144	0.4
182.07208	0.3
189.09119	11.3
193.06497	1.0
193.08510	0.4
193.10114	2.0
195.08040	6.0
203.08659	0.4
207.08287	0.5
207.10062	1.5
209.09616	0.9
210.06831	0.7
211.07497	0.7
212.08310	0.8
213.09279	0.3
215.07141	0.3
219.10060	0.4
221.06027	2.2
221.09624	2.6
221.11720	0.8
222.06660	0.4
223.07567	2.7
224.08260	1.1
225.05576	0.3
225.09039	2.6
227.10666	10.1
237.09129	0.9
238.06216	0.8
238.09920	0.6
239.07133	0.4
239.10617	0.6
240.07896	0.9
241.08572	0.3
241.12277	0.5
249.09030	1.6
252.07797	0.6
253.08623	4.1
253.12250	5.1
254.09430	0.5
255.10159	11.3
256.10703	0.5
266.09464	0.4
267.10239	2.0
269.08157	1.2
269.11703	0.7
270.08856	0.3
272.10489	1.0
281.11646	2.3
284.10385	0.5
285.11194	6.9
287.12772	17.2
288.12891	0.4
297.11145	0.7
299.12726	1.3
301.14343	0.6
311.12805	0.7
313.14337	13.2
314.14713	0.5
331.15396	100.0
332.15799	1.6
343.15329	3.2
355.15472	0.4
440.92316	0.3
440.98709	0.3
457.18408	0.4
488.37244	0.3
611.80347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3772
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
53.03946	0.7
55.05505	1.1
55.37726	0.3
55.76075	0.3
57.03443	1.5
60.58715	0.3
61.02932	3.1
61.19124	0.3
62.18937	0.3
67.05180	0.4
67.05511	5.9
69.03440	2.6
69.07063	1.4
71.01376	0.5
71.05000	3.1
72.46542	0.3
73.02921	3.0
79.05495	2.4
81.03421	1.9
81.07060	6.5
83.04969	0.6
83.08631	1.0
84.05871	0.3
85.02908	4.5
85.06576	0.4
87.04469	0.5
91.03964	2.6
91.05502	2.5
93.07053	4.1
94.54980	0.3
95.04986	0.5
95.08620	1.1
97.02901	3.7
97.06560	1.0
98.21510	0.9
99.04472	0.8
101.02377	1.7
103.03947	0.5
104.78082	0.3
105.07048	1.4
107.08603	2.2
109.02898	0.9
109.06528	0.3
109.10175	1.1
111.08102	0.6
115.03977	0.4
117.07042	0.5
119.08587	0.3
121.10161	1.2
123.11724	1.0
127.03941	1.3
131.08568	0.5
133.10147	2.0
135.11742	0.8
148.19057	0.3
149.13261	2.5
151.11203	0.7
157.59697	0.4
159.11707	1.4
177.12735	0.5
183.13869	0.3
185.04248	0.7
187.13411	0.6
195.13904	0.8
203.05365	0.4
235.13139	1.3
239.20941	0.3
243.08435	2.8
243.16115	0.3
257.17529	0.8
267.15768	1.0
269.17609	0.7
273.38428	0.3
291.15970	0.4
301.08987	0.5
413.17957	1.4
425.21359	0.4
441.21024	0.4
453.20984	9.4
485.23672	6.8
541.26910	0.4
567.31775	1.5
596.32092	0.7
625.31989	7.8
665.34558	0.3
697.37714	100.0
698.38092	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	697.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.2
55.05492	1.7
57.03437	3.4
60.36087	0.7
61.02924	5.6
67.05507	12.0
68.79584	0.6
69.03422	3.7
69.07065	1.6
71.04963	0.8
73.02922	4.6
79.05460	2.2
81.03385	3.4
81.07056	5.4
83.04937	0.8
83.08576	2.4
84.04493	1.4
85.02911	5.9
91.03960	4.8
91.05453	2.4
93.07019	3.4
94.71178	0.8
95.08566	2.1
97.02894	5.8
97.06551	0.8
98.20765	1.1
99.04433	1.3
101.02343	1.7
103.03960	0.8
105.06970	1.2
107.08598	1.7
109.02846	1.8
109.06531	0.8
109.09491	0.8
109.10165	12.2
111.08083	1.1
115.03985	0.7
117.07008	1.1
119.08540	2.2
121.10121	2.1
127.03868	3.4
131.08548	0.9
133.10091	0.9
135.11694	1.2
148.26530	0.7
149.13223	1.3
155.10626	1.6
172.44836	0.8
173.11745	4.0
181.04694	1.2
185.04189	3.3
195.13716	0.7
201.03690	1.1
203.05322	0.8
221.11481	1.3
229.14407	2.0
241.06873	0.7
243.08302	4.0
263.22662	0.9
301.09003	5.4
315.10498	3.3
329.12073	0.9
343.13538	0.9
355.13843	1.0
369.15073	2.0
371.16843	4.2
373.10910	3.6
385.18063	2.8
389.26483	1.0
413.17847	21.9
425.21347	3.7
429.17334	2.1
435.27383	1.2
453.21161	5.7
463.26590	1.9
469.20584	1.6
483.22211	1.2
484.22635	2.3
485.19916	6.9
497.23807	1.2
499.21097	4.9
516.21979	1.1
527.24780	1.2
541.26227	3.5
553.30103	1.9
567.31488	23.6
568.32111	1.5
570.90027	0.8
596.31665	11.0
597.32318	1.5
600.30499	1.6
623.34180	0.8
625.31958	100.0
626.32434	1.8
628.30780	6.3
651.33142	6.3
651.41644	0.7
653.35162	1.4
669.34479	1.5
697.34070	54.3
698.35327	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45371	0.2
52.47739	0.2
53.03945	0.5
53.57135	0.2
54.38025	0.2
55.01874	0.4
55.05512	1.2
57.03449	1.5
61.02937	3.7
67.05521	1.9
69.03446	2.2
69.07065	0.6
70.54797	0.4
71.05006	0.5
73.02934	2.5
79.05511	1.8
81.03431	5.8
81.07068	2.8
83.05000	1.1
83.08637	1.9
85.02916	5.3
85.06568	0.3
87.04461	0.2
91.03970	2.1
91.05486	3.1
93.07070	1.3
95.05003	2.1
95.08625	1.2
97.02901	3.2
97.10223	0.4
99.04475	0.3
100.14633	0.3
101.02396	1.6
105.07035	1.8
107.05004	0.6
107.08617	1.1
109.02934	0.5
109.06552	0.4
109.10182	0.5
111.04492	0.3
111.08110	0.9
113.05992	0.3
115.04002	0.3
119.08595	1.8
121.10157	1.0
125.09628	0.3
127.03951	0.8
129.07048	0.7
131.08612	1.0
133.10149	1.1
135.11713	0.4
142.07645	0.3
145.04964	0.3
147.08067	0.3
147.11697	1.5
149.09718	0.4
151.11305	0.3
157.10165	1.5
162.30748	0.3
165.12843	0.3
175.11238	1.2
185.04269	0.4
193.12273	4.0
197.59258	0.3
203.05382	0.5
211.13333	2.2
229.14507	0.4
243.08444	2.5
251.12569	4.3
251.14876	0.4
268.16327	0.4
285.17212	0.5
288.03424	0.3
307.15268	1.3
469.20520	15.2
530.03210	0.3
535.28809	0.3
695.60388	0.3
697.34100	100.0
698.34705	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
55.05512	2.1
57.03432	0.2
65.03932	0.7
67.05513	1.8
68.99801	1.2
69.03429	0.4
69.78420	0.8
69.78817	0.5
70.98866	0.3
77.03908	0.3
81.07042	0.4
83.04990	2.5
83.08616	1.8
85.02906	0.7
87.53020	0.3
91.05477	1.2
93.03414	0.9
93.07043	0.4
95.04964	2.7
95.08638	0.5
97.02930	0.6
97.06514	0.5
98.20797	0.3
99.04455	0.5
105.07066	0.4
107.04919	0.3
107.08602	0.9
109.06519	0.6
109.10136	1.1
111.04455	2.6
111.08075	0.4
115.05458	0.6
116.69920	0.3
116.78645	0.2
119.04956	3.9
119.08688	0.3
120.05199	0.3
121.02862	0.5
121.07620	0.3
121.10152	1.3
123.04433	53.9
123.11684	0.4
124.04771	0.4
125.09672	0.3
127.03880	1.4
133.06516	0.5
133.10133	0.8
135.04430	1.1
137.02306	0.5
137.06009	0.7
139.03906	100.0
139.11168	1.8
140.04230	1.0
143.04935	1.7
145.10313	0.3
147.04417	19.0
148.04715	0.9
149.05882	0.3
151.03914	2.9
151.07578	0.3
151.11169	2.5
153.05479	1.2
157.12250	0.8
159.04370	0.3
161.06003	6.1
163.03912	2.8
165.05484	14.7
167.14319	2.8
169.04988	1.1
173.13280	0.6
177.05499	0.8
179.06998	2.4
181.04996	0.9
187.07530	0.4
189.05499	1.8
191.14284	0.6
203.07121	0.3
205.08681	0.3
207.06529	6.7
209.15373	16.8
227.16463	0.8
249.07579	1.0
252.98019	0.4
273.07571	2.0
287.05554	0.5
291.08636	53.1
292.08969	0.9
295.05853	0.4
325.07056	0.5
337.06879	0.4
338.89313	0.3
349.07074	0.4
373.07501	0.3
379.08145	0.7
391.08167	0.6
409.08850	0.3
571.14343	0.4
571.49774	0.3
643.16693	0.5
661.17615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22314	0.3
53.03952	0.3
55.01867	0.4
55.05504	1.0
57.03436	1.6
58.64496	0.2
61.02930	3.5
67.05512	1.8
69.03434	2.3
69.07067	0.6
69.75868	0.2
71.01324	0.3
71.05006	0.5
71.39425	0.4
73.02927	2.5
78.60188	0.2
79.05489	2.0
81.03426	4.3
81.03872	0.5
81.07059	2.2
83.04983	1.1
83.08619	1.4
85.02909	6.1
87.04465	0.3
91.03951	2.4
91.05482	3.0
92.06314	0.2
93.07037	1.8
95.04979	1.9
95.08620	1.1
97.02888	3.2
99.04469	0.6
101.02380	1.5
103.03965	0.3
105.07044	2.0
107.04972	0.6
107.08594	0.5
109.02895	0.7
109.06541	0.6
111.04369	0.2
111.08109	0.7
113.05965	0.3
115.03903	0.4
119.08576	2.1
121.10175	0.7
123.08102	0.3
127.03934	1.2
129.06996	0.8
131.08554	1.0
133.10149	1.2
137.09644	0.3
145.04967	0.3
147.11713	1.5
147.88943	0.2
149.09660	0.6
155.62271	0.2
157.10153	1.2
158.13965	0.2
165.12805	0.3
168.45461	0.2
175.11134	1.1
183.06674	0.3
185.04243	0.5
193.12268	2.1
203.05339	0.2
211.13257	1.1
243.08455	2.1
251.12541	2.3
267.16183	0.4
285.17120	0.7
289.09326	0.3
307.15213	0.8
445.83649	0.2
469.20447	13.3
535.28870	0.3
694.43909	0.2
697.34045	100.0
698.34534	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	697.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96386	0.1
53.03939	0.4
54.52723	0.1
55.01867	0.2
55.05505	0.2
55.80309	0.1
57.03448	1.2
60.24417	0.1
61.02940	0.2
65.03933	0.2
68.99793	0.5
69.03087	0.2
69.03437	3.2
70.96609	0.2
70.96922	0.1
71.01374	0.1
71.05001	6.8
73.02932	0.2
75.04480	0.3
81.03426	3.5
83.04998	0.7
85.02914	8.2
87.00835	0.9
87.04484	0.2
90.01477	0.1
92.86247	0.1
93.03410	0.3
95.04963	0.3
97.02899	4.2
99.04472	0.7
105.01865	0.5
109.02902	1.2
111.00830	0.8
111.04437	0.6
121.02879	1.0
123.04420	0.3
127.03927	2.2
129.05495	1.9
135.04381	0.2
137.02351	2.8
137.03392	0.2
145.05005	0.2
147.06535	0.3
149.02348	0.4
151.94182	0.1
153.01848	2.8
155.04848	0.1
159.02881	0.5
161.06015	0.3
163.03935	0.5
165.01860	1.7
166.02684	0.2
173.06026	0.4
183.02922	0.6
183.04414	0.2
187.03920	0.2
195.02876	0.3
201.05479	1.1
205.05020	0.2
207.03000	0.2
215.03442	0.1
219.06552	0.3
228.04158	0.2
229.04982	3.9
231.05026	4.8
247.06013	0.7
249.06302	0.1
257.04489	2.5
274.04825	0.8
275.05466	0.2
285.03979	1.2
287.05670	0.1
302.04263	0.1
303.05011	100.0
304.05313	1.4
315.05280	0.3
345.06189	0.3
449.10553	0.3
533.08649	0.1
551.10248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1608
Annotation	Quercetin 3-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
53.03946	0.5
55.01870	0.5
55.05516	0.3
57.03419	1.0
61.02922	0.4
68.99780	0.7
69.03435	4.7
69.35167	0.3
69.98755	1.2
71.01344	0.3
71.04997	5.2
73.02922	0.6
73.33080	0.3
75.04526	0.3
81.03418	2.8
83.04986	0.6
85.02907	10.1
87.00831	2.7
87.04439	0.3
91.03958	0.4
97.02882	2.3
99.04451	0.8
105.01848	1.6
109.02888	2.2
111.00797	0.6
111.04433	1.1
116.92326	0.3
117.01852	0.7
121.02864	1.1
123.04446	0.3
123.64941	0.3
127.03911	4.1
129.05463	1.3
137.02325	2.4
137.03242	0.4
145.04947	0.7
147.06560	0.4
149.02362	0.4
151.21909	0.3
153.01801	2.9
159.02898	2.8
163.03954	0.4
165.01825	1.9
173.05928	0.4
183.02838	0.6
189.04048	0.3
201.05467	1.2
219.06519	0.4
229.04973	3.4
231.05008	4.1
247.06013	0.7
249.06120	0.4
257.04529	1.7
274.04727	0.6
285.04016	1.1
303.04987	100.0
304.05170	1.8
315.04886	0.4
345.05984	1.0
359.09683	1.1
369.06131	0.4
397.71259	0.3
437.21872	0.3
449.10553	0.4
551.10303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89942	0.3
53.03940	1.1
55.01860	0.3
55.05517	6.2
56.05047	3.9
57.03439	0.4
57.07083	2.9
58.06593	0.7
58.06840	0.3
60.04530	1.9
61.02930	0.4
65.03935	0.7
67.05510	11.6
68.05022	1.0
69.03431	2.4
69.06733	0.5
69.07074	7.4
70.06599	1.9
70.82610	0.7
71.08627	1.8
76.03970	0.3
78.23328	0.3
79.05495	8.4
80.05022	2.7
81.03411	1.0
81.05792	1.4
81.06591	0.5
81.07062	10.0
82.06116	0.5
82.06584	6.0
83.08627	4.4
84.08158	0.6
85.02908	3.7
85.10175	0.7
91.05486	8.2
93.05787	0.7
93.07051	9.7
94.06574	17.3
95.04958	1.1
95.07359	6.8
95.08614	8.1
96.08137	6.2
97.02902	1.5
97.06484	0.4
97.10174	3.0
99.04464	0.4
100.07658	0.3
105.06385	0.5
105.07033	5.1
107.07353	0.8
107.08588	4.8
108.08130	3.6
109.02869	0.4
109.10172	3.2
111.11699	1.2
117.07027	0.7
119.08585	5.5
121.08845	0.4
121.10155	6.1
122.09702	2.1
123.11692	1.1
124.11231	0.8
127.03878	0.7
131.08543	0.3
133.10143	3.5
134.09656	0.7
135.10611	0.5
135.11696	3.2
136.11244	0.7
137.13312	0.6
145.04942	0.4
147.11684	1.0
149.13249	0.9
151.14790	0.5
161.13281	1.0
163.14803	0.9
175.14940	0.4
177.16341	0.3
182.19098	0.3
193.19513	0.4
219.21028	0.9
233.22661	2.5
234.22165	0.5
237.22131	0.3
245.22685	4.6
250.25334	6.6
254.24747	1.3
260.23758	0.4
262.25311	100.0
263.25830	1.7
264.26785	0.9
272.25861	5.3
280.26382	5.7
312.25369	0.8
332.39569	0.3
442.31750	0.7
467.43423	0.3
504.47830	4.1
516.47791	31.3
517.48108	0.9
518.49329	8.2
534.48907	7.3
643.82123	0.4
696.54150	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	693.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.6
56.21645	0.5
57.07079	0.8
65.03960	0.5
67.05496	2.3
67.12046	0.5
69.07055	1.2
69.46261	3.2
72.66946	0.5
79.05490	1.3
81.07067	3.3
83.04963	0.6
83.08626	1.5
91.05482	1.5
93.07058	1.9
95.04961	0.6
95.08616	1.8
97.10191	0.7
98.98486	0.9
105.07030	1.8
107.08628	1.0
111.01926	0.5
117.07026	0.8
119.08600	1.1
123.11674	0.8
131.08589	0.8
133.10060	0.6
143.08560	0.6
145.10146	1.1
147.11687	0.8
159.11835	0.5
166.81906	0.5
185.13344	0.7
201.74147	0.6
297.30530	0.5
377.17889	1.5
379.19336	1.3
391.19269	0.8
392.19931	0.7
393.20752	1.4
405.16666	2.9
405.21594	0.9
407.19162	0.7
407.22656	5.0
408.23495	0.6
419.17850	2.8
419.23340	0.9
420.19510	1.9
421.20453	4.3
423.21939	1.0
433.19952	3.5
434.21255	4.7
435.21945	5.8
436.22623	1.1
447.21964	1.3
449.13837	0.6
449.19409	4.1
459.21762	3.2
460.22531	1.6
461.23392	0.8
463.21408	1.5
464.22159	1.0
521.25690	11.7
521.37897	3.9
522.26263	0.6
523.27136	1.1
533.29022	1.1
545.29376	0.9
546.29706	2.4
547.31238	2.6
549.24988	0.7
559.30737	0.8
574.25360	0.7
581.27618	2.6
591.30359	1.2
595.46539	2.5
606.28607	1.7
633.34442	14.7
693.36346	100.0
694.36761	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	696.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01865	1.0
55.05273	1.2
55.05514	13.7
57.03442	5.3
57.07077	9.8
61.02932	24.9
65.03934	1.4
67.05508	61.3
69.03433	4.0
69.07069	20.2
69.21771	3.8
69.22187	2.1
71.04982	1.0
71.08627	5.4
73.02922	11.8
79.05070	1.5
79.05496	18.4
80.07192	0.6
81.03425	1.6
81.07060	79.3
83.04964	1.1
83.08154	1.0
83.08625	18.5
85.02909	30.4
85.06558	2.1
85.10183	4.1
91.03961	27.6
91.05482	13.4
93.05469	0.8
93.07046	21.1
95.04961	2.1
95.08611	71.4
97.02905	14.1
97.06534	6.8
97.10180	11.3
99.04462	1.7
99.08086	2.5
105.07039	11.5
107.08601	15.6
109.02853	1.4
109.06488	0.9
109.10164	35.9
111.08119	3.5
111.11694	3.0
113.09608	1.8
115.03938	1.0
119.08591	12.9
121.10153	20.4
123.11721	18.8
125.09622	1.9
125.13319	0.9
127.03926	9.0
127.11194	2.2
131.78650	0.8
133.10130	15.3
135.11700	12.7
137.09619	1.9
137.13290	8.0
139.11189	1.4
141.12738	3.2
141.90428	0.8
145.04974	13.3
147.11685	9.6
149.13275	9.4
149.33459	1.0
151.11182	1.6
151.14836	5.5
153.12688	1.0
155.14296	3.6
156.75542	0.7
161.13266	15.2
163.06018	21.6
163.14816	12.1
165.12683	1.2
165.16396	9.3
167.14276	1.9
175.14854	10.5
177.16405	2.0
179.14211	1.0
179.17960	7.5
181.15945	1.4
189.16327	4.6
203.17937	1.2
207.17447	1.0
217.19437	1.3
245.22662	62.8
246.23047	0.8
247.24181	1.1
263.23715	100.0
264.24057	1.7
265.25394	1.3
281.24774	2.2
329.40219	0.7
331.15710	1.0
337.27390	41.8
355.28436	11.0
377.86639	0.8
448.06827	0.9
499.33041	1.6
538.40332	0.8
638.71667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.7
53.03946	0.7
55.01873	2.0
65.03938	1.0
67.01888	0.6
67.05511	0.7
68.99797	4.6
69.03429	0.5
73.29594	0.4
77.03925	1.0
79.05486	0.9
81.03426	3.8
83.04991	0.6
85.02911	0.5
89.03944	1.0
91.05499	0.8
93.03393	0.8
95.04983	1.5
97.02892	0.8
99.04462	1.0
103.05484	0.6
105.03400	1.0
106.50229	0.5
107.04958	3.8
107.38489	0.5
109.02884	3.6
111.00827	2.8
111.04474	4.6
115.05467	1.1
117.03402	0.9
119.04919	1.3
121.02873	2.2
123.03489	0.4
123.04440	64.0
127.03928	100.0
128.04260	0.8
131.04950	2.0
135.04427	41.2
137.02379	4.2
137.05977	0.9
138.42639	0.4
139.03914	63.4
141.07022	1.1
143.04936	1.0
145.02740	0.7
145.06558	0.7
147.04411	7.7
149.02368	5.2
149.06015	1.5
151.03914	18.1
153.01845	0.6
153.07025	0.5
155.04895	0.8
157.06476	1.2
159.04443	3.0
161.06015	2.8
163.03917	44.2
165.01799	0.6
165.05487	4.0
167.03418	8.1
169.06493	2.0
173.06012	2.7
175.03940	4.3
177.05504	5.1
179.03410	5.0
181.04961	0.6
183.04422	1.3
185.05899	1.0
187.03886	5.8
187.07655	0.7
189.05463	3.3
191.03412	12.3
193.04964	4.0
197.05978	3.8
201.05489	8.3
203.03401	10.5
203.07039	2.0
205.04991	2.8
209.06075	0.8
213.05486	1.6
215.03407	1.8
215.07024	2.5
217.04976	1.8
225.05524	1.3
229.04956	8.5
231.06558	2.8
233.04495	6.9
237.05467	0.9
241.05008	1.3
243.06516	4.2
245.04460	7.7
247.06046	32.9
248.06293	0.7
251.05595	1.2
253.04950	1.2
255.06453	2.5
257.04483	14.2
258.05188	0.8
259.06024	8.2
261.07660	2.3
265.04950	0.7
269.04422	4.5
271.06033	21.3
273.07568	8.5
275.05502	8.9
283.06073	8.9
285.07660	2.4
287.05521	21.0
289.03827	1.0
289.07074	21.1
297.07388	0.7
299.05573	4.0
301.07098	17.8
303.08542	1.1
307.06259	0.6
311.05609	0.6
313.06949	1.1
391.08145	2.4
393.09744	2.0
409.09207	29.0
410.09540	1.2
411.11221	0.8
421.09222	1.8
427.10382	4.1
435.10550	2.5
523.12439	7.9
525.14001	2.0
541.13586	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	692.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01874	2.5
55.05266	1.1
55.05516	14.5
57.03439	7.7
57.07071	2.1
59.04995	1.0
60.54065	0.6
61.02928	3.0
62.45898	0.6
63.08130	0.6
65.03945	1.8
67.05510	63.4
69.03435	1.8
69.07072	15.0
69.75407	0.9
69.75812	2.4
71.04999	15.0
73.02917	1.6
74.49595	0.6
77.03918	0.8
79.05501	24.2
81.03426	4.4
81.07062	82.5
82.07412	0.8
83.04991	5.4
83.08624	12.5
85.02911	5.4
85.06545	7.9
87.04469	1.5
91.03949	0.8
91.04919	0.9
91.05492	21.4
93.07050	38.8
95.04945	3.0
95.08608	15.8
95.09171	1.3
97.02919	2.0
97.06544	9.9
97.10184	4.1
99.08124	2.2
105.04505	0.8
105.07043	8.4
107.04989	1.1
107.07876	1.3
107.08604	24.4
109.06535	1.9
109.10165	17.1
111.08109	6.2
111.11765	0.8
113.06012	0.9
117.07005	6.6
119.08560	3.6
121.06541	0.7
121.10153	13.3
121.11030	0.7
123.08057	0.9
123.11716	8.3
125.09642	4.2
129.05508	1.2
129.07024	0.9
131.08559	6.8
132.72049	0.6
133.10141	11.4
135.08107	2.3
135.11714	6.8
137.09698	1.3
139.11253	0.9
145.10175	0.8
147.11674	1.0
149.09659	0.7
149.13272	22.1
151.11211	4.9
153.12775	1.1
155.10658	1.4
159.11711	7.7
163.11180	1.2
165.12683	0.9
169.12300	1.2
173.11765	2.7
177.12776	4.9
183.13872	1.8
186.55460	0.6
187.13371	1.8
191.10753	0.9
193.12267	0.9
195.13829	7.6
199.13338	1.7
209.11809	1.6
213.14978	1.3
225.14908	1.5
227.12846	1.4
229.14368	13.9
251.16603	0.8
257.13745	0.6
257.17682	1.0
267.15948	1.8
269.14569	1.6
269.17484	32.1
270.17673	1.2
278.89835	0.6
283.15485	0.9
283.18918	0.8
285.17087	0.7
301.16510	4.6
301.20157	6.5
313.32224	0.7
393.27002	0.7
411.27545	1.2
423.27490	12.2
437.23956	0.7
437.29022	36.1
451.30551	5.3
463.30573	100.0
464.30905	2.7
495.33890	28.6
496.33878	1.1
513.30475	4.2
665.26892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.5
55.05513	19.6
57.03450	13.6
57.66073	1.5
61.02917	8.2
65.03938	3.9
67.05510	37.1
67.06675	1.6
69.03423	7.1
69.07074	13.0
71.04982	7.4
71.53909	2.9
73.02901	2.1
79.05066	3.4
79.05499	41.5
81.03422	74.2
81.07065	46.6
83.04981	23.2
83.08625	25.8
85.02916	28.2
85.06545	3.6
91.03963	2.4
91.05489	64.6
93.07049	32.2
95.04976	41.3
95.08617	18.6
97.02900	7.0
97.06546	8.8
97.10161	6.0
99.08073	2.1
105.07034	38.7
107.04961	12.0
107.08610	13.6
109.06522	12.0
109.10159	7.8
111.04438	3.5
111.08082	12.5
113.05996	2.9
117.07030	6.1
119.04964	1.7
119.08596	36.1
121.06467	4.2
121.10132	14.4
123.08052	4.0
123.11666	5.2
125.09644	3.8
129.07033	21.0
131.08566	22.1
133.06482	5.2
133.10139	25.6
135.08054	3.9
139.03908	3.3
142.07816	5.4
145.10123	5.8
147.04405	1.9
147.08052	5.3
147.11694	32.2
149.09659	11.5
151.11209	5.7
157.10120	25.1
165.12775	6.7
175.11205	27.2
184.07367	2.1
193.12257	60.5
211.13289	72.4
217.99097	2.0
249.14912	1.9
267.09457	2.2
267.12991	3.8
267.15918	94.5
285.10220	6.3
285.16971	100.0
286.17404	2.0
324.11243	1.8
367.22745	4.1
385.23734	9.1
403.24707	3.9
438.18298	6.3
459.27448	55.1
477.28510	79.7
495.29544	74.9
496.29123	2.1
621.32257	2.3
692.39294	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	692.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.9
53.81100	0.6
55.05514	17.6
57.03443	15.8
59.05011	0.6
61.02935	5.6
65.03937	0.9
67.05508	24.1
69.03441	4.7
69.07069	6.0
71.01360	0.7
71.04997	5.7
71.39213	0.9
73.02899	1.1
79.05501	31.0
81.03423	84.7
81.07062	34.5
81.07440	0.5
82.03764	0.8
83.04987	20.9
83.08624	28.9
85.02914	35.8
85.06535	2.3
91.03967	2.2
91.05486	38.3
91.41399	0.6
93.07049	19.0
95.04974	34.7
95.08612	10.5
97.02908	6.8
97.06522	5.0
97.10169	5.1
99.08060	1.3
105.07040	28.4
107.04955	7.4
107.08596	8.8
109.06528	6.7
109.10156	3.9
111.04471	3.2
111.08097	12.8
113.06013	2.6
115.05473	2.3
117.07047	2.1
119.04908	0.7
119.08588	22.1
121.06512	2.5
121.10149	10.8
123.08091	4.1
123.11696	2.0
123.35474	0.8
125.06011	0.8
125.09621	2.2
127.03916	0.8
127.07550	1.2
129.07018	14.5
131.08574	12.6
133.06532	3.4
133.10138	13.8
135.08105	0.9
137.09634	1.9
141.44008	0.5
141.69209	0.6
142.07785	4.1
145.10114	2.2
147.08025	3.0
147.11693	17.5
149.09622	8.2
151.11188	0.6
155.08549	0.9
157.10143	20.8
163.11200	1.0
165.12720	4.2
171.11555	0.8
175.11201	19.6
183.13870	0.8
193.10428	1.1
193.12262	58.3
211.13307	100.0
212.13615	1.1
213.98650	0.7
229.14400	0.9
249.14780	1.0
267.12991	1.3
267.15930	39.5
285.16983	95.0
286.17358	1.9
349.21286	0.9
367.22717	2.9
385.23837	3.8
403.24640	1.4
433.25708	2.0
441.26236	1.1
459.27469	26.3
460.27695	0.7
477.28522	29.1
478.28369	1.0
495.29587	81.4
496.29883	2.8
639.33136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17625	0.6
55.01862	1.9
55.05269	0.9
55.05514	12.6
57.03437	12.9
59.05008	0.8
59.81866	0.6
61.02919	2.9
61.03214	0.7
65.03927	1.3
67.05509	19.3
69.03436	4.5
69.07072	6.3
70.05119	2.5
71.04996	4.2
73.02914	1.4
79.05496	21.3
81.03422	64.9
81.07056	26.9
83.04980	15.7
83.08622	25.1
85.02909	24.2
85.06530	1.8
87.04453	1.0
91.03955	1.3
91.04902	1.1
91.05486	29.4
93.07047	17.3
95.04972	34.0
95.08606	10.0
97.02892	4.7
97.06544	3.5
97.10165	3.9
99.04466	0.9
99.08090	1.8
105.07036	21.3
107.04970	7.4
107.08611	9.4
107.09335	1.1
109.06525	5.8
109.10146	3.1
111.04469	3.2
111.08088	9.9
113.05222	0.7
113.05988	3.2
115.05398	1.5
117.07009	1.8
119.08585	19.5
121.06504	2.3
121.10139	9.6
123.08060	1.8
123.11715	2.7
125.09608	2.8
129.07018	12.6
131.08583	10.8
133.06499	2.7
133.10132	14.3
135.08122	1.4
135.11691	1.2
137.05980	0.8
137.09631	1.4
142.07790	2.2
145.06569	0.7
145.10127	1.9
147.08057	4.0
147.11694	19.9
149.09624	6.6
151.11209	2.4
157.10133	18.1
165.12747	4.6
175.11197	17.3
175.12735	0.9
191.10909	0.7
193.12259	51.6
211.13297	61.4
267.12973	1.3
267.15927	37.2
285.16971	70.6
286.17386	1.9
338.37817	0.7
367.22723	2.6
385.23941	4.2
403.24988	2.3
433.26126	1.4
441.26654	1.0
459.27390	24.9
477.28519	43.3
478.28848	0.7
495.29565	100.0
496.29776	3.4
522.58081	0.8
639.33563	1.3
653.83740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03521	0.6
50.26281	0.6
50.52038	0.7
50.52739	0.7
53.03954	4.4
55.01620	1.0
55.05515	32.9
57.03161	1.3
57.03435	19.1
57.07072	2.1
59.04998	3.7
61.02927	8.8
65.03944	3.1
66.72126	0.7
67.05508	100.0
69.03431	4.1
69.07076	18.9
69.53078	5.1
70.08089	0.7
71.01350	1.8
71.05001	7.0
71.08627	0.6
73.02921	5.3
79.05497	43.7
81.03420	14.0
81.07062	76.2
83.01350	1.2
83.04986	10.5
83.08624	21.8
83.09129	1.3
83.21210	0.7
85.02907	16.3
85.06532	3.7
86.52449	0.7
87.04462	5.0
91.03967	2.7
91.05485	26.5
93.07050	43.3
95.04966	8.1
95.08610	19.6
95.09172	1.2
97.02903	7.7
97.06544	10.4
97.10177	16.3
97.10787	1.1
99.04488	1.2
99.08124	2.5
103.03963	1.5
105.07034	11.6
107.04971	5.8
107.08600	28.9
107.09299	1.6
109.06555	3.3
109.10165	54.6
111.04485	2.1
111.08092	7.4
113.05986	1.1
116.04755	0.8
117.07026	9.3
119.08585	10.5
121.06521	2.9
121.10157	11.2
123.08118	2.5
123.11723	4.3
125.05997	1.3
125.09633	14.5
127.03913	1.6
129.05495	6.7
129.07042	2.7
131.08583	9.0
133.10146	15.1
135.08096	2.1
135.11699	9.6
137.09656	3.1
139.11183	0.9
141.09219	0.9
143.07068	1.5
143.08566	1.4
143.10721	2.3
145.06494	0.8
145.10126	5.1
147.08084	1.2
147.11711	4.9
149.09665	2.0
149.13264	12.7
151.11195	2.1
153.12778	3.4
155.08699	0.9
155.10678	6.5
157.08701	0.8
159.11679	7.1
163.11162	7.9
165.12807	4.5
173.04538	1.0
173.09590	1.1
173.10106	0.8
173.11758	14.9
173.13167	1.2
175.11267	1.8
177.12738	5.7
181.12297	2.9
185.11723	1.3
187.15074	0.7
189.11319	0.7
191.10641	3.3
193.12288	4.7
195.13808	15.1
195.15498	1.1
195.51537	0.7
199.13306	7.2
199.14790	0.8
209.11707	7.1
211.13306	4.2
213.14951	2.2
227.12802	9.3
229.14360	56.1
239.16466	4.1
257.14011	1.4
265.50934	0.7
267.15906	7.6
267.18079	0.7
269.17496	65.3
283.15393	6.5
285.17032	2.1
297.17227	1.2
301.16498	19.7
313.16559	1.7
323.18533	1.6
339.23309	0.9
357.24808	1.0
393.26672	2.3
411.27542	6.5
422.26712	1.7
423.27451	37.2
429.96378	0.8
431.28232	2.6
433.99475	0.7
449.29166	2.0
459.27747	0.8
469.51529	0.7
477.28796	2.9
495.29538	71.1
496.30106	1.2
513.30634	28.8
603.69244	0.7
719.51770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.5
55.05513	35.3
57.03153	1.6
57.03431	22.6
57.07069	2.6
59.05000	4.7
60.30324	0.8
61.02926	8.6
61.91477	0.8
65.03938	3.6
67.05508	100.0
69.03415	4.4
69.06729	1.3
69.07074	17.3
69.27045	5.6
69.27454	2.3
71.01344	1.8
71.05001	6.6
71.08627	1.5
71.46461	0.8
73.02914	4.1
74.94414	0.9
79.05496	44.8
81.03420	13.3
81.07058	77.5
83.04991	9.6
83.08627	24.2
85.02905	17.2
85.06548	6.3
87.04475	4.7
91.03954	3.1
91.04913	1.2
91.05482	26.9
93.07048	45.3
95.04977	8.1
95.08614	22.7
97.02901	6.9
97.06534	11.2
97.10175	16.8
99.04453	2.0
99.08087	2.8
103.03933	1.5
105.04507	1.1
105.07043	13.2
107.04956	4.1
107.08601	27.7
109.06524	2.7
109.10162	48.3
111.04500	1.6
111.08091	6.9
113.05956	0.9
117.07018	7.0
119.08577	12.1
121.06531	2.6
121.10140	13.4
123.08065	2.8
123.11700	4.0
125.09631	13.1
127.03936	1.3
129.05484	6.8
129.07025	1.9
131.08585	7.4
133.10141	11.2
135.08087	2.7
135.11690	10.4
137.09604	3.8
139.11136	1.1
143.10654	2.1
145.10110	4.1
147.08087	1.6
147.11693	4.6
149.09583	1.8
149.13264	11.6
151.11224	1.6
153.12752	3.5
155.10680	7.2
157.10162	1.4
159.11685	8.1
163.11191	9.0
164.45959	0.9
165.12741	2.4
167.10678	1.2
170.78951	0.9
173.09630	2.4
173.11749	14.9
175.00284	0.9
175.11217	1.6
177.12756	3.8
180.09044	0.8
181.12221	2.7
189.11240	1.3
190.74106	1.0
191.10686	2.7
193.12239	5.0
195.12213	1.6
195.13831	16.1
199.13278	8.3
209.11688	7.0
211.13301	3.8
213.14853	1.7
227.12808	7.5
229.14357	53.0
239.16545	4.4
257.13791	2.5
267.15897	10.5
269.17493	63.2
270.17795	1.0
283.15390	6.8
297.16891	1.0
301.16461	17.7
323.18591	1.1
333.38315	1.0
393.26227	2.9
411.27322	7.5
423.27426	34.3
431.27936	2.8
448.73755	1.0
449.28864	1.8
477.28275	2.6
495.29562	66.5
496.29532	1.4
513.30664	27.8
576.80298	1.1
623.10443	0.9
713.02686	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01868	0.9
55.05515	1.7
57.03450	1.7
59.14448	0.4
61.02928	4.4
67.05176	0.7
67.05508	8.8
69.03054	0.4
69.03435	3.4
69.07075	1.9
71.04997	1.0
73.02924	3.1
79.05495	4.7
81.03416	3.7
81.07066	6.5
83.05000	1.0
83.08615	1.8
85.02921	5.3
87.04452	0.6
91.03972	3.4
91.05491	3.0
93.07049	4.4
95.04973	1.2
95.08607	4.7
97.02903	5.0
97.06542	0.7
99.04467	0.9
101.02405	1.8
103.03933	0.6
104.80216	0.4
105.04472	0.4
105.07025	2.9
107.04980	0.6
107.08611	3.0
109.02906	1.4
109.06547	0.5
109.10166	4.9
115.03951	0.4
117.07005	0.7
119.08620	1.5
121.10153	1.7
123.11695	0.6
127.03921	2.1
129.07098	0.4
130.50270	0.3
131.08560	1.3
133.10161	1.6
135.08058	0.5
135.11688	1.5
143.08546	0.8
145.05055	0.5
145.10175	1.0
147.11690	0.8
149.09673	0.6
149.13246	0.5
152.77951	0.4
157.10167	0.6
159.11699	0.8
163.11272	0.5
172.90820	0.3
173.11771	1.1
173.13235	0.9
175.14966	0.4
184.07288	0.4
187.00241	0.3
193.12383	0.4
195.10001	0.8
203.05414	0.5
211.13329	0.9
211.47844	0.5
227.09494	0.3
227.12849	0.5
229.14270	0.5
243.08466	1.3
248.80864	0.4
269.17462	0.5
275.20334	0.4
335.25931	1.0
411.20743	0.4
413.17819	4.1
479.52142	0.4
519.29474	6.8
519.36816	0.7
529.38910	1.7
631.46631	0.5
673.42145	0.6
691.40277	100.0
692.40411	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	691.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01866	0.7
55.05516	2.7
57.03447	2.1
61.02927	4.5
64.83347	0.4
65.03936	0.8
67.05505	14.5
69.03434	4.1
69.07061	2.5
71.01368	0.6
71.04991	1.0
73.02928	3.3
74.82077	0.3
77.02815	0.4
78.43566	0.4
79.05499	5.0
80.09300	0.4
81.03429	4.5
81.07056	8.7
83.04997	1.4
83.08624	1.6
85.02914	6.6
87.04475	0.6
91.03953	3.1
91.05478	4.3
93.07050	5.2
95.04966	1.5
95.08611	4.9
97.02892	5.3
97.06525	0.8
97.10179	1.0
99.04456	1.1
99.08092	0.5
101.02379	1.8
102.51421	0.4
103.03983	0.5
105.07030	2.4
107.04939	0.6
107.08605	2.6
109.02890	1.5
109.10159	8.5
111.04427	0.8
111.08093	0.8
111.69491	0.4
117.07016	1.1
119.08566	3.0
120.51853	0.5
121.05128	0.4
121.10150	2.4
121.10936	0.5
123.11699	0.7
125.09631	0.4
127.03922	1.8
129.05437	0.5
129.07019	0.9
131.08600	1.9
132.68866	0.4
133.10143	1.4
135.11703	1.3
137.09619	0.5
145.04907	0.6
145.10172	1.2
147.11687	1.1
149.09663	0.9
149.13318	0.7
155.10666	0.6
159.11761	0.7
161.13260	0.8
163.11162	0.5
171.11681	0.4
173.11758	2.0
173.13173	0.5
179.40866	0.4
193.12300	1.0
195.09982	0.7
211.13347	1.4
227.12723	0.4
229.14436	0.8
238.46405	0.4
243.08411	1.5
252.11987	0.5
269.17581	0.6
277.19217	0.4
292.28180	0.5
335.26028	1.3
413.17770	8.7
505.74109	0.4
519.29382	4.4
519.36230	0.9
529.38684	1.5
673.42944	1.0
691.40277	100.0
692.40326	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	689.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.1
54.87532	1.2
55.01879	5.6
55.05270	1.8
55.05518	29.4
57.03442	14.1
57.07072	2.6
57.39668	1.1
59.04996	1.4
61.02922	5.4
61.57899	1.2
65.03949	5.7
67.05508	77.0
69.03430	23.0
69.07069	26.6
70.58215	3.8
71.01336	1.5
71.04988	13.2
71.08634	1.8
73.02927	5.2
79.05497	70.6
81.03425	76.3
81.07061	100.0
82.07408	2.0
83.04982	19.6
83.08624	16.1
85.02910	14.1
85.06549	6.5
87.04459	1.2
91.05486	68.5
92.05826	2.0
93.07050	68.2
94.07422	1.6
95.04972	18.6
95.08611	49.3
97.02895	30.3
97.06551	11.2
97.10174	4.7
99.04465	8.5
99.08126	3.0
103.05489	3.5
105.04560	2.4
105.07038	59.5
107.04967	8.5
107.08607	45.9
108.08905	1.2
109.02901	12.6
109.06517	8.8
109.10159	17.9
111.04425	6.1
111.08111	5.8
115.05487	5.2
117.07030	25.3
119.08589	43.3
121.06550	6.4
121.10146	33.4
123.04469	2.7
123.08102	5.3
123.11712	11.6
125.06098	1.3
125.09653	2.5
127.03939	15.0
128.05408	1.4
128.06264	5.5
129.05501	5.3
129.07022	18.8
130.07730	1.3
131.04950	1.6
131.08586	34.0
133.06541	1.7
133.10136	31.2
133.11070	1.9
135.08075	5.1
135.11707	19.7
137.05956	1.7
137.09639	2.7
139.07620	1.5
139.11234	1.9
141.07028	5.3
142.07840	4.2
143.08580	21.0
145.06549	4.1
145.10139	28.0
147.08081	3.8
147.11697	37.6
149.09703	3.8
149.13278	14.5
151.11203	1.4
153.07045	1.4
153.09256	1.7
155.08559	11.9
156.09306	1.9
157.06602	1.5
157.10138	17.8
159.08113	3.8
159.11719	23.4
161.09669	4.5
161.13263	15.1
163.11235	4.7
163.14838	2.0
165.07095	2.8
165.12791	10.5
167.08620	4.8
167.14305	1.7
168.09407	2.0
169.10139	12.2
171.08044	2.9
171.11711	17.3
173.04558	3.9
173.09738	4.1
173.13246	13.3
175.07608	1.4
175.11221	4.9
175.14854	7.3
177.12814	4.8
179.08531	2.3
180.09369	1.6
181.06548	1.6
181.10132	6.9
182.20813	1.4
183.08159	1.7
183.11736	10.1
183.13179	1.1
184.48492	1.4
185.09679	4.3
185.13289	11.3
187.11264	2.7
187.14854	6.1
189.11163	1.7
189.12718	3.1
193.10312	1.3
193.12309	3.4
195.11728	5.3
195.13844	4.8
196.69035	1.4
197.13335	7.2
199.11217	2.8
199.14822	6.3
201.12822	1.9
201.16426	2.3
202.13083	1.3
207.11758	2.9
209.09654	1.7
209.13353	4.4
211.11336	1.5
211.14868	3.7
213.12810	2.4
213.16505	3.0
219.11833	1.8
221.13405	3.4
223.14888	2.9
225.16530	1.6
227.17998	1.8
229.14282	2.7
231.21158	1.9
235.13194	2.3
235.17026	1.4
237.12834	1.5
239.14348	1.7
239.18111	2.9
241.15894	2.2
241.19531	12.0
243.21147	3.2
253.19699	1.5
255.21365	1.7
257.19153	3.8
259.13376	2.5
259.20581	21.1
261.22131	8.1
267.15930	16.8
269.17438	13.1
271.20731	3.1
272.62405	1.4
273.14984	1.3
273.18631	1.9
275.20148	2.1
277.21811	1.9
283.20511	1.9
285.16888	6.0
285.22049	1.5
295.20758	2.1
297.22137	2.3
299.23807	1.5
301.21735	3.8
309.22217	2.5
313.21802	2.4
315.23175	2.3
325.21793	1.9
327.23074	3.1
333.24347	16.7
335.25836	16.3
337.16629	3.1
339.18192	3.5
339.23230	2.2
341.24857	1.5
343.22876	1.5
349.21692	2.9
351.23218	2.7
355.17648	1.5
360.35309	1.4
367.22864	5.4
369.24234	2.8
375.25580	1.7
385.23813	4.7
387.25494	2.8
393.19308	1.4
403.25076	1.9
411.20349	7.4
413.21799	15.8
417.31650	1.8
435.32761	6.5
441.26212	1.6
453.33673	3.6
459.27454	2.5
477.28781	1.9
509.36517	3.9
517.38397	1.5
525.35577	2.3
527.37335	62.0
529.38770	2.2
539.37671	1.4
540.12494	1.4
543.36230	1.9
545.38446	7.7
569.38574	4.7
581.38177	1.7
593.38354	2.4
611.39362	3.5
617.38757	2.4
623.39606	2.9
635.39636	12.9
653.40594	15.6
671.41528	25.9
689.42499	54.9
690.42554	2.5
716.68335	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	12.5
55.01872	7.9
55.05509	35.9
57.03201	1.5
57.03444	17.8
57.07055	1.8
61.02925	10.7
65.03934	6.7
67.05505	96.5
69.03431	25.4
69.07067	25.5
70.60229	2.2
70.60564	4.0
71.01341	3.1
71.04986	8.8
73.02908	6.6
79.05492	71.5
81.02934	2.2
81.03419	58.9
81.07057	100.0
81.09843	1.9
82.46791	1.4
83.04974	13.3
83.08624	19.1
85.02899	16.9
85.06533	5.4
87.04443	3.2
89.68514	1.8
91.03956	3.6
91.04903	3.1
91.05479	78.7
93.07042	83.7
95.01305	2.2
95.04973	31.3
95.08609	53.2
97.02895	26.2
97.06532	10.1
97.10172	5.8
99.04449	8.0
99.08080	3.6
99.70219	1.7
103.03942	2.5
103.05461	3.7
105.04508	2.6
105.06313	3.1
105.07027	60.8
107.04957	14.5
107.08593	42.5
109.02891	13.5
109.06535	8.1
109.10151	18.4
111.04427	6.3
111.08084	2.4
115.05462	4.8
117.07013	33.3
119.08580	44.6
121.06496	8.7
121.10143	30.8
123.04441	11.7
123.08092	5.8
123.11716	8.9
125.05966	1.8
125.09602	4.7
127.03907	10.1
128.06224	7.3
129.05469	4.8
129.07008	25.7
130.07761	2.0
131.04938	4.2
131.08569	42.9
133.06496	6.4
133.10147	33.7
135.08040	7.3
135.11679	20.6
137.05959	2.3
137.09631	4.5
139.11133	2.9
141.06961	7.7
142.07765	6.1
143.08557	22.2
145.06473	5.8
145.10118	37.6
147.04367	6.6
147.08044	6.5
147.11690	31.9
149.05986	5.6
149.09642	5.5
149.13260	14.2
151.07466	1.9
151.11206	3.0
153.07010	2.9
154.07756	2.2
155.08542	13.5
156.09357	2.2
157.06511	2.6
157.10110	25.3
159.08087	6.2
159.11694	24.0
161.05908	3.7
161.09622	4.2
161.13255	10.5
163.11195	6.2
163.14838	4.9
165.07001	2.1
165.12749	7.7
166.07851	2.3
167.08575	7.8
169.10132	17.7
171.08089	2.5
171.11688	16.3
173.04535	2.5
173.05946	2.2
173.09642	5.0
173.13214	12.9
175.07559	1.6
175.11183	6.1
175.14760	4.3
177.09157	1.5
177.12784	5.4
179.08527	3.2
181.10071	7.9
183.08029	2.7
183.11726	14.6
185.09645	3.2
185.13237	12.6
187.11172	3.6
187.14804	5.6
189.05435	3.1
189.11230	2.3
189.12791	5.8
191.14220	1.8
193.10152	4.4
193.12250	5.9
195.11693	10.9
195.13802	7.7
197.13272	7.7
199.11253	3.8
199.14845	6.9
201.12727	2.1
203.14368	2.1
205.10168	2.1
205.12155	2.4
207.11658	2.9
207.13902	3.2
209.13257	7.7
209.15115	2.1
211.11235	3.3
211.13100	2.2
211.14839	4.1
211.59369	1.7
213.12756	3.0
213.16389	1.8
215.14264	2.0
217.12238	3.4
219.11752	1.7
221.13281	3.2
223.14966	3.2
225.12737	2.7
225.16461	3.7
229.19363	1.9
231.13924	2.8
233.13324	2.6
235.13200	14.4
237.12788	3.5
237.16385	2.5
241.19496	5.4
243.21228	2.9
247.13283	1.8
249.14777	2.4
255.13730	1.8
257.15488	1.9
257.18942	3.0
259.13306	5.3
259.20544	12.0
261.22128	6.2
267.15829	10.6
269.17456	15.0
271.20496	5.2
273.14920	4.3
273.22028	2.4
275.19901	2.8
283.20682	2.3
285.16983	4.7
289.21582	2.0
291.19617	1.9
295.20428	2.4
297.22037	3.9
299.19952	1.8
301.14432	10.2
301.21591	4.3
303.15628	2.3
309.22000	4.2
319.15350	5.2
323.23669	2.7
327.23254	3.4
333.24435	9.4
335.25833	25.3
337.16370	6.6
339.23001	2.7
345.24179	2.2
349.21362	3.5
351.23291	6.4
357.24216	2.9
367.22675	6.5
369.24161	5.5
375.17993	4.5
375.25342	2.4
377.19626	2.2
385.23654	3.6
387.25159	2.5
393.19116	3.3
403.24847	2.9
405.26352	1.8
411.20276	4.1
413.21628	6.7
419.28720	2.2
435.32626	9.9
441.26221	2.1
443.28052	2.5
443.48242	1.8
453.33466	4.4
459.27182	2.3
471.34283	1.9
509.36057	6.6
527.37286	90.5
528.37482	2.4
529.39069	2.0
539.37042	3.8
543.36011	4.0
545.38190	5.2
555.36652	1.8
557.38885	2.2
569.38477	7.9
581.38190	3.2
607.40753	1.9
611.39996	4.0
623.39209	4.8
635.39374	22.9
653.40295	18.1
671.41565	24.1
672.41980	2.2
689.42603	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54952	1.5
55.05495	6.2
57.03421	3.8
67.05510	21.1
69.03413	3.9
69.07067	8.6
69.90150	1.4
71.05006	2.1
71.53642	2.1
77.03120	1.6
79.05501	14.2
81.03413	6.6
81.07067	25.7
83.04977	4.3
83.08610	3.7
85.02921	2.0
86.09694	5.2
91.05491	12.5
92.05801	2.3
93.07043	18.6
94.07372	2.8
95.04971	3.8
95.08604	9.3
97.06521	4.5
97.10147	1.8
105.07037	7.7
107.04900	2.0
107.08576	11.4
109.10157	3.3
111.04445	2.2
117.07027	3.9
119.08573	7.1
120.08932	1.6
121.10162	7.8
124.99992	5.0
129.07005	1.7
131.08553	5.9
132.08823	2.1
133.10089	5.0
135.11710	2.9
143.08566	2.0
145.10103	2.9
147.11687	3.0
149.13286	10.9
159.11702	5.0
177.12723	3.0
184.07333	20.7
193.10133	1.5
193.12178	2.0
193.58574	1.4
195.13785	5.9
227.12712	1.7
269.17487	62.5
270.17776	2.0
275.19998	2.8
276.20313	3.9
396.20905	2.5
463.30566	100.0
464.31351	2.8
482.26862	1.9
483.92175	1.8
505.29782	1.9
640.65393	1.7
652.39130	2.5
670.40417	4.4
688.41656	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	689.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	1.1
51.02374	1.5
52.56121	0.8
53.03950	9.9
55.01873	6.9
55.05516	28.1
57.03180	1.5
57.03441	11.9
57.07074	3.3
59.04995	1.4
61.02917	2.4
65.03928	5.9
67.05508	73.1
69.03434	33.1
69.03815	1.3
69.07071	23.2
71.04994	11.0
71.08628	1.1
71.53136	1.5
73.02912	2.2
77.03940	2.1
79.05152	1.3
79.05499	69.2
81.03424	100.0
81.07062	75.0
83.04492	1.4
83.04986	21.8
83.05470	1.5
83.08624	22.9
83.72569	0.8
83.86316	0.8
85.02908	19.0
85.06555	4.0
87.04496	1.5
91.05489	61.7
93.07050	70.3
94.07416	0.9
95.04974	30.1
95.08611	46.9
96.08961	1.0
97.02896	23.0
97.06529	9.2
97.10185	6.2
99.04462	9.0
99.08093	3.4
101.02410	1.2
101.06020	1.3
103.03976	1.2
103.05485	2.2
104.72363	0.8
105.04539	2.3
105.07038	46.0
107.04969	9.4
107.08602	36.8
109.02891	15.9
109.06516	7.5
109.10156	17.3
109.10835	1.2
111.04459	11.9
111.08094	8.7
113.06039	2.3
115.03979	1.3
115.05478	3.2
117.07026	19.5
119.04963	0.9
119.08593	39.8
121.06505	6.5
121.10152	26.5
123.04437	2.2
123.08089	6.8
123.11716	7.1
125.06047	1.7
125.09669	3.8
127.03931	13.6
127.07607	1.8
128.06281	2.8
129.05515	4.0
129.07011	19.0
129.07919	1.4
130.07855	1.5
131.04958	1.0
131.08577	32.1
131.09529	1.7
133.06532	5.2
133.10143	24.8
133.11099	1.7
135.04456	1.1
135.08060	4.4
135.11703	14.7
137.05981	1.6
137.09607	4.2
137.13287	1.9
139.11282	1.0
141.07053	3.6
142.07791	5.5
143.08562	12.5
145.06508	3.4
145.10138	21.7
147.08057	5.6
147.11699	28.5
148.11963	0.9
149.06088	1.4
149.09644	6.3
149.13271	6.8
151.07574	1.6
151.11223	2.1
153.07054	1.4
153.12776	2.7
155.08585	6.7
157.06485	2.5
157.10143	18.7
159.08105	1.9
159.11700	13.7
161.06058	1.0
161.09624	2.4
161.13275	7.3
163.07561	1.4
163.11238	5.4
163.14911	2.7
165.05602	1.0
165.06992	1.2
165.12772	7.2
167.08640	3.3
168.09509	1.0
169.10130	8.1
171.08144	3.4
171.11681	9.5
173.04510	9.2
173.05910	1.5
173.09665	2.1
173.13269	8.1
175.11200	13.0
175.14883	4.0
177.09108	0.9
177.12833	2.0
179.08635	1.5
179.14326	1.2
180.09380	1.1
181.10123	4.7
181.12289	3.0
183.08122	1.5
183.11722	7.0
183.13167	0.9
183.13652	0.9
185.09636	2.8
185.13301	6.4
187.11305	1.6
187.14789	4.2
189.11342	1.1
189.12859	1.3
191.10693	3.6
193.10435	1.7
193.12250	33.6
195.11745	4.7
195.13765	1.5
197.13194	4.6
199.11276	1.9
199.14835	3.8
201.12805	1.4
203.14297	1.5
205.10291	1.0
207.11789	2.2
209.11623	1.2
209.13335	4.6
209.15237	1.3
211.13287	46.0
212.13663	1.0
213.12946	1.6
213.16467	1.6
217.12386	1.5
217.15878	0.9
221.13469	1.7
223.14897	1.3
225.12784	1.0
225.16499	1.4
227.12669	4.2
229.14426	2.9
231.13869	1.2
233.22592	1.0
235.13148	1.3
237.16467	2.4
241.19572	1.6
243.21196	1.7
249.14796	1.8
257.15231	1.1
257.19086	2.0
259.20581	5.3
261.22238	6.6
267.15897	8.1
269.17630	2.8
273.14941	2.0
273.18384	1.3
273.22067	1.1
275.20084	1.2
277.21741	2.7
283.15561	1.8
285.16925	7.4
301.14511	1.4
301.21741	2.8
315.23364	1.6
317.24948	1.8
323.23550	1.4
327.23291	2.0
333.24438	2.6
335.25903	16.4
337.16708	3.3
341.24704	1.8
345.24042	1.1
351.23245	4.0
353.25024	1.5
355.17606	6.4
369.24219	5.4
375.25250	1.3
387.25287	4.1
393.19138	1.5
405.26694	2.1
411.20181	4.4
417.31601	1.0
425.26993	1.0
425.34460	1.0
435.32581	4.1
443.28036	3.3
453.33725	2.0
461.29129	3.8
471.35233	1.4
503.38098	1.0
509.36490	3.4
525.36310	1.4
527.37372	28.5
529.38507	1.0
543.35889	1.9
545.38287	9.6
546.61847	1.0
561.37842	1.0
569.38354	1.5
571.24670	0.9
580.72455	1.0
597.38275	1.4
607.39355	0.9
611.39624	1.4
615.38892	1.1
635.39783	2.6
641.40228	1.5
653.40399	7.8
671.41467	11.9
689.42596	89.1
690.42542	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	688.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
53.74286	0.8
55.05516	3.7
57.03440	3.2
65.86453	0.8
67.05508	15.8
68.33167	0.8
69.03429	1.2
69.07067	6.2
70.12050	3.2
71.04990	2.6
71.68507	0.8
79.05498	11.8
79.17471	1.0
79.46266	0.7
81.03427	4.2
81.07057	22.7
82.07411	1.3
83.04996	2.1
83.08611	5.1
84.05293	0.8
85.06541	1.4
86.09698	4.0
91.05485	8.5
93.07045	16.6
95.04977	1.8
95.08608	7.2
97.02908	1.9
97.06545	4.9
98.20856	1.1
105.07050	4.9
106.07381	1.3
107.05003	1.2
107.08604	10.5
109.02901	1.0
109.10168	2.2
111.08123	0.9
117.07030	4.0
119.08591	3.8
121.10146	5.4
123.08103	1.2
124.99987	2.7
129.06972	1.3
131.08580	3.4
133.10143	3.5
135.08031	1.1
135.11685	2.2
145.10107	2.1
147.11696	1.8
149.13272	9.1
157.10167	1.0
159.11667	5.5
160.12021	0.9
173.13245	1.0
177.12787	2.1
184.07327	10.0
195.13821	3.9
213.14857	1.4
260.41364	1.0
269.17487	64.7
276.20517	2.4
353.39719	0.9
463.30551	100.0
464.30746	2.9
514.43884	0.9
526.35913	1.5
670.40216	3.0
688.41504	9.7
701.02557	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.2
53.03939	5.1
55.01869	2.8
55.05515	17.3
57.03437	11.7
60.79081	1.1
61.02926	2.4
65.03936	3.3
67.05508	36.4
69.03437	3.3
69.07069	9.8
70.77903	1.5
71.04985	3.4
79.05495	53.3
81.03420	53.2
81.06588	2.2
81.07056	37.3
83.04987	18.6
83.08620	20.9
85.02908	15.3
85.06553	2.4
87.69911	1.0
91.03955	1.3
91.05482	54.3
92.43290	1.1
93.07047	50.8
95.04971	30.9
95.08597	17.3
97.02906	2.6
97.06543	3.9
97.10168	3.9
105.04511	1.9
105.07033	40.2
107.04955	7.3
107.08598	14.0
109.06514	7.5
109.10146	4.0
111.04452	1.8
111.08083	9.0
113.06030	1.1
115.05450	1.4
117.07009	5.6
119.08580	26.2
121.06515	3.8
121.10168	7.6
123.08071	6.1
125.06019	1.1
128.06223	2.4
129.07013	18.0
131.08559	11.1
133.06483	2.5
133.10132	15.0
135.11716	1.4
142.07797	2.5
143.08545	6.5
145.10117	6.4
147.08073	4.1
147.11691	33.8
149.09607	4.3
157.10133	10.0
161.09607	2.0
161.13228	6.7
165.12743	2.2
171.11678	14.9
175.11189	10.5
189.12813	4.9
193.12253	28.1
207.13802	18.1
211.13280	30.5
249.14931	1.5
267.15887	35.7
281.17465	46.4
285.16980	36.8
418.74066	1.5
452.53854	1.1
455.27689	1.5
473.29016	100.0
474.29245	4.1
491.30066	79.2
492.30331	2.3
592.15350	1.2
635.33679	1.2
638.73145	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	2.0
53.03947	13.8
55.01875	9.2
55.05270	2.3
55.05519	35.2
57.03440	13.5
57.07081	2.4
59.95393	1.9
61.02920	3.7
62.42656	1.9
65.03948	6.5
67.05512	67.6
69.03432	36.0
69.07076	18.6
71.04996	11.0
71.47253	1.9
71.53206	2.8
71.55740	1.8
72.10038	1.8
73.02906	4.2
78.12961	1.7
79.05500	55.6
81.03425	100.0
81.07067	59.3
82.03773	2.5
83.04996	26.7
83.08626	25.5
85.02930	21.4
85.06560	5.0
91.05489	71.9
93.07050	51.0
95.04987	26.9
95.08620	36.8
96.36621	1.8
97.02887	22.1
97.06541	10.6
97.10178	7.1
99.04457	9.1
99.08089	4.9
103.05487	4.0
105.07040	60.1
107.04965	17.5
107.08595	25.6
109.02900	14.0
109.06544	8.5
109.10168	11.0
111.04434	9.3
111.08112	9.3
115.05491	6.5
117.07033	29.4
119.04989	2.6
119.08588	45.1
120.08855	2.2
121.06530	8.6
121.10157	23.8
123.04467	3.3
123.08074	3.9
123.11761	6.5
125.09642	7.9
127.03928	12.0
128.06192	8.9
129.05498	2.3
129.07001	26.8
131.04938	3.2
131.08583	43.7
133.06494	6.9
133.10143	24.8
135.08064	7.3
135.11691	9.0
137.09642	4.7
141.07016	11.2
142.07816	6.4
143.08585	28.2
144.09293	2.9
145.06532	7.6
145.10149	27.9
147.08084	8.7
147.11703	29.4
149.09616	11.2
149.13322	4.5
153.07031	3.1
153.12814	3.7
154.07800	3.4
155.08562	22.0
156.09348	3.6
157.06531	4.3
157.10115	26.8
157.11299	2.7
159.08086	6.7
159.11687	17.9
159.79497	2.2
161.09630	3.2
161.13292	4.5
163.11209	7.3
165.07047	4.2
165.12816	3.0
166.07884	2.7
167.08574	11.3
168.09386	2.7
169.06548	2.2
169.10144	20.0
171.08104	6.6
171.11697	17.6
173.04480	24.8
173.05881	2.9
173.09698	6.8
173.13286	7.1
175.11177	9.1
175.14813	2.4
179.08577	5.1
181.10196	14.6
181.12315	3.3
182.11050	2.3
183.08095	4.1
183.11710	16.8
185.09656	6.9
185.13269	14.1
187.11241	5.4
187.14926	3.3
189.12852	2.7
191.10791	4.7
193.10248	5.9
193.12297	27.5
195.08067	3.0
195.11739	13.4
197.09695	3.0
197.13260	10.4
199.11189	4.3
199.14911	5.5
201.12791	3.5
205.10130	4.7
207.11697	6.5
209.09790	3.4
209.13356	10.0
211.11340	3.5
211.13341	28.0
211.14980	4.7
213.12776	5.1
217.16154	1.9
219.11804	3.9
221.13335	4.1
223.11406	2.8
223.14911	5.4
225.12773	3.3
225.16444	3.6
227.12723	4.7
233.13278	3.2
235.14925	2.9
237.12770	3.2
237.16447	2.9
239.14427	2.8
239.18011	2.2
241.15962	3.0
241.19548	2.8
247.14973	2.6
257.19131	4.4
259.20676	7.2
265.15729	1.9
265.19711	2.9
267.15915	6.2
271.20642	4.3
275.20041	5.6
283.15479	3.7
283.20581	2.9
285.16943	12.5
287.20261	2.7
296.48111	2.1
299.20197	3.1
307.20615	2.4
311.20273	2.3
311.23712	2.2
313.21759	4.3
315.23361	2.5
321.22159	4.1
323.20233	2.0
323.24063	2.1
325.21719	4.6
331.20367	2.6
333.24542	3.4
337.21692	2.5
339.23380	6.5
343.22559	2.5
349.21436	9.5
351.23361	3.7
357.24557	2.4
367.22668	13.9
369.24603	2.9
385.23843	8.5
423.25339	3.1
423.32657	2.7
433.30960	4.9
441.26517	6.7
451.32565	3.3
459.27509	6.1
469.32758	2.7
499.34314	2.0
507.34818	5.4
515.37323	3.5
523.33771	2.3
525.35876	45.8
537.35583	2.6
541.33307	3.5
543.36627	9.2
567.36786	3.5
605.38684	2.3
633.38306	6.4
635.00323	2.1
639.39233	4.1
651.39130	29.0
669.39935	34.6
687.41064	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.9
55.01871	10.3
55.05515	39.4
57.03443	15.9
57.07071	2.2
59.41321	1.4
61.02923	7.8
65.03942	4.6
67.05507	56.3
69.03430	41.9
69.07073	21.7
71.01349	2.0
71.04718	1.2
71.05003	13.4
71.54302	2.0
73.02917	4.2
77.03951	2.0
79.05018	1.6
79.05496	53.9
81.03421	97.8
81.07056	57.5
83.04984	22.3
83.08621	24.5
85.02914	25.9
85.06546	4.4
91.03964	2.8
91.05484	63.0
93.07045	50.5
95.04984	24.2
95.08614	39.4
97.02904	23.2
97.06521	8.2
97.10155	7.4
99.04471	11.5
99.08099	2.5
101.02385	2.6
103.05496	4.0
105.07037	59.5
107.04958	11.3
107.08595	26.5
109.02883	17.0
109.06518	12.2
109.10149	16.1
111.04465	9.4
111.08089	8.6
113.05979	2.2
115.05488	4.7
117.07023	31.8
119.08588	48.8
121.06515	7.2
121.10141	20.4
123.04437	2.4
123.08102	4.7
123.11723	4.9
125.09643	5.8
127.03925	12.0
128.06245	9.5
129.05505	5.6
129.07014	30.8
129.07930	2.5
131.04962	2.3
131.08577	41.8
133.06499	5.4
133.10143	26.9
135.04395	1.5
135.08057	5.0
135.11682	9.9
137.05923	2.0
137.09627	3.6
139.11273	2.4
141.06996	10.4
141.45898	1.5
142.07800	8.0
143.08571	24.2
144.09349	1.7
145.06483	7.7
145.10123	32.6
147.08051	5.9
147.11688	25.2
149.09642	10.2
149.13268	2.7
151.11217	2.4
153.07008	4.2
153.12756	2.3
154.07799	4.9
155.08565	23.7
156.09433	2.3
157.06497	3.5
157.10143	30.7
159.08099	6.4
159.11684	18.6
161.09619	5.7
161.13277	5.9
163.11214	8.0
163.14864	1.8
165.07051	4.3
165.12779	3.3
166.07843	3.7
167.08543	10.4
168.09390	3.7
169.10120	22.3
171.08083	6.1
171.11700	25.2
173.04477	36.7
173.09627	5.4
173.13255	11.8
175.06105	2.1
175.11171	9.2
175.14835	1.7
177.12709	1.8
178.07806	2.9
179.08524	7.1
180.09360	2.8
181.06511	1.7
181.10118	13.4
181.12286	3.7
182.10883	2.0
183.08174	3.4
183.11682	22.0
185.09700	5.6
185.13235	13.2
187.11214	3.5
187.14819	2.7
189.12726	3.0
191.08658	2.5
191.10677	3.6
193.10197	8.7
193.12306	20.0
194.10938	2.0
195.08078	4.2
195.11716	14.6
197.09669	4.7
197.13268	14.0
199.06027	1.8
199.11241	6.0
199.14819	7.4
201.09367	1.5
201.12776	3.4
201.16469	2.4
203.10802	2.6
203.14401	1.9
205.10103	3.2
206.10844	2.2
207.11761	7.4
207.13680	1.7
209.09752	3.5
209.11603	2.5
209.13338	11.9
211.11214	4.4
211.13332	28.5
211.14958	5.8
213.12880	3.4
215.14363	1.7
217.12366	2.1
219.11790	3.1
221.09650	1.6
221.13301	5.2
223.11256	3.1
223.14780	6.9
225.12747	3.7
225.16432	4.3
227.12814	4.3
229.14241	2.6
233.13350	4.2
234.73264	1.6
235.14886	3.9
237.12755	3.6
237.16515	3.1
239.14313	2.1
239.18080	1.7
241.19505	2.6
247.15031	3.3
251.14409	1.8
253.15819	1.7
257.19034	4.1
259.20572	8.3
267.16025	6.1
271.20639	5.5
275.20181	4.8
283.15384	1.6
283.20477	3.1
285.16821	7.3
287.20242	3.6
289.21970	1.7
295.20505	3.2
297.18961	1.8
297.22159	3.3
299.20261	4.4
301.21854	1.8
307.20499	3.3
309.22092	2.8
311.20038	2.3
313.21790	3.4
315.23367	2.7
321.22226	3.6
323.20111	1.9
323.23709	2.2
325.21695	5.6
333.24414	2.4
337.21564	1.8
339.23328	5.1
347.23700	1.9
349.21494	9.0
351.23148	4.9
367.22665	15.2
369.24323	2.2
369.96939	1.7
385.23727	8.5
403.25006	2.3
411.20496	2.8
423.25473	3.0
433.31061	9.9
441.26428	5.9
451.32193	6.3
459.27560	6.4
469.33029	4.1
489.33395	2.2
507.34802	6.7
513.35638	3.4
515.37555	6.3
517.28082	2.5
523.33508	1.8
525.35791	67.1
526.36127	2.5
527.37610	3.1
541.34827	3.2
543.36945	18.6
559.35449	2.0
567.37012	3.7
579.37213	3.0
595.36499	2.6
597.36877	3.5
609.37659	3.1
613.36499	2.0
623.39264	2.5
633.38220	5.3
639.39264	3.2
641.40979	2.3
651.38965	28.3
669.39886	30.5
687.41034	100.0
688.41547	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	687.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	4.0
53.03946	10.1
55.01870	11.7
55.05517	36.8
56.77591	1.9
57.03437	16.4
57.07080	3.3
59.51790	1.7
61.02926	8.2
64.25097	2.0
65.03939	5.9
67.05510	66.9
69.03436	37.5
69.07074	24.2
71.01356	2.7
71.04999	12.7
73.02931	5.2
77.03918	2.1
79.05499	61.3
81.03424	100.0
81.07061	70.5
83.04985	16.4
83.08620	23.5
85.02911	24.3
85.06551	4.5
91.03956	2.3
91.05487	67.4
93.07050	57.4
93.07632	3.2
95.04978	31.0
95.08055	3.3
95.08618	34.1
97.02896	20.2
97.06536	10.3
97.10162	10.9
99.03889	2.1
99.04475	8.1
103.05473	4.8
105.04516	3.4
105.07040	55.1
107.04953	13.8
107.08604	31.8
109.02892	17.3
109.06518	12.4
109.10162	12.7
111.04452	14.2
111.08099	8.3
115.05478	6.4
117.07032	34.4
119.04995	2.3
119.08601	42.0
121.06508	10.4
121.10150	23.7
123.04361	2.2
123.08055	4.8
123.11730	4.8
125.09630	5.3
127.03926	8.5
128.06255	10.5
129.05495	5.1
129.07014	31.7
130.07806	2.4
131.04883	2.9
131.08577	37.2
133.06523	7.3
133.10153	26.3
135.04446	2.1
135.08051	8.2
135.11716	10.0
137.09619	5.0
141.06985	13.8
142.07787	8.7
143.08572	25.8
144.09355	2.5
145.06535	9.0
145.10130	33.1
147.08063	9.7
147.11700	25.4
149.05995	2.9
149.09619	10.4
149.13271	4.0
151.07509	2.3
153.07059	4.4
154.07805	4.0
155.06091	2.0
155.08546	22.7
156.09384	2.8
157.06540	4.3
157.10147	26.4
159.08105	7.1
159.11713	20.8
161.05968	1.8
161.09657	4.2
161.13333	7.9
163.11237	5.0
165.07019	4.4
165.12794	3.3
167.08598	13.5
168.09369	4.1
169.06577	2.4
169.10124	21.6
171.08087	5.9
171.11713	16.6
173.04478	22.4
173.05856	3.5
173.09633	6.2
173.13234	9.7
175.05956	2.1
175.11223	8.7
175.14836	2.5
179.08591	7.2
180.09392	2.6
180.90030	2.3
181.06493	3.0
181.10158	14.1
181.12204	3.7
183.06635	2.2
183.08078	3.7
183.11708	19.8
185.09671	4.7
185.13274	12.6
187.11292	4.0
187.14853	4.4
189.05656	2.1
189.11284	3.6
189.12810	2.3
191.08588	2.0
191.10628	4.8
193.10222	7.6
193.12296	19.2
195.08113	2.1
195.11740	15.6
197.09721	3.5
197.13278	13.3
199.11237	5.7
199.14908	6.5
201.12737	3.3
205.10309	2.9
205.12244	3.7
207.11754	8.1
209.09718	2.2
209.13353	10.6
211.11299	6.0
211.13358	24.4
211.14717	3.4
213.12898	4.0
213.16502	2.8
219.11877	2.8
221.13361	6.7
223.14828	5.1
225.12868	4.2
227.12837	6.5
233.13336	3.8
235.14958	4.5
237.12784	3.1
237.16426	2.8
239.14320	3.8
239.18239	2.6
241.19527	4.7
257.19000	5.4
259.20718	5.5
261.16373	2.4
267.13440	2.5
267.15842	11.1
271.20660	4.0
275.20251	7.1
285.16962	11.2
295.20596	3.3
307.20746	2.9
309.22211	4.4
311.20157	4.8
313.21643	4.7
315.23288	3.1
321.22119	3.9
325.21625	3.7
337.21646	2.8
339.18582	2.1
339.23373	6.3
343.22922	2.0
349.21735	7.1
367.22806	13.6
369.24429	3.1
385.23669	6.9
420.03055	2.1
433.31183	4.6
441.26404	7.4
451.32089	5.7
459.27603	6.6
469.33179	2.7
477.28143	2.6
489.34290	2.4
497.36823	2.1
507.34827	5.8
515.37494	3.0
523.32983	2.2
525.35870	53.8
537.35675	2.4
543.36853	7.1
549.35602	2.3
559.34979	4.6
567.37024	5.9
588.69116	2.5
597.38263	2.3
609.38116	3.8
615.36230	3.2
621.37946	3.0
633.38031	9.4
639.38904	3.4
651.38782	29.7
669.39960	37.8
687.41034	90.8
688.41040	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	686.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01880	0.6
55.05265	0.9
55.05510	9.5
57.03439	11.6
57.07072	1.9
59.05005	3.8
61.02927	4.1
65.03940	2.0
65.78246	0.5
67.05504	92.4
69.03431	1.6
69.07069	6.5
69.29787	4.6
71.04971	3.4
73.02913	1.1
75.76450	0.5
79.05491	18.7
81.03416	0.8
81.07055	34.2
83.04980	0.9
83.08612	8.4
85.02901	3.5
85.06525	2.6
91.03956	1.6
91.05483	11.9
93.07039	21.2
95.04969	1.1
95.08605	23.3
97.02890	2.1
97.06539	1.5
97.10168	1.6
99.04493	0.7
99.08109	0.8
105.04546	0.5
105.07039	7.4
106.87691	0.5
107.08591	12.0
109.06544	1.0
109.10155	79.6
110.10513	0.7
111.08073	3.1
117.07011	2.8
119.08567	9.4
121.10133	11.7
123.11695	3.8
125.09635	1.8
127.03870	0.6
131.08566	5.3
133.10150	4.6
135.11685	6.9
137.09634	4.7
137.13237	1.1
145.10115	3.8
147.11694	3.7
149.13280	3.7
155.10686	11.8
159.11700	2.6
161.13277	2.7
163.14838	2.9
171.11763	0.6
173.11726	16.4
173.13269	3.4
175.14851	0.8
177.16386	1.0
187.14723	1.0
189.11172	0.8
201.16330	0.8
210.72816	0.6
227.12767	5.1
229.14345	100.0
230.14636	1.1
243.21114	4.5
261.22153	16.7
317.24750	3.4
335.25790	69.2
336.25986	1.3
353.26831	0.7
379.29880	0.8
393.04657	0.5
397.31036	1.1
415.31900	1.4
471.34445	1.4
489.35730	41.1
490.35956	1.0
507.36789	4.7
524.89349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65697	0.7
51.61154	0.6
52.01510	0.6
53.03944	2.3
55.01860	1.4
55.05511	12.8
57.03441	12.7
57.07082	2.4
59.04997	3.2
61.02922	3.8
62.63381	0.6
64.60928	0.7
65.03942	2.1
67.05505	100.0
69.03429	1.9
69.07071	9.0
69.30235	5.2
71.04993	3.0
73.02925	1.4
79.05494	22.9
81.03408	1.1
81.07057	41.8
83.04989	1.2
83.08624	8.2
85.02906	4.8
85.06535	3.2
90.62690	0.7
91.03967	2.4
91.05484	14.6
93.07046	27.4
95.04977	1.4
95.08607	28.8
97.02882	2.4
97.06516	1.3
97.10155	2.0
99.08102	1.0
105.07028	7.6
107.08596	14.5
109.06512	1.0
109.10157	76.3
111.08100	3.6
117.07013	2.9
119.08591	10.4
121.10146	13.8
123.08083	1.3
123.11718	3.5
125.09609	1.0
126.26434	0.6
131.08574	5.7
133.10159	6.3
135.11690	8.1
137.09615	4.0
137.13280	1.2
145.04961	0.9
145.10120	4.0
147.11682	3.2
149.13271	5.5
155.10664	9.8
159.11728	3.4
161.13266	2.3
163.14815	2.3
173.11772	15.8
173.13266	2.8
175.14825	1.1
181.00983	0.7
187.14772	1.8
201.16290	0.8
227.12779	4.8
229.14351	89.7
230.14731	1.3
243.21065	5.9
261.22128	18.3
299.23666	1.0
317.24661	2.7
335.25797	80.6
336.26089	2.1
379.29672	0.8
397.30997	1.0
415.31985	1.3
459.87302	0.8
461.18338	0.7
471.34875	1.5
489.35748	69.1
490.36053	1.3
495.24075	0.7
507.36938	4.2
604.75067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.0
55.01872	1.6
55.05269	1.1
55.05515	16.0
57.03447	12.3
57.07079	30.0
65.03916	1.6
67.05504	22.4
69.03434	10.2
69.07073	9.0
71.04995	4.1
71.08634	21.9
73.02895	0.9
76.14775	0.8
79.05493	13.3
81.03421	56.0
81.07057	25.9
83.04984	26.7
83.08615	21.8
85.02918	12.3
85.06499	1.7
85.10189	14.1
89.06053	1.2
91.05480	13.9
93.07049	12.7
95.04973	19.1
95.08613	21.8
97.02886	11.4
97.06519	3.4
97.10171	6.9
99.04462	2.5
99.08103	1.8
105.07027	11.7
107.04301	0.8
107.04952	4.3
107.08589	6.4
109.02893	6.9
109.06532	3.3
109.10161	11.5
111.04446	8.7
111.08081	9.1
113.06063	1.4
113.43034	0.8
115.05472	0.9
115.47392	0.8
117.07050	1.2
119.04948	1.1
119.08586	10.4
121.06481	2.0
121.10144	6.1
123.08091	0.9
123.11710	4.6
125.09631	2.0
127.03914	5.4
127.07550	0.9
129.05475	10.0
129.06946	5.6
131.08578	8.1
133.06468	2.1
133.10143	4.8
133.99977	0.8
135.11732	2.8
137.13281	1.5
142.07828	1.7
145.10127	2.2
147.08031	2.3
147.11661	10.5
149.09608	4.1
153.12776	2.2
157.10129	7.7
163.11205	3.5
165.12758	2.8
175.11183	10.4
180.02831	0.7
181.12251	4.1
191.10706	2.1
193.10454	1.4
193.12253	30.8
211.13295	43.6
216.45299	0.8
221.97194	0.8
227.12872	5.0
229.14308	6.5
229.59254	1.1
239.23744	4.0
249.14948	2.0
267.15909	13.3
273.14752	1.1
277.14786	0.8
283.15518	1.8
285.17017	10.9
301.14349	1.6
303.40103	1.0
313.27386	53.2
314.27637	1.5
335.25861	2.0
337.16489	2.1
355.17569	4.4
411.20255	2.3
429.21201	19.4
489.35800	1.2
505.38989	12.4
523.39990	100.0
524.40173	3.4
667.44269	19.0
685.44183	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24867	1.2
53.03944	5.1
54.04084	1.2
55.01869	4.6
55.05276	1.3
55.05517	18.6
57.03439	14.0
57.07081	47.0
57.28561	1.2
61.00438	1.2
62.51324	1.1
65.03932	1.5
67.05180	1.8
67.05513	29.8
67.78320	1.3
69.03436	14.4
69.07069	12.3
71.04987	5.5
71.08241	1.7
71.08638	33.7
71.54085	1.7
73.02921	1.4
73.82754	1.1
74.09731	2.6
75.86026	1.3
79.05498	16.9
81.03425	61.5
81.07061	33.9
83.04987	27.3
83.08625	28.0
84.33131	1.1
85.02922	15.6
85.06531	1.8
85.10194	16.3
85.68407	1.3
87.04522	1.3
91.05476	14.3
93.07056	12.4
95.04975	21.3
95.08616	29.7
97.02902	14.1
97.06530	2.7
97.10174	8.4
99.04475	3.0
105.07040	12.5
107.04955	5.2
107.08578	6.9
109.02892	8.9
109.06522	3.3
109.10167	15.0
111.04422	10.8
111.08109	7.6
117.07012	2.1
119.08604	15.6
121.06481	1.7
121.10147	6.9
123.08113	2.1
123.11719	4.9
127.03938	6.6
129.05501	11.3
129.06990	6.9
131.08601	7.2
133.10172	7.3
135.08054	1.6
135.11708	2.5
137.13246	1.6
145.10139	2.6
147.08090	3.3
147.11700	13.8
149.09621	5.2
153.12704	2.0
155.08527	1.3
157.10156	11.9
163.11200	3.4
165.12746	3.4
175.11201	7.9
181.12289	2.7
183.06676	1.2
191.10616	1.9
193.10468	1.3
193.12257	40.0
211.13306	54.1
227.12823	5.2
229.14343	6.5
239.23741	6.3
257.24835	1.6
265.14514	1.4
267.15970	16.1
285.16968	17.1
301.13962	1.8
313.27393	92.6
314.27716	1.6
323.07666	1.4
337.16571	1.6
355.17719	6.1
411.20157	2.4
429.21289	17.7
505.38947	21.0
523.39990	100.0
524.40204	3.2
573.48236	1.8
667.44202	33.7
685.28052	2.5
685.44232	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.9
53.03947	3.2
55.01867	1.5
55.05515	8.8
57.03441	3.3
65.03940	1.9
67.05511	25.2
69.03441	0.9
69.07070	6.5
71.04993	1.5
71.54114	0.9
73.06568	0.9
73.89518	0.8
77.03922	1.1
79.05499	42.3
81.03429	5.1
81.07061	21.6
83.03967	0.7
83.04977	7.7
83.08617	3.3
85.02910	1.7
85.06546	1.5
91.05483	32.2
93.07050	41.6
95.04975	11.8
95.08612	14.2
97.02876	1.2
97.06539	2.8
97.10170	1.2
105.04551	1.8
105.07040	25.2
107.04963	4.7
107.08601	9.9
109.06522	3.8
109.10156	2.1
111.08072	1.0
117.07026	5.1
119.08588	14.6
121.06514	2.1
121.10178	2.8
123.08080	3.0
127.07523	0.8
128.06247	1.3
129.07021	11.2
130.07809	0.8
131.08527	2.1
133.10118	6.3
135.11711	2.2
143.08556	6.1
145.10126	6.6
147.08005	1.9
147.11696	22.3
159.11697	1.0
161.09654	3.4
161.13292	5.3
163.11275	1.6
171.11708	17.4
179.14383	1.0
189.12704	6.9
207.13799	18.0
225.04456	0.8
225.14870	1.3
236.16487	2.3
263.16452	1.6
281.17496	44.9
365.50742	0.8
373.25552	0.7
469.29684	3.0
487.30588	100.0
488.31149	3.9
543.36969	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	682.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01865	0.8
55.05316	0.4
55.05519	5.3
55.57461	0.4
57.03427	1.6
61.02931	7.6
61.65376	0.4
65.03920	0.5
67.05508	5.9
68.35104	0.4
69.03441	2.6
69.07072	2.0
70.06589	0.6
70.11039	2.1
71.05000	0.8
73.02928	3.7
74.99715	0.4
79.05496	5.1
80.05014	0.5
81.03414	1.4
81.07064	4.8
83.05006	0.8
83.08624	3.5
85.02913	5.5
91.03951	2.8
91.05492	3.3
93.07051	3.4
94.06577	2.7
95.04967	0.7
95.08601	1.5
97.02897	3.3
97.06544	1.0
97.10159	4.6
98.20777	0.5
99.04473	1.8
101.02355	1.0
105.07030	1.9
106.06582	0.5
107.08592	3.2
108.08141	3.0
109.10184	1.1
110.09661	1.0
117.07063	1.3
118.06583	0.5
119.07241	0.5
119.08585	1.0
120.08118	3.1
121.06501	0.6
121.10128	0.8
122.06047	0.4
122.09673	1.5
124.07577	3.7
124.62068	0.4
125.09634	2.6
127.03970	0.9
129.07059	1.1
131.08559	1.5
132.08051	2.6
133.09145	0.6
133.10138	2.1
134.09659	1.7
136.07588	1.0
137.08327	0.5
138.09134	8.9
144.08081	1.6
145.08946	0.5
145.10089	0.9
146.09674	2.1
147.11731	0.6
148.07585	0.9
148.11235	0.9
150.09196	0.8
152.07104	0.7
152.10753	1.1
158.09648	1.1
160.07567	0.7
160.11267	1.1
162.09203	1.4
164.10739	2.1
172.11328	0.7
174.09149	1.1
175.10040	0.6
176.10730	1.5
178.12329	1.3
183.13834	0.9
188.10663	1.7
189.11279	0.7
200.10643	0.7
204.13885	0.5
215.12886	0.9
232.16977	0.7
244.17064	1.3
258.18567	1.6
260.16562	2.1
262.18042	1.6
274.17981	2.2
274.85663	0.4
276.19614	4.0
278.17569	2.1
287.05557	0.8
288.19934	0.5
290.17535	4.8
292.19141	1.3
294.20862	0.6
298.18185	0.5
300.19839	0.5
302.17188	0.5
304.19235	0.9
308.18610	2.3
314.21140	0.5
316.19083	1.5
318.20758	0.6
330.20477	1.1
332.22055	0.7
346.20172	0.6
382.27460	1.4
400.28442	3.4
410.26901	4.3
428.27969	14.2
446.29001	3.0
463.59033	0.5
466.30405	0.5
476.29794	0.6
502.31668	9.8
520.32727	100.0
521.33008	3.0
532.32709	1.3
544.32776	5.6
556.31494	0.5
562.33551	4.5
586.33844	1.6
598.33789	1.4
610.34003	1.3
628.34576	2.2
646.35913	4.5
664.36792	3.5
682.35498	7.2
683.36530	1.1
706.17413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01865	0.8
55.05316	0.4
55.05519	5.3
55.57461	0.4
57.03427	1.6
61.02931	7.6
61.65376	0.4
65.03920	0.5
67.05508	5.9
68.35104	0.4
69.03441	2.6
69.07072	2.0
70.06589	0.6
70.11039	2.1
71.05000	0.8
73.02928	3.7
74.99715	0.4
79.05496	5.1
80.05014	0.5
81.03414	1.4
81.07064	4.8
83.05006	0.8
83.08624	3.5
85.02913	5.5
91.03951	2.8
91.05492	3.3
93.07051	3.4
94.06577	2.7
95.04967	0.7
95.08601	1.5
97.02897	3.3
97.06544	1.0
97.10159	4.6
98.20777	0.5
99.04473	1.8
101.02355	1.0
105.07030	1.9
106.06582	0.5
107.08592	3.2
108.08141	3.0
109.10184	1.1
110.09661	1.0
117.07063	1.3
118.06583	0.5
119.07241	0.5
119.08585	1.0
120.08118	3.1
121.06501	0.6
121.10128	0.8
122.06047	0.4
122.09673	1.5
124.07577	3.7
124.62068	0.4
125.09634	2.6
127.03970	0.9
129.07059	1.1
131.08559	1.5
132.08051	2.6
133.09145	0.6
133.10138	2.1
134.09659	1.7
136.07588	1.0
137.08327	0.5
138.09134	8.9
144.08081	1.6
145.08946	0.5
145.10089	0.9
146.09674	2.1
147.11731	0.6
148.07585	0.9
148.11235	0.9
150.09196	0.8
152.07104	0.7
152.10753	1.1
158.09648	1.1
160.07567	0.7
160.11267	1.1
162.09203	1.4
164.10739	2.1
172.11328	0.7
174.09149	1.1
175.10040	0.6
176.10730	1.5
178.12329	1.3
183.13834	0.9
188.10663	1.7
189.11279	0.7
200.10643	0.7
204.13885	0.5
215.12886	0.9
232.16977	0.7
244.17064	1.3
258.18567	1.6
260.16562	2.1
262.18042	1.6
274.17981	2.2
274.85663	0.4
276.19614	4.0
278.17569	2.1
287.05557	0.8
288.19934	0.5
290.17535	4.8
292.19141	1.3
294.20862	0.6
298.18185	0.5
300.19839	0.5
302.17188	0.5
304.19235	0.9
308.18610	2.3
314.21140	0.5
316.19083	1.5
318.20758	0.6
330.20477	1.1
332.22055	0.7
346.20172	0.6
382.27460	1.4
400.28442	3.4
410.26901	4.3
428.27969	14.2
446.29001	3.0
463.59033	0.5
466.30405	0.5
476.29794	0.6
502.31668	9.8
520.32727	100.0
521.33008	3.0
532.32709	1.3
544.32776	5.6
556.31494	0.5
562.33551	4.5
586.33844	1.6
598.33789	1.4
610.34003	1.3
628.34576	2.2
646.35913	4.5
664.36792	3.5
682.35498	7.2
683.36530	1.1
706.17413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.03438	0.2
55.05506	1.0
57.03438	1.2
61.02930	3.7
67.05509	4.0
69.03436	1.8
69.07083	1.4
70.81199	0.2
71.01367	0.4
71.04991	0.6
73.02924	2.9
74.93681	0.3
79.05499	2.6
81.03437	2.6
81.07060	4.8
83.04990	1.0
83.08632	1.0
85.02914	3.9
85.06552	0.3
87.04451	0.3
91.03974	2.4
91.05501	1.8
93.07053	4.3
95.04987	1.2
95.08610	1.5
97.02903	3.4
97.06545	0.8
98.20810	0.7
99.04440	0.6
101.02380	1.4
103.03932	0.4
105.07060	1.0
107.08595	2.2
109.02895	0.7
109.10188	0.5
111.08105	0.8
117.07008	0.3
119.08590	1.0
121.10118	1.6
127.03926	1.2
129.07042	0.4
131.08582	1.0
133.10143	1.0
133.14203	0.3
135.11725	0.5
145.04982	0.4
147.11703	0.8
149.13284	2.8
157.10153	0.6
158.63191	0.3
159.11720	1.3
175.11203	0.6
177.12843	0.5
185.04253	0.7
193.12361	1.1
195.13910	0.6
211.13321	0.4
235.13145	0.8
243.08421	2.1
251.12630	1.2
269.17566	0.7
291.15854	0.5
307.15057	0.3
428.06656	0.3
453.21021	11.4
469.20453	5.0
481.90149	0.3
519.29626	0.4
582.03168	0.3
617.84326	0.3
649.95001	0.3
681.34595	100.0
682.35236	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	680.481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06830	3.9
57.07084	53.9
65.06683	2.2
67.05503	11.8
69.07085	2.5
70.65672	2.9
70.66004	5.2
79.05505	3.8
81.07067	12.3
83.08643	3.1
91.05503	6.8
93.07018	3.5
95.08646	5.0
105.07040	4.1
109.10146	6.7
111.04461	3.0
119.08538	3.1
121.10158	2.9
137.05989	8.8
147.11671	5.8
187.14870	2.2
228.88016	2.3
233.03690	3.9
251.04765	13.9
277.17957	3.9
327.03922	5.3
327.07819	100.0
328.08295	2.4
365.66809	3.1
383.14130	61.7
439.20398	88.3
491.37457	9.0
495.19278	4.7
495.26651	83.9
551.33014	44.7
551.42035	3.6
607.39075	96.2
608.38776	2.7
613.44495	9.0
663.45410	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	681.1668
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
53.03947	0.6
55.05505	0.3
55.10107	0.2
57.03428	0.9
58.59359	0.2
61.02927	0.6
68.99796	0.5
69.03439	3.7
69.77387	1.1
70.06596	0.4
71.01364	0.4
71.05004	6.0
73.02910	0.7
75.04479	0.3
81.03429	2.6
82.06607	0.2
83.04980	0.7
85.02914	9.6
86.09733	0.2
87.00840	2.9
91.03959	0.4
95.04990	0.3
97.02901	2.0
98.20857	0.4
99.04465	1.2
101.05936	0.2
105.01871	1.5
107.22993	0.2
109.02237	0.3
109.02912	2.6
111.00795	0.6
111.04438	0.9
111.99080	0.2
115.03949	0.2
116.99140	0.2
117.01868	0.8
121.02892	1.8
123.04369	0.2
127.03921	3.2
127.09451	0.2
129.05499	1.4
132.73293	0.2
133.02869	0.4
135.04471	0.2
135.19125	0.3
137.02402	0.5
138.99232	0.2
139.03899	0.4
145.04993	1.0
147.04422	0.6
147.06544	0.4
148.01347	0.2
153.01849	2.3
157.06528	0.3
159.02907	2.8
163.04012	0.2
165.01820	1.2
183.02910	0.7
189.03941	0.5
213.03812	0.3
213.05511	0.7
231.04906	3.1
241.04933	0.7
247.74548	0.2
249.06192	0.4
255.08826	0.3
258.05304	0.6
259.06125	0.3
286.04578	0.3
287.05524	100.0
288.05792	1.2
299.05661	0.4
329.06732	0.6
341.08835	0.3
359.09790	1.3
397.09265	0.3
400.74802	0.2
486.43799	0.2
535.10730	0.4
606.65637	0.2
681.28436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
55.05515	12.2
56.69854	1.5
57.03429	4.7
57.07068	3.2
61.02651	2.0
61.02934	22.9
65.03937	3.3
67.05505	70.5
69.03423	5.0
69.07071	12.4
71.05003	3.7
73.02924	10.9
75.04478	1.4
79.05498	41.7
79.75384	1.3
80.45720	1.5
81.03414	4.9
81.07061	78.8
82.07412	1.5
83.04945	2.3
83.08622	8.9
85.02433	2.4
85.02911	32.1
85.06533	1.6
91.03957	27.2
91.05483	24.5
93.07051	58.8
93.07639	2.9
95.04977	3.4
95.08614	56.5
96.99368	1.4
97.02898	14.6
97.06538	3.5
97.10171	4.0
99.08098	3.8
105.04506	1.7
105.07040	17.5
107.08601	32.9
109.06509	3.0
109.10165	38.5
109.10903	1.2
111.08070	3.9
113.09666	1.9
117.07046	12.5
119.08588	15.3
121.09340	2.3
121.10153	36.0
123.08058	2.0
123.11701	16.5
125.09642	1.9
127.03927	10.4
129.07002	2.7
131.08572	19.8
133.10150	14.1
135.11707	27.6
137.09633	2.2
137.13263	7.6
139.11209	1.6
145.04974	13.4
145.10130	20.9
147.11703	12.7
149.09576	1.7
149.13242	21.4
151.11119	2.4
151.14804	3.0
159.11696	14.2
161.13255	13.5
163.06012	21.8
163.14806	16.1
165.12715	2.4
173.13255	15.3
175.14842	4.1
177.12735	2.8
177.16357	8.0
179.14243	3.9
185.13329	1.8
187.14816	10.6
191.14174	1.9
201.16397	3.4
205.15662	1.9
233.22684	3.4
243.21094	35.8
261.22162	100.0
263.23627	2.1
267.64142	1.7
279.23160	3.1
335.25864	15.8
336.99500	1.4
353.26886	35.6
387.25037	2.0
434.99237	1.6
448.27704	3.1
479.29208	1.6
497.31030	4.8
617.21863	5.1
645.22021	2.7
677.34650	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	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.1
55.01881	2.7
55.05512	13.7
57.03429	7.4
57.07066	6.0
61.02704	1.5
61.02933	16.6
61.20023	1.9
65.03949	3.5
67.05508	84.8
69.03429	2.8
69.07075	20.6
71.04974	2.6
71.08631	2.2
73.02901	7.6
79.05496	47.5
81.03427	3.6
81.07059	87.0
83.04977	1.8
83.08605	9.8
85.02913	25.8
85.06545	4.3
87.41298	1.6
91.03960	20.7
91.05484	27.8
93.06487	3.3
93.07052	58.9
95.04945	2.3
95.08610	70.2
96.30798	1.7
97.02897	14.4
97.06544	5.5
97.10159	4.2
98.20710	3.0
99.08087	2.8
100.99892	2.1
105.07043	20.2
107.08604	42.9
109.10165	43.2
111.08085	3.4
113.09576	1.9
117.07019	11.4
119.08575	17.0
121.09331	3.1
121.10152	36.9
123.08089	2.9
123.11691	18.7
127.03922	6.0
131.08583	22.4
133.10129	19.8
135.11700	33.2
137.09610	2.5
137.13237	6.9
145.04956	10.6
145.10120	17.1
147.11700	13.3
149.13258	25.0
151.11157	2.6
151.14902	3.7
159.11699	16.2
161.13240	12.3
163.06010	14.4
163.14787	16.4
165.12695	4.0
173.13248	15.2
175.14853	4.7
177.12733	2.8
177.16409	6.5
179.14247	4.0
187.14818	11.2
201.16312	4.3
205.15926	2.3
213.02295	1.8
215.17882	2.4
233.22580	4.6
243.21103	37.6
250.94482	2.1
261.22153	100.0
279.23199	5.0
335.25757	35.4
353.26898	42.7
479.30215	1.8
497.31186	6.8
677.35107	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	677.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.05512	2.7
56.01317	0.6
56.22207	0.5
57.03446	2.1
57.07068	0.6
61.02931	6.1
67.05511	14.5
69.03441	2.1
69.07076	3.1
69.25278	5.3
71.04983	1.1
73.02925	4.4
78.77684	0.5
79.05499	9.2
80.04684	0.5
81.03424	2.6
81.07063	15.4
83.04992	1.6
83.08625	1.8
85.02914	5.9
85.06543	0.8
91.03971	4.2
91.05479	6.3
93.07050	12.1
95.04980	1.7
95.08618	9.8
97.02905	4.5
97.06548	1.5
99.04478	0.9
101.02412	1.9
103.03920	0.8
105.04578	0.6
105.07039	4.1
107.08595	6.2
109.10172	4.7
117.07079	1.8
119.08579	3.7
121.10161	5.8
123.11707	1.5
126.97386	0.6
127.03925	1.6
131.08600	2.5
133.10130	3.5
135.11691	3.7
137.13324	1.1
139.11151	0.7
145.04990	1.6
145.10202	1.9
146.80737	0.7
147.11717	2.4
149.13298	4.6
159.11722	2.7
161.13297	2.3
163.06065	1.2
163.14850	1.6
171.11702	1.4
173.13332	1.6
175.14832	0.6
187.14865	1.1
207.13901	0.9
235.13043	1.1
243.08554	2.7
243.21001	3.3
247.13188	2.0
261.22174	11.5
281.17648	0.8
306.52203	0.7
335.25830	3.8
353.27072	5.1
453.20972	7.9
465.20935	7.4
471.32034	0.8
479.30176	0.7
492.54288	0.7
497.31287	1.2
587.21033	0.8
677.35101	100.0
678.35272	3.2
693.22943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10884	0.2
53.00301	0.2
53.03954	0.2
55.05521	0.3
65.03943	1.6
67.05516	1.0
69.03448	1.0
70.92275	0.2
70.92602	0.2
83.04993	2.9
85.02926	1.0
87.00829	0.1
91.05492	10.4
93.03426	1.3
95.04971	1.8
99.00813	1.5
107.04994	0.2
111.04452	4.0
117.01875	0.4
119.04957	26.0
121.02889	0.6
129.05508	1.4
139.03908	2.0
142.31024	0.1
147.04428	100.0
148.04764	0.9
157.04982	1.8
163.03957	0.2
165.05507	0.4
168.30733	0.2
175.06009	0.8
195.08034	0.2
197.09705	0.2
201.72833	0.1
209.04576	0.2
213.09213	0.3
223.07478	0.3
227.05420	0.3
236.92390	0.1
237.09187	0.4
241.08687	0.2
265.08615	0.3
273.06085	1.7
283.09659	0.2
293.07907	0.2
303.08719	1.6
311.09290	0.2
321.09726	2.6
429.10126	0.2
447.11383	3.1
467.07422	0.2
467.13449	2.3
481.43036	0.2
485.13702	0.2
536.51324	0.2
647.00269	0.2
667.56653	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	677.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.1
55.34559	0.1
58.52171	0.1
63.02385	0.1
65.03943	1.7
67.05514	0.3
67.31107	0.1
67.71858	0.1
69.03442	0.2
69.42461	0.1
70.02286	0.1
70.02679	0.3
83.04570	0.1
83.04985	0.7
83.14226	0.1
85.02895	0.2
91.05493	11.2
93.03409	0.3
95.04977	0.6
96.05322	0.1
96.96379	0.1
99.00826	0.4
111.04456	1.1
119.04961	26.1
120.05291	0.1
121.02880	0.2
129.05537	0.5
139.03928	0.5
147.04430	100.0
148.04749	0.8
157.05077	0.5
160.47951	0.1
165.05501	0.6
211.15126	0.1
237.09203	0.1
273.05936	0.5
303.08658	1.4
321.09750	3.3
389.77310	0.1
447.11304	1.0
467.13452	2.5
652.33167	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	676.391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.01864	3.0
55.05519	11.3
57.03431	4.8
57.07072	1.4
58.31314	1.4
61.02921	3.9
65.03955	1.2
67.05510	29.0
69.03423	4.1
69.06794	1.1
69.07079	13.4
69.16356	11.9
71.04981	2.2
73.02926	1.1
79.05501	20.3
81.03418	4.4
81.07065	48.1
83.04974	5.4
83.08624	8.0
85.02927	5.3
85.06555	3.8
86.09664	1.2
86.31745	1.1
91.03967	2.7
91.04974	1.9
91.05491	21.7
93.07062	19.3
95.04981	5.9
95.08607	15.6
97.02879	2.9
97.06554	6.6
97.10175	6.8
98.20789	1.9
99.08094	2.0
100.51184	0.9
105.07041	23.1
107.04974	2.5
107.08607	13.3
109.06530	4.5
109.10159	4.8
111.08082	1.7
112.06700	1.0
115.05499	1.0
117.07019	7.5
118.01428	1.1
119.08591	18.2
121.06513	3.0
121.10168	11.9
121.19362	1.2
123.04443	3.6
123.08097	2.5
123.11722	10.4
125.09635	4.7
127.03922	1.8
129.07028	5.4
131.07710	1.4
131.08594	10.8
133.06500	1.7
133.10129	7.4
135.08047	2.3
135.11708	3.3
137.09657	1.3
139.03909	5.2
141.07033	2.5
143.08591	5.8
145.06465	1.6
145.10100	6.4
147.04462	1.6
147.08034	3.7
147.11703	25.6
149.09633	2.1
149.13304	2.3
151.11217	1.4
155.08556	3.2
156.77821	1.2
157.10114	4.6
159.08092	1.6
159.11734	5.2
161.09666	1.6
165.12764	7.9
167.08531	2.0
169.10138	4.2
171.11713	3.4
173.04539	1.3
173.13303	3.0
175.11203	2.7
181.10144	1.8
183.11755	2.6
184.07387	1.6
185.13260	1.4
187.14792	1.3
189.11227	1.8
189.12718	1.5
193.12280	3.3
195.11790	1.5
197.13257	1.7
199.14827	1.5
207.11670	1.3
209.13284	2.8
211.11333	1.2
211.13234	1.5
217.15819	1.5
227.12802	1.3
228.16119	2.1
239.14381	2.1
253.15813	1.5
258.63150	1.1
267.15979	12.8
269.17450	3.3
271.16827	1.8
323.23749	1.2
333.22150	1.3
341.24716	3.4
343.22745	2.0
345.10516	1.1
351.23163	7.1
359.25916	2.4
361.23727	1.9
363.97598	1.2
369.24271	9.0
387.25266	9.8
405.26337	4.4
417.26337	2.7
425.26904	2.6
433.29413	1.8
443.27994	31.3
461.29034	100.0
462.29483	2.5
479.30124	65.6
658.26263	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01878	3.0
55.05521	10.3
57.03441	11.1
57.07092	1.3
61.02921	4.4
64.33759	1.1
65.03931	1.2
67.05509	32.3
69.03426	2.8
69.07074	10.5
71.01368	1.3
71.04989	5.0
71.54223	1.8
73.02924	2.2
79.05496	24.5
81.03422	38.8
81.07062	43.9
82.35934	1.0
83.04980	7.1
83.08623	15.7
85.02922	5.3
85.06547	2.5
87.04467	1.2
91.03944	2.6
91.05491	25.3
93.07055	30.1
95.04980	13.7
95.08602	12.5
97.02893	4.3
97.06524	12.3
97.10167	3.3
98.79932	1.0
99.08094	1.4
99.41945	1.1
103.69794	1.1
105.04581	1.0
105.07029	13.8
107.04951	4.9
107.08602	14.5
109.06539	3.8
109.10155	6.6
111.08077	7.9
115.98390	1.0
117.06999	6.4
119.08584	11.4
121.06501	2.7
121.10144	13.6
123.08109	2.7
123.11702	3.8
125.09637	1.7
128.06229	1.0
129.07007	5.3
131.08582	11.4
133.06577	1.6
133.10150	9.7
135.08064	3.2
135.11690	4.9
137.09621	2.1
139.11174	3.1
143.08476	1.4
145.10127	2.4
147.08064	1.8
147.11682	11.4
149.09605	4.5
149.13258	12.3
157.10130	9.1
159.10521	1.4
159.11687	7.0
165.12772	4.4
175.11212	7.7
177.12759	4.7
184.07368	2.3
185.13298	1.1
189.11269	1.4
193.12260	14.2
195.13812	8.4
211.13351	4.6
213.14946	3.6
217.15930	1.2
227.12859	1.3
229.14410	2.6
249.14821	1.2
267.15918	53.2
268.16205	1.2
269.17493	42.5
285.16968	8.6
351.23358	1.7
363.21637	1.3
369.24545	1.7
405.26352	1.3
423.27457	1.3
433.29779	1.4
443.28116	9.0
461.29010	100.0
462.29175	2.5
479.30060	56.2
480.30078	2.0
497.31110	16.3
641.34753	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
54.86070	1.2
55.01862	3.7
55.05516	10.7
57.03449	11.8
61.02903	4.5
65.03954	1.1
67.05513	35.9
68.62566	1.2
69.03425	2.8
69.07072	10.8
69.34747	8.1
69.35163	2.8
71.04990	4.9
79.05499	27.7
81.03424	40.1
81.07063	50.4
83.04986	9.1
83.08630	17.4
85.02930	6.0
85.06543	3.9
91.03973	2.9
91.04984	1.8
91.05493	23.3
93.07053	29.8
95.04979	15.1
95.08614	14.2
97.02893	3.6
97.06554	11.3
97.10170	4.8
98.20785	2.1
99.04483	1.1
99.08090	2.9
105.07037	14.4
107.04944	5.4
107.08605	18.0
109.06516	4.2
109.10147	4.8
111.04488	1.1
111.08073	6.4
117.07030	7.3
119.08601	11.0
121.06512	4.0
121.10158	13.4
123.08067	4.0
123.11719	4.4
123.55879	1.1
125.09658	2.1
127.03922	1.6
129.05531	1.4
129.07010	4.5
131.08580	12.0
133.10143	9.6
135.08037	2.4
135.11688	5.3
137.09627	1.5
139.11171	1.3
143.08624	1.8
145.10138	2.8
147.08041	2.5
147.11696	10.1
149.09613	4.9
149.13266	11.7
151.11121	1.5
157.10120	6.4
159.11719	7.5
165.12758	3.4
165.29086	1.2
175.11198	6.3
177.12721	5.1
193.12259	14.5
195.13779	8.1
211.13269	5.7
213.14828	3.2
227.12849	1.7
267.15927	49.7
269.17487	49.2
285.16968	9.5
369.24283	3.2
387.25235	1.5
433.29300	1.4
435.27301	1.7
443.27972	6.9
461.29028	100.0
462.29068	2.9
479.30109	55.7
480.30255	1.9
497.31052	17.6
605.32794	1.5
623.33911	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01859	1.9
55.05515	6.6
57.03437	3.1
59.85062	0.4
61.02924	2.9
65.03934	1.2
67.05508	18.0
69.03413	1.8
69.07065	6.8
71.04989	1.6
71.54305	0.6
71.54718	0.5
73.02930	0.8
73.06535	0.6
79.05493	14.0
81.03426	4.5
81.07059	29.1
83.04979	3.2
83.08616	5.9
85.02907	4.0
85.06535	1.6
91.03960	1.3
91.05484	15.7
93.07049	13.8
95.04959	3.7
95.08615	9.9
97.02892	2.2
97.06534	4.0
97.10173	2.3
98.54489	0.4
99.08080	1.4
105.07034	16.9
107.04925	2.6
107.08593	9.2
109.02852	1.0
109.06549	2.8
109.10160	3.4
111.04426	0.8
111.08060	1.3
115.05437	0.5
117.07001	4.1
119.08580	11.8
121.06506	2.1
121.10143	7.5
123.04411	0.7
123.08068	1.7
123.11702	5.1
125.09653	2.6
127.03877	0.5
127.07595	0.6
128.06151	0.7
129.07011	4.5
131.08575	7.5
133.06520	2.2
133.07343	0.4
133.10135	5.7
135.08035	1.8
135.11699	1.5
137.05936	1.0
137.09598	1.3
141.06987	1.7
143.08588	3.4
145.06488	1.6
145.10095	3.9
146.93552	0.4
147.08073	2.1
147.11688	13.8
149.09616	1.3
149.13268	2.0
151.11153	0.7
155.08580	1.9
156.09366	0.5
157.06456	0.7
157.10182	3.7
159.08060	1.4
159.11714	2.6
161.09575	1.2
161.13354	0.6
163.11171	0.7
165.12753	4.1
167.08606	0.6
169.10120	1.6
171.08067	0.7
171.10367	0.5
171.11655	2.3
173.04424	1.2
173.09625	0.8
173.13268	1.4
175.11218	2.1
175.58609	0.4
177.12775	0.7
181.10095	0.5
183.11725	1.8
184.07327	0.5
185.09680	0.4
185.13243	1.5
187.11194	0.9
189.11214	1.1
189.12762	0.6
191.10646	0.5
193.12302	1.8
195.13754	0.5
197.13318	1.1
199.11284	0.8
199.14804	1.0
201.12650	0.6
207.11775	0.5
209.13283	0.6
211.13202	1.0
211.14969	0.7
213.12674	0.7
215.14372	0.7
217.15921	1.2
223.14877	0.4
225.12741	0.8
257.15195	0.6
267.15887	9.5
267.29419	0.5
269.17450	2.6
285.16904	0.9
323.23758	0.7
341.24631	2.1
351.23108	3.4
359.25931	1.4
369.19604	0.4
369.24173	6.7
387.25290	6.3
405.26367	1.5
415.28275	0.9
417.26071	0.4
425.27106	0.6
433.29443	3.5
443.27982	14.1
461.29001	100.0
462.29309	2.2
479.30048	21.8
479.36951	1.0
480.30008	0.5
485.28995	2.4
503.30188	2.7
527.30267	0.6
551.30103	1.0
569.31110	0.9
587.31989	1.3
605.33197	1.2
623.34174	1.2
676.41119	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	676.39
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48355	0.6
53.03934	1.8
55.01852	1.7
55.05511	9.2
55.39358	0.7
57.03441	8.0
59.05002	0.6
61.02917	3.2
65.03936	1.4
67.05505	27.4
69.03414	2.2
69.07066	8.8
70.72007	0.8
70.72324	0.9
71.04987	3.5
73.02904	1.1
79.05493	21.1
81.03418	31.9
81.07056	36.8
83.04974	8.3
83.08622	15.4
84.74537	0.6
85.02433	1.3
85.02907	14.1
85.06536	1.9
91.03957	1.3
91.05481	19.8
93.07047	23.6
95.04971	13.2
95.08603	11.9
97.02899	3.6
97.06522	5.2
97.10162	1.7
99.08056	0.7
102.06927	0.6
105.07034	11.1
107.04980	3.0
107.08591	13.1
109.06507	2.2
109.10157	2.8
111.04469	0.9
111.08104	6.8
113.06006	1.1
115.05421	1.1
117.07008	4.4
119.04948	0.6
119.08591	8.2
121.06482	1.3
121.10150	8.5
123.08080	1.2
123.11702	2.9
125.09614	0.8
129.06995	4.3
131.08551	8.4
133.06462	1.4
133.10135	11.4
135.08072	0.9
135.11719	4.0
135.12617	0.7
137.09515	0.7
142.07790	1.9
145.10138	0.9
147.08041	1.1
147.11676	7.5
149.09653	3.8
149.13280	8.4
151.11159	0.8
157.10123	7.2
159.11729	3.5
160.27145	0.6
163.11183	0.9
165.12729	2.0
165.61826	0.6
175.11188	6.5
177.12769	2.2
193.12247	20.4
195.13792	5.3
199.99730	0.6
211.13283	29.2
267.15930	14.9
267.18173	0.4
269.17477	39.2
285.16965	31.8
443.27908	1.8
461.28979	26.0
470.15265	1.0
479.30038	100.0
480.30432	2.6
483.15976	1.2
484.16931	1.4
497.17972	1.5
498.18567	4.4
512.19977	0.8
537.04010	0.7
645.24860	1.3
676.26740	14.3
677.26807	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01869	1.8
55.05513	12.1
57.03443	7.4
57.07075	2.6
61.02928	17.3
65.03941	1.0
66.64013	0.9
67.05511	26.7
67.05875	1.3
67.31021	0.9
69.03427	4.5
69.07069	12.6
69.16521	10.4
70.30387	0.8
71.05004	2.5
71.08614	1.1
73.02920	7.5
75.04487	1.0
77.03932	1.3
78.60651	0.9
79.05499	36.2
79.56721	1.0
81.03421	8.9
81.07061	31.7
83.04977	3.1
83.08618	6.5
85.02438	1.8
85.02909	21.5
85.06550	2.6
86.95133	0.9
91.03970	14.8
91.05486	32.0
93.07052	50.6
95.04971	6.7
95.08616	20.8
97.02902	11.5
97.06540	4.1
97.10176	2.3
99.04444	2.5
99.08087	2.0
101.02289	0.9
105.07044	33.3
106.44351	1.1
107.05003	2.3
107.08599	27.8
109.06528	2.7
109.10157	8.8
111.08081	2.8
113.09611	1.4
115.03943	1.2
115.05476	1.3
117.07018	10.7
119.08590	31.7
121.06511	2.3
121.10150	21.9
123.08106	1.9
123.11700	1.7
125.09655	1.7
127.03933	4.2
128.06207	1.2
129.07021	8.3
131.08572	14.1
133.06525	1.3
133.10144	25.2
133.11110	2.2
134.59822	1.2
135.08086	1.6
135.11697	17.4
137.09650	2.4
139.03975	1.0
141.07018	1.6
142.07864	1.7
143.08600	8.8
145.04956	6.3
145.06483	1.3
145.10136	17.3
147.08049	1.9
147.11700	24.1
149.09592	2.4
149.13274	13.4
151.11227	1.3
155.08562	2.6
157.10146	9.6
159.08092	1.6
159.11687	13.1
161.09587	1.3
161.13269	19.5
163.06049	6.9
163.11209	2.5
163.14868	4.8
165.09308	1.2
169.10056	2.1
171.11690	8.4
173.09686	1.5
173.13272	9.3
175.11203	3.9
175.14842	10.9
177.12816	2.5
179.10698	1.3
181.10179	1.7
183.11717	2.5
185.13272	8.4
187.14842	2.5
189.12775	2.5
193.12323	1.8
197.09535	1.3
197.13222	2.5
199.14832	4.3
203.14388	1.5
209.13324	2.5
213.16435	2.0
215.18028	1.7
217.16084	1.6
217.19542	3.7
231.17500	1.7
231.21033	5.1
241.19531	21.5
259.20590	51.7
267.15945	2.7
269.17557	3.2
271.20520	1.6
273.22244	1.4
277.21609	7.0
285.17014	2.4
289.21588	1.1
295.20663	1.4
301.21555	1.5
333.24261	10.0
349.23825	1.8
351.25314	100.0
352.25650	1.8
361.23929	1.3
363.25244	4.3
367.22656	3.1
375.25153	4.9
385.23761	1.8
387.25327	2.2
393.26273	1.5
403.24649	2.1
417.26279	3.3
423.25116	2.0
441.26306	9.1
459.27402	9.1
460.27756	2.2
461.28928	2.5
477.28546	8.2
478.28845	2.6
479.30133	6.7
495.29721	9.4
621.31958	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59666	0.7
51.85531	0.7
53.03935	3.2
54.08750	0.7
55.01861	2.4
55.05513	12.9
57.03439	14.5
57.07081	1.0
61.02940	3.9
61.03183	0.8
65.03935	2.3
67.05507	42.0
69.03426	3.1
69.07070	13.8
70.68835	1.2
71.04993	5.0
71.08633	0.8
73.02917	1.3
79.05495	29.8
81.03419	41.4
81.07059	54.8
83.04984	10.6
83.08620	20.9
85.02911	14.5
85.03387	1.5
85.06535	2.9
91.03944	1.4
91.05485	27.2
93.07046	40.2
95.04969	15.8
95.08605	14.4
97.02883	3.4
97.06528	9.2
97.10176	3.1
99.08124	1.7
105.07028	14.4
107.04957	3.6
107.08598	19.7
109.06504	4.0
109.10137	3.3
111.04498	2.1
111.08082	10.7
113.00288	0.7
113.06025	1.5
113.09650	1.1
115.05502	1.3
117.06989	4.9
119.08590	10.6
121.06500	2.3
121.10144	15.5
123.08074	2.1
123.11710	2.9
125.09648	1.2
129.07007	4.5
131.08588	11.5
133.06520	1.0
133.10133	11.2
135.08067	1.2
135.11694	4.4
137.09604	1.1
139.11169	1.1
142.07780	1.3
145.10112	1.2
147.08064	2.3
147.11688	9.6
149.09621	3.4
149.12070	1.1
149.13260	19.6
149.14386	1.4
151.11127	1.4
157.10132	9.4
159.06250	0.8
159.11681	7.8
165.12752	1.1
174.82256	0.7
175.11191	9.7
177.12749	3.1
188.09119	0.7
193.12250	26.1
195.13832	8.7
196.50661	0.8
211.13297	32.0
213.14799	0.9
249.14861	1.4
267.15927	19.8
269.17484	76.3
270.17856	1.6
285.16983	27.6
293.23395	0.7
435.27661	1.2
461.29001	40.3
462.29379	1.0
479.30060	100.0
480.30301	3.7
497.17563	1.0
653.46155	0.9
676.26819	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	674.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75246	0.9
53.03944	6.6
54.07716	1.0
54.57857	0.9
55.01871	4.4
55.05270	1.2
55.05514	17.3
57.03440	14.7
61.02905	1.4
62.77135	0.9
65.03926	2.0
67.05505	31.7
69.03432	14.5
69.07064	8.6
70.08192	3.4
71.04988	7.4
73.02911	1.1
74.67646	1.2
77.03918	1.3
79.05074	1.7
79.05496	28.1
81.03421	100.0
81.07061	36.9
83.04985	26.6
83.08618	30.8
85.02431	1.7
85.02909	23.8
85.06541	2.4
87.04453	1.0
91.05483	40.8
93.07045	24.2
95.04971	27.3
95.08614	13.4
97.02895	19.1
97.06521	7.6
97.10172	6.5
99.04445	3.5
99.08083	2.2
101.02377	1.1
105.07032	27.2
107.04962	10.8
107.08592	11.7
109.02891	8.6
109.06524	5.9
109.10146	3.9
111.04444	10.7
111.08073	13.2
113.05983	2.4
115.05423	1.5
117.07039	4.1
119.04905	1.4
119.08595	23.8
121.06493	3.1
121.10150	15.4
123.04456	0.9
123.08052	3.1
123.11700	3.7
125.09614	2.9
127.03927	8.8
127.07583	1.2
129.05453	3.7
129.06987	15.7
129.93053	0.9
131.08582	19.3
133.06454	3.2
133.10139	13.5
135.08026	2.7
135.11678	3.9
137.09592	2.8
142.07732	2.3
143.08598	1.4
145.06503	1.7
145.10110	5.7
147.04402	1.0
147.08041	3.8
147.11694	23.1
149.09625	9.7
149.13217	2.9
153.12718	1.6
157.10127	22.1
161.05930	1.3
161.09636	1.0
163.11221	6.2
165.12822	6.1
173.04436	1.7
175.09767	1.9
175.11189	20.7
177.12790	1.5
181.12199	2.6
185.24683	1.0
185.80627	1.2
191.10655	2.0
193.12256	61.5
209.11720	1.7
211.13295	80.5
221.50508	0.9
227.12674	2.8
227.14577	1.6
229.14421	2.5
233.15359	1.8
237.82951	1.0
249.14864	2.2
267.15927	45.9
269.17471	4.3
273.14795	2.9
283.15350	4.9
285.16962	60.8
291.15875	1.5
301.14465	3.0
319.15399	2.0
321.75073	1.2
337.16513	2.8
355.17444	4.0
367.22644	3.8
385.23727	3.4
392.50214	1.1
393.19168	1.8
403.24908	2.0
411.20145	5.2
429.21219	20.6
433.26028	1.5
441.26587	1.1
452.14322	1.1
459.21201	2.1
459.27429	39.0
459.33939	2.0
460.27417	1.1
477.28479	57.3
478.29022	1.8
495.29550	48.2
511.27692	1.0
529.31738	1.2
585.30469	1.7
597.05225	1.1
603.31891	4.9
621.32635	9.1
639.33728	40.6
640.34583	2.4
660.07483	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01865	2.4
55.05516	8.6
57.03440	10.6
59.05003	0.7
59.13174	0.6
61.02937	3.0
65.03930	1.1
67.05511	15.0
69.03421	3.6
69.07068	3.8
70.96973	1.1
71.04996	3.2
73.02916	1.0
77.00517	0.5
79.05073	0.9
79.05499	16.0
81.03420	66.2
81.07057	15.9
83.04988	8.4
83.08621	18.1
85.02907	12.0
85.06522	1.8
91.03946	1.2
91.05482	20.6
93.07050	10.7
95.04972	22.3
95.08602	6.9
97.02896	4.8
97.06521	1.8
97.10162	3.8
99.08061	1.0
105.06325	0.9
105.07030	16.1
107.04958	6.7
107.08596	5.8
109.02908	0.7
109.06516	3.6
109.10191	3.4
111.04430	1.8
111.08086	7.1
113.06015	1.0
115.05440	1.4
115.06213	0.6
117.07008	1.8
119.04910	0.8
119.08582	12.4
121.06511	2.9
121.10147	5.8
123.04400	1.1
123.08067	3.1
123.08847	0.7
123.11736	0.8
125.09634	1.7
128.06128	0.6
129.07010	9.1
131.08569	8.7
133.06514	3.3
133.10144	6.7
135.08026	1.1
135.11723	0.6
137.09610	1.2
141.06978	0.7
142.07773	3.1
145.06464	2.8
145.10117	1.9
147.08041	3.1
147.11679	10.0
149.09642	5.4
155.08565	0.7
157.06454	0.7
157.10147	8.8
161.09618	1.1
163.11172	1.5
165.12743	1.8
169.10133	0.8
171.08055	0.7
175.11168	10.4
185.13245	0.8
189.11279	1.0
193.12256	31.2
195.08040	0.5
197.13297	0.6
205.12207	0.8
211.13301	24.1
215.14336	0.6
223.13351	1.1
225.16418	0.6
227.12718	0.8
228.23279	0.7
229.14278	1.4
233.15369	0.8
241.16083	0.8
249.14926	3.1
255.13832	1.8
259.13208	0.8
267.15927	100.0
268.16110	1.2
269.17380	1.4
273.14874	3.7
283.15411	0.9
285.16989	29.1
286.17072	0.6
301.14383	1.2
309.16852	0.6
323.18735	0.7
339.23138	0.6
341.20963	1.1
349.21652	2.2
367.22729	9.3
385.23718	12.3
403.24762	3.2
405.24252	1.3
415.24808	1.4
433.25882	14.4
441.26425	5.0
449.02557	0.6
459.27451	58.7
460.27881	1.5
468.82294	0.6
477.28494	41.2
501.28665	1.0
519.29590	1.6
573.30457	0.9
603.30634	0.8
621.32458	0.9
661.86517	0.7
671.04553	0.7
674.35803	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.3
55.05257	0.7
55.05515	7.2
57.03442	9.0
57.37730	0.4
61.02935	2.6
61.13451	0.4
65.03947	1.3
67.05511	15.7
69.03434	2.8
69.07076	3.1
69.42577	3.1
71.01380	0.6
71.05000	2.7
73.02917	1.2
76.25571	0.4
78.16038	0.3
79.05499	14.9
81.03424	61.2
81.07064	14.7
83.01348	0.7
83.04984	6.4
83.08625	15.1
85.02909	10.6
85.06547	1.0
87.04476	0.5
91.03960	0.8
91.05486	17.2
93.07050	10.9
95.04977	19.9
95.08607	6.6
97.02888	2.7
97.06548	1.9
97.10188	3.3
99.08096	0.7
100.29972	0.4
105.07039	13.1
107.04961	6.3
107.08599	6.6
109.06519	2.5
109.10172	2.2
111.04459	1.4
111.08089	5.9
113.06005	0.5
115.05444	1.6
117.07022	1.9
119.04993	0.6
119.08583	12.5
121.06506	2.3
121.10144	5.8
121.10929	0.6
123.04422	0.7
123.08070	1.6
123.11735	0.6
125.09640	1.5
129.07014	7.7
131.05003	0.6
131.08585	8.3
133.06523	2.4
133.10141	5.2
135.08041	0.6
135.11702	1.0
137.05966	0.5
137.09634	1.2
142.07799	2.1
143.08583	0.8
145.06482	2.7
145.10170	3.0
147.08051	2.8
147.11696	8.2
149.02333	1.0
149.09613	4.8
149.13326	0.7
153.09125	0.5
155.08607	0.5
157.06479	0.7
157.10162	9.4
159.08069	0.5
159.11722	1.0
163.11176	2.3
165.12804	2.0
171.11664	0.5
175.11195	9.8
185.09711	0.5
185.13182	0.5
187.14738	0.5
189.11240	0.7
193.12257	23.9
195.11668	0.6
195.13716	0.7
197.13281	0.8
199.11086	0.4
211.11325	0.9
211.13307	13.8
213.12746	0.9
228.23039	0.5
229.14346	0.9
249.14832	1.6
255.13979	1.0
259.13269	0.4
267.15927	100.0
268.16214	1.3
269.17572	2.2
273.14890	2.3
283.15430	3.7
285.16989	17.9
287.16669	0.5
293.49277	0.5
301.14410	1.2
309.16852	0.6
339.23373	0.8
341.21143	1.0
349.21701	2.6
367.22702	7.5
385.23755	8.3
403.24857	2.1
405.24249	0.7
415.24750	0.7
423.25177	0.5
433.25882	10.3
441.07462	0.4
441.26294	5.6
459.27444	53.6
460.27573	1.6
477.28519	51.7
478.29123	1.1
491.57190	0.5
501.28775	0.8
519.29388	1.8
585.30322	1.0
674.34467	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.7
55.01867	5.8
55.05512	23.7
57.03433	6.5
57.07065	3.9
63.31036	1.9
65.03940	6.0
67.05505	89.7
69.03425	39.9
69.07073	26.0
71.04990	7.6
79.05495	66.8
79.65658	1.9
81.03415	32.7
81.07056	100.0
83.05000	13.9
83.08620	16.3
85.02910	3.1
85.06541	5.9
91.05481	60.9
91.06023	4.0
93.07045	73.5
95.04968	15.9
95.08606	45.1
95.09186	3.9
97.02902	7.2
97.06545	13.7
97.10157	4.8
99.04456	2.9
99.08118	1.9
105.07031	44.6
107.04947	6.1
107.08601	42.8
107.86070	1.9
109.02875	7.3
109.06525	9.0
109.10162	15.7
111.04440	9.0
111.08104	6.5
117.07022	24.6
119.08581	27.2
121.06544	5.5
121.10141	27.8
123.04448	2.1
123.08067	4.9
123.11713	8.6
125.09661	3.1
127.03907	3.5
128.06221	3.6
129.06993	14.3
131.08569	30.3
133.06526	4.0
133.10138	27.9
135.08075	6.9
135.11699	16.5
137.05972	3.4
137.09619	4.8
141.07024	5.1
142.07806	4.1
143.08577	13.3
144.50343	2.1
145.06528	4.1
145.10126	19.6
147.08054	5.4
147.11696	17.8
149.09657	6.2
149.13284	13.8
151.11217	4.6
155.08517	3.3
156.09462	2.0
157.06494	2.1
157.10106	12.8
159.08075	5.6
159.11707	22.8
161.09644	2.6
161.13293	6.5
163.11232	4.1
165.12810	4.1
167.08540	4.3
169.10179	8.8
171.08142	2.3
171.11679	9.8
173.09702	6.2
173.13319	7.7
175.11205	3.2
175.14983	3.0
177.12785	7.7
181.10226	3.6
183.11734	7.1
185.09695	2.5
185.13326	8.6
187.14824	4.3
189.12737	3.1
190.88081	1.9
195.11870	4.2
195.13858	12.9
197.13295	3.6
199.14853	5.9
201.12793	3.4
205.12277	2.2
211.14966	2.4
213.12958	2.9
215.14354	3.2
217.15936	4.1
233.15385	4.2
257.15421	2.3
261.22229	3.9
267.15961	3.4
269.17447	22.7
277.21671	3.9
289.21716	2.6
301.21680	6.2
315.23392	2.8
327.23215	5.4
335.26044	3.8
339.18326	4.7
341.24649	4.4
351.23218	7.8
353.24884	2.4
369.24200	15.2
387.25397	7.5
395.20654	6.4
405.26563	3.4
443.27951	6.6
461.29095	11.9
463.80887	1.9
529.39075	5.7
595.40253	3.1
629.29865	4.5
637.40875	10.8
655.42249	12.6
673.43097	86.6
674.43494	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	673.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.0
55.01874	10.7
55.05518	28.2
56.18292	5.2
57.03438	6.7
57.07091	6.9
65.03934	7.5
67.05180	8.1
67.05514	99.5
69.03446	48.5
69.07079	29.9
69.87630	4.8
71.05001	10.7
71.06767	4.4
71.52773	5.5
79.05501	85.9
81.03429	34.6
81.07066	100.0
83.04986	12.9
83.08631	25.4
85.02887	5.1
85.06528	9.2
87.04447	4.5
89.06049	28.1
90.06398	4.4
91.05488	66.7
93.07058	88.3
95.04996	16.4
95.08633	52.2
97.02908	8.8
97.06557	9.9
97.10155	4.4
103.44488	4.2
105.07048	36.6
107.04945	10.3
107.08612	59.0
109.02898	5.7
109.06544	7.7
109.10172	17.9
110.03397	4.2
110.44236	4.0
111.04467	9.8
111.08095	7.3
115.05485	4.5
117.07029	35.0
119.08601	35.6
121.06512	5.2
121.10168	26.2
123.08070	5.0
123.11720	11.9
129.06990	11.0
131.08591	35.1
133.06464	6.6
133.08586	18.1
133.10170	26.3
135.08096	6.1
135.11705	16.8
137.09604	5.0
143.08572	12.4
145.06464	7.1
145.10117	19.8
147.08078	4.4
147.11716	13.9
149.09683	5.1
149.13333	22.7
151.11180	5.1
155.08621	6.3
157.10158	13.4
159.08015	6.9
159.11668	23.3
161.13338	8.4
169.10094	5.6
170.10951	4.8
171.11742	6.9
173.09634	5.2
173.13190	7.3
177.11325	6.2
177.12776	11.2
185.13164	6.3
195.13792	14.0
197.13330	6.6
213.12791	4.5
269.17554	29.2
270.09695	4.7
289.21658	5.4
301.21689	16.1
306.27234	5.6
319.22601	7.6
351.23117	12.9
368.56161	5.8
369.24396	15.6
387.25275	4.9
405.26257	5.7
443.27921	11.3
460.28329	8.0
461.29022	15.7
561.37732	5.9
606.17645	4.5
637.40076	7.7
644.90295	5.8
655.41663	13.7
673.43323	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18602	2.1
53.03941	7.5
55.01867	4.9
55.05267	2.2
55.05513	22.0
55.61349	1.9
57.03437	13.4
57.03664	2.3
59.05011	2.6
60.37092	2.0
61.02926	5.5
65.03934	4.1
67.05510	69.2
69.03436	19.5
69.07072	13.0
71.04999	31.0
79.05071	3.4
79.05497	41.6
81.03428	73.1
81.07063	100.0
83.04991	28.2
83.08636	26.5
85.02915	23.4
85.06542	8.7
91.03977	2.0
91.05489	51.8
91.64565	2.0
93.07047	34.9
95.04969	24.7
95.08616	19.5
97.02898	13.7
97.06519	8.5
97.10162	6.2
98.21535	5.1
99.04441	4.1
103.05473	2.1
105.07036	39.4
107.04962	12.2
107.08607	23.1
109.02877	8.1
109.06496	9.2
109.10159	12.9
111.04432	9.2
111.08064	8.1
113.06001	2.4
117.07021	7.1
119.08594	29.7
121.06506	4.3
121.10144	17.9
123.04421	2.2
123.08058	5.9
123.11725	17.1
125.09625	4.6
127.03931	8.3
129.05470	6.9
129.07004	9.3
131.08586	20.8
132.38510	2.3
133.06447	2.8
133.09230	3.5
133.10146	31.5
135.08029	4.2
135.11690	7.7
137.09613	2.8
139.03867	2.0
145.10103	7.0
147.08061	3.4
147.11694	20.2
149.09641	7.6
149.13257	9.0
151.11171	7.8
157.10121	14.4
157.40904	1.8
159.11694	8.6
163.11238	4.1
165.12805	5.2
173.04488	14.5
173.13344	2.4
175.11163	13.0
177.12846	2.7
183.13780	3.3
185.52957	2.6
187.13261	7.0
193.12251	30.3
195.13786	4.7
201.13028	2.2
201.14912	5.5
211.13312	41.2
221.43028	2.2
225.14798	2.5
243.15866	2.9
267.15970	17.0
269.17517	10.6
275.20142	13.4
285.16968	23.7
301.20062	3.5
339.17975	2.9
349.23892	9.7
397.57751	2.1
413.21738	3.3
417.26431	2.8
420.13681	2.0
435.27408	21.0
443.27811	3.2
445.24435	18.1
453.28485	36.7
461.28986	33.9
467.29861	8.8
477.28143	4.4
479.23550	3.3
479.30118	56.4
511.32709	27.3
517.14764	1.9
552.16083	2.5
605.33374	3.9
623.34265	17.6
625.84619	2.5
637.35175	3.9
655.36932	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	672.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78109	1.7
53.03941	2.6
55.01869	4.3
55.05513	55.3
55.96313	1.4
57.03418	2.5
57.06831	2.1
57.07076	29.1
59.04990	4.5
59.30558	1.4
65.03928	2.1
67.05505	100.0
69.03421	5.8
69.07071	16.3
71.04990	3.9
71.08631	22.3
71.53924	1.5
71.54321	1.9
79.05494	18.1
81.03399	1.5
81.07056	36.5
83.04970	5.2
83.08620	31.5
85.06539	4.2
85.10188	12.3
88.00351	1.4
89.06022	3.4
91.05476	9.5
93.07074	10.6
95.08073	1.6
95.08617	22.5
97.06496	2.0
97.09557	3.7
97.10174	63.2
101.05956	1.6
105.07030	2.1
105.76817	1.6
107.08583	20.4
109.06538	3.3
109.10159	66.0
111.08064	6.2
119.08559	4.7
121.10122	1.8
123.11683	2.8
125.09630	59.4
133.25862	1.5
135.08052	6.6
137.09660	2.3
143.10674	1.7
153.09090	6.4
155.10674	3.0
158.57304	1.3
165.12732	2.1
171.10158	4.4
173.11716	10.0
189.11223	35.0
189.12935	2.1
227.12782	98.4
229.14238	7.3
239.23820	3.4
274.20947	1.4
289.21619	2.9
313.27359	7.9
381.22699	32.7
399.23782	69.8
467.37347	64.0
468.37045	1.7
483.36774	57.3
484.37256	2.1
492.56921	1.6
624.83960	1.9
637.46765	57.7
638.46558	2.2
672.48651	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	672.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60023	0.4
53.03927	0.7
55.05511	5.2
57.03433	4.6
57.07077	41.0
61.02928	15.8
64.00395	0.4
65.03944	0.5
67.05505	11.3
69.03432	2.1
69.07070	8.8
71.04994	0.7
71.08633	31.8
73.02924	6.3
75.04490	2.0
79.05505	2.1
81.03413	1.7
81.07059	16.3
83.04966	0.7
83.08620	11.8
85.02905	16.4
85.06552	0.7
85.10184	17.8
89.06047	0.9
91.03960	13.6
91.05491	2.1
92.05811	0.6
93.07039	1.7
95.04978	1.0
95.08611	24.9
96.08951	0.6
97.02898	9.4
97.06556	0.5
97.10177	7.7
98.21571	0.7
99.04456	1.1
99.11716	1.1
103.07603	0.7
105.07021	1.0
107.08568	1.1
109.02902	0.7
109.06549	0.5
109.10163	12.2
111.11734	1.8
115.03951	1.0
119.08575	0.8
121.10134	1.0
123.11714	4.7
125.09599	0.5
125.13278	1.1
127.03934	5.2
127.14878	0.6
131.08592	0.8
131.21693	0.4
132.08888	0.4
137.13239	2.3
143.00647	0.4
145.04955	8.4
151.14853	0.8
163.06027	15.1
165.16441	0.6
218.39397	0.4
221.22653	1.4
239.23709	22.1
257.24789	3.9
273.77808	0.5
313.27374	100.0
314.27725	1.4
331.28430	54.1
332.28922	0.7
475.32559	0.9
570.70837	0.5
608.95807	0.4
636.39368	0.8
654.39960	0.5
672.41864	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	672.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.5
53.03951	1.9
53.04168	0.3
53.53537	0.3
55.01865	1.1
55.05515	5.7
57.03192	0.4
57.03445	3.6
57.07065	0.8
61.02928	0.7
65.03936	0.8
65.34582	0.3
67.05508	23.0
69.03416	0.5
69.06731	0.6
69.07076	7.6
71.05003	1.8
73.02926	0.6
73.06543	0.5
77.03911	0.5
79.05495	24.4
81.03416	3.0
81.07058	25.0
83.04992	4.6
83.08621	4.9
85.02932	0.8
85.06567	1.7
90.94237	0.5
91.05484	15.7
93.07047	28.9
95.04983	5.4
95.08614	9.1
97.02915	0.4
97.06534	3.8
97.10177	1.1
99.08070	0.7
105.04552	0.7
105.07027	10.8
107.04951	1.7
107.08598	11.3
107.97911	0.4
109.06528	1.7
109.10172	1.6
111.08093	1.9
117.07013	3.6
119.08589	6.0
121.06496	0.8
121.10149	5.7
123.08076	1.6
123.11713	0.5
126.21651	0.5
127.07563	0.4
128.06242	0.4
128.18312	0.4
129.07007	4.3
131.08588	2.5
133.10146	3.8
135.08041	0.7
135.11679	2.7
139.11189	0.6
143.08585	2.3
145.10127	3.0
147.08073	0.7
147.11685	10.3
147.12802	0.7
149.09529	0.4
149.13266	7.2
159.11671	3.4
161.09615	0.9
161.13278	3.6
163.11136	0.5
171.10262	0.7
171.11685	7.3
177.12747	1.3
184.33275	0.4
189.12764	3.1
195.13849	2.4
207.13791	7.2
213.28207	0.4
225.14885	0.7
229.16602	0.4
269.17480	22.6
281.17493	20.2
457.29617	1.0
475.30563	100.0
476.31113	1.9
601.89569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
53.03949	2.4
55.01867	1.2
55.05511	6.9
57.03444	3.9
57.07066	1.0
59.04995	0.5
61.02923	0.7
65.03940	1.0
67.05510	27.8
69.03424	0.8
69.07072	8.6
69.26391	4.0
69.69527	0.4
71.04984	1.7
73.02934	0.6
73.06525	0.4
73.41875	0.4
77.03929	0.6
78.65835	0.4
79.05499	28.8
81.03433	3.5
81.07063	30.8
83.04991	5.7
83.08627	5.8
85.02904	1.0
85.06550	2.1
89.44084	0.4
91.05489	20.3
93.07050	37.3
95.04979	6.8
95.08611	10.6
97.02892	0.9
97.06541	4.7
97.10157	1.9
99.04472	0.7
99.08089	1.1
101.36570	0.4
105.04527	1.1
105.07037	14.2
107.04971	2.2
107.08604	13.2
109.06530	2.7
109.10146	2.2
111.08073	2.4
112.35468	0.4
113.05974	0.5
113.09663	0.5
115.05437	0.8
117.07020	4.4
119.08601	7.9
121.06514	2.2
121.10159	5.7
121.10949	0.7
123.08071	1.8
123.11714	0.8
127.07597	0.5
128.06223	0.5
129.07004	5.0
131.08582	3.8
133.10127	4.8
135.08072	1.4
135.11674	2.6
139.11192	0.7
143.08574	3.0
145.10159	3.2
147.08020	0.8
147.11707	12.4
149.13281	9.2
150.40213	0.4
159.11676	4.1
161.09642	1.6
161.13261	3.3
171.11688	8.0
177.12744	1.4
187.06056	0.4
189.12817	3.1
195.13869	3.0
207.13797	8.1
225.14716	0.6
263.16602	0.6
269.17493	23.6
281.17493	21.4
327.55219	0.5
453.50409	0.4
457.29462	0.5
468.22369	0.4
475.30594	100.0
476.30960	1.7
501.78598	0.4
619.33807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.7
55.01873	6.9
55.05516	32.6
57.03445	11.5
59.04996	2.7
61.02929	2.5
64.76142	1.8
67.05507	32.2
69.03424	11.7
69.07070	7.8
70.47013	1.9
71.04990	8.3
79.05505	31.6
81.03426	52.4
81.07059	28.8
83.04985	16.9
83.08636	16.6
85.02907	6.1
85.06551	3.1
91.05496	20.0
93.07057	26.9
95.04985	26.6
95.08609	12.3
97.02905	8.0
97.06544	6.9
97.10181	26.6
105.07037	20.0
107.04964	18.1
107.08614	20.2
109.02827	2.7
109.06548	10.5
109.10177	8.1
111.04449	4.7
111.08099	7.8
114.04721	1.9
115.05453	2.4
117.07027	8.8
119.04944	2.5
119.08592	14.8
121.06514	14.6
121.10148	13.2
123.08135	5.0
123.11678	2.8
125.09647	23.2
129.05472	4.7
129.07025	8.3
131.04965	3.5
131.08609	13.6
133.06523	4.7
133.10139	5.5
135.08058	9.0
135.11758	2.4
137.09692	2.8
141.07025	2.1
143.08603	5.3
145.06516	7.9
145.10146	8.5
147.04483	2.6
147.08086	5.7
147.11696	6.8
149.09636	9.7
153.09116	3.6
155.08582	2.5
157.06519	3.6
157.10139	7.6
159.08075	4.1
159.11601	3.0
163.11224	4.3
165.12767	2.0
167.10643	2.9
169.10091	2.7
170.90721	1.8
171.07971	2.9
171.10248	2.5
171.11743	4.0
173.04488	3.3
173.09637	3.1
175.11197	9.9
181.10146	2.2
187.14818	2.2
189.11244	6.8
189.12819	3.2
193.12267	18.0
199.11259	3.5
199.13231	2.3
210.89055	2.3
211.13272	12.3
211.14999	2.3
213.12791	2.8
219.13867	4.8
227.12828	8.9
233.15347	11.6
249.15002	3.5
255.14020	2.7
261.14890	2.7
267.15900	26.0
273.14890	8.4
275.16342	3.4
285.17068	3.2
293.17389	2.9
339.23398	3.0
349.21713	7.5
367.22693	24.2
385.23788	30.4
403.24792	15.2
405.24020	2.2
429.21561	2.4
431.28162	2.7
441.26508	11.0
459.27460	100.0
463.21332	2.0
477.28531	99.3
478.28986	3.2
491.30197	23.8
492.29929	2.2
501.28497	2.3
509.30991	15.5
585.30664	2.3
603.31494	3.4
621.32520	7.5
653.35211	4.1
691.01996	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
67.05509	1.5
71.24685	0.8
71.25040	0.7
74.69711	0.6
78.20913	0.5
79.05499	0.8
91.05495	0.8
93.07054	0.5
95.04997	0.7
95.08617	0.7
103.35210	0.5
105.07014	0.6
109.06560	0.7
121.10234	0.7
131.08595	0.7
137.38405	0.5
138.13200	0.5
141.28735	0.5
164.44420	0.6
189.48940	0.6
190.98523	0.6
223.12329	0.7
247.12317	0.7
262.13574	0.7
300.15173	0.8
365.73233	0.6
367.19403	1.1
379.19574	1.1
381.16943	0.7
395.18658	1.4
405.08215	0.6
406.17627	0.7
409.20630	0.6
410.20706	0.8
419.22940	0.6
421.19995	1.4
422.20853	0.8
425.23624	0.8
431.18402	0.7
436.23145	0.8
437.23871	0.9
438.20465	2.9
439.21350	0.9
445.20175	1.2
446.21396	1.2
447.22009	1.1
449.19308	0.9
451.21973	0.8
452.22598	0.6
453.22943	6.1
454.23547	1.4
459.22037	1.1
460.22586	1.2
462.20450	1.0
465.22623	1.0
466.98038	0.6
467.24744	1.0
469.26276	1.8
470.28845	0.6
474.24423	1.8
476.22186	2.1
477.22794	1.9
479.20810	0.8
483.24002	1.0
495.24002	0.7
497.25363	3.3
501.23325	1.5
502.24423	2.6
503.20853	2.2
507.24399	0.6
510.26282	0.7
512.28009	3.4
521.22766	0.6
523.27191	0.8
525.25067	2.2
529.22467	1.3
530.23431	1.0
533.25488	2.3
535.25861	0.6
536.24353	1.0
538.25696	2.2
540.27466	6.8
545.25519	3.2
551.26563	2.3
561.24969	2.4
562.26141	0.9
563.26636	2.4
565.24469	0.7
579.26007	1.2
589.24701	4.7
593.28210	0.9
607.25531	0.9
611.27551	2.1
621.27576	0.9
627.28851	0.9
639.27917	7.0
653.29736	1.7
653.40454	0.6
663.85339	0.6
671.30786	100.0
672.31366	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28860	0.5
57.34223	0.5
63.90930	0.6
67.05508	1.4
70.58667	2.2
79.05506	1.1
81.07043	0.9
84.04509	1.1
85.67635	0.6
91.05433	0.8
105.07007	0.5
109.49902	0.6
119.08590	0.6
169.53632	0.5
193.34444	0.7
226.14658	0.6
237.13806	0.7
249.13972	0.7
302.13065	0.7
338.98196	0.5
351.16684	0.6
367.19327	1.6
380.20355	0.7
381.20999	0.8
393.21039	1.0
395.18884	1.4
407.18210	1.0
408.19839	1.0
409.20517	1.2
410.21210	1.2
421.20648	0.8
423.17758	0.8
438.20566	2.3
439.21313	1.5
446.20615	0.9
447.21927	1.6
451.21313	1.6
453.22995	6.8
454.23685	0.8
460.22549	1.3
461.23914	0.7
462.21103	1.2
465.22885	1.7
467.25031	0.8
469.26053	1.6
473.23755	0.9
474.24261	0.7
476.22220	1.1
477.23102	1.9
479.20883	1.9
483.24332	1.8
492.22488	0.6
493.22110	0.7
495.23807	0.9
497.25455	3.7
502.24377	0.8
503.21149	1.7
507.23886	1.0
508.25128	0.9
509.25604	0.7
510.26645	0.9
511.27271	0.9
512.27625	2.9
517.87354	0.6
521.22003	0.7
523.20129	0.8
525.25177	3.1
529.22540	1.0
533.25403	1.7
534.26282	0.8
535.26978	1.5
536.24329	1.1
537.24548	1.2
538.25879	3.1
539.26959	0.8
540.27466	7.6
545.25348	1.1
551.26831	2.7
561.24847	1.1
563.26666	3.1
579.25970	2.7
583.30255	0.9
589.24207	2.2
593.27570	2.1
607.25787	1.4
611.28607	2.6
639.28387	6.2
671.30750	100.0
672.30933	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.6
55.05482	1.5
67.05471	0.8
68.99786	3.0
69.40488	0.5
77.03900	0.9
79.05479	0.7
79.88917	0.5
81.03380	1.1
81.07031	1.5
83.08543	0.7
89.88345	0.5
90.38472	0.5
91.05482	2.4
93.07042	0.6
95.04918	1.1
95.08601	1.0
98.20616	1.0
103.05455	0.7
105.03339	1.8
105.07020	1.0
107.04932	1.5
107.08609	0.6
109.06474	0.6
109.10139	0.7
111.00768	0.8
115.05468	0.7
117.07052	0.5
119.04896	0.7
119.08555	0.6
121.02876	0.5
123.04388	1.2
127.03907	1.3
128.30309	0.5
131.04883	0.9
133.02873	5.0
134.03603	0.8
135.04390	1.6
139.03893	8.8
145.06467	1.4
147.04372	2.0
147.07970	0.6
148.01509	1.3
151.03873	1.7
153.01744	0.6
159.04382	1.5
159.07996	1.5
161.02312	3.4
163.03905	10.8
165.06987	0.8
167.08539	0.8
171.04344	1.5
171.07974	0.7
171.30455	0.6
173.05945	1.9
175.03908	0.9
175.07539	3.6
177.05434	0.7
179.03429	3.8
181.06468	1.0
183.04401	0.9
183.08014	1.1
187.03896	1.0
187.07547	0.6
189.05377	0.6
191.03397	32.9
192.04179	3.1
193.04799	0.5
195.08116	0.6
197.05977	1.3
199.03891	1.4
199.07507	0.8
200.04716	0.8
201.01865	0.7
201.05424	1.6
203.03384	6.1
203.07071	1.9
205.08621	0.8
209.05920	1.1
211.03928	3.5
213.05522	0.7
221.06015	1.1
225.05447	1.3
227.03305	1.9
227.06975	0.7
228.04178	2.0
229.04961	7.3
233.08087	58.6
237.05420	1.4
238.06221	0.6
239.03271	0.6
239.07028	0.9
240.07527	0.6
241.04918	0.9
243.06488	2.7
245.04405	3.2
249.05586	0.7
249.26941	0.6
251.07019	1.6
251.10718	2.1
253.04958	2.3
253.08592	8.4
255.02948	6.4
257.04437	1.6
261.05438	0.8
263.05518	1.8
265.04922	1.5
265.08575	0.7
267.06506	1.2
267.10083	1.0
268.07227	1.1
269.04489	3.5
271.06012	85.3
272.06372	1.1
273.03812	1.0
277.08548	1.0
279.06519	3.4
279.10007	1.3
281.11804	0.9
283.06018	7.3
283.09619	5.1
285.07440	0.7
287.05396	0.7
289.04813	0.9
291.06912	0.6
291.10126	1.2
292.07330	1.5
293.04596	1.4
293.08084	3.6
293.11484	1.2
294.05173	1.4
294.12546	0.9
295.06049	3.6
295.09723	2.4
297.07648	1.0
305.04486	3.3
307.05994	1.4
307.09668	4.6
313.07495	0.7
319.06049	1.0
319.09610	0.9
320.10574	0.8
321.11282	2.4
322.11850	2.6
327.06387	0.8
331.06046	1.4
331.09705	0.6
335.09219	3.8
336.09848	0.6
337.07028	11.3
341.08136	1.1
343.06009	1.0
344.06665	0.8
345.03940	1.0
347.05307	0.9
347.09152	1.9
349.10693	7.1
351.08722	1.4
355.06107	0.8
355.10083	0.6
356.06708	0.9
359.05304	1.3
361.06891	0.8
367.11774	60.6
368.12094	0.7
369.07578	2.1
371.05487	2.0
377.10220	9.6
379.07913	1.0
379.11832	11.4
380.12433	0.8
381.07693	0.7
385.06720	1.1
385.10980	0.8
387.08676	1.8
397.07080	1.6
399.04871	2.8
401.10471	1.2
403.11752	1.7
409.12802	73.3
413.05978	1.1
421.09567	1.1
423.05112	1.0
425.06293	0.8
427.11716	2.5
429.09784	5.6
439.12183	0.7
441.05655	4.4
443.11270	1.1
453.05231	0.8
453.10202	0.7
454.10141	0.7
459.27368	1.7
465.05524	0.7
471.10767	100.0
472.11465	3.0
477.28564	1.0
483.10776	11.3
485.12314	2.1
486.13721	0.6
495.10638	3.6
503.13443	19.0
515.13403	17.4
516.13525	0.6
517.14960	1.1
527.13391	5.0
545.14374	9.0
653.16565	35.3
654.16376	1.3
671.17566	95.0
672.18060	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	670.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.2
57.03438	2.0
60.72155	1.4
61.10321	1.5
67.05516	11.0
69.07062	3.7
71.52765	2.0
79.05515	9.8
81.03416	4.8
81.07072	12.2
83.08637	3.3
85.02912	3.1
85.36558	1.7
86.18527	1.5
88.94639	1.4
91.03933	1.6
91.05508	11.9
93.07036	9.7
95.08621	10.5
97.02921	1.4
97.10179	2.0
105.07058	10.1
107.04933	2.1
107.08593	5.8
109.10168	4.0
112.17696	1.6
117.07047	6.9
119.08584	5.6
121.06561	1.6
121.10163	6.2
129.07008	4.1
131.04887	1.4
131.08562	9.7
133.10139	6.3
135.11690	4.1
141.07040	2.2
141.70482	1.6
143.08557	4.2
145.06416	1.6
145.10118	5.3
147.11674	2.1
149.13281	2.0
155.08582	2.1
157.10161	2.6
159.11720	3.0
161.09685	1.7
163.06023	2.7
166.35120	1.7
171.11703	3.1
173.13243	2.1
197.13338	1.7
213.16270	1.9
219.21088	1.9
237.22198	6.5
259.51566	1.6
265.88873	1.7
311.25824	5.6
329.26831	6.3
335.24203	1.5
348.18900	1.6
353.24826	4.3
371.26031	3.7
389.26791	5.0
445.29565	100.0
463.30585	57.0
652.38287	2.1
670.25702	4.7
670.40021	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	668.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.01863	1.1
55.05512	6.2
57.03439	11.6
57.07064	1.0
59.04985	2.6
61.02902	1.6
61.20823	0.6
65.03927	1.9
67.05505	58.5
68.74757	0.6
69.03403	1.9
69.07039	2.2
70.45011	0.6
71.04971	2.4
73.02879	0.7
79.05070	0.7
79.05491	7.8
80.55471	0.5
81.03419	46.2
81.07065	12.6
83.04960	2.6
83.08623	14.0
84.08121	0.7
85.02882	2.2
85.06572	3.0
91.05479	11.5
93.06589	0.6
93.07046	7.5
95.04967	13.9
95.08610	7.0
97.02879	1.7
97.06500	1.6
97.10170	1.2
99.04419	1.0
99.08068	0.8
105.07028	6.2
107.04954	4.2
107.08582	4.3
109.06488	1.7
109.10159	58.3
111.04414	1.3
111.07512	0.5
111.08092	5.9
113.05976	0.7
117.06936	0.6
119.08588	10.9
121.06487	2.2
121.10129	3.2
123.04398	0.9
123.08049	1.0
125.09634	1.3
129.07037	5.5
131.08554	4.6
133.06480	1.5
133.10114	2.5
135.08086	0.9
137.09601	4.1
142.07739	0.8
145.10106	1.2
147.08026	2.7
147.11670	4.0
149.09622	2.8
149.98218	0.6
155.10663	5.7
157.10121	6.2
163.11157	1.0
165.12805	1.4
173.11743	15.7
175.11169	5.8
179.26242	0.8
185.13315	0.6
193.12257	16.6
207.04305	0.7
211.13339	1.5
229.14357	84.3
229.49184	0.7
230.14725	1.0
249.14871	1.3
267.15921	74.4
268.16229	1.3
311.19824	0.7
311.94684	0.7
329.21121	1.9
347.22400	0.8
403.24847	10.0
421.25854	100.0
422.26263	2.3
433.06879	0.6
463.26892	1.5
488.16040	0.6
529.28094	0.7
547.28680	1.4
581.89148	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01070	0.8
51.02377	1.2
53.03944	8.3
53.37693	1.0
55.01861	3.7
55.05271	1.1
55.05516	15.0
57.03440	9.5
57.07091	1.6
61.02889	1.0
62.00011	0.9
65.03924	2.0
67.05508	30.6
69.03432	13.1
69.07074	15.3
69.17718	4.7
69.18140	3.3
71.01366	1.9
71.04990	5.6
73.02896	1.0
77.20879	0.9
79.05499	29.0
80.61735	0.9
81.03423	100.0
81.07062	32.4
83.04985	17.5
83.08157	1.2
83.08620	15.9
85.02460	1.2
85.02916	20.1
85.06529	3.7
91.05489	28.3
93.06490	1.8
93.07052	29.3
95.04971	21.8
95.08607	18.1
97.02896	12.2
97.06533	7.2
97.10197	5.4
98.21532	2.1
99.04485	4.3
99.08080	2.0
103.04026	0.9
103.05442	1.3
105.07034	22.5
107.04964	7.8
107.08608	14.7
109.02892	20.2
109.06522	5.2
109.10164	8.1
111.04445	13.6
111.08099	7.1
113.05982	1.5
115.05433	1.0
117.07006	5.4
119.04973	1.8
119.08589	23.5
119.29650	0.8
121.06502	8.6
121.10145	11.8
123.04427	2.4
123.08057	5.0
123.11708	3.2
125.06013	1.1
125.09602	4.1
127.03929	8.1
128.06166	1.6
129.05478	2.3
129.07030	8.7
131.04944	1.4
131.08560	13.1
133.06493	3.4
133.10127	12.1
135.08069	3.4
135.11708	7.7
137.05957	1.4
137.09589	4.1
142.07767	1.6
143.08548	3.3
145.06445	2.0
145.10129	4.6
147.04469	1.2
147.08041	4.0
147.11703	9.1
149.06027	1.2
149.09630	4.8
149.13228	1.4
153.12767	2.1
155.08531	1.1
157.06531	1.0
157.10121	9.1
159.11725	3.7
159.92174	1.0
161.05952	1.1
161.09579	1.5
161.13327	1.4
163.11197	2.5
165.12715	2.2
169.10181	1.5
173.04448	3.2
173.09621	1.8
173.13220	2.3
175.11150	7.1
175.14835	6.0
177.12735	0.9
181.12160	2.1
181.15895	1.8
185.13232	5.4
191.10651	1.1
193.12242	19.8
193.15924	2.8
196.60249	0.9
203.14340	3.0
209.15350	1.8
211.13295	29.8
221.15376	29.4
221.16937	0.7
227.12727	3.0
239.16446	37.4
249.14804	2.5
255.15918	3.9
255.28571	1.0
267.13443	1.0
267.15964	14.2
273.14871	1.3
285.16934	6.7
295.19067	6.7
301.14355	2.6
301.17935	1.3
309.16895	1.0
311.18588	1.7
313.20151	8.0
319.15207	1.4
319.18716	1.2
329.17438	3.8
337.16400	2.0
340.84714	0.9
355.17615	1.9
360.08395	1.0
361.64148	0.9
365.19775	1.5
375.18018	1.3
383.20581	3.2
393.18878	2.2
395.25894	2.7
403.20947	1.3
411.19992	3.4
413.26968	4.4
421.22147	1.5
429.20926	1.5
431.27945	2.5
439.23468	1.8
457.24460	3.7
469.29660	1.3
487.30569	14.5
505.31616	22.4
523.32770	22.1
529.31702	1.3
547.32452	1.7
557.30750	1.5
589.33533	1.8
613.33252	3.8
631.35156	4.8
649.35931	19.5
667.37012	49.6
668.35956	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.3
55.01870	12.6
55.05511	28.7
57.03437	10.5
59.05006	2.9
61.02913	3.0
65.03938	5.1
67.05508	100.0
69.03431	28.0
69.07071	23.5
71.04994	9.4
71.27305	4.7
73.02930	4.7
79.05496	48.4
81.03423	43.0
81.07059	50.5
83.04983	16.8
83.08606	13.6
85.02901	12.0
85.06560	2.6
91.05487	36.6
93.07044	34.2
95.04971	9.6
95.08608	29.2
97.02888	13.9
97.06544	10.8
97.10191	12.1
99.04481	5.2
99.08092	2.6
101.02403	2.6
105.07039	32.7
107.04929	9.5
107.08594	29.0
108.29798	2.4
109.02897	14.3
109.06513	7.3
109.10158	61.8
111.04443	10.0
111.08097	6.8
117.07030	13.2
117.78402	2.0
119.08592	31.8
121.06524	5.2
121.10152	16.3
123.04462	2.2
123.08090	4.6
123.11737	5.5
125.09634	12.2
127.03902	12.0
129.05489	4.4
129.07008	7.7
130.07841	2.1
131.08565	16.3
133.06500	3.6
133.10120	24.3
135.08058	7.2
135.11699	5.7
137.09698	5.0
141.07094	3.7
142.07820	2.1
143.08563	6.3
145.06552	2.8
145.10115	18.6
147.08075	4.5
147.11707	16.5
149.09628	11.9
149.13239	6.9
151.11223	4.1
155.08517	4.2
155.10690	4.7
157.10165	6.3
159.08113	3.0
159.11667	12.8
161.09680	4.6
161.13223	4.9
163.11162	6.8
163.94119	1.9
165.09041	2.8
165.12772	1.8
169.10098	5.8
171.10284	2.4
171.11755	7.0
173.04475	9.2
173.09656	2.5
173.11751	20.0
173.13226	4.2
175.11182	2.9
181.10095	2.9
183.11665	4.0
185.13217	2.7
187.11258	2.8
189.11232	7.6
189.12790	3.4
197.13326	2.3
199.14885	2.4
211.13278	2.4
227.12718	13.2
229.14360	27.0
239.18027	3.0
245.13853	2.6
247.20609	4.7
257.19022	9.1
259.20584	4.1
275.20071	53.9
293.21228	5.7
299.14902	5.7
331.22791	3.0
336.59140	1.9
349.23703	31.9
365.21201	2.6
373.18536	15.9
405.30072	3.6
415.92941	2.1
453.20993	9.7
485.32635	6.4
493.28601	2.6
503.33731	47.6
514.91620	2.6
521.34460	4.4
567.31738	2.9
611.35205	3.3
629.36713	3.4
647.37921	30.9
665.35132	63.2
666.35693	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	667.3305
Annotation	Strychnogucine B
Peak:m/z	Relative Intensity
53.03941	0.9
55.05524	1.4
57.03436	1.9
57.07050	0.5
59.05070	0.3
61.02927	3.4
65.78943	0.3
65.83009	0.3
67.05511	3.8
69.03433	2.5
69.07072	1.3
70.19526	0.8
71.01332	0.4
71.04997	1.0
73.02934	2.3
79.05503	2.9
81.03426	5.0
81.07064	3.4
83.04991	0.9
83.08626	1.1
85.02911	5.7
85.06595	0.4
91.03957	2.4
91.05473	3.3
93.07063	3.4
95.04974	2.1
95.08597	1.1
95.49591	0.3
97.02895	3.9
97.06547	1.0
97.10204	0.7
99.04490	1.0
101.02386	1.4
103.03954	0.4
105.07030	1.5
107.04985	0.5
107.08587	1.9
109.02906	1.1
109.06509	0.5
109.10192	0.8
111.04508	0.4
111.08136	0.5
117.07043	0.4
119.08580	2.4
121.06503	0.4
121.10149	1.2
123.08065	0.6
125.09624	0.4
127.03954	1.4
127.27507	0.3
129.07042	0.8
131.08609	1.3
133.10117	1.5
135.11696	3.4
135.54269	0.3
145.10168	0.6
147.04337	0.4
147.08070	0.3
147.11732	1.4
149.09781	0.4
157.10118	1.0
163.11263	0.4
175.11256	0.6
181.12306	0.6
185.04224	0.8
193.12291	2.0
211.13383	1.2
221.11597	1.1
221.15335	0.5
239.16516	0.5
241.73695	0.3
243.08363	2.0
251.12563	1.4
252.52069	0.3
255.16002	0.5
271.06036	1.6
277.14206	0.6
277.53882	0.3
307.15161	0.4
309.52554	0.3
439.19415	7.7
457.59137	0.3
469.20538	7.9
487.30850	0.5
649.36151	0.5
667.33008	100.0
668.33203	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	665.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01863	0.5
55.05510	0.9
57.03437	1.0
61.02928	2.9
61.03186	0.5
67.05499	6.0
69.03421	2.1
69.07054	1.8
70.65754	1.3
71.05003	0.7
73.02914	2.5
77.33559	0.5
79.05486	3.1
79.64993	0.5
81.03411	2.3
81.07053	5.8
83.04978	1.4
83.08622	0.9
85.02901	4.0
85.06525	0.6
91.03957	2.7
91.05477	2.0
93.07047	4.5
95.04975	1.1
95.08613	2.4
97.02899	3.0
97.10162	0.7
99.04444	0.9
101.02381	1.1
104.68090	0.5
105.07033	1.4
107.08572	2.7
109.02892	1.2
109.06516	0.6
109.10146	1.2
111.08064	0.7
117.07018	1.3
119.08601	1.4
121.10158	0.9
123.11706	0.5
127.04002	1.1
129.06964	0.5
131.08583	1.6
133.10138	2.2
135.11703	1.2
145.10071	0.7
147.11749	0.6
149.13254	2.3
159.11737	1.5
172.91238	0.5
193.05052	0.7
195.13905	1.6
203.05237	0.6
209.77931	0.6
235.13011	2.4
243.08482	1.6
269.17560	2.6
275.20227	0.9
287.05685	0.6
427.91919	0.5
448.02686	0.5
453.20969	19.5
576.05042	0.6
647.38013	1.1
665.35052	100.0
666.35199	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	665.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01846	0.5
55.05510	1.0
57.03435	1.4
61.02927	2.8
65.03957	0.3
67.05510	5.1
69.03440	2.4
69.07069	1.2
70.12585	1.4
71.04984	0.6
73.02923	2.4
77.50029	0.3
77.79822	0.3
79.05490	2.6
79.43518	0.3
81.03419	2.0
81.07066	4.7
83.04987	1.1
83.08638	1.2
85.02899	2.9
91.03964	2.3
91.05491	2.4
93.07053	3.2
95.04977	0.6
95.08611	1.4
95.26821	0.3
97.02895	3.2
97.06538	0.6
97.10172	0.4
99.04449	0.6
101.02408	1.1
105.07058	1.4
107.04973	0.4
107.08595	2.3
109.02903	0.8
109.06523	0.7
109.10175	0.7
111.08153	0.5
117.07053	1.0
117.61523	0.3
119.08599	0.7
121.06510	0.4
121.10155	1.2
125.09655	0.4
127.03954	1.4
131.08594	0.9
133.10144	1.1
135.11749	0.8
145.10123	0.4
147.11732	0.5
149.09631	0.5
149.13235	1.8
157.10008	0.3
159.11758	1.3
166.57605	0.3
177.12775	0.4
185.04242	0.5
193.04836	0.3
195.13887	0.9
199.36119	0.4
203.05374	0.5
203.64903	0.3
229.14287	0.4
235.13095	1.7
243.08438	1.8
269.17520	2.0
275.20160	1.1
291.15671	0.6
308.22894	0.3
373.18515	0.4
453.20975	17.4
454.21414	0.6
647.37189	0.5
665.35095	100.0
666.35266	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	665.351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79876	0.3
53.03949	0.7
54.01408	0.3
55.01869	0.5
55.05523	1.7
57.03442	1.8
59.37280	0.3
61.02930	4.4
65.03957	0.3
67.05506	6.4
69.03425	3.1
69.07072	1.8
71.04994	0.9
71.54295	0.5
73.02927	2.5
78.18726	0.3
79.05505	3.8
81.03413	2.2
81.07065	8.4
83.04985	1.1
83.08617	1.9
85.02908	3.9
85.06536	0.6
87.04491	0.4
91.03960	2.8
91.05487	2.8
91.61573	0.3
93.07051	5.3
95.04965	1.0
95.08616	2.3
97.02896	3.1
97.06535	1.3
99.04465	1.2
99.08073	0.5
101.02391	1.4
105.07051	1.6
107.08611	3.5
109.02905	0.9
109.10174	1.6
111.04442	0.4
111.08093	1.1
117.07032	0.9
119.08607	0.9
121.06508	0.4
121.10155	2.0
123.11673	0.5
127.03930	1.3
131.08562	1.2
133.06471	0.3
133.10129	2.0
135.11681	1.6
145.10155	0.5
147.11676	0.3
149.13258	3.3
159.11716	1.8
163.11354	0.4
177.12798	0.8
178.10770	0.3
185.04324	0.4
195.13855	1.4
203.05042	0.4
229.14409	0.5
235.12999	2.0
242.53522	0.3
243.08406	2.0
269.17548	1.2
275.20190	1.2
291.15799	0.9
349.23810	0.8
373.18689	1.1
453.21036	13.8
503.34006	0.7
647.37787	1.2
665.35101	100.0
666.35394	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	665.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01882	0.3
55.05517	1.2
57.03432	1.0
61.02929	3.4
63.07936	0.2
65.03938	0.4
67.05513	5.7
69.03439	2.4
69.07074	1.6
69.52016	1.1
69.52414	0.4
71.04994	0.5
73.02918	2.4
76.75803	0.2
79.05493	2.9
81.03429	1.8
81.07064	6.4
83.04991	0.7
83.08619	1.1
83.33593	0.2
84.22931	0.2
85.02912	3.7
85.06544	0.6
89.33361	0.2
91.03972	2.6
91.05480	1.8
93.07054	5.7
95.04993	0.7
95.08624	1.6
97.02905	3.1
97.06524	1.2
97.10154	0.3
99.04494	0.7
101.02386	1.2
103.03968	0.4
105.07030	1.1
107.08602	3.0
109.02914	0.8
109.06538	0.4
109.10174	1.1
111.08104	0.9
115.04006	0.3
117.07041	0.9
119.08617	0.6
121.06522	0.2
121.10161	2.0
123.08083	0.3
123.11684	0.3
125.09685	0.3
127.03940	1.5
129.05484	0.3
131.08595	1.0
133.10164	1.0
135.11728	0.8
142.66324	0.2
145.10156	0.2
147.11711	0.5
149.13261	3.7
159.11714	1.5
171.11668	0.3
177.12820	0.8
185.04263	0.5
195.13818	0.7
203.05327	0.4
229.14330	0.4
235.13104	2.0
243.08369	1.8
269.17493	1.0
275.19952	0.5
291.15732	1.2
349.23999	0.2
373.18747	0.3
453.21014	16.6
503.33102	0.2
534.47791	0.2
647.38452	0.4
665.35126	100.0
666.35455	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	663.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.7
57.07081	51.2
67.05519	0.6
69.07082	0.5
77.03642	0.5
77.04040	0.7
79.05514	0.6
81.07057	0.8
87.04491	1.0
87.06387	0.3
91.05488	6.4
93.07064	0.8
95.05015	1.1
95.08620	0.9
105.07030	2.1
109.10198	0.5
117.07025	0.7
119.08636	1.1
121.10091	0.4
131.04184	0.4
132.09404	0.6
147.11697	6.1
152.06226	0.8
153.07011	2.8
171.08044	0.4
228.09390	0.8
229.10156	1.1
233.03633	5.5
251.04691	15.5
296.10263	0.4
306.46008	0.3
307.10974	2.3
309.06900	0.6
327.07822	100.0
328.08139	1.6
333.49652	0.4
363.17383	0.8
383.14087	69.7
384.14505	1.2
420.92404	0.4
439.20377	70.7
440.20496	1.9
480.23175	0.5
495.26630	60.6
496.26712	1.1
551.32898	88.9
552.33203	2.4
607.39130	77.7
608.39752	2.2
663.35754	1.4
663.45410	21.9
664.45593	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.9
57.03440	9.9
57.07076	22.0
59.05005	3.5
61.02914	3.3
64.56985	0.8
65.03921	1.5
67.05506	55.4
69.03430	1.7
69.07069	5.7
70.65712	1.5
70.66087	1.3
71.04972	2.1
71.08630	16.2
73.02925	0.9
79.05491	2.3
81.07057	13.5
83.08620	10.8
85.02891	3.2
85.06519	2.2
85.10178	10.6
89.06051	1.3
91.03935	2.0
91.05482	3.7
93.07045	3.3
95.08607	17.2
97.02885	2.5
97.10180	3.6
107.08590	2.0
109.10157	62.5
111.08079	2.4
111.11713	0.8
119.08575	4.8
123.11737	1.7
133.10225	0.8
137.09631	2.3
137.13264	0.9
155.10672	5.2
159.11743	0.7
173.11740	16.5
229.14352	100.0
239.23688	2.2
257.24850	0.9
259.40097	0.8
281.50745	0.7
303.20697	0.8
313.27362	80.4
314.27570	1.3
379.44730	0.8
467.37332	62.7
468.37869	0.7
657.15912	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.4
55.01859	8.5
55.05510	52.3
57.03421	11.4
57.07058	12.5
61.58208	3.7
62.16127	3.6
66.65111	3.8
67.05508	100.0
69.07066	40.8
69.81500	19.5
71.04982	5.2
79.05495	74.7
81.07063	79.8
83.04993	10.5
83.08610	20.7
85.06566	4.0
87.04471	48.0
91.05477	56.1
92.42284	3.8
93.07040	72.0
95.04945	10.9
95.08057	6.8
95.08609	61.6
97.06503	14.1
97.10188	23.1
97.10700	3.9
100.46279	4.5
100.91322	4.1
105.07021	44.1
107.04927	5.3
107.07990	4.6
107.08601	57.9
109.06522	7.0
109.10165	24.9
117.07005	15.5
119.08581	34.0
121.10156	27.0
123.08064	6.5
123.11684	11.1
125.09591	15.6
129.06979	8.6
131.08583	22.1
133.10121	29.3
135.08000	5.0
135.11681	18.9
135.57883	3.6
145.10094	24.3
147.11681	17.2
149.09584	8.4
149.13268	10.3
157.10062	3.7
159.11697	19.2
161.13240	13.2
163.11215	7.2
163.14825	5.7
171.11736	8.0
173.13290	11.7
179.14354	7.0
185.13240	6.0
189.11197	14.9
197.00282	4.9
197.13242	4.4
227.12794	32.3
239.18013	4.4
257.19000	10.5
261.22076	13.0
275.20026	39.7
293.21344	4.8
335.25830	68.8
349.23676	38.1
431.31641	5.9
505.34995	11.8
513.39307	5.8
515.37726	4.8
529.39288	4.2
546.41357	5.2
564.42914	5.4
609.45160	31.5
627.46124	6.4
662.44135	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	662.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58697	1.1
53.03937	3.1
55.01866	1.9
55.05519	10.0
57.03447	8.7
61.02311	1.3
61.02937	2.4
65.03972	1.4
67.05515	30.7
69.03445	2.2
69.07070	10.0
70.76335	1.2
71.01360	2.5
71.04993	3.9
72.73337	1.2
79.05499	26.7
81.03421	11.2
81.07068	24.4
83.04988	10.2
83.08631	5.9
85.02896	4.3
85.06557	3.0
87.04484	2.2
88.06395	1.1
91.04921	1.5
91.05487	22.0
93.07050	29.2
95.04982	18.2
95.08624	8.7
97.02921	1.8
97.06541	8.2
97.10201	6.2
99.08096	1.6
105.07059	12.6
107.04950	4.3
107.08611	22.1
109.06519	3.9
109.10168	4.4
111.04426	1.7
111.08096	3.1
117.07037	4.4
119.08598	11.1
121.06507	1.5
121.10150	6.7
123.11699	1.3
125.09677	1.6
129.07013	5.1
131.08563	4.7
133.06496	1.7
133.10139	11.0
135.08083	4.7
135.11705	28.0
142.07787	2.4
145.10181	6.7
147.11676	8.1
149.09650	1.4
151.11212	4.3
157.10092	6.1
163.11203	6.5
165.12799	3.7
175.11188	6.3
181.12297	4.5
183.97673	1.0
184.07358	2.0
193.12286	10.1
211.13335	7.2
229.01514	1.6
232.39180	1.1
255.15924	30.9
267.15817	7.8
285.16928	10.4
287.43057	1.2
373.23730	2.8
394.59546	1.3
402.28671	1.4
421.26004	1.7
447.27374	23.3
465.28525	100.0
466.28928	2.7
529.54907	1.3
662.24841	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01844	1.2
55.05515	11.9
57.03442	16.8
61.02924	3.0
65.03927	1.6
67.05509	36.2
69.03447	3.2
69.06735	0.8
69.07073	11.2
70.97498	1.0
71.01334	2.6
71.04996	4.3
79.05498	33.1
81.03423	44.3
81.07061	24.1
83.04983	15.4
83.08626	15.2
85.02450	1.0
85.02911	13.5
85.06548	2.8
86.09660	0.6
87.04439	1.0
91.03953	1.0
91.05489	24.2
93.07052	38.4
95.04974	17.7
95.08608	9.4
97.02910	3.9
97.06532	10.9
97.10175	10.0
99.04470	1.1
99.08084	2.0
103.18107	0.6
105.04513	1.1
105.07042	12.3
107.04960	4.6
107.08601	24.9
109.06519	3.4
109.10151	4.3
111.04379	1.3
111.07486	0.6
111.08096	6.3
113.06004	1.1
113.56355	0.6
115.05424	0.8
117.07027	3.9
119.04938	0.9
119.08585	14.2
121.06522	1.0
121.10138	8.4
123.08066	1.2
123.11666	1.0
125.06004	0.7
125.09603	2.4
129.07027	6.6
131.07730	0.7
131.08585	6.8
133.06480	2.1
133.10135	9.5
135.07990	1.0
135.11699	35.9
137.09596	2.7
142.07773	1.6
145.09204	0.7
145.10152	7.7
147.08034	1.5
147.11693	9.7
149.09639	3.3
153.12730	1.1
157.10158	9.4
163.11191	6.1
165.12773	1.5
175.11205	10.8
175.12682	0.5
181.12247	9.6
184.07315	1.6
193.12256	26.1
199.13243	1.2
211.13304	32.2
214.87941	0.6
237.14955	0.6
249.14986	0.7
255.15926	96.3
256.16315	1.1
267.13043	0.8
267.15927	18.4
285.16971	25.2
329.75494	0.8
371.32770	0.7
373.24164	0.6
421.25812	3.0
429.26294	1.1
432.17529	1.0
447.27423	47.8
448.27979	1.0
458.15186	1.0
465.28513	100.0
466.28784	2.4
472.16977	1.0
619.23621	1.6
620.24652	1.0
630.22473	1.3
662.25513	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	661.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.6
55.05298	2.9
55.05516	25.8
57.07063	10.1
63.95351	2.9
65.03928	6.3
65.84796	3.0
67.05505	45.6
69.03426	4.4
69.06787	2.5
69.07077	29.9
69.92642	11.6
71.04998	6.5
77.03913	3.2
79.05491	33.8
80.19598	2.2
81.07056	78.6
83.05000	5.3
83.08626	17.2
85.06574	2.9
91.05482	52.8
93.07048	69.0
95.04962	43.8
95.08610	89.8
97.06538	19.7
97.10192	5.2
98.21598	2.9
99.04473	19.1
99.08109	3.2
105.07035	94.8
107.08598	88.9
109.06532	43.6
109.10158	61.9
111.04480	4.5
111.08097	17.3
113.06009	38.6
113.36080	2.8
115.05453	6.1
117.07012	18.5
117.83237	2.7
119.08588	96.3
121.06506	55.3
121.10144	60.9
123.08056	27.4
123.11711	23.6
128.06223	7.2
129.07018	15.7
130.07748	4.1
131.08562	56.7
133.06485	8.0
133.10136	71.3
133.11104	5.5
135.08066	55.4
135.11668	34.6
137.06038	3.4
137.09616	12.4
137.13249	10.3
141.07004	6.7
142.07761	13.9
143.08574	38.6
144.09323	6.2
145.06511	7.8
145.10129	66.2
147.08060	28.5
147.11696	41.9
149.09630	23.8
149.13240	18.6
151.07553	10.9
151.11142	3.2
154.07739	5.4
155.08560	20.7
156.09369	9.0
157.10144	47.1
158.07280	5.1
158.10938	4.7
159.08060	23.7
159.11694	60.0
160.08861	3.3
161.09616	62.7
161.13251	35.1
163.11230	14.7
163.14799	10.3
165.07059	4.4
165.09129	5.4
167.08548	9.2
167.10622	3.6
168.09332	6.5
169.10135	27.0
170.10886	3.3
171.08040	4.4
171.11693	40.0
173.09639	24.7
173.13268	39.8
175.11201	25.6
175.14815	22.2
177.12759	4.3
177.16397	3.9
179.10852	2.8
180.09279	2.7
181.10120	8.3
183.11694	28.1
185.09630	11.3
185.13225	28.6
187.11205	24.8
187.14787	19.7
189.12732	20.4
189.16385	6.1
191.10590	4.9
191.14323	6.2
191.17999	4.1
195.11729	12.8
196.12396	5.6
197.09589	4.7
197.13214	23.3
199.11195	14.9
199.14861	25.0
201.12721	22.8
201.16415	15.4
203.10609	3.5
203.14314	17.3
203.17982	3.5
205.10147	2.7
205.12309	3.3
207.11790	3.0
209.13309	15.2
211.11314	4.7
211.14828	16.1
213.12813	14.4
213.16373	19.5
215.14305	16.9
215.17870	6.7
217.15855	6.7
219.11810	2.9
219.13815	11.1
221.13281	6.1
221.15385	3.1
222.14095	2.8
223.14836	12.2
225.16383	12.7
227.14456	12.9
227.17802	13.4
229.15906	17.9
229.19531	4.7
235.14874	7.7
236.15535	3.1
237.16475	6.0
239.14246	3.3
239.18068	6.1
241.15782	5.1
241.19562	6.7
243.13875	3.9
243.17418	7.0
245.15433	5.3
245.18904	3.6
249.16490	2.7
251.18015	5.3
251.74983	2.7
253.15941	5.9
253.19623	7.2
255.17473	8.6
255.21135	3.6
257.19095	8.4
265.19614	4.1
267.17291	5.9
267.21057	5.8
269.19113	5.0
271.20636	4.8
273.18640	4.2
277.19427	4.3
279.21350	5.2
281.19122	7.0
281.22482	4.4
283.20740	5.0
285.18701	5.9
285.22052	3.1
291.21143	5.7
297.22238	6.5
299.20093	7.2
303.23056	3.4
309.21945	5.3
311.23813	3.7
313.21503	3.2
323.23730	8.2
327.23242	6.0
335.23730	4.7
351.71860	3.5
352.21930	4.0
353.24899	16.4
355.26038	3.6
363.26782	4.1
371.25766	18.2
372.72394	6.3
373.22250	4.3
381.27780	8.2
388.43015	3.0
463.30676	4.7
527.38495	5.2
545.39832	35.8
547.38940	3.7
553.40381	9.7
565.40161	12.3
571.41315	8.3
583.20264	4.1
583.41486	71.5
589.39264	3.3
601.42505	100.0
611.41266	3.3
619.43781	19.1
643.22534	7.6
643.43683	44.9
661.44775	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	661.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.0
53.03935	2.0
55.01868	2.1
55.05499	2.3
57.03424	1.7
57.07086	0.9
61.02914	1.9
65.03953	1.2
67.05516	4.7
69.03084	1.1
69.03432	12.6
69.07070	4.4
69.46022	3.6
71.04979	0.8
79.05494	6.8
80.37296	0.9
81.03414	2.6
81.07074	7.6
83.04989	1.5
83.08612	1.2
85.02909	12.1
88.10536	0.8
91.05501	6.5
91.99744	0.8
93.03413	0.7
93.07047	9.4
95.04976	3.1
95.08618	11.5
97.02902	5.2
97.06532	4.1
99.04494	1.1
103.05470	1.1
105.07038	7.9
107.04943	3.3
107.08602	12.5
109.02894	2.9
109.06538	2.8
109.10179	5.4
111.04424	2.3
115.05434	1.0
117.03400	0.8
117.07030	1.8
119.04964	2.7
119.07810	1.3
119.08600	18.2
121.02885	1.4
121.06522	9.0
121.10159	10.2
123.04450	6.2
123.08040	1.5
123.11696	4.8
125.02359	0.8
125.05981	0.7
127.03908	2.4
131.04984	1.3
131.08597	2.0
133.02876	1.4
133.06551	1.2
133.10144	26.1
135.04416	5.0
135.08069	2.3
135.11702	10.3
137.05981	2.0
137.09604	1.6
137.13249	2.2
139.03914	100.0
139.11189	2.5
140.04257	0.9
141.05450	1.7
145.02780	0.8
145.06557	1.0
145.10184	1.3
147.04399	5.2
147.08098	1.1
147.11708	3.5
149.05978	4.2
149.09663	1.1
149.13284	7.3
151.03941	11.3
151.07539	4.0
153.05487	5.7
159.04431	1.9
161.05954	1.8
163.03923	26.0
163.07581	2.4
165.05487	81.6
167.07068	2.7
169.04971	3.1
173.06017	1.5
173.09511	1.1
173.13295	3.4
175.03897	0.8
175.07565	2.5
175.14838	54.4
177.05489	18.8
177.09064	0.9
179.03436	1.3
179.07010	4.9
181.04985	15.4
185.06042	1.4
186.06784	0.8
187.07613	1.0
189.05489	10.5
191.07057	15.4
191.10706	1.7
193.05055	1.2
193.08638	23.2
193.15892	9.1
195.06561	4.1
201.05583	1.5
203.07140	4.6
205.04962	2.4
205.08589	2.2
207.06560	1.5
213.05496	1.5
215.07178	1.4
217.08632	1.9
219.06624	1.0
219.10179	2.4
223.06056	2.8
229.04970	1.2
229.08725	1.0
231.06599	3.6
231.10098	1.2
233.08124	1.3
233.11769	1.6
239.10625	1.1
241.05045	1.0
243.06563	0.9
243.10269	0.9
247.06026	1.5
255.06456	1.0
257.11783	3.2
259.06180	1.2
271.06012	0.8
271.13461	1.2
273.07623	2.1
288.06345	1.1
289.07135	1.1
295.16977	1.7
301.07193	1.6
307.08282	1.1
309.09720	3.0
313.18033	23.4
315.08749	4.8
317.10312	1.3
318.54166	0.7
319.08221	7.3
323.90308	0.8
325.18027	1.3
327.08511	1.1
331.19077	28.0
333.09714	57.4
341.10196	1.1
345.09805	1.7
355.19531	0.9
357.09860	3.6
359.11298	12.2
361.13037	1.2
373.20169	1.9
375.11285	0.9
385.12982	0.9
427.20984	1.2
440.19592	0.9
457.22400	1.8
458.84872	0.8
463.21118	2.2
475.23367	6.7
477.14310	1.4
481.15283	1.0
481.22229	18.9
493.24469	3.9
495.15002	1.1
499.23318	19.9
523.15967	2.2
661.19104	18.0
661.29437	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.01872	2.5
55.05509	3.0
57.03440	2.4
61.02926	1.6
65.03941	2.3
65.06687	1.0
67.05511	5.7
68.99798	2.3
69.03436	12.9
69.07074	7.1
71.05045	1.5
79.05488	5.7
81.03415	2.9
81.07069	11.5
83.04990	2.2
85.02909	11.2
91.05494	5.9
93.07046	9.9
95.04964	4.3
95.08613	17.3
97.02904	4.6
97.06548	3.2
105.07024	11.0
107.04960	4.1
107.08605	11.1
109.02876	3.1
109.10178	10.9
111.04445	1.5
115.05474	1.4
117.07005	2.5
119.04994	1.5
119.08593	24.9
121.02859	3.0
121.06528	7.2
121.10151	11.3
123.04449	5.3
123.08015	1.8
123.11720	7.1
127.03930	3.8
131.08582	1.9
133.02893	2.2
133.10139	27.9
135.04460	5.4
135.08035	2.3
135.11702	14.7
137.05960	2.0
137.09625	3.7
137.13257	4.5
139.03911	100.0
141.05437	2.0
145.06525	3.8
145.10150	3.3
147.04425	3.6
147.08064	2.4
147.11700	5.1
149.05951	7.3
149.13283	7.5
151.03925	23.6
153.05466	14.1
159.04463	2.4
159.11777	1.2
161.06010	3.7
163.03918	18.9
163.07538	7.1
165.05492	85.8
167.07069	4.6
169.04964	2.0
173.06000	4.2
173.13283	4.8
175.03905	1.5
175.07556	4.6
175.14836	57.9
177.05490	28.2
179.03387	2.3
179.07040	8.2
181.05038	8.8
187.07503	1.8
189.05475	15.6
191.07047	63.8
193.05089	1.1
193.08609	11.3
193.15871	12.1
195.06532	2.7
201.05428	2.1
203.07086	6.5
205.05000	3.1
205.08644	3.6
207.06456	1.6
213.05434	1.8
215.07028	2.4
217.08533	2.3
219.06473	1.5
219.10170	5.2
223.05827	1.4
229.05016	1.6
229.08771	1.2
231.06499	2.0
231.10164	4.1
231.85100	1.2
233.11671	2.8
243.06459	1.4
243.10168	4.2
245.11742	2.7
257.07889	1.5
257.11749	3.5
269.17511	1.9
271.13422	2.0
273.07617	1.6
287.05582	1.8
289.07120	1.6
295.86166	1.2
301.07098	4.9
301.17877	1.6
302.20572	1.3
313.18002	47.7
315.08701	16.7
319.08112	4.3
325.18066	1.6
327.08667	2.3
329.10153	1.3
329.79227	1.3
331.19067	44.1
333.09689	42.0
339.08600	4.1
341.10150	15.2
343.11783	2.7
345.09598	2.2
348.91666	1.3
353.10413	1.3
355.18948	1.7
357.09540	7.2
359.11066	6.6
373.20212	1.3
457.22015	1.7
463.21136	15.9
475.23267	2.1
477.13809	3.9
481.22202	29.7
493.24155	1.3
495.15021	1.4
499.23349	6.1
523.15839	2.7
568.95306	1.3
661.19183	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.01872	2.5
55.05509	3.0
57.03440	2.4
61.02926	1.6
65.03941	2.3
65.06687	1.0
67.05511	5.7
68.99798	2.3
69.03436	12.9
69.07074	7.1
71.05045	1.5
79.05488	5.7
81.03415	2.9
81.07069	11.5
83.04990	2.2
85.02909	11.2
91.05494	5.9
93.07046	9.9
95.04964	4.3
95.08613	17.3
97.02904	4.6
97.06548	3.2
105.07024	11.0
107.04960	4.1
107.08605	11.1
109.02876	3.1
109.10178	10.9
111.04445	1.5
115.05474	1.4
117.07005	2.5
119.04994	1.5
119.08593	24.9
121.02859	3.0
121.06528	7.2
121.10151	11.3
123.04449	5.3
123.08015	1.8
123.11720	7.1
127.03930	3.8
131.08582	1.9
133.02893	2.2
133.10139	27.9
135.04460	5.4
135.08035	2.3
135.11702	14.7
137.05960	2.0
137.09625	3.7
137.13257	4.5
139.03911	100.0
141.05437	2.0
145.06525	3.8
145.10150	3.3
147.04425	3.6
147.08064	2.4
147.11700	5.1
149.05951	7.3
149.13283	7.5
151.03925	23.6
153.05466	14.1
159.04463	2.4
159.11777	1.2
161.06010	3.7
163.03918	18.9
163.07538	7.1
165.05492	85.8
167.07069	4.6
169.04964	2.0
173.06000	4.2
173.13283	4.8
175.03905	1.5
175.07556	4.6
175.14836	57.9
177.05490	28.2
179.03387	2.3
179.07040	8.2
181.05038	8.8
187.07503	1.8
189.05475	15.6
191.07047	63.8
193.05089	1.1
193.08609	11.3
193.15871	12.1
195.06532	2.7
201.05428	2.1
203.07086	6.5
205.05000	3.1
205.08644	3.6
207.06456	1.6
213.05434	1.8
215.07028	2.4
217.08533	2.3
219.06473	1.5
219.10170	5.2
223.05827	1.4
229.05016	1.6
229.08771	1.2
231.06499	2.0
231.10164	4.1
231.85100	1.2
233.11671	2.8
243.06459	1.4
243.10168	4.2
245.11742	2.7
257.07889	1.5
257.11749	3.5
269.17511	1.9
271.13422	2.0
273.07617	1.6
287.05582	1.8
289.07120	1.6
295.86166	1.2
301.07098	4.9
301.17877	1.6
302.20572	1.3
313.18002	47.7
315.08701	16.7
319.08112	4.3
325.18066	1.6
327.08667	2.3
329.10153	1.3
329.79227	1.3
331.19067	44.1
333.09689	42.0
339.08600	4.1
341.10150	15.2
343.11783	2.7
345.09598	2.2
348.91666	1.3
353.10413	1.3
355.18948	1.7
357.09540	7.2
359.11066	6.6
373.20212	1.3
457.22015	1.7
463.21136	15.9
475.23267	2.1
477.13809	3.9
481.22202	29.7
493.24155	1.3
495.15021	1.4
499.23349	6.1
523.15839	2.7
568.95306	1.3
661.19183	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
55.05515	5.9
57.07083	24.8
59.04989	1.2
67.05508	6.9
69.07059	3.4
71.05014	1.2
71.08641	24.5
71.53355	1.3
73.06553	8.3
79.05494	4.8
81.03436	1.0
81.07063	10.3
82.07384	1.0
83.04992	1.5
83.08625	6.4
85.10194	22.7
87.04478	8.3
89.06041	100.0
91.05474	3.9
93.07066	6.7
95.04960	3.4
95.08598	3.0
97.06526	1.8
97.10166	3.0
97.57141	0.9
99.11759	1.7
99.56876	1.2
105.07030	4.8
106.07390	0.9
107.07084	1.5
107.08586	3.3
108.99310	0.8
109.06551	1.2
109.10165	3.0
110.10464	0.8
110.96474	0.8
111.04465	0.9
117.06982	1.7
117.09164	8.3
119.08578	2.2
120.08905	1.3
121.06505	1.3
121.10155	2.1
123.11703	1.0
125.09642	1.2
130.08652	2.6
131.07039	2.8
131.08604	2.2
133.08615	48.7
133.10129	1.7
135.08055	1.2
138.81509	0.8
141.16394	3.7
145.10167	1.4
147.11708	1.3
149.09622	1.5
151.11214	1.3
159.11726	1.3
161.11717	2.3
170.58437	1.0
171.05354	0.9
175.09711	1.8
177.11244	21.5
185.19029	3.3
221.13832	4.8
229.21631	9.5
273.24292	6.8
275.20059	3.3
276.20374	2.4
293.21310	1.3
294.21490	1.4
341.09732	1.0
345.16019	1.0
349.23694	1.5
350.24341	1.0
367.25089	1.0
503.30505	1.7
562.38586	1.7
642.44232	1.7
643.46228	6.8
660.49164	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	660.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01856	1.4
55.05269	0.5
55.05513	6.1
57.03439	7.6
57.07069	1.0
61.02930	8.1
65.03926	1.1
67.05509	29.1
68.05824	0.7
69.03421	2.7
69.06737	0.7
69.07075	9.7
69.99787	1.8
71.01362	0.6
71.04994	2.5
73.02924	2.6
79.05499	18.7
81.03419	3.2
81.07059	39.6
82.03749	0.5
82.07391	0.6
83.04987	3.0
83.08626	6.9
85.02905	7.7
85.06536	2.3
86.03271	0.7
91.03966	4.0
91.05482	8.9
93.07050	28.0
95.04967	2.2
95.08614	10.8
97.02895	5.4
97.06533	4.9
97.10154	1.0
98.03223	1.0
99.04451	1.2
99.08050	1.0
101.02375	0.9
103.03934	0.8
105.04478	0.4
105.07041	3.4
106.63360	0.4
107.04965	0.6
107.08598	16.0
109.02877	0.9
109.06535	0.8
109.10142	2.2
111.04434	0.5
111.08073	3.5
117.07030	5.0
119.08584	1.4
120.08923	0.4
121.06489	1.3
121.10149	9.3
122.10497	0.5
123.11708	2.5
127.03914	2.4
128.04271	0.4
129.07010	0.7
131.08582	5.0
132.08896	0.4
133.10143	5.8
135.08058	1.2
135.11676	4.7
139.11157	0.7
145.04956	1.5
145.10176	0.4
147.11707	1.2
149.09662	0.5
149.13264	15.5
151.11198	1.0
159.11691	6.2
160.12036	0.6
163.05977	0.6
173.13364	0.5
175.04922	0.5
177.12798	3.0
183.06609	0.5
186.44646	0.4
195.13831	7.1
213.14894	1.3
243.21065	0.5
251.16486	0.9
261.22229	0.6
269.17496	39.9
296.00119	0.4
335.25854	2.4
336.26062	2.7
463.30576	100.0
464.30872	2.5
545.72668	0.4
607.34875	0.9
660.36072	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.3
53.03933	1.2
55.01875	1.0
55.05272	0.4
55.05517	5.4
57.03156	0.4
57.03440	7.4
57.07089	1.4
61.02920	1.0
65.03943	0.9
67.05508	31.6
69.03424	0.4
69.07072	10.3
70.70815	0.2
70.71487	0.6
71.01347	0.6
71.04996	2.9
71.08660	0.3
73.02921	0.8
77.03954	0.3
78.82107	0.2
79.05499	17.6
81.03428	0.9
81.07060	42.6
82.07391	0.3
83.04977	3.3
83.08627	7.6
83.09116	0.4
85.02910	1.7
85.06550	2.6
91.03969	0.6
91.04907	0.4
91.05483	9.0
93.07049	30.2
95.04984	2.4
95.08612	10.1
97.02904	1.0
97.06535	7.0
97.10181	1.2
99.04433	0.6
99.08093	1.9
100.14381	0.2
104.25458	0.2
105.04507	0.4
105.07044	2.8
107.05030	0.3
107.08599	17.2
107.37376	0.3
109.06516	1.4
109.10177	1.7
111.08079	4.5
111.11734	0.5
113.06006	0.3
113.09641	0.8
117.07006	4.3
119.08569	1.5
121.06543	0.8
121.10154	11.0
123.08106	0.3
123.11698	1.0
125.09631	0.5
131.08562	5.1
133.10136	4.2
133.81134	0.3
135.08066	0.9
135.11694	4.9
135.12701	0.3
139.11200	1.2
147.11688	0.9
149.09598	0.5
149.13263	19.7
151.11186	0.4
157.10155	0.4
159.11700	8.8
165.12833	0.4
167.14310	0.3
170.67931	0.3
177.12737	4.3
195.13795	5.8
213.14857	0.9
251.16350	0.3
269.17487	54.5
270.17825	0.6
355.80533	0.3
409.93137	0.2
445.29892	0.4
463.30560	100.0
464.30759	2.6
495.56818	0.3
578.19678	0.3
660.36383	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.5
55.01870	1.4
55.05521	7.6
57.03440	6.1
57.07072	1.5
61.02937	5.3
65.03938	1.3
67.05511	31.4
67.81776	0.4
69.03439	1.9
69.07077	10.2
71.04991	2.8
71.08632	0.9
71.53142	0.6
71.53515	0.6
71.60471	0.5
73.02911	1.9
74.09721	0.6
76.43835	0.5
79.05499	21.1
81.03433	3.0
81.07064	43.8
83.04993	2.9
83.08627	9.6
85.02907	5.6
85.06541	1.8
91.03960	2.5
91.05486	13.2
92.05817	0.6
93.07053	29.2
94.07346	0.6
95.04981	1.9
95.08612	11.4
96.08929	0.6
97.02901	3.6
97.06528	5.3
97.10191	0.9
99.04461	1.1
99.08091	1.0
105.07037	5.0
107.08605	17.9
109.02892	0.6
109.06549	1.4
109.10142	2.6
111.08112	3.2
113.06015	0.5
117.07043	6.1
119.08582	2.1
121.06506	1.7
121.10152	7.8
123.08076	0.9
123.11703	3.0
125.09669	0.9
127.03938	1.3
131.08592	5.9
133.10146	10.4
133.11107	0.8
135.08057	1.5
135.11699	6.8
145.04993	0.9
145.10080	0.7
147.11728	1.2
149.02391	0.5
149.13280	10.3
151.11217	1.7
159.11717	5.4
177.12674	2.5
195.13829	10.1
195.15504	0.8
212.99193	0.5
213.14867	1.2
234.22945	0.5
251.16516	2.5
267.15912	0.5
269.17499	54.9
335.25842	1.0
335.31345	0.5
336.26233	1.6
445.29498	2.0
463.30576	100.0
464.30719	1.5
607.34894	1.2
660.36218	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01868	0.7
55.05518	4.9
57.03432	3.2
57.07065	0.4
61.02925	2.3
62.09500	0.4
63.18941	0.4
65.03937	1.0
67.05508	22.4
69.03432	0.6
69.07072	7.2
71.05006	1.9
71.08581	0.4
73.02910	0.8
79.05497	14.0
81.03412	1.7
81.07059	29.8
83.05001	2.4
83.08620	6.2
85.02924	1.9
85.06548	2.4
91.03949	1.0
91.05479	9.9
93.07047	20.9
95.04964	2.2
95.08612	8.5
95.10191	0.4
97.02892	1.2
97.06535	4.6
97.10182	1.2
98.20726	0.9
99.04442	0.4
99.08086	0.5
105.04533	0.4
105.07037	5.5
107.04968	0.9
107.08598	11.5
109.06519	1.3
109.10166	2.8
111.08084	2.3
117.07021	5.0
119.08568	2.8
121.06513	1.5
121.10160	6.5
123.11719	1.8
129.07004	1.4
131.08574	5.2
133.10143	8.0
135.08078	1.3
135.11685	5.0
139.11191	0.4
143.08575	1.2
145.10130	1.5
147.11693	1.0
149.09607	0.9
149.13266	9.8
149.14395	0.8
151.11140	0.7
155.08566	0.7
157.10165	1.2
159.11699	6.6
167.08630	0.5
167.14288	0.6
169.10117	0.5
171.11699	0.6
173.13289	0.7
177.12737	2.2
181.10100	0.4
183.11716	1.0
185.13234	0.4
195.12010	0.7
195.13826	6.1
204.09218	0.4
213.14886	0.9
251.16327	1.9
253.14384	0.8
256.15433	1.5
267.15927	0.5
269.17487	23.5
335.23792	0.6
343.26553	0.5
353.24823	1.7
371.25873	1.8
389.26721	1.4
413.21951	0.7
427.28320	0.6
445.29556	14.9
445.35587	0.8
463.30569	100.0
464.30948	2.6
481.31488	1.8
589.33746	0.8
607.34790	4.0
625.36011	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01865	0.7
55.05519	5.2
57.03438	3.7
57.07058	0.8
59.20211	0.3
61.02928	2.6
65.03922	0.8
65.75652	0.4
67.05508	22.9
67.44817	0.3
69.03426	0.8
69.06734	0.6
69.07072	7.9
69.42754	2.4
71.05008	1.7
73.02917	0.9
78.76077	0.3
79.05493	13.8
81.03413	1.5
81.07057	32.6
83.04974	2.1
83.08624	6.8
85.02901	2.1
85.06528	1.3
87.04495	0.4
91.03947	0.9
91.05481	9.1
93.07043	21.3
95.04968	1.8
95.08606	8.5
97.02895	1.1
97.06526	4.1
97.10154	0.5
99.04461	0.4
99.08080	0.9
105.04450	0.5
105.07031	4.9
107.04929	0.6
107.08592	14.4
109.06513	1.2
109.10155	2.4
111.08081	2.7
115.05474	0.4
117.07023	4.3
119.08611	2.5
121.06504	1.2
121.10145	7.4
123.08073	0.5
123.11723	1.7
123.41692	0.4
125.09647	0.4
129.07008	1.3
131.08571	6.2
132.02286	0.3
133.10127	6.3
135.08070	1.3
135.11685	4.3
139.11124	0.4
143.08571	1.1
145.10129	1.7
147.11710	1.6
149.09579	0.8
149.13263	9.8
151.11183	0.6
155.08603	0.5
157.10135	0.9
159.11697	5.2
167.14301	0.4
169.10123	0.5
171.11713	0.7
173.13251	0.7
175.78632	0.4
177.12741	1.8
181.10098	0.8
183.11749	0.4
185.13272	0.5
195.13834	6.4
201.12677	0.3
213.14827	0.6
251.16409	1.9
269.17465	25.2
335.23663	0.8
339.18039	0.5
353.24832	1.6
371.25891	1.5
389.26727	0.8
413.21753	0.7
427.28595	0.8
445.23529	0.4
445.29456	12.1
463.30545	100.0
464.30826	2.9
481.31650	1.2
552.89050	0.4
607.34711	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	659.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.4
55.01877	2.9
55.05509	20.6
57.03437	16.7
57.07078	3.1
58.79184	2.0
61.81133	2.3
65.03953	3.1
67.05508	66.3
69.03429	17.1
69.07066	12.1
70.87242	2.3
71.04991	15.8
73.06534	2.4
79.05489	34.0
81.03420	88.7
81.07057	100.0
83.04982	32.2
83.08620	27.7
84.82021	2.1
85.02914	26.9
85.06525	11.1
87.04498	2.9
88.61967	2.0
91.05480	42.9
93.07049	31.6
95.04971	24.8
95.08604	24.8
95.61151	2.7
97.02884	13.5
97.06530	11.6
97.10197	7.8
99.04432	5.2
99.08060	2.7
105.07047	26.0
107.04945	9.3
107.08610	18.9
109.02894	5.1
109.06525	7.3
109.10161	11.6
111.04452	10.0
111.08069	9.2
113.05989	3.2
115.30000	2.5
117.07035	7.5
119.08575	17.5
120.08129	2.5
121.06520	4.6
121.10168	15.6
122.23479	2.6
123.08068	5.5
123.11699	12.3
124.41361	2.3
125.09673	3.5
127.03921	9.7
129.05473	10.3
129.07013	9.6
131.08577	16.8
133.06471	5.0
133.10133	26.9
135.08147	2.6
135.11668	7.7
136.07503	2.4
137.09676	3.8
139.11255	2.8
142.07698	2.9
145.04977	3.3
145.10120	5.1
145.12675	2.1
147.04427	2.6
147.08113	4.6
147.11682	18.6
148.07645	2.9
149.09627	9.5
149.13257	9.2
151.11198	4.4
157.10175	12.4
159.11719	9.5
163.11104	3.9
165.12749	5.4
173.04460	18.5
175.11182	12.6
177.12750	8.5
187.13329	6.8
193.12250	39.0
195.13882	6.2
199.19635	2.2
211.13297	45.7
219.13971	2.4
243.15971	27.4
267.15936	31.0
269.17401	11.0
271.14560	3.0
281.12946	2.9
285.16980	41.2
339.17960	5.0
387.25125	2.8
413.21732	12.5
431.22577	11.2
435.27438	24.8
453.28485	67.3
455.30032	3.9
461.29074	17.9
477.28302	5.0
479.30072	36.6
480.30118	2.4
497.30899	9.4
581.24225	2.9
587.31909	3.0
599.24432	3.8
605.32648	4.2
623.34271	24.1
627.23993	3.1
641.35138	16.0
659.26306	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	659.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	2.3
53.03952	2.9
55.01872	2.5
55.05514	7.5
57.03432	1.1
58.14536	0.4
65.03943	12.3
67.05507	28.0
68.99792	2.8
69.03432	18.5
69.27065	0.9
69.27460	3.8
71.01340	1.3
71.51553	0.4
77.03916	0.6
81.03434	1.2
81.31078	0.4
83.04986	58.6
84.22900	0.4
85.02907	13.1
87.00837	2.2
87.04482	0.6
91.05493	0.7
91.89322	0.4
93.03409	21.5
95.04974	47.6
97.02885	3.6
99.00819	16.7
99.04472	0.6
101.02373	1.8
101.06016	2.0
105.04535	2.3
107.05011	0.5
111.04447	77.9
113.02367	0.7
115.03960	2.0
117.01865	2.5
119.04993	0.8
121.02875	11.0
123.04437	0.7
127.03960	0.7
129.05487	26.7
135.50320	0.4
139.03909	35.4
142.63733	0.4
146.76479	0.4
147.04433	1.4
147.06551	3.0
157.04973	29.4
158.05499	0.4
163.03899	0.8
167.31491	0.5
175.06024	5.7
191.03447	0.7
209.04431	3.7
209.05956	0.4
212.08298	1.6
223.07401	0.5
227.05508	6.5
237.09164	0.7
245.06610	1.7
255.04974	2.3
265.08603	0.6
270.23303	0.5
273.06064	20.0
291.07047	0.8
311.09149	0.4
373.11111	0.5
383.09811	1.0
401.10791	8.3
419.11694	0.7
429.10284	15.1
447.11368	100.0
448.11609	1.2
467.13330	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	2.2
53.03949	3.2
55.01887	2.7
55.05513	8.1
57.03439	1.7
65.03946	15.7
67.05511	35.2
68.52010	0.4
68.73575	0.4
68.99787	2.0
69.03438	24.5
71.01346	2.5
71.53701	0.4
73.02940	0.7
81.03426	1.1
83.01320	0.6
83.04990	67.0
85.02914	16.3
87.00835	3.0
87.04476	1.3
91.05499	1.0
93.03416	24.3
95.04980	47.3
97.02908	3.5
99.00826	22.1
99.01478	0.9
99.04536	0.5
101.02391	2.1
101.06036	1.7
105.04529	1.8
107.04980	0.9
109.02876	0.4
111.04452	87.1
113.02388	1.0
115.03937	1.7
117.01859	4.9
119.04944	1.5
121.02885	10.3
127.03931	0.8
129.05490	31.4
131.04959	0.5
139.03915	36.9
140.04256	0.5
145.02823	0.5
147.04446	1.7
147.06555	4.7
157.04979	39.0
163.03986	1.1
175.06056	6.4
177.05513	2.6
177.06926	0.4
181.12390	0.4
191.03389	0.4
193.07133	0.5
209.04486	3.6
209.09753	0.4
212.08313	4.2
213.09154	1.2
223.07593	0.8
227.05525	6.5
237.09216	1.2
245.06604	2.2
255.04996	4.6
265.08630	1.2
273.06070	21.9
274.06516	0.6
291.07086	0.9
293.08279	1.1
311.09320	1.1
335.11581	0.4
355.10144	0.8
383.09726	1.4
394.98517	0.5
401.10825	9.1
411.09204	0.6
419.12119	0.6
429.10315	19.6
447.11389	100.0
448.11826	1.8
467.13470	3.1
474.31506	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
51.77301	0.4
53.00315	2.0
53.03941	3.7
55.01876	2.5
55.05513	8.3
57.03434	1.0
65.03941	14.1
65.04287	0.8
67.05508	32.4
68.99802	1.6
69.03433	21.8
69.16727	3.6
69.17136	0.8
71.01354	1.9
73.02906	0.5
77.03931	0.6
81.03427	1.0
83.04985	59.6
85.02911	13.9
85.03440	0.5
87.00835	2.3
87.04467	0.7
87.19560	0.4
91.05457	0.4
93.03409	21.3
95.04972	54.1
97.02879	3.0
98.21526	1.0
99.00821	18.1
101.02386	1.4
101.06020	2.0
105.04523	1.9
107.04983	0.6
109.02780	0.4
111.04446	81.3
113.02399	0.9
113.06038	0.4
115.03931	1.8
117.01866	2.7
119.04979	0.7
121.02872	9.8
127.59025	0.4
129.05484	27.6
130.05861	0.5
139.03903	34.0
147.04413	0.8
147.06519	3.4
157.04970	32.0
163.03915	1.2
175.06047	5.5
177.05354	0.5
177.86784	0.4
191.03418	0.7
209.04453	2.9
212.08344	1.1
227.05490	7.7
237.09227	0.9
245.06529	2.0
255.04939	2.5
265.08783	0.7
273.06061	19.9
291.07242	0.8
355.10138	0.5
383.09796	1.0
401.10873	5.9
419.11917	0.7
429.10321	15.8
429.16202	0.8
447.11362	100.0
448.11719	1.5
467.13806	0.9
470.07578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16635	0.9
55.01872	1.3
55.05495	2.4
56.96564	1.6
60.61213	0.9
65.03938	5.2
67.05502	8.6
68.99792	2.4
69.03434	5.8
71.53452	1.2
83.04983	18.2
85.02900	4.9
91.05502	1.0
93.03422	6.8
95.04974	15.9
97.02894	1.8
98.97585	4.1
99.00819	6.4
111.03714	1.7
111.04449	28.7
111.37167	0.8
116.98661	1.2
119.04995	1.0
121.02869	3.7
123.04453	2.1
124.77043	1.0
129.05502	9.1
135.04395	1.4
139.03911	100.0
141.06947	0.9
147.04378	5.0
149.02370	1.1
151.03902	3.3
157.04999	9.8
157.06332	1.5
158.99623	1.5
161.81006	0.9
163.03914	28.8
169.06493	1.4
175.03928	1.1
175.05971	1.2
185.06020	2.6
197.05983	4.9
199.03947	2.3
201.05501	1.1
201.63097	0.9
207.86971	0.9
213.05504	10.8
221.05962	1.8
223.03975	1.4
225.05521	3.3
227.03415	2.0
229.04945	6.6
237.03151	1.6
237.05565	3.0
241.04974	11.5
243.06516	2.8
245.04465	11.5
253.04990	12.0
257.04535	8.0
259.05972	7.5
265.04987	3.5
267.06564	1.6
269.04407	5.4
271.06003	19.5
273.03879	4.1
273.06174	3.5
281.04422	8.9
283.05994	3.5
287.05502	34.1
295.06015	3.9
297.04065	1.4
299.05530	29.4
301.07034	2.8
311.05508	5.1
313.07104	1.6
317.06598	3.5
321.05289	0.9
321.09607	1.9
323.05487	1.6
329.06625	4.3
333.00369	1.1
341.06610	2.6
401.11072	2.1
403.08026	1.5
407.07852	6.3
421.09180	2.3
429.10205	3.9
431.07651	2.1
447.11371	27.4
449.08704	15.5
467.09750	1.5
473.10837	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01865	0.7
55.05497	1.4
57.03429	0.9
57.07076	5.5
58.06602	2.2
58.92751	0.3
65.03940	0.9
67.05508	2.5
68.05038	0.3
69.03448	0.7
69.07079	1.0
70.06598	16.8
71.08633	2.5
71.11571	0.8
72.08150	0.7
72.89555	0.3
78.35433	0.3
79.05507	1.2
81.03429	1.9
81.07063	3.4
83.04993	0.5
83.08627	0.7
84.08123	0.6
85.10197	0.7
86.09747	0.4
88.07636	19.7
91.05487	1.4
93.07035	1.5
94.07384	0.4
95.04953	0.5
95.08627	1.1
97.02899	1.0
97.06482	0.7
97.10153	0.7
102.09187	15.6
105.07035	1.0
106.07326	0.5
107.08601	1.5
109.06505	0.5
109.10176	1.3
116.95142	0.3
117.07030	0.6
119.08560	0.9
120.63661	0.4
121.02891	0.4
121.10197	0.4
125.09628	0.5
127.03862	0.4
131.04916	0.5
131.08560	0.5
132.10236	0.6
133.10167	0.9
134.10551	0.4
135.11659	0.4
139.03937	0.4
143.07057	0.4
145.10138	0.6
146.11771	0.7
147.04445	0.6
147.11685	0.5
149.02351	35.0
149.03299	1.5
149.09662	0.6
149.13219	0.4
159.11646	0.5
173.04440	0.5
175.03960	0.9
177.05527	0.7
178.63947	0.3
189.63965	0.3
191.07016	0.5
193.04979	45.3
195.13812	0.5
212.23801	0.5
219.06564	1.3
225.05505	1.3
237.07578	11.5
256.26370	41.5
257.26730	0.4
267.16031	0.5
269.04489	1.5
292.19965	0.4
297.03970	2.6
300.28937	1.9
313.07083	2.5
341.06570	10.8
359.07660	7.3
385.09207	22.2
429.11844	23.5
461.29193	0.5
497.79160	0.4
596.33148	0.4
640.35394	1.2
658.35919	100.0
659.36420	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	658.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01874	2.6
55.05515	8.8
57.03444	10.9
57.07072	2.2
61.02924	2.8
63.15405	0.7
65.03939	1.9
67.05513	38.5
68.05809	0.8
69.03432	2.2
69.07073	10.1
70.06599	1.0
70.11125	3.3
71.04996	3.0
77.79859	0.8
79.05500	21.7
81.03426	50.7
81.07066	36.5
82.07399	1.2
83.04977	6.2
83.08629	17.0
85.02919	3.9
85.06577	3.5
88.07629	0.8
91.03946	1.4
91.05493	18.4
91.06028	1.6
93.07053	33.8
95.04979	15.4
95.08620	13.0
97.02905	3.3
97.06532	6.2
97.10190	1.5
98.21471	0.8
99.08102	1.8
105.07046	10.5
106.07352	0.9
106.23145	0.8
107.04948	5.1
107.07886	0.9
107.08610	17.3
109.06544	4.7
109.10174	2.3
111.04462	1.3
111.08102	7.2
113.06038	2.1
115.05437	1.0
117.07005	4.7
119.08588	8.2
121.06551	2.3
121.10165	12.4
123.08059	0.8
123.11692	1.4
125.09634	1.1
129.07040	7.5
131.08585	9.9
132.08940	0.8
133.06493	1.8
133.10173	7.1
134.94261	0.8
135.08067	2.8
135.11699	5.2
136.31763	0.8
137.09610	1.4
139.11150	0.9
143.08609	0.9
145.06496	0.9
145.10146	2.5
147.08051	2.1
147.11723	4.9
149.02365	2.5
149.09647	4.5
149.13264	18.2
149.14388	1.3
150.07800	0.7
157.10153	6.6
159.11676	7.8
163.11259	1.5
165.12793	1.8
169.10138	1.2
171.11757	0.7
175.11154	5.8
177.12778	3.5
191.97836	0.8
193.05031	3.2
193.12256	12.1
195.13789	5.4
205.12282	0.9
211.13292	1.3
213.93887	0.7
229.14401	0.9
249.14961	1.9
256.26407	1.8
267.15945	54.8
269.17511	60.5
270.18002	1.1
273.18643	0.8
274.18784	0.8
275.20200	1.0
276.20413	1.2
286.29016	0.7
291.19586	2.7
292.19958	1.5
301.14743	0.7
313.15283	0.8
349.23746	1.9
350.24524	0.9
385.09247	2.4
429.11652	1.2
435.27475	3.1
443.27866	0.9
461.29053	100.0
462.29434	1.2
479.30261	1.2
503.30377	2.5
528.37573	2.0
549.13983	0.8
569.30945	1.0
608.34363	0.9
640.43488	1.3
658.37335	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	658.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
55.05502	1.4
55.24782	0.3
57.03425	0.5
57.07078	5.0
58.06617	1.8
65.03948	0.6
67.05509	3.0
69.03412	0.6
69.07061	1.3
70.06593	16.5
71.04975	0.5
71.08632	2.7
71.11961	0.4
71.12286	0.5
72.08190	0.4
73.02927	0.4
79.05485	1.0
81.03410	1.2
81.07059	2.7
83.04953	0.4
83.08623	0.9
85.02912	0.4
85.10184	0.9
87.44351	0.3
88.07634	17.8
90.52402	0.3
91.05476	1.2
93.07046	1.5
94.07381	0.3
95.04980	0.9
95.08643	1.1
95.58282	0.3
97.02937	0.5
97.10176	0.3
102.09185	13.9
105.03383	0.4
105.07053	1.2
107.08613	1.1
109.06554	0.7
109.10188	0.7
110.10416	0.3
113.93836	0.3
119.08554	0.8
121.02898	0.4
121.10206	0.3
125.09687	0.4
131.08580	0.7
132.10240	0.4
132.76518	0.3
144.67464	0.4
145.10153	0.4
146.11786	0.5
147.04465	0.4
147.11696	0.4
149.02348	32.4
149.03317	1.3
149.13214	0.4
159.11682	0.4
173.04494	0.4
175.03932	0.9
177.05473	1.0
193.04967	41.3
195.00787	0.4
212.23749	0.7
219.06575	1.0
225.05579	0.7
237.07574	10.1
256.26358	39.5
267.15900	0.8
269.04462	1.5
269.17606	0.6
297.04037	2.2
300.29077	2.7
313.07108	1.9
341.06555	9.5
343.08215	0.6
359.07651	7.1
359.12143	0.3
385.09167	21.4
403.10577	0.4
429.11829	25.7
430.12320	0.7
461.28818	0.8
461.35550	0.4
596.32062	0.4
640.34247	0.9
658.35883	100.0
659.36206	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	657.384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24986	1.3
51.02361	1.2
53.03950	6.4
55.01871	7.2
55.05513	22.0
57.03441	14.4
57.07074	2.7
59.04995	2.8
61.02924	1.9
65.03940	3.0
67.05508	79.0
69.03429	12.0
69.06728	1.7
69.07069	21.0
69.07423	2.2
71.01364	1.7
71.05006	18.2
73.02890	2.4
79.05494	36.6
81.03421	32.5
81.07057	100.0
83.04987	16.5
83.08621	17.0
85.02910	8.9
85.06526	7.6
87.04428	1.5
91.05480	27.5
93.07045	49.2
95.04978	7.8
95.08612	21.9
97.02896	12.3
97.06530	12.3
97.10180	7.2
99.04456	4.5
99.08099	3.3
103.03944	2.4
105.07035	16.3
107.04951	5.7
107.08595	33.1
109.02878	6.2
109.06515	5.0
109.10164	23.0
111.04444	5.3
111.08086	5.0
113.06043	1.4
117.07010	11.0
119.08578	9.3
120.08119	1.4
121.06480	3.5
121.10154	14.7
123.04395	1.6
123.08049	2.4
123.11706	10.4
125.09645	6.0
127.03940	6.9
129.05498	9.2
129.06984	3.2
131.08578	12.5
133.10117	14.8
135.08025	3.6
135.11693	8.4
139.11157	2.2
145.10175	3.1
147.08061	1.7
147.11673	4.8
149.09612	3.5
149.13249	22.7
151.11151	4.5
155.10692	1.4
157.10123	3.6
159.11694	12.1
161.09619	1.4
161.13182	1.6
163.11179	3.6
165.12730	2.9
169.12320	1.5
173.04478	12.1
173.11728	5.4
175.11165	2.0
177.12730	5.8
183.06497	1.5
183.13788	2.5
187.13263	3.1
191.01846	1.3
191.10719	1.7
193.12206	3.3
195.13814	10.4
199.13275	2.0
201.14757	1.8
205.27666	1.2
211.13260	1.9
213.14867	2.4
225.15001	1.4
227.12677	3.2
229.14369	11.2
241.65887	1.3
243.16011	2.5
266.76419	1.4
267.15942	2.2
269.17505	31.0
275.20105	3.3
291.19565	4.9
301.20114	1.5
303.15799	2.0
321.17303	1.7
339.18073	2.6
349.23599	2.1
365.22888	1.4
395.20459	2.0
413.21494	3.1
423.27539	6.2
437.29022	29.8
445.24310	4.8
451.30536	4.4
463.30576	75.2
477.28186	2.2
495.33884	12.2
559.35864	5.1
607.34485	8.3
639.36969	15.5
657.34393	5.4
657.44147	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	7.0
55.01874	6.8
55.05519	24.3
57.03446	13.1
57.07069	1.0
61.02916	2.4
65.03941	1.8
67.05510	30.4
69.03085	1.7
69.03433	15.9
69.07079	9.3
71.01350	1.4
71.05013	7.4
71.54391	1.4
73.02929	2.5
79.05502	31.6
81.03428	100.0
81.07068	38.0
83.04992	31.3
83.08630	33.7
85.02435	2.0
85.02917	28.0
85.06554	2.7
87.04496	1.3
91.05492	38.7
93.07058	23.9
95.04979	31.4
95.08620	12.9
97.02905	16.3
97.06525	5.9
97.10177	9.9
99.04497	5.4
99.08122	1.0
103.05467	1.4
105.07040	26.0
107.04971	10.4
107.08612	12.7
109.02896	11.7
109.06543	6.6
109.10170	4.2
111.04469	12.8
111.08102	11.8
113.06005	2.2
115.05514	1.9
117.07021	6.1
119.04950	1.6
119.08598	27.3
121.06496	5.2
121.10158	14.3
123.04478	1.3
123.08092	3.9
123.11703	3.8
125.09664	6.8
127.03941	10.7
129.05527	6.6
129.07018	15.8
131.08578	15.1
133.06500	4.2
133.10153	15.7
135.08098	2.0
135.11723	4.3
137.09665	1.5
141.07045	1.1
142.07800	1.7
143.08614	1.6
145.06474	2.4
145.10181	5.2
147.08089	4.9
147.11697	21.1
149.06023	1.5
149.09630	7.3
149.13336	1.1
153.09116	1.7
153.12718	1.4
155.08580	1.1
157.06567	1.3
157.10146	16.3
159.08011	1.3
159.11708	2.6
161.09628	1.0
163.11232	3.9
165.09210	1.1
165.12761	5.8
169.06429	1.2
169.10225	1.5
171.08142	1.0
172.69043	1.0
173.04482	3.0
175.11191	16.9
177.05373	1.3
181.12177	2.4
183.06551	1.5
189.11261	3.4
189.12794	1.7
191.10715	2.8
193.12273	55.4
195.13805	1.1
199.11398	1.2
201.36607	1.1
205.12302	1.7
209.11671	2.0
211.13309	78.4
212.13672	1.1
215.14430	1.3
227.12727	7.6
229.14346	4.6
233.15462	2.9
235.13322	1.9
249.14912	2.5
267.15942	31.0
273.14755	2.5
277.14407	1.8
283.15558	2.2
285.17001	33.0
301.14346	3.8
313.16980	1.4
319.15381	1.9
337.16534	3.8
339.23135	1.2
341.21100	1.7
355.17746	6.1
359.22122	3.7
367.22714	5.2
375.18079	1.4
385.23761	6.8
393.19107	3.1
403.24750	2.4
411.20163	4.7
429.21213	10.4
431.27963	3.3
433.25909	4.6
441.26501	2.1
449.29080	1.6
451.26898	3.8
459.27487	23.4
477.28525	32.6
493.27646	1.5
495.29544	38.1
511.28748	1.6
519.29712	1.5
585.30609	2.9
603.31512	3.7
604.35907	1.3
621.24353	1.1
621.32947	11.0
639.33820	39.1
657.34259	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	657.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.4
55.01886	13.7
55.05521	26.2
57.03441	25.3
57.07096	1.9
59.05000	4.3
65.03931	3.5
67.05514	100.0
69.03439	35.7
69.07072	15.6
70.64647	3.6
70.65012	2.7
71.01373	2.2
71.05007	14.4
73.02925	5.5
79.05019	1.6
79.05493	33.8
81.03429	61.2
81.07064	61.7
82.03764	1.6
83.04984	18.1
83.08613	16.9
85.02912	17.8
85.06536	3.5
87.04457	3.6
91.04920	2.0
91.05486	30.0
93.07061	34.6
95.04991	11.3
95.08624	22.8
97.02896	28.2
97.06550	10.6
97.10177	13.3
99.04454	9.1
99.08112	3.5
102.09204	2.7
103.03945	2.1
105.07047	17.2
107.04946	9.9
107.08600	23.8
109.02906	9.9
109.06528	7.1
109.10172	56.3
111.04469	8.5
111.08089	7.4
113.02404	2.3
113.06017	2.3
115.05518	1.6
116.04725	4.0
117.07045	9.3
119.08591	14.9
121.06555	3.1
121.10163	11.7
123.04413	2.0
123.08070	4.1
123.11733	3.6
125.06102	1.9
125.09650	16.4
127.03080	2.2
127.03930	15.8
129.05495	23.6
129.07011	3.7
131.08588	10.1
133.06493	1.9
133.10191	10.4
135.08041	2.2
135.11671	9.6
137.09615	5.1
143.07056	4.3
145.10109	7.8
147.08049	2.8
147.11710	5.4
149.09613	2.5
149.13258	12.7
153.12772	4.7
155.10678	5.3
157.08623	4.4
159.11729	7.1
163.11189	10.8
165.12741	2.2
171.11584	2.0
173.04474	39.9
173.11768	22.4
175.11166	2.6
177.12799	3.6
181.12268	2.9
185.11749	4.6
185.13344	2.1
189.11366	2.3
191.10628	2.3
193.04970	4.8
193.12285	4.7
195.12067	2.6
195.13808	11.1
199.13315	4.1
209.11803	8.4
211.13312	4.6
213.14876	2.4
227.12834	8.9
229.14357	49.1
267.15906	3.0
269.17480	27.8
273.18503	3.8
275.20227	4.0
283.15448	3.7
285.16965	2.5
291.19574	6.6
301.16650	1.8
349.23758	3.0
353.15900	2.7
423.27383	12.9
445.20737	6.8
477.28699	8.1
495.29303	7.5
559.36298	3.4
621.32928	4.0
639.33661	13.8
639.42712	2.6
657.27209	2.3
657.36230	15.5
658.36334	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	657.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75315	1.8
53.03950	9.0
55.01875	6.1
55.05518	23.3
57.03438	17.5
65.03934	2.9
67.05508	29.3
69.03427	16.6
69.07092	9.4
71.04982	7.6
71.07089	1.8
71.07430	2.4
79.05495	33.2
81.03419	100.0
81.07061	37.3
83.04987	32.1
83.08619	27.0
85.02910	28.6
91.05486	35.2
93.07049	22.5
94.52374	1.7
95.04971	32.8
95.08618	16.3
97.02896	14.2
97.06538	10.2
97.10185	11.2
99.04451	6.5
103.03899	1.8
105.07035	30.2
107.04961	10.6
107.08588	16.2
109.02902	9.5
109.06545	8.8
109.10159	6.3
111.02254	1.8
111.04450	11.6
111.08057	14.1
113.05984	3.8
116.06287	2.0
117.06997	4.6
119.04971	2.0
119.08582	25.1
120.61308	1.8
121.06519	3.8
121.10164	14.4
122.25144	1.8
123.04408	3.3
123.08051	2.6
123.11720	4.6
125.09619	7.1
127.03906	8.1
129.05501	10.1
129.06993	12.3
131.08559	12.8
133.06476	3.9
133.10146	15.7
135.08035	2.3
135.11737	2.7
137.05992	2.4
137.09645	3.8
141.07010	2.4
142.07755	3.1
143.08600	2.1
145.10138	6.0
147.04420	3.1
147.08022	3.6
147.11693	20.8
149.09612	7.7
153.12720	3.5
157.10129	13.4
159.11707	2.4
163.03964	2.5
163.11192	8.0
165.09146	2.0
165.12723	6.3
173.04453	2.8
175.11189	18.7
181.12160	2.5
189.11230	2.4
191.10646	3.4
193.12256	57.3
197.13249	2.0
205.12212	2.4
211.13301	78.8
211.15285	4.4
217.12337	2.4
219.13704	2.9
227.12802	9.1
227.88901	1.6
231.13673	1.7
249.14848	2.6
267.15918	32.9
273.14957	2.3
283.15479	2.3
285.16949	34.7
293.17303	1.9
301.14365	2.9
319.15524	2.3
336.46820	1.8
337.16492	2.6
355.17520	5.3
359.22055	4.1
367.22568	5.8
385.23633	4.7
393.19049	4.0
403.24850	3.2
411.20114	7.3
429.21558	11.0
459.27472	26.4
477.28543	35.7
495.29578	40.1
603.31042	3.4
621.32611	10.5
639.33789	36.6
657.34387	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06199	2.4
53.03921	3.5
55.05500	3.1
60.05624	3.4
65.63758	2.6
65.68276	2.3
67.05508	27.0
69.07066	10.3
71.08630	5.9
71.54398	3.5
79.05510	19.1
81.03413	3.7
81.07056	22.9
83.08600	6.7
91.05490	13.2
91.40412	2.3
93.07063	19.7
93.27085	2.4
95.04974	4.0
95.08604	15.0
97.06551	2.6
97.10156	3.6
105.07027	7.3
107.08597	11.7
109.10145	8.4
119.08597	5.3
121.10143	8.2
131.08519	3.9
133.10115	3.5
135.11665	8.0
143.08513	2.5
145.10144	4.8
147.11571	3.2
163.11136	6.0
170.95023	2.9
178.88812	2.2
179.14380	13.5
227.12799	5.5
237.13966	2.9
277.21555	7.5
312.01660	3.0
332.29459	2.4
377.17834	4.6
379.19376	6.7
394.17813	3.1
407.18268	3.8
409.20096	4.4
421.19916	4.3
422.21207	5.0
422.30032	2.9
423.21848	19.1
433.20477	4.1
435.21722	8.0
437.23419	5.6
449.23572	3.2
451.21405	4.7
454.20096	5.0
461.23300	11.1
463.21640	4.9
465.22891	3.4
466.23340	3.4
477.23172	6.2
479.24466	6.4
482.22952	3.2
493.22171	7.5
494.26382	5.0
495.23962	9.7
496.24203	8.9
508.24902	13.3
509.25836	11.9
510.26279	9.8
511.26834	9.5
521.25183	5.5
522.25916	3.1
523.22998	5.5
537.25128	22.7
538.25854	8.6
545.30511	3.6
545.38397	50.3
551.22333	3.5
553.27612	8.7
570.28656	5.4
581.27484	18.0
583.25134	5.5
597.18347	2.7
597.27173	40.7
598.26978	4.0
613.20270	4.0
613.30286	74.8
625.26636	100.0
657.28723	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	657.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64948	1.9
55.05508	3.7
57.28682	1.7
60.05648	3.6
60.63610	2.0
67.05500	11.4
69.07066	3.9
71.08620	1.8
71.14425	3.5
75.48930	2.2
79.05489	5.1
80.61903	1.8
81.07038	9.4
83.08611	2.1
91.05482	4.5
93.07053	8.6
95.04984	2.2
95.08604	6.5
105.07050	4.4
107.08566	5.8
109.10187	3.2
119.08608	3.4
121.10166	4.3
125.50218	1.8
128.02620	1.8
133.10147	4.0
135.11696	5.8
145.10173	2.0
151.11015	2.0
155.36722	1.7
163.11215	2.1
179.14346	6.0
227.12814	4.5
316.73419	1.9
345.23209	2.0
364.17468	3.1
366.18906	2.9
377.17926	3.4
379.19019	2.8
381.20892	2.4
391.19244	5.8
393.16843	3.2
405.20898	4.0
407.18030	3.7
407.22787	4.0
408.19357	3.6
409.20316	2.9
421.19962	5.1
422.20993	2.3
423.21936	17.3
435.21793	7.8
437.23669	3.8
444.06857	1.9
447.21912	2.2
449.23608	3.3
450.24030	2.6
451.21237	6.1
452.23181	2.4
454.19885	3.3
461.23380	7.1
462.20612	2.7
463.20953	2.3
465.22934	2.9
467.24112	3.1
477.22784	7.4
478.23975	2.4
479.24780	4.3
481.22226	3.6
493.22375	6.3
494.26321	3.9
495.23618	11.1
496.24646	5.9
508.24680	13.7
509.25690	10.4
510.26630	11.8
511.27298	14.5
521.25085	6.2
523.23254	5.0
537.25006	12.7
538.25562	5.7
545.38281	27.0
553.28070	10.4
565.24445	3.3
570.28009	2.5
581.27570	19.8
583.25232	4.0
597.27081	42.3
598.27502	6.6
613.20184	4.0
613.30237	77.2
625.26556	100.0
626.26569	3.6
657.29083	12.7
674.39459	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	656.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17082	4.6
55.05508	5.4
57.07076	9.1
60.05653	8.7
65.39307	4.1
67.05509	11.2
69.07068	5.2
71.08662	5.4
72.23417	4.7
79.05505	7.1
81.07050	16.0
85.10184	12.1
91.05456	5.9
93.07047	7.2
95.04984	4.9
95.08604	9.1
101.76179	5.2
105.07048	8.6
107.08617	10.6
113.09645	26.0
119.08559	7.9
123.08110	6.1
144.56779	5.0
163.11185	9.7
165.12796	28.3
179.14275	4.5
201.16306	6.1
215.34055	4.2
219.17401	9.8
226.03096	4.3
262.75449	5.3
273.12411	6.0
277.21637	59.3
295.22711	100.0
466.10004	5.7
467.11053	5.5
481.12411	6.1
494.09818	9.1
496.15451	26.8
508.11102	14.3
522.13306	10.9
523.13550	35.1
545.38159	7.9
596.16760	61.0
597.16534	7.4
656.18298	38.2
656.48749	8.9
672.58051	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	656.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.4
57.03436	1.4
57.07084	11.2
59.04997	4.5
61.20454	0.9
65.03949	1.6
67.05511	85.6
69.07052	4.4
69.15997	8.0
69.16411	2.5
71.04981	1.9
71.08642	8.8
72.08160	1.3
74.06076	1.4
77.32263	0.9
79.05480	1.8
81.07063	16.7
83.08624	8.8
85.06548	1.7
85.10192	5.8
91.05476	3.8
93.07038	2.3
95.08611	13.0
97.10194	1.9
100.07616	8.0
107.08535	2.1
109.10167	65.1
111.08083	3.0
119.08597	6.8
123.11721	1.6
128.21774	1.0
134.72778	1.0
137.09665	2.2
155.10651	3.7
173.11758	14.2
229.14471	1.7
230.04326	1.0
234.79524	1.0
239.23671	1.8
383.24316	86.6
400.36240	2.0
401.74631	1.1
467.37396	100.0
468.37164	1.2
476.43011	1.1
504.09656	1.0
638.58801	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	655.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41796	0.7
53.03951	0.9
55.05521	4.6
57.03440	3.7
57.07079	38.5
57.49369	0.6
61.02932	6.5
67.05187	0.9
67.05509	13.0
69.03418	1.0
69.07078	8.3
69.56801	0.6
71.04977	0.7
71.08244	1.6
71.08636	27.6
71.53970	0.9
73.02903	3.4
75.04465	1.6
79.05486	3.3
81.03420	1.3
81.07063	17.0
83.08617	10.0
85.02907	9.3
85.06529	0.8
85.10184	16.3
91.03961	8.0
91.05501	1.1
93.07041	2.0
95.08611	21.5
97.02897	4.5
97.10176	5.7
99.11714	0.8
105.07021	1.7
107.04888	0.8
107.08577	1.8
109.10164	11.6
111.11724	1.0
115.56055	0.8
117.07018	1.1
119.37187	0.7
123.11718	3.7
125.13294	1.3
127.03905	3.4
129.06998	0.7
131.08517	1.5
137.13258	2.2
139.00920	0.6
143.08508	0.7
145.04935	4.0
145.10188	0.8
151.14777	1.3
153.31766	0.7
159.67725	0.7
163.06013	6.2
220.17488	0.8
220.31876	0.8
239.23711	22.6
239.26109	1.2
245.82657	0.7
257.24777	4.6
296.29123	0.7
313.27374	100.0
314.04602	0.7
314.27780	0.7
331.28424	18.0
357.14539	0.7
407.20731	0.8
465.41357	0.9
475.32718	2.9
637.26868	0.9
637.39246	0.8
655.26990	1.3
655.41864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.8
53.03943	6.6
53.12866	1.7
55.01861	8.1
55.05516	32.6
57.03447	12.0
57.07058	2.2
59.04996	2.6
61.02916	2.0
61.80959	1.5
61.90970	1.6
62.65170	1.5
65.03943	2.6
65.60523	2.0
67.05510	50.3
69.03432	25.1
69.07067	15.7
71.01357	2.0
71.05006	15.5
71.06944	2.6
71.07269	1.9
73.02919	1.9
77.30780	1.8
79.05498	43.6
81.03423	71.6
81.06590	2.7
81.07060	52.0
83.04989	30.1
83.08631	18.4
85.02926	12.4
85.06551	5.2
88.94831	1.9
91.05482	39.8
93.07053	41.5
95.04970	21.0
95.08618	26.2
97.02890	10.5
97.06522	7.8
97.10183	17.9
99.04444	9.9
99.08108	2.3
105.04546	2.4
105.07037	41.6
107.04980	10.6
107.08614	27.2
109.02877	7.2
109.06561	10.1
109.10168	15.7
111.04443	7.6
111.08086	6.9
115.05446	2.1
117.07023	17.2
119.04964	2.7
119.07818	2.3
119.08594	31.5
119.14030	2.1
121.06543	10.7
121.10133	11.6
123.04410	2.4
123.08062	7.0
123.11710	3.3
125.09640	15.3
127.03925	10.3
128.06212	3.1
129.04611	1.8
129.05528	10.8
129.07002	19.0
130.07727	1.9
131.04912	2.4
131.08577	31.2
133.06497	8.2
133.10159	14.7
135.08046	8.3
135.11688	6.8
137.05942	2.5
137.09564	3.0
141.07005	6.0
141.09154	1.9
142.07773	2.8
143.08548	15.7
145.06516	10.0
145.10141	16.0
147.08049	7.5
147.11713	14.2
149.09596	8.2
149.13257	4.9
153.07001	3.9
153.09071	2.3
155.08586	9.0
157.06433	2.3
157.10167	14.3
159.08011	6.0
159.11661	8.7
160.05151	2.4
161.05983	2.8
161.09642	5.7
161.13303	2.7
163.07506	2.0
163.11172	6.0
165.12769	3.1
167.08562	4.7
169.10135	7.5
171.07996	3.4
171.10303	2.1
171.11703	7.3
173.04506	18.5
173.05873	4.1
173.09621	4.0
173.11897	2.4
173.13322	4.9
175.11240	6.2
177.12692	2.6
179.08572	3.1
181.10120	3.4
183.11682	5.7
185.13214	5.3
187.14943	2.5
189.09175	2.6
189.11230	7.5
193.10257	2.9
193.12251	10.3
195.11763	3.9
195.13770	2.5
197.13338	4.1
199.11086	3.1
199.14825	8.2
201.12753	3.4
203.14305	2.6
209.07359	2.2
209.13309	2.7
211.11356	3.2
211.13287	4.8
211.14937	3.0
215.14275	3.1
217.15877	9.0
219.13820	2.2
221.13254	5.3
221.15303	3.8
225.14691	2.4
227.12630	9.0
229.14287	2.4
239.14331	3.5
243.13686	3.2
249.14838	3.0
261.14600	1.9
267.15842	10.8
269.17538	4.4
271.13266	3.3
275.16708	2.2
289.14490	2.0
291.19479	3.0
316.23453	2.1
333.21933	2.2
341.24719	4.9
351.23126	10.9
359.25986	2.0
369.24289	18.3
387.25311	13.5
405.26288	4.4
413.21603	2.7
425.26923	2.9
431.27765	3.5
433.29532	7.3
435.27386	8.4
437.28885	6.0
439.27225	2.8
443.27960	45.6
459.27505	2.4
461.29037	100.0
475.31021	11.4
479.29929	5.3
485.28687	2.3
493.31647	47.3
503.29886	3.3
569.30902	2.8
587.31940	5.1
605.33234	10.0
623.33832	7.2
637.36169	11.1
655.37750	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	655.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.3
58.92332	0.2
60.09237	0.2
67.05500	0.5
69.07076	0.2
69.23998	0.2
69.24397	1.6
71.05003	0.2
75.04473	0.3
79.05507	0.4
81.07053	0.3
91.05479	0.2
93.07031	0.3
98.21629	0.3
98.41234	0.2
105.07051	0.3
107.04944	0.2
120.02535	0.2
147.68193	0.2
273.18463	0.2
278.30255	0.2
377.17981	0.4
390.18564	0.3
391.19144	1.6
392.20004	0.6
393.20624	0.4
404.15936	0.3
404.20645	0.3
405.16605	1.8
405.21109	0.5
406.17667	0.6
406.21893	0.5
407.17764	0.3
407.22449	3.8
408.22931	0.5
418.17950	0.6
418.22330	0.3
419.18240	2.9
420.18933	1.3
420.24152	0.3
421.19778	1.3
432.19653	0.5
433.15561	0.5
433.20654	4.6
434.21167	4.5
435.21835	8.5
436.22586	0.8
445.20435	0.2
446.21054	0.4
447.17868	1.6
447.22162	1.8
448.18713	0.9
448.23083	1.0
449.19073	1.9
461.19708	1.2
461.24377	0.6
462.20380	4.5
463.21194	4.1
465.23267	0.5
475.21326	1.8
476.21985	1.0
477.22736	1.4
478.24033	0.4
479.20123	1.1
481.26767	0.3
489.22934	1.0
490.23734	0.4
491.20319	0.3
493.22284	0.8
493.26938	0.3
494.23111	0.4
495.23828	1.3
505.22299	0.6
506.23343	0.6
507.20438	0.9
507.24203	0.8
508.24713	1.9
509.25644	1.6
517.22278	0.3
521.25671	12.4
522.25745	0.4
525.24841	0.2
534.22742	0.3
535.26453	0.6
537.25183	0.2
547.27307	0.3
549.25000	18.1
550.25659	0.5
553.23975	1.3
563.26715	3.4
564.26965	0.7
565.27686	0.4
567.26056	0.3
577.24799	0.6
580.24481	0.2
581.27753	3.0
594.26953	0.3
595.29346	11.2
596.29535	0.4
607.28906	0.5
609.27051	11.4
610.26910	0.4
623.28577	1.3
627.31012	0.3
632.61377	0.2
655.31256	100.0
656.31671	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	655.2769
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
53.79285	1.1
55.05506	2.8
55.93232	1.2
57.07067	3.1
67.05500	3.2
67.62133	1.2
71.53101	1.5
79.05489	2.0
81.07057	3.7
83.04990	10.5
91.05462	1.5
93.07072	1.4
95.08597	1.2
101.07973	1.1
103.88403	1.1
105.07037	2.5
111.98846	1.1
117.06950	1.5
126.22720	1.1
129.07014	2.5
131.08585	1.1
139.93872	1.2
155.08487	1.3
175.01558	6.9
181.02583	7.7
202.24823	1.2
215.08611	1.2
222.70142	1.2
227.04694	2.6
237.13786	2.2
238.14685	1.7
239.15446	1.5
240.74968	1.2
257.05627	2.3
261.13940	1.7
263.15369	1.7
279.15036	1.5
313.12091	4.8
369.18298	1.9
377.17776	1.4
404.19873	1.8
406.17856	1.3
417.21176	1.4
418.21753	1.9
420.19992	1.7
431.22720	1.6
433.24191	3.5
434.17606	1.8
437.23639	1.4
448.18967	2.4
461.19550	3.2
462.20590	2.5
463.21420	11.3
472.18661	1.3
475.21246	1.5
477.18240	7.5
480.20956	1.7
489.19064	1.6
491.25232	2.0
492.25375	2.1
501.22879	7.5
504.21060	1.5
519.23511	1.8
533.26141	6.7
535.23529	5.5
536.24115	2.5
543.18872	3.5
547.23431	2.0
549.21771	2.4
550.25818	3.4
551.26288	4.3
553.24445	2.4
561.25189	2.6
565.28149	37.7
566.27313	1.9
567.26434	1.5
575.26123	1.7
577.24213	2.0
579.26062	6.1
583.29034	5.4
585.27026	3.4
593.27771	6.0
594.24872	1.8
595.25574	11.3
599.25348	10.1
609.27081	11.5
611.28387	4.1
613.26660	14.5
623.25146	9.1
637.26331	5.9
655.27527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2763
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
53.95635	0.3
55.05513	0.7
59.15945	0.3
67.05520	1.7
69.07063	0.6
69.23789	3.3
79.05495	1.5
81.03406	0.5
81.07073	2.3
83.08617	0.5
90.05113	0.3
91.05479	1.3
93.07040	1.3
95.04971	0.9
95.08611	0.9
98.21506	0.8
105.07040	1.1
107.04951	0.4
107.08600	0.6
107.73397	0.3
108.08060	0.3
108.36012	0.3
109.06531	1.2
109.10164	0.7
114.58101	0.3
117.07018	0.4
119.08585	0.5
119.76911	0.3
131.08539	0.5
133.10094	0.9
135.08072	0.7
135.11621	0.4
145.10129	0.6
221.10951	0.3
269.97656	0.4
273.18634	0.8
273.67697	0.4
275.20227	0.4
291.19528	1.1
347.22333	0.5
377.17651	1.5
379.19278	0.5
389.17758	0.7
390.18658	0.7
391.19458	2.4
392.19986	0.9
393.20804	0.6
403.19464	1.0
404.20572	0.7
405.16446	2.8
405.21304	1.1
406.17352	0.5
406.22110	0.8
407.18481	0.4
407.22513	4.1
417.16776	0.5
418.17780	1.7
419.18347	4.9
420.19223	2.4
421.20364	1.5
432.19687	1.0
433.20438	8.6
434.21185	4.9
435.21854	5.1
436.22565	0.5
445.20816	0.4
446.20917	0.7
447.18039	2.1
447.22449	1.3
448.23276	0.4
449.19730	1.1
450.20660	0.5
451.21133	0.5
461.19635	1.2
461.24399	0.5
462.20663	3.0
463.21255	4.1
465.18771	1.8
470.05457	0.3
475.21320	1.6
479.20844	1.0
489.22763	0.6
490.20175	1.3
491.20932	1.0
493.22314	1.1
503.21405	0.6
505.22626	1.0
506.23230	0.4
507.19327	0.6
508.21136	0.7
513.50769	0.3
520.24835	1.1
521.25781	7.2
543.37000	0.8
548.24603	0.6
549.25067	11.6
552.24048	0.6
557.38806	0.6
565.24756	1.0
577.24451	8.3
580.26563	1.2
581.27631	1.7
595.25537	5.6
609.27045	3.7
619.25110	0.4
637.26630	6.0
655.27618	100.0
656.27936	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	655.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.8
55.01857	1.4
55.05482	2.5
57.03421	1.1
61.02914	0.6
67.05507	4.3
68.99769	2.0
69.03391	1.8
69.07053	1.4
71.04977	1.1
71.53178	0.9
77.03918	0.8
79.05496	3.9
81.03423	6.3
81.07057	4.1
83.04961	1.3
83.08590	1.2
84.55688	0.6
85.02878	2.4
89.58509	0.6
91.05489	4.9
93.07064	2.9
93.62984	0.5
95.04980	2.8
95.08569	2.6
97.02861	2.0
97.06510	0.7
97.10136	0.9
105.03366	2.3
105.07009	2.5
107.04950	2.9
107.08553	2.3
109.02867	1.1
109.10124	1.9
111.04424	1.3
115.05447	1.1
119.04968	1.0
119.08561	2.0
121.02863	1.1
121.10132	1.5
123.04443	9.3
123.11691	0.7
127.03895	1.9
129.07036	1.3
131.04929	0.9
131.08578	1.4
133.02911	3.0
133.03708	0.6
133.06508	0.7
133.10094	1.1
134.03658	0.8
135.04449	3.9
135.11679	2.0
137.09659	0.8
139.03888	1.0
141.07010	0.9
145.06392	0.9
145.10129	1.1
147.04366	1.8
147.07933	0.6
147.11728	1.1
149.09615	0.9
151.03966	0.8
153.01807	0.7
153.77853	0.6
157.10072	1.0
159.08047	1.8
161.02350	1.7
161.07269	0.5
163.03931	11.9
163.11147	1.4
169.06401	0.7
171.04260	0.5
172.95508	0.5
173.04539	1.1
173.05965	1.6
175.03871	0.9
175.07590	3.3
175.08815	0.6
175.11061	0.6
177.05429	1.2
181.06496	0.8
183.04446	0.8
184.07350	0.9
187.03864	1.2
191.03412	25.7
192.04163	1.9
193.12244	1.7
195.08109	0.6
197.05940	0.8
200.04741	1.1
201.05464	2.7
203.03368	4.1
203.07042	1.7
205.08525	1.0
209.06009	0.6
209.11783	1.9
211.03946	3.2
211.13306	2.5
213.05533	1.1
215.07054	1.1
221.06180	0.7
225.05461	1.4
227.03362	1.8
227.06992	0.9
227.12787	1.3
228.04190	1.9
229.05009	7.5
233.08098	52.8
237.05524	1.0
237.47179	0.7
240.07901	0.7
241.05032	0.9
243.06485	3.5
245.04504	1.5
247.05898	3.0
249.05519	1.0
251.07133	1.1
251.10657	1.2
253.05029	2.0
253.08601	6.2
255.02888	5.7
255.10178	0.7
257.04456	1.7
265.04990	1.0
265.08319	1.0
267.06482	1.0
267.15820	1.5
268.07370	0.9
269.04462	2.6
271.06042	81.0
272.06183	0.9
273.03918	1.2
276.07895	0.8
277.04901	0.8
279.06531	3.0
279.09726	0.9
281.11801	0.8
283.06030	7.8
283.09613	5.1
283.15363	1.2
291.06641	0.9
291.10135	1.0
292.07071	0.9
293.04788	1.0
293.08066	2.6
293.11511	1.0
294.05096	1.4
294.12762	0.6
295.06284	1.2
295.09686	2.4
297.07504	0.7
305.04480	2.5
307.06000	2.3
307.09644	2.3
319.06155	0.8
319.09924	0.7
321.11179	1.6
322.12073	2.4
329.08109	0.9
331.05930	0.8
331.09857	0.8
335.09238	2.8
337.07043	9.5
345.03714	0.9
347.05511	1.0
347.09329	1.4
349.10797	5.0
351.08716	1.5
355.06082	1.1
357.03833	0.9
357.07761	1.0
359.05392	1.4
367.11786	45.2
369.07629	1.2
371.05447	1.3
377.10233	8.7
379.07767	1.0
379.11835	11.8
385.06668	1.1
385.10950	0.9
387.08875	1.5
397.06924	1.6
399.04950	2.1
401.10422	1.6
403.11615	1.8
409.12845	65.9
413.06256	1.1
427.11893	2.5
429.09964	5.7
441.06021	4.5
453.10477	1.0
471.10788	100.0
472.11176	2.2
473.12704	0.8
475.26373	0.8
483.10825	15.3
485.12411	2.2
487.13553	3.2
497.12131	1.5
501.15564	1.4
503.13434	15.6
511.13840	3.2
515.13416	21.6
529.15094	7.7
637.17102	42.4
655.18170	74.1
656.18530	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3534
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03954	14.3
55.01873	7.5
55.05509	28.9
57.03447	16.9
58.37550	2.1
59.05017	2.2
61.02926	2.7
65.03935	4.2
67.05505	61.9
69.03427	26.2
69.07082	12.8
70.06558	2.9
71.05003	10.8
71.05334	2.0
71.53566	3.1
79.05494	78.3
80.49490	2.2
81.03419	99.8
81.07059	55.8
83.04983	31.6
83.08615	28.7
85.02898	19.3
85.06551	5.6
91.05480	78.2
93.07043	64.6
93.52617	2.2
95.04967	40.9
95.08617	23.1
97.02876	16.1
97.06528	7.9
97.10152	7.1
99.04454	6.4
99.08142	2.9
100.88641	2.3
105.04520	2.9
105.07035	49.7
107.04971	16.6
107.08595	23.3
109.02886	11.0
109.06524	8.9
109.10171	10.4
111.04438	12.0
111.08077	10.1
111.48663	2.6
117.07031	10.0
119.04936	2.1
119.08595	40.8
119.09457	2.3
121.06489	4.3
121.10137	13.9
123.08104	6.0
123.11666	4.6
125.09609	3.9
127.03937	10.4
128.06259	4.8
129.05482	5.6
129.07022	22.7
131.08562	18.6
133.06564	4.4
133.10144	19.0
135.11674	5.3
137.09596	4.2
141.06946	2.4
143.08565	9.5
145.10114	13.9
147.04388	3.4
147.08057	7.0
147.11682	40.8
149.09619	7.8
155.08643	3.0
157.10130	12.9
159.11723	3.0
161.09621	5.1
161.13266	10.0
163.03851	2.4
163.11194	4.9
165.12714	3.3
167.08527	3.0
171.11674	27.3
175.11195	9.3
181.12199	2.7
189.12746	8.6
193.12242	39.8
207.13805	26.9
211.13287	42.1
227.12704	4.8
241.15794	2.4
249.14880	3.4
267.15906	43.1
281.17453	66.1
281.20340	4.5
285.16998	14.7
287.16336	4.2
327.45547	2.6
355.17459	4.3
374.12726	2.7
381.24347	2.7
411.20102	3.6
425.21326	2.7
429.21164	21.1
473.29001	100.0
491.29953	21.0
617.32947	3.7
635.34174	51.6
653.32947	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	653.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	13.3
55.01864	7.2
55.05316	2.6
55.05513	28.9
57.03443	18.0
60.83849	2.4
63.80817	2.5
65.03933	6.1
67.05508	68.8
69.03426	23.3
69.07066	19.6
71.04986	11.1
71.54655	2.5
79.05024	2.9
79.05494	91.1
81.03419	99.4
81.07062	69.8
83.04985	32.2
83.08630	28.7
85.02912	21.4
85.06545	3.1
91.05484	82.1
93.06494	4.6
93.07051	75.0
95.04975	42.5
95.08611	35.5
97.02917	15.7
97.06519	9.8
97.10177	7.1
99.04454	4.9
105.06402	4.3
105.07040	47.6
107.04960	15.8
107.08585	28.2
109.02880	12.7
109.06528	9.1
109.10147	10.0
111.04444	9.2
111.08080	8.4
113.06010	2.9
115.05449	4.8
117.07014	17.1
119.08588	38.1
121.06517	6.1
121.10164	17.1
123.08093	5.3
126.63407	2.4
127.03874	9.1
128.06216	5.2
129.05504	5.2
129.07025	25.3
131.08580	20.0
133.06522	5.5
133.10139	25.2
135.08029	2.9
135.11708	8.1
137.09615	3.9
142.07796	6.6
143.08559	9.2
145.06537	3.3
145.10120	12.9
147.08041	6.1
147.11696	45.6
149.09602	7.6
149.13275	4.7
155.08534	3.4
157.10185	13.4
161.09604	7.3
161.13228	10.0
163.11154	7.0
165.09189	3.2
165.12650	4.4
169.10147	2.7
171.11688	23.5
175.11198	14.9
177.12700	6.0
189.12749	9.6
193.12236	31.5
207.13809	34.2
211.13286	38.3
227.12776	8.5
247.13370	2.9
250.01459	2.8
267.15976	37.4
269.15369	3.8
281.17480	100.0
285.17068	14.8
287.16479	5.0
315.13040	2.8
333.14389	5.2
355.17706	3.9
429.21240	11.3
473.28983	80.8
491.30139	34.7
571.32422	3.5
635.34271	40.6
653.33112	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	653.3531
Annotation	Withanoside III
Peak:m/z	Relative Intensity
52.94296	1.4
53.03949	9.0
55.01871	3.0
55.05515	19.9
57.03444	13.4
59.89225	1.5
65.03935	3.6
67.05508	48.0
69.03433	10.6
69.07076	8.4
69.35558	5.4
69.35965	6.9
71.04981	7.2
79.05495	61.1
81.03423	83.9
81.07062	47.1
83.04990	26.9
83.08244	1.7
83.08635	18.4
85.02908	15.0
85.06527	1.6
87.04436	1.7
91.05486	54.5
93.06488	3.6
93.07043	51.5
95.04976	34.6
95.08613	20.0
97.02891	11.6
97.06506	6.6
97.10160	5.5
98.20747	2.4
99.04456	4.4
103.05495	2.0
105.07034	41.0
107.04958	10.0
107.08620	19.4
109.02866	7.1
109.06505	7.4
109.10130	4.9
111.04445	10.4
111.08087	11.5
117.07016	11.0
117.85841	1.7
119.08585	29.9
121.06476	4.6
121.10170	7.9
123.08099	4.8
127.03902	5.1
128.06227	2.1
129.05466	3.7
129.07007	18.2
131.08549	12.5
133.06499	4.9
133.10126	12.2
135.08078	2.3
135.11620	2.0
142.07747	2.0
143.08549	6.2
145.06552	2.5
145.10150	8.4
147.08093	4.0
147.11705	34.5
149.09631	6.7
153.12617	2.1
157.10168	11.1
161.09526	2.4
161.13277	9.7
163.11183	4.4
165.12689	2.3
171.11696	18.0
175.11197	10.4
181.12257	3.3
185.13258	1.7
189.12708	7.1
193.12251	36.2
195.05222	1.7
207.13785	21.7
211.13292	44.6
227.12640	3.6
249.14880	2.9
267.15924	33.5
281.17474	63.1
285.17001	11.8
287.16269	2.4
355.17426	6.5
357.00989	1.9
397.94864	1.7
411.19958	3.2
425.21213	2.0
429.21280	21.0
456.30618	2.2
459.96771	1.6
473.29022	100.0
491.30081	22.7
495.89169	1.7
635.34241	48.7
653.34845	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	653.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.9
57.07072	1.6
59.03236	1.5
67.05499	2.1
70.56719	1.9
70.57059	5.3
71.85447	1.6
79.05553	1.9
93.26675	1.6
95.08672	2.4
98.21435	1.7
123.24284	1.5
149.79056	1.6
263.29462	1.6
316.84094	1.7
391.19446	3.7
405.20914	6.8
406.21637	7.0
419.22513	3.1
420.23239	4.6
421.23837	8.9
433.20169	2.8
436.19321	2.1
445.20844	2.2
449.20038	2.2
450.20740	2.3
460.22644	3.3
465.22888	29.9
479.24799	5.8
480.25162	3.3
488.21973	4.5
492.21622	2.3
503.24545	38.9
507.27643	2.5
524.40601	2.9
535.27124	33.6
541.65021	1.6
551.26837	3.8
561.24884	2.9
579.26044	31.0
593.27417	2.9
594.28394	12.2
621.27148	17.3
653.29761	100.0
654.30011	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2968
Annotation	Haplophytine
Peak:m/z	Relative Intensity
55.05508	2.3
67.05496	4.6
68.75400	1.3
69.07075	1.9
69.73766	5.2
69.76528	1.1
79.05494	5.2
81.07059	4.7
83.08601	1.6
91.05486	4.5
93.07057	5.1
95.08615	3.6
98.20776	2.3
105.07014	3.6
107.08617	1.6
109.10128	1.9
113.00011	1.3
119.08585	1.8
121.10123	1.7
133.10167	1.6
135.11697	1.2
145.10165	1.1
147.11710	2.7
152.92647	1.1
389.17691	1.9
390.18829	1.3
391.19275	1.5
403.19153	2.7
404.19855	2.5
405.20636	11.6
417.20850	1.7
418.21689	2.1
419.22260	10.0
420.23077	4.1
431.22574	1.5
432.23123	1.5
433.23914	4.8
434.24759	3.6
435.18314	2.1
447.21295	2.1
447.26306	2.0
449.19586	6.4
450.20407	1.7
459.21432	2.1
463.21509	6.3
464.22287	3.9
465.22974	2.1
475.21405	3.9
477.22833	3.9
478.23831	3.7
479.24539	32.4
481.58093	1.4
487.21152	3.9
491.24423	3.1
492.25540	2.1
501.22952	3.0
502.23920	2.9
505.22980	1.6
507.27515	19.6
519.24146	3.6
524.39954	5.7
533.25708	5.6
537.25006	10.2
541.39099	8.8
551.26581	33.3
561.25079	5.8
565.28180	17.3
566.28918	67.2
567.29395	2.2
575.26593	2.1
593.27881	11.1
621.27106	14.9
635.28619	4.3
643.11749	1.3
653.29681	100.0
654.30029	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	651.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.1
55.01864	5.0
55.05516	21.0
57.03442	12.3
57.07068	5.9
59.05000	4.0
65.03936	4.6
67.05510	100.0
69.03437	27.1
69.07072	15.8
69.64700	13.3
71.04988	6.0
71.08636	3.4
78.18704	2.0
79.05495	31.1
81.03423	34.6
81.06590	3.2
81.07060	60.0
83.04966	12.1
83.08620	14.8
84.57555	1.7
85.02904	5.7
85.06535	4.2
91.05484	28.7
93.07044	28.5
95.04984	9.0
95.08618	37.9
97.02890	8.6
97.06531	6.4
97.10155	10.7
99.04454	3.7
99.08054	3.4
103.05451	2.2
105.07028	25.9
107.04996	3.8
107.08597	22.0
109.02866	7.7
109.06468	3.7
109.10165	70.1
111.04443	6.5
111.08070	8.6
115.05482	2.6
117.07033	12.1
119.08591	23.9
121.06476	4.0
121.10144	18.5
123.08096	3.5
123.11703	3.6
125.09621	7.8
127.03933	4.5
128.06244	4.1
129.05467	6.1
129.07001	9.1
131.08575	19.8
133.06516	4.9
133.10138	14.6
133.35152	1.9
135.08057	5.5
135.11708	9.6
137.09624	6.4
141.07047	2.2
143.08554	7.9
144.06622	1.9
145.10138	12.1
147.08096	2.7
147.11703	10.3
149.09599	5.5
149.13264	7.7
153.09042	2.6
155.08549	5.8
155.10641	3.0
157.10104	7.5
159.08073	3.7
159.11760	10.3
161.09590	2.5
161.13237	6.5
163.11134	3.3
167.08606	2.7
169.10126	5.5
171.11649	5.7
173.11743	15.7
173.13245	6.7
175.14818	2.0
177.12688	3.0
183.11728	4.5
185.13255	2.1
187.14792	3.6
189.11235	8.3
189.12822	2.6
195.11751	4.0
195.13763	2.1
199.14838	4.0
209.13307	2.5
213.12704	2.4
227.12762	6.9
229.14365	41.3
235.17079	2.2
245.13693	2.9
261.22205	4.7
273.22079	3.3
277.21445	3.6
297.16840	2.6
301.21585	4.0
303.23239	2.6
315.22971	3.6
335.25793	6.2
337.27481	3.9
341.24811	2.9
345.24255	3.5
351.23132	6.1
369.24384	12.4
371.25818	2.5
373.18600	4.7
387.25327	7.4
395.20084	2.4
405.26279	2.3
443.28024	6.9
461.28613	6.0
479.29742	4.9
489.35632	6.1
524.59961	2.0
585.38849	2.4
597.37659	8.2
615.39203	9.3
633.40027	31.2
651.42242	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	651.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87018	1.5
53.03934	5.0
55.01865	2.7
55.05517	25.4
57.03443	11.5
57.07061	6.2
59.05009	3.3
59.70374	1.4
65.03930	2.3
65.36914	1.5
67.05511	100.0
68.03773	1.5
69.03082	2.3
69.03436	30.9
69.07073	16.8
71.04978	5.9
71.54139	2.7
73.02901	1.5
73.76301	1.3
77.59499	1.6
79.05497	30.4
81.03425	40.5
81.06593	3.4
81.07061	58.4
83.04989	18.9
83.08625	13.8
85.02901	5.9
85.06527	4.3
91.05493	35.7
93.06492	2.2
93.07050	35.7
93.22225	1.3
95.04946	6.9
95.08614	36.7
97.02912	11.1
97.06507	4.4
97.10171	11.4
99.04449	4.0
99.08044	2.5
103.03992	1.5
103.05408	1.8
105.07045	26.7
107.04942	4.2
107.08602	23.9
109.02872	6.5
109.06547	3.7
109.10163	64.1
110.10542	1.4
111.04442	4.7
111.08085	6.1
115.05406	2.0
117.07024	13.9
119.04913	1.6
119.08575	23.3
121.06469	4.0
121.10148	18.0
123.04433	2.3
123.08049	4.0
123.11698	5.3
125.09624	8.6
127.03969	6.9
127.04734	1.6
128.06274	2.3
129.05443	5.1
129.06978	11.8
131.08575	17.3
133.06471	2.2
133.10167	11.5
135.08058	5.0
135.11688	9.3
137.09521	3.5
137.13226	3.1
142.07768	2.3
143.08545	8.9
145.06499	2.6
145.10123	14.0
147.04590	1.8
147.08047	4.5
147.11690	10.0
149.09647	2.6
149.13277	4.4
151.11205	2.4
155.08539	4.4
155.10672	4.1
157.06491	1.5
157.10170	7.4
159.08037	1.9
159.11722	9.4
161.09647	1.7
161.13243	5.0
163.11125	3.0
163.14799	2.2
165.12685	1.7
169.10085	4.5
171.11682	9.0
173.09607	1.6
173.11720	15.0
173.13263	7.7
175.11200	3.2
175.14821	2.4
177.12689	1.8
183.11760	3.4
185.09621	4.3
185.13275	4.9
187.11160	2.6
187.14793	1.8
189.11256	7.9
195.11668	2.3
197.13329	2.7
199.11278	2.2
199.14865	4.1
201.16280	1.8
209.13322	1.9
211.14880	2.7
221.13374	1.6
223.14775	2.1
227.12714	8.6
229.14365	37.6
245.13786	3.0
259.20557	2.9
261.22089	6.3
273.22125	1.4
277.21841	2.1
283.20508	1.6
289.21567	2.0
291.23190	1.8
297.21667	1.8
298.70081	1.8
299.14893	2.5
301.21613	5.5
303.22977	2.3
319.22675	2.8
327.23090	3.0
335.25891	13.2
337.27396	7.6
339.18094	1.7
341.24619	2.3
345.24115	1.8
351.23166	6.4
357.23904	2.2
369.24332	13.2
371.16870	4.9
373.18777	7.3
375.25348	1.6
376.35788	1.7
387.25186	6.7
398.29248	1.5
405.26279	4.4
425.26770	1.8
443.27890	5.3
461.29398	7.5
479.30170	8.2
489.35934	9.0
507.36697	2.4
529.35107	1.9
547.35962	1.8
597.37524	6.7
615.38800	9.8
633.39941	42.8
651.41620	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	651.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16389	1.6
53.03937	6.8
55.01867	4.9
55.05279	1.9
55.05517	28.5
57.03447	10.9
57.07074	2.1
59.05005	3.2
65.03947	3.9
66.93636	1.6
67.05511	100.0
69.03442	21.7
69.07072	19.6
71.04993	7.0
79.05067	2.6
79.05498	33.2
81.03425	44.3
81.06592	3.2
81.07063	61.3
83.04985	23.0
83.08632	12.4
85.02919	2.6
85.06554	3.5
91.05487	30.9
93.07050	35.4
95.04987	8.3
95.08621	33.7
97.02908	15.0
97.06552	2.9
97.10181	14.6
99.04451	6.0
105.07030	23.3
107.04948	4.2
107.08606	21.5
109.02896	6.7
109.06525	4.5
109.10164	57.2
111.04446	9.4
111.08073	4.0
114.05618	1.6
117.07018	10.4
119.08591	21.2
121.06506	3.2
121.10168	20.7
123.11723	6.0
125.09630	11.3
127.03921	9.1
128.06271	2.2
129.05478	11.5
129.06999	7.0
130.07780	2.6
131.08585	15.8
133.06586	2.1
133.10139	15.3
135.08052	4.0
135.11699	10.0
137.09616	3.0
137.13266	3.1
139.11169	2.2
141.07060	2.2
142.07767	3.0
143.08565	7.2
145.06473	3.1
145.10130	12.0
147.08054	4.6
147.11696	6.6
149.09581	1.9
149.13280	6.1
151.11128	1.8
153.09203	2.5
154.07852	1.7
155.08572	2.6
157.06429	2.7
157.10146	6.0
159.08084	4.5
159.11720	9.6
161.09599	2.1
161.13257	5.6
163.14809	2.6
169.10159	3.8
171.08057	2.8
171.11726	4.6
173.09575	2.0
173.11766	14.4
173.13286	5.7
175.11212	2.3
181.10146	1.9
183.11771	3.9
185.13228	5.5
187.14862	2.0
188.15312	1.9
189.09645	1.4
189.11203	9.7
189.12704	2.3
197.13295	2.7
199.11261	3.0
199.14755	1.9
204.74251	1.5
207.93858	1.8
223.14874	2.1
225.12787	1.7
227.12711	10.3
227.14665	1.8
229.01323	1.7
229.14330	25.9
245.13867	2.6
259.20642	3.6
261.22208	6.6
263.23785	2.6
273.22098	2.0
277.21664	2.2
283.20435	1.6
291.22934	2.8
301.21579	5.0
303.23196	3.3
315.23508	1.9
317.24734	1.8
319.22803	2.6
335.25854	17.6
337.27359	9.8
345.24130	2.2
351.23279	5.8
369.24219	7.9
371.17169	4.6
371.25766	2.1
373.18503	7.5
387.25305	6.1
405.26266	2.8
443.28088	4.0
461.28833	5.9
479.30121	4.8
487.34171	2.1
489.36301	9.0
507.36688	4.0
588.51697	2.1
597.37762	7.6
615.38483	10.6
633.40057	30.3
651.41400	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	651.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.0
55.01868	4.7
55.05518	25.4
57.03445	12.7
57.07086	4.2
58.41315	2.3
59.05013	2.8
61.77136	2.0
61.79415	2.7
65.03940	4.2
67.05507	100.0
69.03442	19.8
69.07063	15.6
71.04990	8.1
71.53217	3.3
73.02926	2.6
79.05499	31.8
81.03416	41.5
81.07054	55.7
83.04992	15.2
83.08627	17.2
85.02905	4.5
85.06539	4.2
90.75595	2.4
91.05485	31.8
93.07043	35.6
95.04958	7.4
95.08615	34.1
95.09193	3.8
97.02919	13.3
97.06512	4.5
97.10162	8.6
99.04450	5.0
105.07024	23.4
107.04954	3.3
107.08596	22.8
109.02905	8.3
109.10164	66.6
111.04442	8.1
111.08080	4.3
117.07012	9.8
119.08595	22.0
120.09068	2.6
121.06496	4.0
121.10157	18.1
123.08053	4.6
123.11735	6.5
125.09638	7.7
127.03926	7.0
129.05490	7.4
129.07010	8.2
131.08546	12.8
133.06528	3.8
133.10115	14.4
135.08046	7.9
135.11710	9.5
137.09637	7.2
139.11153	3.7
143.08551	9.8
145.06488	4.5
145.10162	16.0
147.08095	2.9
147.11694	9.8
149.09634	3.4
149.13217	6.3
155.08595	4.1
155.10629	3.5
157.10162	6.9
159.11655	15.0
161.13272	5.2
169.10187	6.7
171.11732	3.5
173.11736	15.9
173.13313	6.5
175.11194	3.0
181.10098	4.2
182.10994	2.5
185.09636	3.1
185.13293	7.4
187.14847	3.3
189.11220	8.3
195.11734	3.7
199.11327	2.6
213.12770	3.0
227.12697	15.6
229.14323	42.5
245.13953	5.5
259.20425	3.4
261.22079	6.3
299.14713	3.4
301.21600	4.7
335.25763	7.8
337.27484	10.2
351.22983	5.9
369.24182	11.0
373.18533	6.5
387.25223	5.9
405.26611	4.8
461.28622	3.2
479.29779	5.3
487.34024	3.6
489.35471	9.5
507.36984	3.2
535.35895	2.7
597.37921	10.4
615.38214	12.4
633.39819	27.6
651.39136	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	649.3024
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
51.73433	0.6
55.05519	1.2
57.07095	0.7
67.05499	1.6
67.41399	0.5
69.07073	1.0
69.17472	2.3
69.17902	2.6
71.08630	0.6
79.05511	1.0
81.07063	1.5
83.08627	1.0
84.70119	0.5
91.05472	0.6
93.07037	1.5
95.08620	1.9
97.10165	0.5
105.07030	0.7
107.08611	1.0
119.08595	0.7
121.10188	1.1
121.65882	0.5
173.19751	0.6
186.95583	0.6
261.41891	0.5
402.18567	0.8
403.19098	1.7
416.20197	1.3
417.21152	2.8
418.21854	1.2
419.22519	1.2
430.22116	0.6
431.17957	4.2
431.23770	0.7
432.19312	1.3
433.24304	2.5
443.18591	1.1
444.19626	1.8
445.19980	5.5
446.21185	1.7
447.21960	1.3
458.17169	1.0
459.22372	5.6
460.22510	4.0
461.23611	3.6
473.19247	6.1
475.24799	1.3
487.20505	3.2
489.22830	1.3
501.23053	1.1
502.23682	2.6
503.24573	5.3
505.22281	1.1
515.24744	1.3
519.24133	0.9
533.21790	1.0
537.37823	1.0
546.26373	1.4
547.27161	10.7
551.36993	0.8
559.23523	0.8
561.24860	3.0
575.26813	0.9
589.28094	20.7
591.26526	0.8
607.29010	2.6
649.30225	100.0
650.30603	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3943
Annotation	Rubuside H
Peak:m/z	Relative Intensity
53.03949	2.2
55.01867	2.5
55.05517	9.7
57.03434	5.1
60.80593	1.2
61.02927	3.5
65.03944	2.0
67.05504	28.9
69.03432	6.5
69.07066	5.2
69.42444	2.5
69.42848	7.8
70.98061	1.3
71.05000	1.8
79.05495	14.6
81.03420	10.2
81.07049	15.6
83.04987	2.7
83.08615	3.9
85.02911	6.3
91.05477	15.3
93.07043	10.5
95.04972	3.8
95.08610	11.0
97.02901	5.5
97.10174	5.7
98.21530	2.8
105.07030	13.9
107.04958	1.6
107.08584	8.2
109.02910	2.0
109.06506	2.1
109.10156	19.2
111.04438	2.2
111.08122	1.3
117.07019	6.9
119.08591	12.3
121.10148	6.6
123.08067	2.2
125.09660	3.6
127.03907	3.2
129.05463	1.7
129.07030	5.1
131.08592	10.4
133.10092	7.2
135.08080	2.1
135.11684	3.4
141.07014	2.9
143.08592	4.7
145.10114	8.2
147.11685	7.1
149.09618	2.5
155.08572	5.4
155.10612	1.5
157.10107	7.2
159.08096	1.5
159.11786	7.1
161.13289	2.1
167.08563	1.5
169.10143	3.5
171.10217	1.3
171.11754	4.6
173.11765	4.0
173.13281	3.7
175.11223	2.3
175.14740	2.0
181.10141	2.4
183.11731	5.1
185.13295	4.2
189.11261	4.1
189.12810	1.5
197.13225	1.8
199.11450	1.6
199.14851	2.0
207.11769	1.6
209.13344	2.1
211.14941	1.8
223.14760	1.5
227.12915	3.9
229.06395	1.5
229.14406	5.9
245.13802	1.6
259.20541	3.6
283.15033	6.7
333.20486	1.9
333.24261	2.5
335.25879	1.6
339.17947	2.0
351.23550	2.0
367.22586	2.7
369.24338	2.9
373.18683	3.2
385.24051	1.9
389.23328	1.7
393.48334	1.6
395.29404	2.1
485.32550	1.8
487.34189	28.3
511.67340	1.3
571.36133	2.0
583.35632	2.5
595.36310	4.8
613.37354	9.2
631.38647	11.4
637.22925	1.6
649.39264	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.9
53.03947	0.3
55.01873	0.4
55.05500	1.1
57.07117	0.3
65.03927	1.2
65.57681	0.3
67.05515	1.5
68.99784	0.8
69.03442	0.4
69.07061	1.9
69.43112	2.7
69.49659	0.3
70.50511	0.3
76.92046	0.4
79.05485	1.0
81.03418	0.6
81.07058	3.3
83.04975	0.3
83.08609	0.8
91.05486	1.1
93.03420	0.4
93.07049	1.8
95.04945	0.5
95.08612	3.2
97.10155	0.7
105.07023	1.1
107.04935	0.4
107.08602	2.2
109.10157	1.9
111.00803	1.2
111.04444	1.5
111.08050	0.3
111.11743	0.5
116.68210	0.3
117.07024	0.4
119.08570	1.4
121.02884	0.9
121.10150	1.5
123.04449	2.7
123.11700	2.9
125.09649	0.5
127.03921	0.5
129.07031	0.4
131.08559	0.3
133.10112	0.8
135.04401	0.6
135.11687	0.8
137.13187	0.5
139.03909	100.0
139.11124	0.6
140.04309	0.7
145.02887	0.3
147.04416	0.5
147.11707	0.8
149.13269	2.3
151.03899	5.8
151.11205	0.4
157.12291	0.4
159.11737	0.8
161.06013	0.4
161.13199	0.5
163.03929	6.2
163.14836	0.6
165.12756	0.5
169.04982	0.4
177.05496	0.8
179.07031	0.7
203.12865	0.5
205.04970	2.6
211.40434	0.3
253.37134	0.3
259.24219	0.6
287.23730	0.6
289.07083	13.9
292.23203	0.3
293.24750	1.4
301.07117	0.4
305.24841	4.7
307.08234	0.6
323.25806	2.0
455.28748	0.3
539.54242	0.3
570.56427	0.3
593.30573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33358	0.5
53.03949	1.2
54.61137	0.5
55.01871	1.2
55.05526	6.2
57.03204	0.6
57.03449	6.9
57.07074	0.7
61.02918	1.6
67.05513	25.9
69.03425	1.3
69.07082	7.6
71.01347	1.6
71.05016	2.8
73.02885	0.8
79.05501	19.1
81.03423	2.9
81.07066	26.8
83.04987	4.0
83.08633	4.8
85.02899	1.9
85.06534	2.1
91.03928	0.9
91.05490	8.3
93.07053	29.1
95.04974	2.6
95.08620	6.2
97.02909	1.3
97.06551	7.2
97.10185	4.2
99.04436	0.7
99.08105	1.3
105.04479	1.0
105.07050	3.6
107.04926	1.0
107.07874	1.1
107.08601	21.4
109.06519	0.9
109.10191	2.6
111.08076	2.6
113.09621	0.7
117.06993	3.3
119.08607	2.5
121.06545	0.7
121.10160	8.2
125.09619	1.2
131.08548	2.2
133.10120	3.4
135.08055	0.9
135.11702	19.1
135.12723	1.1
137.09634	0.8
145.10153	3.5
149.13275	9.4
159.11716	4.6
163.11182	2.1
177.12787	1.7
181.12241	4.0
195.13866	3.6
199.13248	0.9
230.59436	0.6
235.87538	0.6
237.15245	0.6
247.06866	0.6
255.15947	27.7
269.17502	22.9
294.80087	0.6
449.29037	100.0
450.29855	1.3
493.02124	0.6
578.39874	0.6
648.60327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	20.5
65.03946	1.6
69.84174	1.4
70.25806	2.8
70.26205	3.3
70.62917	1.5
83.28933	1.3
84.96053	7.5
85.02917	4.4
91.05481	6.2
97.02911	1.7
97.67848	1.4
98.97595	100.0
110.97580	12.4
112.99173	2.0
116.98637	37.6
119.04961	9.8
120.20704	1.5
123.04483	1.9
127.03943	3.2
128.98628	10.9
131.00217	4.0
131.74904	1.7
134.99701	8.1
139.03922	12.0
140.04330	1.8
143.00204	4.3
146.99640	5.8
147.03322	4.4
147.04416	35.1
148.04779	4.4
149.01236	2.1
151.03967	1.5
152.98607	2.6
153.02139	1.3
155.01981	1.9
158.99677	47.6
161.01236	4.9
162.99109	2.3
163.03949	9.8
165.04369	2.4
170.99770	8.2
171.03317	4.9
177.00742	35.4
189.00717	5.2
189.04330	11.6
195.01820	1.9
201.00783	7.1
205.00226	2.6
207.05415	3.7
211.02856	1.6
219.01750	25.0
221.01215	2.7
237.00613	1.9
237.02843	31.6
239.02342	5.7
243.01793	2.1
253.00301	2.4
253.03819	1.9
257.04288	2.5
261.02872	3.9
287.05536	2.9
291.07535	25.1
295.04886	2.0
304.40967	1.7
309.08597	53.9
323.06543	2.7
351.09637	1.9
365.07608	19.0
367.08823	2.3
391.09067	4.6
403.09418	7.9
421.10107	5.8
437.11206	7.0
455.12323	37.8
458.36990	1.8
465.09375	17.4
483.10455	8.2
537.13068	10.8
629.14404	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	647.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.5
51.02384	0.6
53.03963	0.6
55.01885	0.7
55.05515	2.5
57.07068	0.9
60.84875	0.5
61.02919	0.8
65.03946	0.7
67.05510	2.4
67.85655	0.4
68.99781	1.2
69.03432	0.6
69.07063	1.9
69.45892	1.5
69.46291	1.5
77.03943	0.8
79.05502	1.0
81.03418	0.6
81.07066	3.8
85.02895	0.8
91.03949	0.5
91.05451	0.9
93.03400	0.4
93.07055	1.8
95.04968	2.1
95.08613	3.3
97.02953	0.5
97.10165	4.7
98.20760	0.9
99.08090	0.5
105.03391	1.4
105.07053	1.5
107.08601	1.3
109.06507	0.7
109.10146	2.2
111.04441	3.0
119.08582	1.4
121.10179	1.3
123.04436	100.0
123.11703	2.8
124.04776	0.8
125.05933	0.5
125.09637	1.2
133.10176	0.7
135.04460	1.0
135.11705	1.1
137.09648	0.6
139.03909	87.1
139.11136	0.7
140.04192	0.5
143.10687	1.8
145.10138	0.8
147.04398	4.2
147.11671	1.1
149.13272	1.1
151.03900	6.9
157.12274	0.6
161.13356	0.6
163.03938	1.2
163.07549	0.7
165.05482	0.5
173.13258	0.5
175.11140	0.6
175.14804	0.6
189.05486	0.9
189.11229	1.3
247.38028	0.5
255.06555	0.6
273.07584	19.6
285.07687	3.0
285.22031	0.6
291.08685	1.3
291.23242	0.6
293.24683	0.6
303.23129	3.1
309.24176	2.0
321.24286	6.0
339.25259	1.8
455.27881	0.5
459.27377	0.7
473.29047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01869	2.5
55.05505	1.8
57.03427	2.1
61.02929	1.8
62.87560	0.7
65.03939	1.4
65.90437	0.8
67.05520	4.6
69.03088	0.8
69.03439	10.8
69.07081	4.7
69.42861	4.8
70.06579	2.4
71.05000	1.0
77.03952	1.2
79.05504	6.0
81.03407	3.4
81.07066	8.5
83.04977	0.9
83.08625	1.3
85.02916	12.5
86.09715	3.9
87.04469	0.9
91.05488	9.8
93.07061	8.2
95.04958	4.3
95.08064	1.0
95.08616	11.9
97.02901	5.6
97.06532	0.8
97.10205	1.2
99.04449	0.9
104.71629	0.7
105.03387	0.8
105.07037	9.0
107.04962	2.6
107.08607	11.3
109.02899	3.1
109.06512	2.6
109.10162	6.7
111.04459	1.4
115.05469	0.7
117.07034	1.4
119.04953	8.2
119.08587	16.7
121.06516	7.0
121.10151	9.7
123.04445	59.5
123.08112	1.5
123.11722	5.2
125.05997	0.9
127.03944	3.1
131.08572	1.8
133.10147	28.2
135.04433	2.6
135.08102	1.4
135.11702	11.0
137.06006	3.6
137.09593	2.0
137.13268	2.7
139.03905	8.2
139.07597	0.8
139.11183	2.7
141.05460	1.7
143.04945	2.2
145.04919	1.3
145.06561	1.0
145.10112	2.1
147.04430	32.9
147.08061	1.1
147.11691	3.6
149.05991	5.2
149.09607	0.7
149.13258	6.9
151.03915	10.2
151.07565	1.3
153.05492	6.5
157.10127	1.0
159.04416	1.0
159.09160	1.1
159.11752	0.7
161.05995	7.5
161.09654	1.0
163.03903	4.1
163.07573	3.2
165.05495	100.0
167.07051	3.0
169.05032	1.0
172.00325	0.7
173.05975	1.4
173.13295	3.4
173.27975	0.7
175.07567	3.3
175.14844	47.5
177.05507	12.8
177.09090	0.9
179.07048	8.8
181.05025	1.2
187.07558	0.7
189.05493	11.5
191.07050	18.6
193.05020	1.4
193.08620	18.8
193.10307	1.1
193.15880	7.7
195.06543	3.6
201.05492	0.9
203.07065	3.2
205.08644	2.9
207.06564	10.1
207.09943	0.7
215.06995	1.6
217.08604	1.6
217.15965	1.0
219.06686	1.2
219.10182	2.8
221.08051	0.8
229.08693	1.1
231.06592	3.1
233.11743	1.8
243.10236	1.3
245.11728	1.1
249.07698	1.4
257.11819	2.7
271.13327	1.2
273.07565	1.6
285.07510	1.4
291.08633	1.9
295.17072	1.9
299.09079	3.8
303.08569	8.8
309.09784	2.2
313.18008	23.5
317.10223	67.6
318.10461	1.0
325.10818	1.0
325.18005	0.9
329.10272	2.4
331.19064	26.3
341.10254	4.5
343.11816	10.8
355.18933	1.0
371.15012	0.9
373.20215	1.9
385.16092	0.9
397.20062	1.0
427.21228	1.2
447.22458	1.6
457.22162	1.6
459.27246	1.1
461.14349	1.1
465.22754	17.6
475.23492	6.1
483.23776	19.9
493.24448	3.6
600.34509	0.7
645.28296	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26357	0.4
53.03936	0.8
55.01875	0.7
55.05513	4.4
57.03437	3.8
61.02932	4.4
67.05508	5.7
69.03417	1.3
69.07057	2.0
70.06589	0.5
71.05000	1.0
71.52982	0.8
73.02914	2.1
79.05492	5.2
81.03421	19.7
81.07059	6.3
83.04979	4.7
83.08620	8.3
85.02906	12.4
91.03960	4.1
91.05489	7.4
93.07049	3.8
95.04974	7.8
95.08625	2.6
95.28767	0.5
97.02888	3.7
97.06536	1.1
97.10174	0.8
105.07040	5.2
107.04955	1.7
107.08592	2.2
109.06510	1.4
109.10137	0.7
111.04437	1.0
111.08067	3.5
113.05972	1.0
119.08597	4.9
121.06483	0.6
121.10174	2.6
123.08037	0.7
123.11642	0.7
125.09611	0.7
126.02375	0.4
127.03913	1.7
129.07002	3.5
131.08585	3.5
133.06532	1.0
133.10155	3.9
137.09618	0.7
142.07782	0.6
145.04993	2.0
145.10188	0.6
147.08075	1.1
147.11700	5.3
149.09637	2.2
157.10146	4.5
163.05960	2.8
165.12778	1.0
175.11214	6.0
193.12251	21.0
210.31720	0.5
211.13298	16.7
211.15302	0.9
213.45065	0.4
267.15952	7.3
274.73947	0.4
285.16977	100.0
286.17294	0.9
358.26318	0.4
429.21194	1.7
447.22354	3.5
650.95587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.01880	6.3
55.05263	2.1
55.05513	23.3
57.03440	10.1
57.07061	3.6
65.03932	4.0
67.05509	57.9
69.03442	1.4
69.07072	24.8
71.04989	3.5
71.08627	2.6
71.52641	2.4
79.05495	54.5
81.03409	3.5
81.07059	100.0
83.04970	6.9
83.08617	14.1
85.02908	1.4
85.06549	3.9
91.05485	60.1
93.07048	56.9
95.04975	8.5
95.08610	41.1
97.06535	8.7
97.10158	4.5
99.08080	6.0
101.06025	1.2
103.05486	1.2
105.04474	1.4
105.07033	64.9
107.04948	6.6
107.08597	27.6
109.06530	16.2
109.10143	17.1
111.08087	4.3
115.05477	1.5
117.07016	17.5
119.08589	52.2
121.06492	4.4
121.10144	25.9
123.08089	7.0
123.11692	8.8
125.09609	2.6
128.06183	2.0
129.07002	10.4
131.08572	27.1
133.06488	1.5
133.10133	37.3
135.08032	4.5
135.11678	14.8
137.09599	4.3
141.07019	1.4
142.07739	1.4
143.08540	9.2
145.06509	1.5
145.10133	21.3
147.08051	3.8
147.11688	42.1
149.09615	8.0
149.13263	11.3
151.07463	1.3
151.11189	3.6
155.08553	2.4
157.10121	11.4
159.11708	18.5
161.09650	3.4
161.13275	22.6
163.11163	5.8
163.14828	4.5
165.12773	6.9
169.10158	2.8
171.11703	12.6
173.13261	11.9
175.11183	4.4
175.14824	11.2
177.12784	3.4
179.14330	3.1
183.11748	3.8
185.13248	8.0
187.11218	2.3
187.14839	5.5
189.12712	1.7
191.14383	1.7
193.12228	3.9
197.13213	1.4
199.14862	4.0
213.16406	1.6
215.17899	1.5
217.15823	1.5
225.16357	1.7
229.19543	2.1
231.17566	2.2
231.21059	4.0
236.20644	1.5
239.17995	3.1
241.19504	21.2
247.20613	2.0
249.45923	1.4
257.19037	8.2
259.20578	45.2
267.15784	1.6
273.18497	5.0
275.20062	40.2
277.21658	4.8
291.19510	3.7
293.21149	12.0
315.23151	5.1
333.24225	47.2
335.25778	4.3
349.23581	7.6
351.25296	6.0
365.23083	2.5
367.24802	28.6
515.38287	3.7
533.39545	3.6
545.38409	12.8
551.40582	2.6
583.28314	2.9
594.46838	2.0
607.43079	6.7
615.84430	1.6
625.44714	17.9
641.51434	1.3
643.29895	2.8
643.45703	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	643.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01878	6.8
55.05515	12.9
56.05291	0.9
57.03187	1.5
57.03440	15.8
57.07068	1.9
65.03938	5.0
67.03919	0.9
67.05508	58.9
69.03420	2.0
69.07073	12.7
70.69308	3.1
71.04968	2.2
77.03922	1.3
79.05498	41.5
81.03410	4.1
81.07064	51.5
83.04974	4.6
83.08613	6.4
85.02871	1.2
85.06548	10.8
91.04915	1.2
91.05487	32.0
93.07049	36.0
95.04374	2.1
95.04977	39.3
95.08613	27.7
97.06519	4.5
97.10164	2.5
97.23438	1.0
99.08092	1.8
105.04478	1.3
105.07041	20.9
107.04974	8.3
107.08609	19.2
109.06523	54.1
109.10167	10.7
111.04446	2.4
111.08066	2.8
113.06008	23.1
115.05450	1.9
117.07026	14.0
119.06029	1.2
119.07813	1.3
119.08592	15.5
121.06504	6.1
121.10142	12.3
123.08062	3.8
123.11693	1.8
125.09657	1.1
126.97361	0.9
128.06252	2.0
129.07025	6.1
130.07767	2.5
131.08582	18.3
133.06494	2.6
133.10158	10.8
135.08064	37.1
135.11690	8.4
137.05974	1.5
137.09628	1.2
142.07782	1.9
143.08559	8.0
145.10150	13.5
147.08052	8.2
147.11687	4.4
149.09641	5.4
149.13246	3.1
155.08546	1.3
157.10123	6.6
159.08031	1.5
159.11717	7.0
161.09636	8.7
161.13214	1.7
163.11171	4.9
169.10155	2.3
171.11703	3.2
173.13268	3.6
175.11256	1.4
175.14873	1.1
177.12772	1.5
179.14313	1.7
183.11691	2.7
185.13297	3.1
187.14862	1.4
191.10706	1.2
195.13852	1.3
199.11220	1.5
199.14822	2.8
201.12801	1.3
217.15865	11.4
219.13828	1.4
223.13342	1.8
233.15344	2.7
237.16335	1.6
245.18991	2.8
255.17441	3.6
261.22208	2.2
273.18521	31.4
275.20117	2.2
291.19556	100.0
309.20538	1.7
335.25821	38.3
347.22192	5.5
365.23251	10.1
416.34238	1.1
545.38306	2.8
607.43585	6.2
625.44635	33.5
643.25256	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01875	1.3
55.05518	7.7
57.03431	0.5
57.07074	2.0
65.03937	2.3
67.05508	16.8
69.03439	2.6
69.07074	8.1
71.04997	1.6
79.05499	12.9
80.25481	0.6
81.03409	0.8
81.07060	26.1
83.04984	3.5
83.08627	3.6
85.06551	0.9
91.05486	17.4
93.07051	23.2
95.04977	28.4
95.08614	31.5
97.06540	3.9
97.10179	1.9
99.04486	1.7
103.05511	2.0
105.04548	1.3
105.07037	36.8
107.04932	0.9
107.08601	29.2
109.06528	16.0
109.10163	16.1
111.08077	3.0
113.05989	3.0
115.05486	1.8
116.06226	0.9
117.07022	8.2
119.06134	0.9
119.08585	33.1
121.06514	14.7
121.07386	1.0
121.10149	18.3
123.08087	10.3
123.11716	6.7
125.09621	1.2
127.86003	0.6
128.06238	3.5
129.06996	6.8
130.07823	1.9
131.08585	18.0
133.06482	5.1
133.10136	19.6
135.08058	16.6
135.11697	8.7
137.09624	3.7
137.13292	2.8
141.07022	2.7
142.07790	4.3
143.08566	15.1
144.09392	1.7
145.06509	4.3
145.10135	20.6
146.07274	0.9
147.08069	15.1
147.11691	14.9
149.09630	10.2
149.13229	5.4
151.07561	1.8
151.11168	0.7
154.07835	1.3
155.07315	1.0
155.08577	5.8
156.09354	3.3
157.10139	16.6
158.07280	1.0
158.10928	2.0
159.08069	16.3
159.11702	19.3
160.08897	0.6
161.09637	17.1
161.13263	9.5
163.11223	4.6
163.14864	2.6
165.07066	0.8
165.09151	1.7
165.12817	0.9
166.07835	1.0
167.08583	2.5
168.09398	2.1
169.10135	8.3
170.10951	2.1
171.08098	3.7
171.11719	12.7
172.08823	1.0
172.12390	0.8
173.09630	8.0
173.13272	12.6
175.11205	12.6
175.14803	4.9
177.09169	0.9
177.12735	1.4
177.16388	1.8
179.08611	0.9
181.10112	3.3
182.10930	1.7
183.08060	1.3
183.11685	8.6
184.08884	0.9
185.09671	5.5
185.13246	9.4
187.11192	9.3
187.14771	5.1
189.12711	4.9
189.16422	1.9
191.10735	1.5
191.14314	0.8
193.10211	2.6
195.11694	5.2
196.12505	1.1
197.09660	2.7
197.13275	8.8
198.10410	0.7
198.13904	0.9
199.11176	8.0
199.14841	8.4
200.12050	0.8
201.12756	15.8
201.16476	3.5
202.13644	0.6
203.10654	0.7
203.14363	7.2
203.17958	1.3
205.02527	0.7
205.12312	1.0
207.11807	1.9
208.12587	0.9
209.13293	4.2
211.11261	2.1
211.14845	5.2
213.12762	10.5
213.16338	4.1
215.14326	8.0
215.17996	2.8
217.12277	0.9
217.15887	2.1
219.13800	0.8
221.13283	2.1
223.14874	2.8
224.15645	0.7
225.12845	1.9
225.16304	3.7
226.13472	0.8
227.14362	4.4
227.18004	2.9
229.15887	4.9
229.19536	2.1
231.13857	0.8
231.17273	0.8
233.13272	0.7
235.14874	1.4
237.16420	2.1
239.14352	2.2
239.18004	2.9
241.15988	2.4
241.19531	1.7
243.13853	0.8
243.17485	2.4
245.15428	1.3
245.19176	0.9
249.16408	0.7
251.18057	1.8
253.15863	1.9
253.19643	2.2
255.17407	4.5
255.21144	1.0
257.18994	3.9
263.17926	1.4
265.19702	1.5
267.17535	1.8
267.21213	1.5
269.19058	2.3
269.22797	0.7
271.20700	1.5
281.19098	3.0
281.22507	1.0
283.17734	0.8
283.20566	3.9
283.23526	0.6
285.22141	1.2
295.20673	1.4
297.22159	1.7
299.20071	1.6
305.22644	0.8
307.20752	1.2
309.22165	3.3
311.23813	1.7
317.21243	1.0
323.23682	1.3
325.25513	0.7
327.23221	1.0
335.23615	1.3
339.26913	0.8
351.26956	1.4
353.24899	2.5
363.27072	3.2
365.28702	0.7
367.26331	0.7
381.28073	2.2
527.38684	4.5
537.41437	0.9
545.38269	2.8
547.38751	1.7
553.40692	2.8
565.40485	7.8
583.41449	27.9
601.42493	5.2
625.42584	8.9
643.43628	100.0
644.43976	2.6
667.15601	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
54.09755	1.4
55.01874	1.7
55.05518	13.8
57.03429	3.4
57.07059	4.4
65.03923	1.4
67.05508	37.0
69.07075	10.8
69.51498	7.5
70.06594	1.7
71.04999	3.3
71.08632	2.6
79.05501	27.2
81.03426	7.6
81.07063	36.6
82.07325	1.3
83.04993	3.9
83.08623	12.2
85.02917	2.5
85.06532	1.8
91.05485	21.5
93.07049	28.1
95.04960	5.9
95.08614	23.3
97.02853	1.4
97.06547	4.3
97.10157	4.6
98.98477	6.2
99.08099	2.8
105.04502	1.5
105.07043	24.6
107.04974	4.9
107.08595	14.4
109.06522	3.8
109.10168	11.6
111.08087	1.9
115.05499	1.7
117.07040	10.4
119.07778	2.4
119.08588	19.8
121.06480	2.5
121.10165	10.5
123.08070	1.8
123.11718	2.7
128.06221	1.9
129.06990	10.8
131.08589	20.8
133.10168	12.0
133.97643	1.5
135.11696	5.3
137.09557	1.5
141.07024	2.2
142.07753	1.8
143.08571	12.2
145.06517	1.5
145.10132	15.4
147.08136	1.5
147.11696	6.4
149.02309	3.1
149.09648	2.2
149.13258	2.6
151.53334	1.4
153.09161	1.6
155.08516	8.3
157.10150	9.4
159.11720	9.6
161.09654	1.3
161.13254	5.8
163.11234	2.1
163.14720	1.8
169.10135	4.9
171.11719	7.7
173.13231	4.0
175.11143	1.7
175.14850	2.6
181.10156	3.8
183.11708	6.0
185.13264	5.3
187.14819	1.5
193.04872	1.7
193.12184	4.3
195.11810	3.1
197.13254	3.7
199.14911	3.4
201.16444	2.6
207.11812	1.5
209.13312	3.0
211.14853	2.4
213.16437	2.3
227.12920	2.2
235.14922	1.7
239.18039	1.8
261.22086	2.6
267.15787	2.3
268.15894	1.5
275.20251	1.6
284.29749	1.7
285.16660	1.8
285.29877	2.0
315.23141	1.9
317.24838	2.2
335.25943	1.7
354.24796	2.2
355.26312	2.6
361.98190	1.5
372.26422	1.7
385.09378	2.2
386.09454	3.5
407.33115	1.8
417.31598	1.9
435.32480	6.0
445.29532	5.6
446.29959	22.0
453.33505	4.0
464.31055	8.3
471.34784	3.0
489.36496	1.9
501.35968	1.8
509.36038	5.6
527.37354	38.4
545.38416	100.0
546.38318	1.7
607.33679	3.7
625.34552	2.8
643.29352	8.7
643.37201	6.6
643.45416	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	643.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01927	0.4
55.05553	0.7
63.13790	0.2
67.05502	2.3
69.07119	0.9
69.09898	0.2
69.15491	2.6
74.95865	0.2
79.05492	2.0
81.03455	0.4
81.07060	2.0
82.45168	0.2
83.05011	0.3
91.05487	1.6
93.07059	1.8
95.05009	0.4
95.08614	1.3
105.07051	1.7
107.08027	0.3
107.08698	0.9
109.10207	0.6
111.08112	0.4
113.36191	0.2
117.07106	0.3
119.08663	1.0
121.10236	0.8
131.08705	0.8
133.10236	0.8
135.11775	0.4
145.10219	0.7
147.11775	0.5
149.13304	0.3
151.11247	0.3
157.10199	0.4
159.11801	0.5
171.11800	0.4
173.13377	0.3
179.14357	0.3
193.12447	0.3
211.13499	0.4
238.88350	0.3
259.20731	0.3
275.20343	0.5
277.21725	0.5
335.25952	0.5
396.12497	0.6
397.12848	1.3
398.13977	0.6
409.13092	0.6
410.13733	1.8
411.14630	3.9
412.15424	2.0
413.16116	0.8
423.10147	0.3
423.14847	0.8
424.11349	0.9
424.15552	1.6
425.16251	6.6
426.16989	4.5
427.17752	0.9
428.18719	0.4
437.17099	0.4
438.12198	1.6
438.18005	0.6
439.13275	5.0
440.13763	0.4
440.19223	2.4
441.19308	21.0
442.19574	0.7
451.13718	0.4
452.14301	2.2
453.15311	7.6
454.15939	1.7
457.15247	0.3
463.13858	0.5
465.15634	0.7
466.12128	0.3
466.17361	0.3
467.17218	17.6
468.17950	7.9
469.18863	10.4
470.18927	0.5
477.22284	0.3
479.17209	0.3
480.17615	0.5
481.14932	11.7
482.15564	2.6
485.18475	0.5
487.20160	0.3
494.17798	0.4
495.17047	2.0
496.17294	9.4
497.18057	1.5
498.19113	0.4
499.19864	0.3
508.19647	0.6
509.18289	1.5
512.20551	0.8
514.22827	0.4
522.18231	0.6
523.19824	1.1
524.21136	0.4
527.23431	1.7
537.19336	0.3
540.19891	0.5
542.21594	1.0
545.38239	2.3
551.26093	0.6
555.22479	14.4
556.23126	0.7
568.19867	0.4
583.21936	100.0
584.22296	3.7
587.25073	0.5
593.26782	0.9
611.21399	0.8
615.15045	0.5
615.24591	6.5
616.24982	0.3
625.29303	2.7
625.44922	0.5
643.23853	22.5
644.23920	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1504
Annotation	myricetin 3-O-gentiobioside
Peak:m/z	Relative Intensity
53.03932	0.2
55.01859	0.5
57.03445	1.4
61.02930	4.8
63.00391	0.2
68.99784	0.8
69.03434	4.4
69.87708	0.8
70.06579	0.2
71.04987	0.4
73.02921	1.5
81.03418	1.9
83.01327	0.2
85.02908	12.3
86.01635	0.2
87.04454	1.0
91.03953	2.5
97.02895	5.0
98.20639	0.2
99.04465	0.9
101.02375	0.2
109.02874	1.7
111.00810	1.9
111.04456	0.2
115.03910	0.3
123.04443	0.2
123.72149	0.2
127.03915	3.0
137.02341	1.2
138.67230	0.2
139.03864	0.5
145.04953	2.2
147.04369	0.2
152.80096	0.2
153.01834	7.5
161.05939	0.2
163.06026	0.7
165.01831	2.6
165.03113	0.3
166.02597	0.4
175.03822	0.2
177.05453	0.3
179.03436	1.1
183.02913	0.7
189.05487	0.7
189.08995	0.2
193.01230	0.2
195.02875	0.7
199.03815	0.2
200.95035	0.2
203.03447	0.4
207.02751	0.3
217.04974	2.6
221.04367	0.3
227.03447	0.2
229.05037	0.2
235.06017	0.2
245.04472	4.0
246.06200	0.2
255.02917	0.5
263.05502	0.6
263.08148	0.2
273.03912	4.1
283.02374	0.2
290.04245	1.1
291.05032	0.3
301.03409	1.1
318.03687	0.5
319.04486	100.0
320.04773	0.9
343.04401	0.3
361.05536	0.7
393.60013	0.2
481.09787	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	643.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.2
57.33401	0.2
67.05488	0.6
69.07066	0.5
70.11111	0.4
70.11478	0.7
75.31247	0.2
79.05494	0.4
81.07037	0.9
83.08624	0.3
91.05490	0.3
93.07061	0.6
98.20750	0.3
105.07007	0.5
107.08592	0.4
119.08559	0.4
129.07019	0.3
131.08525	0.3
133.10114	0.4
149.13168	0.3
171.20218	0.2
174.86259	0.2
204.38933	0.3
283.60782	0.2
396.12036	1.2
397.13028	2.1
398.13980	0.9
399.14688	0.3
409.13010	0.6
410.13864	2.2
411.14578	6.0
412.15372	4.0
413.16153	2.4
423.15085	2.0
424.11136	1.2
424.16306	2.6
425.16321	12.1
426.16956	9.1
427.17572	1.7
428.18790	1.4
435.14624	0.4
436.15643	0.4
437.16849	1.2
438.12332	2.8
438.18069	0.7
439.13565	13.9
440.13937	0.8
440.19183	5.2
441.19321	38.2
442.19693	1.1
451.13428	0.6
451.18591	0.4
452.14444	3.4
453.15344	17.8
454.16022	4.5
455.21524	0.5
457.15234	0.5
458.15799	0.3
463.14001	0.9
465.15866	0.7
466.12134	0.4
466.17032	0.5
467.17197	27.5
468.17889	14.8
469.18860	13.4
470.19815	0.5
471.16757	0.8
472.17746	0.8
477.15115	0.2
478.16522	0.4
479.16885	0.4
480.17459	0.9
481.14761	15.2
482.15521	3.2
483.16373	0.6
485.18124	0.9
486.19333	0.5
487.20123	0.2
493.14972	0.3
494.18201	0.4
495.16943	2.0
496.17245	12.6
497.18011	2.3
498.18713	0.9
499.20853	1.3
508.19586	0.7
509.18491	2.4
510.20847	0.3
512.20819	1.4
513.21686	0.3
514.22552	2.7
522.17920	0.7
523.19910	1.6
525.18298	0.3
527.23425	3.5
528.24005	0.6
537.19299	0.5
539.20038	0.4
540.19940	0.9
541.20172	0.3
542.21729	1.0
545.23779	0.3
545.38318	0.3
551.19025	0.3
554.20251	0.3
555.22443	28.2
556.22644	1.2
568.19617	0.8
573.23218	0.3
583.21918	100.0
584.22205	4.2
586.20441	0.3
587.24847	1.5
611.21399	1.6
614.24023	0.9
615.24487	11.3
616.24585	0.4
625.44116	0.4
643.23969	78.0
644.24323	2.9
645.77222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01863	1.3
55.05518	10.6
57.03450	4.7
57.07080	23.9
58.74400	0.9
67.05508	27.4
69.07074	11.2
69.50912	4.8
71.04993	2.0
71.08634	21.5
76.75702	0.8
79.05496	17.7
81.03394	0.9
81.07062	31.5
83.04984	5.2
83.08630	9.4
85.06554	1.4
85.10188	9.7
89.06042	0.9
91.05489	12.4
93.07051	19.7
95.04977	6.7
95.08615	22.8
97.06522	4.4
97.10172	3.0
98.20795	1.6
99.08093	2.7
105.07052	6.6
107.04974	0.9
107.08600	10.0
109.06521	1.3
109.10166	8.2
111.08102	1.7
117.07018	4.8
119.08573	3.2
121.06545	1.2
121.10136	3.1
123.11710	2.6
124.50434	0.8
125.09652	1.0
131.08578	5.0
133.10129	5.0
135.11711	3.3
139.11188	1.5
143.24879	0.8
145.10191	1.5
147.11678	1.9
149.13297	5.8
151.11215	6.0
159.11697	3.2
161.13269	1.6
163.11221	2.0
177.12701	1.3
195.13864	2.5
227.12749	0.9
239.23715	2.8
241.19569	1.2
251.16284	1.1
259.20566	2.2
269.17520	10.1
277.21585	5.9
313.27386	26.0
318.11646	0.8
351.25278	9.1
367.85931	1.0
469.24469	0.9
507.40494	100.0
508.40802	1.8
589.48395	5.5
607.48694	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01868	1.2
55.05516	5.1
57.03424	1.1
57.07076	0.5
59.05011	0.6
61.02932	2.0
65.03932	0.7
67.05508	14.4
69.03423	0.7
69.06737	0.3
69.07077	5.0
69.29713	2.5
71.04977	1.1
73.02908	0.7
79.05499	12.1
81.03412	1.0
81.07066	13.4
82.07368	0.5
83.04979	1.3
83.08627	2.9
85.02921	2.2
85.06558	0.6
88.46082	0.3
91.03944	0.9
91.05486	15.2
93.07047	12.8
95.04980	1.9
95.08614	9.1
97.02898	1.0
97.06531	2.2
97.10171	1.4
98.21585	0.4
99.08095	0.7
101.06017	0.4
103.05463	1.0
103.78777	0.3
105.07036	16.4
107.04957	1.6
107.08604	6.6
109.06515	2.2
109.10163	3.8
111.08099	0.8
111.11060	0.3
115.05475	1.1
116.06193	0.6
117.07024	7.7
119.08582	11.5
121.06511	1.5
121.10144	4.9
123.08060	1.7
123.11705	0.9
125.09647	0.8
128.06221	0.8
129.07014	5.5
130.07730	0.3
131.07597	0.7
131.08578	13.2
133.06514	1.1
133.10141	6.2
135.08057	1.3
135.11717	2.2
137.09619	0.9
141.07033	1.9
142.07785	0.5
143.08568	5.6
145.04860	0.4
145.06485	0.8
145.10127	8.5
147.08037	2.1
147.11710	2.5
149.09615	1.1
149.13228	0.7
151.11200	0.8
153.07054	0.4
155.08554	3.0
157.06502	0.4
157.10129	4.4
159.08078	0.8
159.11703	3.5
161.09604	1.0
161.13287	1.1
163.11166	0.6
167.08585	1.5
168.09363	0.4
169.10155	2.9
171.08032	0.6
171.11679	3.1
173.09604	0.6
173.13298	1.8
175.11301	0.7
181.10132	1.2
183.11690	2.0
185.09604	0.4
185.13281	1.7
187.11185	0.3
187.14824	1.1
195.11751	1.3
197.13239	1.9
199.11156	0.3
199.14830	1.0
201.12720	0.5
201.16316	0.5
208.31390	0.3
209.13283	0.8
211.14847	1.4
213.12741	0.7
213.16431	0.6
215.14380	0.4
215.17776	0.4
217.15837	0.4
223.14851	1.0
225.16469	0.8
227.14581	0.6
233.15428	0.8
235.14999	0.5
235.17216	0.4
235.38980	0.4
237.16412	0.4
241.15849	0.5
243.17735	0.4
245.15508	0.5
247.16998	0.7
257.19009	0.4
259.16965	0.8
261.18585	0.5
269.19360	0.3
273.18539	0.7
275.20074	1.4
276.20422	0.8
325.25266	0.9
335.23724	1.2
343.26297	1.5
350.24057	0.7
353.24753	3.5
371.25833	3.9
389.26880	5.9
427.28513	0.9
445.29532	100.0
446.29794	1.6
463.30585	21.8
464.31161	0.5
544.37079	0.8
607.34314	0.5
624.43677	0.7
642.29669	2.4
642.44958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01870	1.9
55.05270	0.5
55.05513	6.9
57.03447	1.8
57.07062	1.0
59.05003	0.5
61.02936	2.5
65.03936	1.0
67.05509	16.7
68.05802	0.6
69.03411	0.8
69.07071	6.0
69.46632	2.6
71.04977	1.4
73.02915	0.7
79.05500	13.4
80.05814	0.5
81.03419	1.0
81.07062	16.8
82.07393	0.6
83.05006	1.8
83.08622	3.1
85.02914	2.2
85.06538	1.2
91.03947	1.3
91.05486	16.9
92.05811	0.7
93.07050	14.6
94.07375	0.5
95.04965	2.6
95.08610	10.0
97.02894	0.7
97.06540	3.3
97.10162	1.8
99.08099	0.7
103.05481	0.9
105.04530	0.6
105.07040	17.6
106.07359	0.5
107.04965	2.4
107.08596	8.2
108.08908	1.0
109.06524	2.3
109.10167	4.9
111.08099	1.2
113.06005	0.5
115.05457	1.2
116.06228	0.4
117.07021	9.5
119.08588	12.9
120.08905	0.5
121.06502	2.2
121.10152	6.2
123.08073	1.7
123.11699	1.0
125.09618	1.2
128.06232	1.4
128.16327	0.4
129.07018	5.6
130.07780	0.4
131.08575	15.3
133.06494	1.5
133.10138	7.7
134.10492	0.6
135.08018	1.9
135.11699	1.6
137.09636	1.4
141.06982	2.6
142.07744	1.1
143.08556	6.2
145.06564	1.2
145.10129	10.1
147.08054	1.4
147.11682	2.9
149.09625	2.8
149.13264	0.8
151.11179	0.7
154.07800	0.4
155.08505	3.9
157.10139	4.1
159.08040	0.8
159.11684	4.4
161.09610	0.9
161.13266	1.3
163.11186	1.2
167.08553	1.1
169.10138	3.8
171.08054	0.6
171.11699	4.0
173.09590	0.8
173.13315	1.9
175.11220	0.8
175.14871	0.5
181.10120	1.6
183.11768	2.1
185.09602	0.7
185.13266	2.4
187.11133	0.7
187.14862	1.4
188.11513	0.4
189.11261	0.6
189.12866	0.6
195.11717	1.4
197.13245	2.6
199.11220	0.5
199.14835	1.5
201.12697	0.5
201.16382	0.6
203.14468	0.4
207.11931	0.4
209.13225	1.1
211.14845	1.3
213.12752	0.6
213.16429	0.6
215.14314	0.6
217.15962	0.4
223.14845	1.4
225.16321	0.8
227.17912	0.4
229.15948	0.5
233.15273	0.6
241.15929	0.8
241.19586	0.5
247.16965	1.3
255.17610	0.5
257.19031	0.6
259.17001	1.1
261.18521	1.1
271.17010	0.4
273.18549	0.5
275.19968	2.6
276.20413	2.1
325.25275	1.2
335.23749	1.6
343.26318	1.5
349.23538	1.2
350.24219	1.4
353.24832	4.7
371.25824	5.8
389.26965	5.9
412.63120	0.4
427.28662	0.7
445.29526	100.0
446.29602	2.3
462.20102	1.3
463.30582	31.1
464.21381	0.5
464.30844	1.1
468.24527	0.5
495.23474	0.8
496.23709	0.5
543.37323	0.5
544.37164	1.0
545.38977	0.6
564.26678	0.6
582.27997	3.7
595.68597	0.4
606.42615	0.4
607.34454	0.5
624.43549	2.2
642.29889	10.7
642.44476	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	3.0
53.03954	11.4
55.01875	17.6
55.05269	4.9
55.05515	61.8
57.03436	11.4
57.07078	3.9
65.03942	6.4
67.05509	97.8
69.03424	9.8
69.07073	50.0
69.15484	15.2
69.15913	12.3
71.05003	8.9
79.05496	83.2
79.59256	2.4
81.03416	8.7
81.07061	95.7
83.04970	13.5
83.08617	27.8
85.06536	4.5
91.05484	77.7
93.07051	68.8
95.04988	14.0
95.08619	57.6
97.02914	4.0
97.06527	14.8
97.10174	32.5
99.08094	4.9
105.06313	4.0
105.07035	72.5
107.04951	12.0
107.08606	51.1
109.06518	11.5
109.10155	33.5
111.08099	6.7
113.84750	2.3
115.05535	3.6
115.60439	2.6
117.07027	38.3
119.08588	59.8
121.06499	10.8
121.10143	27.2
123.04476	2.6
123.08070	7.5
123.11703	11.8
125.09628	29.1
128.06248	6.0
129.07018	23.2
130.07805	4.4
131.08572	43.0
133.06487	4.1
133.10129	47.3
135.08087	8.8
135.11731	16.4
137.09604	7.7
141.07033	11.7
142.07780	4.8
143.08560	26.7
145.06459	4.2
145.10146	40.4
147.08052	5.7
147.11676	37.5
149.09621	7.9
149.13254	8.7
151.07506	3.5
151.11215	3.0
153.09114	7.3
155.08586	14.7
157.10132	21.4
159.08051	3.9
159.11690	28.6
161.09543	4.0
161.13249	22.0
163.11214	4.2
167.08533	5.3
168.09421	3.4
169.10149	19.9
171.11673	19.5
173.09648	3.1
173.11945	3.3
173.13239	13.5
175.11163	2.9
175.14845	9.9
177.12680	4.5
179.14311	5.0
181.10121	7.4
183.11635	16.1
185.13199	14.0
187.14850	4.9
189.11224	15.1
191.14325	3.7
193.10106	3.4
195.11737	6.6
197.13243	13.4
199.14839	6.8
201.16432	6.8
203.14287	3.8
207.11664	5.7
209.13235	8.6
211.14857	6.3
213.16476	4.1
221.13239	6.2
221.72142	3.0
223.13266	11.0
225.16411	7.1
227.12733	24.6
229.19473	3.7
231.17493	4.1
231.21066	4.3
231.28967	2.9
235.14981	3.6
237.16467	4.0
239.18077	3.5
241.19496	19.8
243.15787	3.6
247.20816	3.2
257.19052	6.4
259.20572	38.1
261.18484	3.6
271.16818	4.0
273.18442	13.1
275.20108	24.1
285.22256	3.6
289.18024	4.4
291.19547	62.3
293.21136	3.9
299.23471	4.2
309.21869	4.0
314.19846	2.8
333.24274	35.1
335.25790	5.5
349.23862	12.6
363.26636	4.0
365.23312	26.2
367.24908	4.0
375.36258	2.8
379.30081	7.7
381.28070	4.4
387.67355	2.9
397.31223	4.2
397.46750	3.1
403.19312	3.0
405.21323	3.1
417.21042	3.2
429.20911	3.2
431.22479	4.8
433.24164	3.3
437.30215	3.5
475.21271	5.5
475.31848	3.1
477.22858	11.1
487.24905	4.1
491.24524	5.8
511.34317	7.7
513.36499	6.3
525.35577	7.4
529.35345	5.5
531.37823	6.6
543.36664	10.4
545.25256	10.4
547.26978	12.8
549.24469	13.0
549.39001	5.0
550.25647	13.2
563.25800	6.6
567.39972	3.4
579.29797	3.1
591.25970	12.7
605.18500	2.6
605.27637	18.2
605.42010	23.0
623.28448	84.8
623.42902	100.0
624.28839	4.2
641.29181	19.0
641.44092	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	7.8
55.01874	25.8
55.05515	43.7
57.03439	6.8
57.07069	2.4
59.04998	2.4
60.27136	1.3
65.03940	4.1
67.05507	79.4
69.03434	2.9
69.07072	38.4
71.04987	8.2
71.08630	2.9
71.52773	1.6
71.53130	2.2
77.03915	1.7
79.05496	77.9
81.03425	11.8
81.03834	2.1
81.07059	78.0
82.64844	1.3
83.04993	12.6
83.08620	27.4
85.06532	4.0
91.05486	75.2
93.07049	61.2
95.04968	15.5
95.08611	45.6
96.08894	1.3
97.06539	31.1
97.10171	23.3
99.08107	4.1
103.05483	2.2
105.04516	1.7
105.07039	66.6
107.04963	22.9
107.08595	68.0
109.06540	10.4
109.10162	30.6
111.08080	7.8
113.09709	1.8
115.05438	3.0
117.07023	23.2
119.04949	1.5
119.06080	1.3
119.08582	45.2
121.06507	5.4
121.10159	25.7
123.08106	6.9
123.11723	9.2
125.09634	19.5
125.47846	1.4
128.06189	2.8
129.07014	14.0
130.07803	2.1
131.08574	31.4
133.06491	4.8
133.10129	37.6
135.08078	7.5
135.11707	16.4
137.09653	6.7
137.13171	1.9
141.06996	6.6
142.07791	2.6
143.08563	15.5
144.09244	1.4
145.06506	3.9
145.10129	34.2
147.08051	4.5
147.11690	21.9
149.09627	31.2
149.13275	6.6
151.11180	6.0
153.09081	2.7
155.08527	7.3
156.09366	2.0
157.10132	16.2
159.07986	2.6
159.11691	21.7
161.09618	4.7
161.13277	10.6
163.11176	14.8
163.14847	1.6
165.09082	1.7
165.12793	3.5
167.08522	2.8
169.10155	10.7
171.10255	3.1
171.11693	11.9
173.11761	3.1
173.13275	11.4
175.11223	3.0
175.14847	1.8
177.12769	5.3
179.14316	10.6
181.10103	6.0
183.11725	10.1
185.13275	7.4
187.11183	4.1
187.13254	1.8
187.14828	4.1
189.11232	13.0
189.12749	3.1
191.14377	1.6
193.10100	2.3
195.11690	4.6
197.13318	7.4
199.14822	4.2
201.12772	1.7
201.16409	1.8
205.12236	1.9
209.13287	3.4
211.14815	5.7
213.16443	10.0
215.14293	1.4
215.17914	1.5
223.14923	1.6
225.16301	2.6
227.12761	24.2
227.18002	2.6
229.14255	2.2
229.19472	8.5
237.16325	1.9
239.18002	6.1
243.15819	1.8
245.13380	1.6
247.20592	5.4
253.19627	1.4
255.17422	1.6
257.18954	17.0
257.51791	1.4
259.20551	1.8
265.19559	1.9
267.15933	4.2
273.18478	3.0
275.20087	100.0
276.20413	2.4
277.21695	3.7
285.22083	2.1
291.19598	4.2
293.21176	9.5
313.21683	1.9
331.22714	4.5
349.23764	49.2
363.26703	2.5
381.27747	3.2
383.89642	1.5
417.21527	1.7
421.20822	1.6
437.30643	1.9
445.29422	1.5
451.58932	1.5
455.31317	2.0
459.31165	1.6
511.34158	3.7
513.36920	3.8
519.33203	2.6
529.35364	5.8
531.38391	5.0
535.23730	2.8
543.36823	24.0
549.39124	4.3
581.27277	6.0
595.25171	2.8
605.41681	5.9
623.43024	55.3
641.29443	27.5
641.43817	49.6
642.29810	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70472	2.0
53.03937	9.3
55.01877	7.0
55.05512	30.7
57.03227	2.3
57.03444	20.9
57.07072	2.7
57.74513	2.4
59.05011	3.1
60.03057	2.2
61.02902	2.8
64.50827	2.1
67.05507	76.8
69.03437	20.6
69.07072	23.4
71.05001	9.9
71.52769	2.3
73.02930	4.5
79.05496	50.1
81.03424	100.0
81.07063	86.8
83.04980	45.3
83.08626	28.4
85.02914	23.6
85.06562	8.6
89.05148	2.1
91.05486	60.0
93.07049	69.5
95.04976	32.2
95.08612	30.6
97.02885	16.6
97.06536	11.0
97.10166	8.6
99.04460	5.5
99.08104	4.5
105.07036	33.6
107.04959	11.9
107.08606	33.9
109.02889	15.3
109.06532	8.4
109.10174	9.9
111.04447	14.2
111.08092	14.0
113.06013	4.5
115.05504	2.7
117.07010	11.0
119.08575	29.7
119.55960	2.1
121.06528	8.7
121.10150	25.7
123.08110	5.2
123.11732	8.4
125.09636	6.2
127.03926	10.0
129.05527	10.8
129.07027	18.9
131.08591	29.1
133.06509	6.8
133.10143	21.0
135.08076	3.7
135.11708	12.2
137.09650	3.5
143.08586	5.0
144.79564	2.7
145.06563	3.0
145.10149	8.8
147.08121	5.2
147.11691	27.7
149.09621	4.9
149.13283	20.4
155.08560	4.4
157.10161	17.6
159.08098	3.0
159.11687	16.7
161.13260	3.7
163.11200	2.3
165.09149	2.5
165.12794	6.2
173.04494	4.5
173.13255	4.1
175.11221	16.6
177.12808	6.7
183.11734	2.7
193.12254	46.4
193.13919	4.2
195.12108	2.0
195.13777	11.8
197.13264	2.3
211.13292	57.0
213.12697	2.8
227.12831	5.6
249.14886	3.7
267.15933	39.8
269.17471	43.3
275.16519	3.3
275.20020	4.9
285.17014	26.7
339.18088	8.8
355.17676	6.3
369.24213	4.7
387.25107	3.0
411.19876	3.6
413.21664	14.3
429.21051	5.5
435.27362	3.0
443.27979	8.9
461.29025	69.4
479.30078	75.7
479.36996	4.3
530.09802	2.4
543.36621	6.4
569.31421	3.5
587.32599	2.4
605.32849	7.8
623.34155	51.9
641.35260	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	641.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.4
55.01872	5.0
55.05514	27.9
55.28473	2.7
55.94242	2.6
57.03437	20.0
67.05509	66.4
69.03425	15.5
69.07072	26.0
70.68515	6.5
70.68854	3.4
71.04982	11.8
79.05499	52.8
81.03426	100.0
81.07062	81.6
83.04989	32.8
83.08620	35.3
85.02925	18.6
85.06557	4.8
91.05489	41.9
93.07050	54.5
95.04982	29.3
95.08614	24.8
96.22193	2.7
97.02900	14.4
97.06531	10.0
97.10177	4.2
99.04455	5.6
99.08109	4.2
105.07040	22.3
107.04982	7.6
107.08604	36.8
109.02886	10.9
109.06506	4.7
109.10162	4.7
111.04453	12.5
111.08057	12.7
113.06078	3.0
117.07030	9.5
119.04974	3.1
119.08573	18.7
121.06497	3.4
121.10164	20.9
123.08065	4.8
127.03938	7.4
129.05473	6.9
129.07011	12.3
131.08560	21.6
133.06496	3.2
133.10141	13.4
135.08026	3.2
135.11703	8.2
145.10121	3.9
147.11697	16.5
149.09656	7.9
149.13266	24.9
157.10130	14.4
159.11722	11.6
163.11180	5.8
165.12682	3.4
175.11171	18.9
177.12782	7.9
177.23901	2.7
181.12221	7.1
193.12244	45.3
195.13788	11.6
211.13290	52.3
213.14970	3.5
227.12762	4.5
267.15894	38.5
269.17490	78.1
285.16913	15.5
311.97186	2.9
319.15167	3.1
355.17618	9.9
411.20163	7.1
429.21146	19.5
461.29062	95.0
479.30109	61.2
587.32153	3.3
623.24603	4.7
623.34344	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2975
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
53.03946	1.8
55.01873	1.8
55.05519	4.6
58.34689	0.8
67.05517	9.7
69.03441	0.9
69.07079	4.0
70.97002	1.5
79.05494	6.8
81.07056	11.0
83.04957	1.3
83.08620	3.2
91.05479	6.4
93.07054	7.4
95.04970	1.8
95.08623	6.3
97.06539	2.4
99.08128	1.0
102.72237	0.7
102.76697	0.8
105.07041	8.7
107.04963	2.9
107.08610	5.3
109.06510	2.2
109.10139	2.7
117.07031	3.4
119.08598	5.7
119.26424	0.7
121.10175	2.3
125.09727	0.9
129.07033	1.3
130.07852	1.2
131.08591	3.5
133.10117	5.5
135.11696	1.8
141.06923	0.9
142.49370	0.8
143.08586	1.6
145.10123	2.3
147.11681	2.4
149.09630	1.9
149.13271	1.2
157.10164	1.5
159.11688	2.5
161.13283	1.6
163.11206	1.4
169.10080	1.1
169.18280	0.8
171.11786	1.4
173.09665	1.1
173.13298	1.6
183.11777	0.9
197.13307	1.0
213.16414	0.8
225.10271	0.8
227.12842	1.2
247.20476	1.1
257.18918	0.9
273.18716	1.3
275.20081	10.1
291.19516	1.6
293.21091	1.1
321.89975	0.8
349.23837	3.9
389.17844	1.5
401.17560	1.1
402.18478	1.0
403.19208	3.2
405.20840	1.6
406.21509	1.6
407.22363	1.6
415.19244	2.8
416.20374	1.3
417.20740	3.5
418.21640	3.0
419.22250	0.9
421.23947	1.6
429.20648	3.0
430.21658	2.3
431.23132	4.0
433.23947	5.2
435.21948	1.5
443.22266	1.3
444.18732	1.7
445.23816	3.6
446.24597	1.5
447.18018	1.9
447.25348	1.8
449.23889	1.0
459.21799	2.7
460.22369	2.2
462.20203	4.7
463.21262	4.6
471.22180	1.1
472.22562	1.0
473.23718	3.8
474.24249	2.4
475.21237	5.4
476.21838	1.9
477.22934	14.9
487.25110	5.8
489.22693	2.6
490.24100	1.0
491.24768	4.6
504.25372	1.3
505.25958	3.6
506.26630	2.5
515.24664	1.6
517.22070	1.6
519.27686	2.4
521.22668	1.1
523.26550	1.6
535.23230	2.9
543.36932	1.3
545.25568	8.5
546.25995	1.2
547.27112	11.3
549.24927	13.5
550.25690	15.0
563.26807	3.7
564.26947	3.0
577.27637	1.3
579.29871	5.7
591.26074	12.6
605.27594	20.4
609.26007	1.2
623.28644	100.0
623.42987	4.6
624.28253	1.6
641.29474	4.2
641.44019	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	641.2973
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
51.96351	0.7
53.03938	0.6
55.01872	1.3
55.05509	3.0
57.03430	1.0
67.05509	4.7
68.29121	0.7
69.07068	2.8
69.45708	4.8
79.05503	4.6
81.07054	6.7
83.08615	1.3
91.05491	4.9
93.07052	5.2
95.04958	1.4
95.08576	3.3
97.06531	2.0
97.10159	1.1
98.20796	1.3
105.07051	3.7
107.04950	1.7
107.08601	3.9
109.06523	1.2
109.10161	1.4
113.40312	0.7
117.07046	1.5
119.08601	2.9
121.10173	1.9
125.09655	0.8
126.26102	0.7
129.07065	1.1
131.08583	1.8
133.10139	2.1
135.11736	0.9
143.08592	1.0
145.10158	2.3
147.11707	1.3
149.09676	1.2
149.13342	0.9
155.08577	0.8
159.11746	1.4
160.91444	0.6
173.13246	0.7
182.79002	0.6
183.09360	0.7
185.10706	0.7
223.12305	1.2
224.13138	1.3
225.13980	1.7
227.11842	1.1
237.13947	1.0
238.14592	0.8
239.11887	1.5
239.15471	1.2
263.21143	0.6
275.20096	4.6
290.13113	0.8
304.14685	0.9
307.10574	0.7
313.15546	1.2
318.16122	1.1
319.16782	1.1
330.15741	0.9
332.18073	0.7
336.42133	0.6
348.20853	0.8
349.23663	1.5
368.14417	0.7
374.18808	1.1
384.17136	1.7
391.19186	1.3
392.19949	2.0
402.18295	0.8
403.19229	2.6
404.20129	0.9
406.21304	1.7
407.22375	3.7
412.16858	1.5
415.19333	1.9
416.20187	2.2
417.21002	3.1
418.21732	2.1
419.22308	2.4
420.22830	1.6
421.24124	3.1
422.24313	4.7
426.18570	1.1
429.20758	2.3
430.21713	1.8
431.22723	3.8
433.24146	5.5
434.24780	4.3
435.21890	1.2
443.22665	1.5
444.18497	3.5
445.19205	1.1
445.23993	2.6
449.23331	1.6
458.20743	0.9
459.20990	3.1
460.22498	2.7
461.19958	2.6
462.20245	3.2
463.20963	4.0
472.22641	0.9
473.23370	2.8
474.24136	2.0
475.21088	4.0
476.22299	1.9
477.22949	11.6
485.23303	1.2
487.24942	3.4
489.22861	1.2
491.24600	3.7
492.25287	0.9
503.24411	1.1
505.25952	2.6
506.26868	2.5
515.24292	1.8
519.27765	1.5
532.25116	1.1
535.23499	2.8
543.36517	3.9
545.25354	7.1
547.27118	13.0
549.25043	8.4
550.25806	13.2
563.26508	4.0
564.27460	2.3
565.29199	0.8
573.24829	1.2
577.27863	1.7
579.29486	5.6
591.26141	12.5
605.17847	0.9
605.27563	15.6
609.27124	10.0
623.28632	100.0
624.29028	1.6
641.29651	9.0
641.44043	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	641.2972
Annotation	Crooksiine
Peak:m/z	Relative Intensity
52.87856	0.7
55.01870	2.6
55.05517	4.5
57.03420	0.7
67.05506	7.3
69.07076	4.3
69.16108	0.6
69.16394	7.1
79.05495	5.2
81.03429	1.1
81.07057	8.2
83.04999	1.2
83.08604	1.9
91.05492	6.7
93.07059	6.4
95.04980	1.9
95.08598	3.4
97.06528	3.7
97.10175	1.0
105.07046	6.2
107.04938	1.6
107.08604	3.8
109.06547	1.0
109.10164	2.2
117.07044	2.7
119.08588	5.6
119.91397	0.6
120.04508	0.7
121.06474	1.0
121.10162	2.7
124.02116	0.6
129.06992	0.7
131.08580	2.2
133.10130	3.7
135.08073	1.0
135.11722	1.1
143.08623	1.0
144.08040	0.8
145.10162	3.1
147.11697	2.6
147.66995	0.7
149.09583	0.7
149.13272	1.0
155.08698	0.7
157.10167	1.0
159.11726	1.7
161.13309	1.5
163.11154	1.2
169.10150	0.9
171.11647	0.9
173.13309	1.0
179.14389	0.8
181.22159	0.7
183.09193	0.8
183.11691	0.8
185.13275	0.7
188.03439	1.1
197.10820	1.4
210.11557	0.7
211.12271	1.4
223.12302	1.3
224.13206	2.2
225.13953	3.7
226.14494	0.8
227.11772	1.2
235.12337	0.7
237.13947	1.7
238.14844	1.1
239.11868	1.4
239.15450	2.4
239.17802	0.8
257.19009	0.8
263.15442	0.8
275.15314	1.0
275.20102	7.4
277.15643	1.1
290.16611	1.2
291.14059	0.7
292.17896	1.3
293.50555	0.7
300.65189	0.8
304.14636	1.3
304.18088	1.5
305.18961	1.9
307.10922	0.9
313.15625	1.4
318.16064	1.4
319.16971	0.8
328.18219	0.9
330.16324	0.9
332.17883	2.0
333.18643	1.0
334.19174	0.8
345.18521	0.8
348.21008	1.2
349.23688	4.1
354.12625	0.9
369.15149	0.8
373.18707	0.8
375.19916	1.3
384.17020	2.2
387.19778	0.9
392.19940	4.3
393.20743	1.9
401.18390	0.9
403.19574	1.3
404.20041	1.9
405.21228	3.3
406.21436	5.0
407.22217	6.6
408.23148	1.1
412.16550	1.4
415.19427	0.9
416.20090	1.2
417.21057	2.1
418.21640	2.3
419.22275	3.0
420.23621	3.3
421.23880	6.6
422.24380	7.0
426.18195	1.7
429.21283	1.3
430.21964	0.7
432.23187	0.9
433.24088	2.0
434.18124	1.3
434.24463	7.0
435.21936	1.4
443.21997	0.9
444.18988	4.5
447.17908	1.1
449.23615	0.9
462.20541	2.4
463.21198	10.3
474.25003	0.9
475.21490	5.2
476.21182	2.2
477.22894	5.1
485.23624	1.2
487.24893	2.5
489.23517	1.7
490.23724	0.8
491.24677	3.3
494.26868	2.8
495.27567	3.1
508.22784	0.8
515.24384	0.9
518.23407	1.3
519.20569	1.0
519.27875	1.0
520.21997	0.8
522.26453	1.4
523.27026	1.7
533.21863	1.1
535.22961	1.6
543.37054	2.3
545.25629	8.2
547.27173	7.2
549.24982	15.1
550.26123	5.5
561.21307	1.8
563.26495	5.6
564.26648	1.6
565.28186	1.9
576.23438	1.7
579.29779	1.7
581.27692	1.3
591.26093	40.2
592.26514	0.8
595.29181	1.2
605.27655	6.7
609.27063	17.1
623.28662	100.0
623.42731	3.2
624.28625	2.6
641.29718	19.0
641.44305	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	641.2969
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.01874	0.3
55.05500	0.7
57.03439	0.6
60.75426	0.2
65.03915	0.2
67.05509	2.4
69.07067	0.8
69.40985	0.2
69.94279	0.2
70.56522	0.6
79.05502	1.1
81.03413	0.6
81.07055	1.8
82.68436	0.2
83.04964	0.3
83.08618	0.3
85.06549	0.5
91.05492	1.8
93.07042	1.8
95.04972	1.1
95.08607	1.0
97.06523	0.5
100.80245	0.2
105.07040	1.4
107.08602	1.0
108.08080	0.3
109.06518	0.9
109.10165	0.5
113.06004	2.0
117.07042	0.9
119.08609	0.9
121.06512	0.2
121.10149	0.5
121.56456	0.2
129.07025	0.4
131.08578	1.2
133.10170	0.7
135.08058	0.5
135.11755	0.3
143.08556	0.4
145.10129	0.9
147.08070	0.3
147.11728	0.8
149.09631	0.4
157.10025	0.3
159.11729	0.8
165.12746	0.3
169.10127	0.4
171.11703	0.3
175.14827	0.3
187.14816	0.3
195.11745	0.2
204.06567	0.3
209.10777	0.2
210.11258	0.2
213.10518	0.2
225.10310	0.5
237.10103	0.4
239.11743	0.4
241.13570	0.3
249.10342	0.4
251.11748	0.3
253.13391	0.3
263.11819	0.3
265.13531	0.3
273.18506	0.4
275.20135	1.2
279.34900	0.3
291.19638	0.9
297.77115	0.2
325.15735	0.4
328.14615	0.5
330.16006	0.4
333.24435	0.3
339.17700	0.3
340.14740	0.3
344.17697	0.3
349.23749	0.4
356.17798	0.3
362.15228	0.2
377.17792	0.3
390.18469	0.5
391.19162	0.9
404.15958	0.4
404.20468	0.3
405.16595	0.5
405.20926	0.9
406.21622	1.0
407.22601	0.4
409.20477	0.4
417.16986	0.3
418.17938	0.7
419.18292	1.6
420.23175	0.7
421.24338	0.4
422.21036	0.3
430.21344	0.4
431.18854	0.3
432.19547	0.9
433.20218	3.2
434.20947	1.9
435.22214	1.6
445.20355	0.4
446.17502	0.7
447.17548	0.8
447.22931	1.7
448.23343	1.3
449.23416	0.8
451.21512	0.4
460.23312	0.3
461.19516	9.1
462.20428	3.3
463.21051	1.0
465.18967	1.5
467.24634	2.1
475.20874	1.2
476.22092	2.1
477.22983	3.1
478.20532	0.3
479.21005	1.0
480.21640	0.9
481.22272	0.3
489.22794	0.7
491.20432	0.3
493.21933	1.4
494.22928	3.8
495.23862	2.1
505.22281	0.4
507.24179	1.2
511.23495	0.3
520.24640	0.6
521.22284	1.3
523.23145	0.3
525.24829	0.3
533.21832	0.3
534.26563	0.5
535.26611	1.0
538.25452	0.3
539.22632	0.5
543.36963	0.7
547.26501	0.4
548.24194	2.8
549.25116	1.6
551.22943	0.3
553.28082	1.5
563.26575	5.8
564.26611	0.4
566.25061	0.4
576.23456	0.4
581.27631	11.1
593.24310	0.8
607.29279	0.4
608.26447	2.0
609.26495	0.7
612.25452	0.5
613.30194	0.4
623.28900	1.3
623.43127	1.4
624.27570	0.3
641.29694	100.0
642.29932	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	641.2969
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05526	1.0
57.03437	0.2
67.05508	1.7
69.07061	0.6
69.26856	1.3
69.27269	0.5
71.04964	0.2
79.05495	1.9
81.03437	0.2
81.07053	1.9
83.04976	0.3
83.08634	0.5
83.96746	0.2
91.05491	1.3
93.07033	1.2
95.04951	0.2
95.08602	0.8
97.06524	0.5
97.10186	0.4
105.07042	1.3
107.04952	0.4
107.08608	1.4
109.10158	0.8
111.08100	0.2
117.07018	0.5
119.08582	1.1
119.50012	0.2
120.08154	0.2
121.10134	0.5
125.09647	0.4
129.06952	0.2
131.08575	0.7
133.10167	0.6
143.08563	0.2
145.10120	0.7
147.11719	0.4
149.09644	0.4
157.10124	0.3
159.11700	0.5
163.11200	0.3
169.10167	0.2
171.11665	0.3
173.96085	0.2
179.14313	0.5
183.09151	0.3
227.12769	0.7
229.19713	0.4
235.43652	0.2
257.19019	0.4
275.20065	1.8
284.40677	0.2
293.21234	0.2
333.92572	0.2
349.23828	0.7
377.18051	0.6
378.18497	0.2
379.19199	0.8
389.18243	0.3
390.18402	0.3
391.19452	1.1
392.20035	0.6
393.20959	1.8
394.21335	0.3
394.49020	0.2
395.22610	0.3
405.16681	2.1
405.21201	0.5
406.17270	1.2
406.22357	0.4
407.22675	4.0
408.23050	0.7
409.24210	0.3
418.17258	0.5
419.18311	2.5
419.23306	0.4
420.19202	1.7
421.20187	4.3
422.21146	0.5
423.21948	1.0
433.15823	0.3
433.20291	4.2
434.21445	3.3
435.21942	6.9
436.23206	1.0
445.20706	0.2
447.22571	1.3
448.18619	0.5
448.23639	0.3
449.19562	7.8
450.20157	0.3
453.22696	0.3
461.18820	0.4
461.24323	0.4
462.20572	0.8
463.21024	3.2
464.22153	1.9
465.18469	0.5
465.23874	0.4
466.23776	0.3
467.24445	0.6
468.25287	0.3
475.21390	0.3
476.22113	0.4
477.23141	0.8
479.20480	1.5
480.21652	0.6
481.22058	2.0
493.21652	2.3
494.23016	3.0
495.23807	3.1
496.24805	0.3
505.22675	0.3
506.23447	0.3
507.24112	1.6
509.25949	0.3
511.23297	0.2
521.25726	9.5
522.26050	0.4
523.27191	0.7
526.25696	0.3
535.23077	0.5
539.22382	1.3
543.36957	0.9
548.24084	0.4
549.24854	1.0
550.25531	0.3
551.25940	0.3
552.23737	0.2
553.25201	0.7
563.26874	1.0
566.24860	0.3
567.25818	0.4
581.27637	21.1
582.28076	0.5
609.26709	0.6
610.27423	0.2
613.29840	0.4
623.28381	0.2
623.42938	0.9
641.29675	100.0
642.29803	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1332
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
53.03919	0.2
55.01857	0.3
57.03414	0.3
61.02931	5.0
63.25327	0.1
63.40043	0.1
65.03915	0.3
68.99767	0.5
69.03435	0.9
71.04988	0.2
71.44877	0.2
73.02921	1.5
81.03389	0.3
85.02911	4.5
91.03422	0.2
91.03957	2.7
91.05461	0.2
93.03381	0.4
95.04945	0.3
97.02899	2.7
99.04410	0.3
109.02854	0.5
111.00798	1.0
111.04430	0.4
115.03910	0.3
118.10580	0.1
118.86658	0.1
119.04996	0.1
121.02859	1.1
123.04406	0.5
127.03938	0.9
133.06439	0.1
135.04277	0.2
137.02341	3.2
139.03911	7.7
144.88612	0.1
145.04909	0.5
145.06398	0.1
147.04399	0.3
149.02336	0.5
151.03838	0.4
153.01840	4.0
159.04362	0.2
161.05952	0.3
162.39395	0.1
163.03915	1.9
165.01842	2.4
165.05501	0.1
166.02560	0.2
173.05959	0.3
175.03856	0.1
177.05463	0.2
181.04892	0.2
183.02925	1.0
183.04387	0.2
187.03864	0.3
189.05547	0.2
191.03307	0.3
195.02838	0.3
201.03815	0.1
201.05490	1.7
203.03316	0.2
205.04971	0.3
207.02802	0.2
213.05634	0.2
217.04736	0.1
219.02951	0.2
219.06557	0.3
228.04240	0.2
229.04976	4.5
240.41461	0.1
245.04489	0.2
247.06064	0.9
257.04456	3.2
269.04517	0.2
273.03870	0.2
274.04816	1.0
275.05380	0.3
285.03946	1.7
286.04611	0.1
302.04282	0.2
303.04996	100.0
304.05325	1.0
317.06647	1.0
336.20950	0.1
405.06192	0.2
423.07126	0.2
425.08304	0.2
473.11765	0.1
479.08221	25.1
480.08319	0.3
555.10120	0.1
573.09766	0.2
649.62360	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	640.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01867	2.6
55.05515	27.8
57.03432	4.4
57.07078	13.6
67.05188	1.3
67.05513	20.5
68.06896	0.9
69.03440	2.0
69.07074	8.3
69.76377	5.6
71.04989	1.2
71.08640	9.4
71.59125	1.1
79.05070	1.6
79.05497	21.2
81.07061	18.2
83.04963	2.7
83.08627	17.0
85.06575	1.5
85.10165	5.8
90.97587	1.0
91.05470	9.2
93.07055	9.7
95.08624	9.6
97.06535	1.2
97.10178	34.7
103.05478	0.9
104.07227	0.8
105.07047	11.7
107.04945	2.4
107.08602	27.4
109.06495	1.5
109.10169	10.4
111.08099	1.8
117.07008	3.9
119.08593	4.6
121.10128	2.5
123.11706	1.8
125.08773	1.7
125.09648	28.8
131.08569	4.0
133.10146	5.5
135.08044	4.4
135.11691	2.2
145.10115	5.4
147.11691	4.0
149.09659	1.2
153.09093	3.2
159.11714	2.0
171.10165	4.3
171.11600	1.3
185.13219	1.1
189.11211	15.7
227.12801	100.0
257.18979	4.6
275.20053	19.2
293.21338	1.3
313.27374	34.1
331.22662	4.4
349.19809	1.7
349.23776	21.6
349.27939	0.9
483.36859	9.6
507.40292	2.3
529.38611	2.5
587.46741	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	640.515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88214	2.0
53.03941	4.4
55.01884	2.1
55.05509	16.6
55.87429	2.0
57.03444	11.6
57.07081	44.0
57.28639	2.0
67.05178	3.4
67.05512	52.0
69.07080	26.1
71.05003	2.3
71.08646	26.5
71.50691	3.0
79.05499	31.0
81.07063	57.3
83.04974	7.7
83.08614	16.1
85.06546	4.3
85.10195	15.4
91.05492	32.9
93.07050	36.6
95.04961	5.3
95.08611	36.6
97.06545	10.9
97.10166	7.3
99.08085	3.0
105.07038	17.5
107.04988	4.6
107.08608	21.4
109.06531	4.0
109.10163	12.4
111.08080	3.0
115.05457	2.3
117.07034	10.1
119.08584	15.9
120.32085	1.8
121.06505	2.5
121.10155	9.2
121.40862	2.0
123.11721	3.5
131.08575	11.3
133.08672	2.1
133.10101	11.6
135.08073	4.2
135.11697	9.2
136.42110	2.2
145.10156	7.9
147.11681	7.9
149.09654	6.8
149.13231	9.9
159.11702	6.6
177.12842	3.7
195.13840	4.9
217.15903	3.0
229.19531	2.9
233.79607	2.1
239.23656	6.1
244.36899	2.2
251.16351	2.7
255.15929	17.6
257.18951	8.8
267.16068	2.2
269.17493	24.1
275.20059	25.5
291.19507	2.6
293.06339	2.2
293.21100	2.6
308.76654	2.1
313.27399	85.1
315.58728	2.0
331.22589	3.0
349.23721	17.5
367.24677	3.1
493.38931	18.9
507.40479	100.0
587.46509	11.6
605.47626	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	639.4327
Annotation	Sporidesmolide I
Peak:m/z	Relative Intensity
54.04401	0.2
54.84966	0.3
55.01877	0.4
55.05512	2.2
57.07063	1.0
58.06604	5.7
67.05497	1.1
69.07066	0.9
69.82523	1.0
69.82932	0.6
70.06603	0.5
72.07753	0.6
72.08157	11.7
73.06557	2.1
79.05492	0.9
81.07051	1.2
83.04992	1.7
84.08144	0.6
85.08933	0.4
86.09710	21.5
91.05484	0.6
93.07045	0.8
95.08606	0.8
98.06048	0.5
98.09678	0.4
98.21451	0.4
100.11259	100.0
101.06024	1.9
101.11568	0.5
105.07050	0.7
105.43581	0.3
107.08587	0.5
109.10157	0.3
110.17511	0.3
115.70609	0.3
119.08517	0.3
121.10178	0.4
131.08630	0.4
140.14354	3.7
145.10094	0.3
146.11765	2.4
154.12274	1.7
154.15903	0.5
159.11746	0.3
172.13307	2.5
182.11737	0.7
200.12758	0.4
200.16463	1.6
210.14932	0.4
211.14685	0.4
214.14447	1.0
228.15956	7.6
245.18474	0.4
250.87399	0.4
275.20123	0.6
285.21780	4.9
299.23282	7.6
313.21442	0.4
327.22781	12.5
367.25980	0.4
394.26990	0.4
395.25589	1.2
412.31778	0.4
440.30988	2.9
458.32281	6.7
484.34009	1.1
512.33411	0.6
526.34937	0.7
540.36652	0.5
611.43805	32.9
612.44147	0.8
639.28009	0.7
639.43188	17.1
640.43427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01866	4.3
55.05520	25.1
57.03420	2.4
57.07069	6.7
61.02924	2.6
65.03940	5.0
67.05505	70.4
69.03428	5.9
69.07067	24.3
70.16034	2.1
71.08646	3.3
71.53760	4.0
79.05502	34.5
79.05956	1.8
79.20488	2.5
81.03427	5.8
81.07061	100.0
82.17667	2.0
83.04977	6.6
83.08614	17.3
85.02907	6.3
85.06548	4.6
91.05488	28.8
93.07047	53.3
95.04971	14.7
95.08614	88.0
97.02893	4.7
97.06528	8.7
97.10181	9.9
99.04421	3.9
105.07027	52.2
107.04961	2.2
107.08603	48.7
109.06524	34.2
109.10162	43.3
111.08071	6.5
113.06004	12.2
115.05438	3.0
117.07037	11.5
117.42920	1.9
119.08585	54.0
121.06506	58.5
121.10134	32.2
123.08068	16.3
123.11718	16.4
127.03956	3.1
128.06197	2.0
129.07021	8.7
131.08553	32.2
133.06483	7.1
133.10143	27.7
135.08037	25.6
135.11705	18.3
137.09613	5.6
137.13293	7.7
141.06989	6.1
142.07808	4.5
143.08557	21.4
145.06599	3.0
145.10130	42.3
147.08038	29.7
147.11684	17.5
149.09602	10.8
149.13271	11.2
151.07547	4.8
151.11259	3.6
151.14851	7.9
155.07036	6.6
155.08537	7.8
157.10135	26.9
159.08035	7.9
159.11697	29.8
161.09633	38.4
161.13255	10.6
163.11227	8.1
163.14813	6.8
165.09149	3.4
165.13023	2.3
165.16428	5.5
167.08633	2.6
169.10130	14.0
171.08089	4.9
171.11682	20.0
173.09644	11.5
173.13268	17.8
175.11168	12.3
175.14832	11.2
177.12798	5.1
177.16399	3.2
181.10124	6.5
183.11687	13.2
185.09642	10.3
185.13329	12.9
187.11243	16.2
187.14850	6.7
189.12733	7.2
189.16408	8.3
191.10664	2.5
191.17946	4.8
193.10254	2.4
195.11736	7.7
197.09645	2.4
197.13330	9.5
199.11195	8.5
199.14848	10.5
201.12798	9.8
201.16420	9.2
203.14284	3.0
203.17946	2.8
205.10139	2.0
205.19563	3.4
207.11813	3.2
209.13297	5.3
209.15225	2.3
211.11298	3.0
211.14861	6.5
211.56404	2.1
213.12726	11.0
213.16406	5.8
215.14326	7.4
215.17989	8.0
217.12149	2.7
217.15968	6.2
217.19508	3.7
221.13272	3.5
223.14857	5.2
223.16928	3.9
225.16394	5.2
227.14404	11.0
227.17990	8.0
229.15950	5.1
229.19514	4.8
230.27982	2.2
231.17590	2.3
235.14746	3.5
237.16364	3.5
237.18570	3.9
239.17938	2.7
241.15889	10.6
243.17416	21.0
245.19052	3.9
251.17946	2.1
253.15904	4.8
255.17471	13.9
257.18985	3.2
259.16486	2.3
269.18909	2.2
271.16849	2.4
271.20667	2.6
273.18515	10.3
275.19925	2.4
279.23160	3.4
287.23730	3.6
289.25165	7.5
291.19534	6.6
291.22998	3.6
293.24799	3.2
299.20016	3.9
305.24805	15.9
307.20999	2.6
307.26343	63.1
313.27390	3.0
314.27628	4.5
315.28201	2.9
319.26364	2.9
321.27921	8.6
333.27823	3.8
335.29343	4.4
345.27979	3.1
359.29379	8.4
361.30997	2.3
427.35471	4.1
465.37341	3.5
505.40631	3.1
515.42285	2.9
519.42035	3.7
523.41541	35.1
527.37024	11.8
531.41864	25.3
533.43585	5.4
541.36084	2.8
543.42126	23.1
549.43109	10.9
561.43042	82.3
568.65369	2.3
579.44122	52.0
597.45093	15.3
603.43677	2.4
621.45178	35.5
639.27484	10.2
639.46124	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	639.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.9
55.01868	4.9
55.05267	1.3
55.05516	16.5
57.03443	10.2
57.24903	0.8
59.04991	0.8
64.85395	0.8
65.03931	2.0
67.05509	23.4
69.03433	16.4
69.07081	6.0
69.18868	0.8
70.07972	2.9
72.08768	0.9
77.03944	1.1
79.05498	21.9
81.03425	100.0
81.07063	25.0
83.04991	18.9
83.08628	21.4
85.02911	19.2
85.06544	1.5
91.05492	29.5
93.07053	19.0
95.04979	25.6
95.05570	1.5
95.08621	8.3
97.02893	13.0
97.06519	4.8
97.10189	6.7
98.21421	1.1
99.04476	3.6
99.08101	1.2
103.05458	1.5
105.04536	1.0
105.07040	19.3
107.04958	8.3
107.08598	9.3
109.02889	15.6
109.06532	6.3
109.10184	3.2
111.04456	11.9
111.08097	11.0
113.06047	2.3
115.05461	2.0
117.07056	3.9
119.04944	2.2
119.08588	18.0
119.09375	1.4
121.06523	4.5
121.10152	11.8
123.04440	1.4
123.08094	2.0
123.11723	2.6
125.09642	4.9
125.10436	0.9
127.03914	9.2
128.06209	1.1
129.05516	2.1
129.07005	11.0
131.04962	1.4
131.08588	12.8
133.06519	3.8
133.10144	9.7
135.08044	1.4
135.11690	2.2
137.09668	1.1
141.07080	1.1
142.07823	3.2
143.08560	1.4
145.06508	1.6
145.10170	3.5
147.04547	1.0
147.08069	3.0
147.11696	16.4
149.06010	2.2
149.09633	6.0
149.13350	0.9
151.84564	0.9
153.12807	1.8
155.08571	1.5
157.10155	13.4
163.11168	4.8
165.09082	1.8
165.12741	4.8
171.11736	1.4
173.04552	1.7
173.09703	1.4
175.11214	14.2
181.12325	2.6
189.05467	1.1
189.11218	1.8
189.12791	1.3
191.10681	2.8
191.94659	1.0
193.12259	40.5
207.13885	1.0
211.13300	57.9
217.12347	1.0
227.12735	4.1
229.14420	2.0
235.13368	1.7
249.15009	1.7
259.13126	1.0
267.15933	26.0
273.14926	2.1
283.15631	2.2
285.17041	14.9
301.14334	5.0
309.16861	1.0
313.16553	1.3
319.15588	1.9
331.74854	1.0
337.16586	3.5
355.17545	7.2
367.22855	1.5
375.18158	1.6
385.23819	3.5
393.19205	3.4
403.24863	1.1
411.20224	6.5
429.21216	4.8
438.81894	0.9
459.27460	13.9
477.28494	15.1
495.29520	17.3
511.29105	1.8
519.29718	1.2
561.31195	2.1
585.30701	4.5
603.31415	5.8
621.32703	17.1
639.33820	55.8
640.34009	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	639.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59516	1.0
52.81496	1.0
53.03944	10.3
55.01879	6.3
55.05264	1.7
55.05512	21.4
55.47960	1.0
57.03439	11.5
59.04986	1.2
62.76386	1.1
65.03931	2.6
67.05508	32.7
69.03429	16.8
69.07068	9.0
70.77539	3.2
71.01345	2.3
74.95052	1.0
79.05495	31.0
81.03422	100.0
81.07058	38.1
83.04990	23.7
83.08619	23.6
85.02909	21.6
85.06551	3.1
91.05486	40.9
91.05914	0.7
93.07048	24.5
95.04975	39.3
95.08621	13.2
97.02898	17.5
97.06525	9.2
97.10177	7.8
99.04459	6.7
99.08100	1.6
103.05502	2.3
105.07035	32.9
107.04967	9.6
107.08604	15.2
109.02888	19.8
109.06522	7.2
109.10152	6.4
111.04452	18.4
111.08103	12.5
113.06020	2.8
115.05450	3.3
116.90614	1.3
117.07014	5.5
119.04937	2.4
119.07800	2.2
119.08591	24.2
121.06487	5.8
121.10146	13.9
123.04433	3.6
123.08064	3.4
123.11705	3.1
125.06011	1.4
125.09663	5.1
127.03912	9.9
128.06233	1.2
129.05515	2.1
129.07010	13.6
131.04880	1.7
131.08578	14.1
133.06505	6.3
133.10139	16.4
135.08083	4.0
135.11691	3.8
137.05934	1.3
142.07826	5.1
143.08560	1.7
145.06494	2.5
145.10156	5.8
147.04401	1.6
147.08072	4.7
147.11687	23.5
149.06000	2.5
149.09648	9.2
151.11211	4.9
153.12811	3.1
155.08572	1.5
157.06505	1.6
157.10121	16.4
161.06020	1.3
163.03949	1.4
163.11172	5.7
165.05536	1.1
165.12788	6.8
171.08054	1.4
171.10313	1.3
171.11760	1.6
173.04523	2.1
173.09689	2.2
175.11182	15.5
181.12282	4.0
183.06593	1.9
185.13225	1.1
187.40225	1.2
189.11073	1.2
190.73318	1.2
191.10716	3.2
193.12254	51.3
209.11693	2.2
211.13303	71.9
227.12801	5.2
229.14417	3.2
231.13844	1.6
235.13434	2.4
249.14888	2.9
259.13278	1.3
267.15906	26.9
267.18665	1.9
269.17511	1.6
273.14987	3.3
277.14337	2.4
283.15530	4.3
285.16977	20.2
291.16165	1.6
301.14236	5.9
303.15930	1.3
309.17017	2.1
319.15488	4.3
337.16516	5.1
351.17969	1.2
355.17593	7.7
367.22729	3.0
375.18152	2.9
385.23691	6.6
393.19034	5.5
403.25043	3.3
411.20197	11.1
429.21304	5.0
459.27478	16.4
477.28470	22.1
495.29581	27.2
495.36517	2.3
501.28763	2.0
511.28513	1.3
519.29535	1.5
561.30475	2.7
567.29218	1.6
573.31128	1.4
585.30573	4.5
591.32111	2.0
603.31580	6.1
621.32684	22.7
639.33807	63.3
640.34601	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	639.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	0.3
67.77548	0.3
71.12653	0.7
74.09710	0.3
81.07055	0.4
91.05527	0.4
93.07061	0.5
95.08633	0.5
97.90063	0.3
98.20816	0.3
104.72346	0.3
116.67866	0.3
137.65941	0.3
143.46841	0.3
144.75117	0.3
167.05389	0.3
300.15375	0.4
309.12329	0.4
309.15851	0.3
365.11725	0.4
389.18039	1.0
390.18579	1.1
391.19302	1.6
396.09613	0.3
403.19678	1.1
404.20154	2.0
405.20789	7.6
406.21555	0.7
416.20132	0.4
417.20959	1.2
418.21619	1.3
419.22446	5.7
420.23242	4.4
421.24045	1.2
423.21960	0.6
431.18033	0.6
431.23029	0.9
432.23666	0.5
433.20117	0.3
433.24271	3.3
434.24643	2.1
435.18384	1.6
435.25739	0.5
437.23477	0.6
445.20563	1.2
447.21347	4.7
448.26486	0.5
449.19699	3.4
450.20560	2.4
451.21609	0.9
459.21860	0.5
460.22675	0.6
462.20346	0.6
463.21170	1.9
464.22232	2.8
465.22946	3.5
473.23514	0.9
475.21500	0.8
477.23041	2.9
478.23828	1.0
479.24463	28.1
480.25302	1.0
487.21906	0.8
491.24500	2.0
492.25433	1.6
493.26013	6.2
501.23398	0.4
505.25787	1.1
506.27567	0.7
507.27704	0.8
519.24194	1.3
521.29456	0.9
533.25800	0.6
537.25372	0.8
547.26996	3.6
549.25183	0.4
551.26532	8.6
552.27350	0.4
561.25452	0.4
564.27557	2.1
565.28137	4.3
566.28900	13.1
579.29803	11.7
580.30499	1.4
607.27246	1.4
610.28290	0.4
611.28656	0.5
621.27228	0.8
639.31830	100.0
640.32080	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	639.2814
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
50.50901	0.4
55.05514	0.6
58.50821	0.4
64.49284	0.4
67.05495	1.0
69.18927	0.5
69.19328	3.6
69.39825	0.4
79.05495	0.9
81.07085	0.9
83.08623	0.4
91.05495	0.8
93.07034	0.8
95.08583	1.1
98.20734	0.8
105.07051	0.8
109.10196	0.5
119.08606	0.8
121.10162	0.5
129.07004	0.5
133.10161	0.5
145.10147	0.5
147.11674	0.4
183.09158	0.5
209.10739	0.6
218.69861	0.4
237.13806	0.6
251.15437	0.4
300.14981	0.5
312.15067	0.5
324.14844	0.4
326.16382	0.4
328.18353	0.6
376.17007	0.7
377.17636	1.6
378.18625	1.1
386.18216	0.5
388.17645	0.5
389.18082	1.1
390.18521	1.4
391.19263	4.7
392.20032	3.8
393.20981	1.1
401.18329	0.6
403.19360	1.1
404.20105	2.1
405.20786	10.2
406.21594	4.1
407.22333	12.6
415.19101	0.6
417.20700	1.1
418.21872	1.2
419.22437	4.9
420.23184	4.7
421.23892	19.1
422.18304	0.7
422.24689	3.5
431.18036	0.7
432.23499	0.6
433.24286	4.3
434.24817	1.8
435.18198	2.0
435.25345	1.1
436.19083	2.2
437.19785	1.0
445.20422	1.6
446.21091	0.6
447.21692	1.6
447.26517	0.9
448.26312	0.7
449.19092	0.8
449.27112	1.1
450.20654	1.5
451.21304	13.5
452.22055	3.6
460.22641	1.2
461.23746	1.9
463.21207	1.9
464.22076	1.0
465.22903	18.7
466.23654	2.0
473.19827	1.6
475.21271	1.5
475.25458	1.2
477.23083	1.5
478.23642	1.6
479.24472	1.3
487.21225	2.7
488.22186	1.6
489.23175	0.6
491.20984	1.7
492.21219	1.2
492.26099	0.6
493.26196	2.8
501.22919	2.6
502.23636	1.1
503.24435	13.2
504.25116	1.2
507.27649	10.8
508.28406	2.5
518.23999	0.6
519.23907	1.0
523.23346	3.6
523.40594	0.5
524.39905	0.7
533.25519	1.4
535.27094	16.0
536.27045	0.8
537.25037	9.4
541.38666	0.9
551.26782	5.7
552.27332	16.6
561.24908	3.5
562.25818	0.5
579.25970	7.2
580.27325	2.0
593.27942	0.7
595.29156	5.3
607.25281	0.5
621.17053	0.9
621.27142	16.8
639.28149	100.0
640.28284	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2815
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05504	1.1
60.86543	0.3
67.05492	1.3
69.07085	0.6
71.53458	0.4
79.05482	0.9
81.03407	0.8
81.07054	2.3
83.04962	0.3
83.08657	0.5
86.19515	0.3
91.05493	2.1
93.07054	1.7
95.04942	0.3
95.08614	0.8
97.06515	0.4
105.07035	1.2
107.04939	0.5
107.08582	0.7
109.06538	0.7
109.10139	0.5
112.57994	0.3
117.07028	0.4
119.08609	0.8
121.10143	0.4
127.03808	0.4
131.08589	0.8
133.06509	0.4
133.10182	0.7
145.10158	0.8
147.11687	0.4
149.09628	0.4
151.11134	0.3
157.10265	0.4
159.11713	0.5
180.08359	0.3
244.46852	0.4
273.18634	0.5
275.20120	0.7
291.19696	0.4
342.16150	0.5
377.17807	0.7
379.19308	0.8
389.18146	0.3
390.18771	0.3
391.19278	1.4
393.20776	1.4
403.19461	0.5
405.17117	1.6
405.20963	1.2
406.17987	1.0
406.22363	0.6
407.17792	0.6
407.22745	4.3
408.23288	0.6
418.17731	1.5
419.18475	3.8
420.19540	1.2
421.20206	2.9
422.20990	0.4
423.22189	0.6
431.18820	0.4
433.20215	11.8
433.25409	0.6
434.21158	4.9
435.22076	5.5
436.22589	1.0
446.21191	0.6
447.21869	1.4
449.19604	5.4
450.20322	0.7
451.21274	0.4
461.19406	1.0
462.20499	0.6
463.22021	2.1
464.22141	1.2
465.22968	1.4
466.23624	0.5
475.21539	0.6
477.18634	0.5
478.20035	0.6
479.20181	1.8
491.21011	1.2
492.21497	4.0
493.22195	5.3
505.22205	2.3
506.23380	0.6
507.24155	0.7
519.24078	1.0
520.24786	1.1
521.25702	8.3
523.27106	0.5
524.24005	0.5
535.23926	0.5
537.20776	0.8
547.23181	0.5
548.24487	0.4
549.25226	0.5
550.25067	0.5
551.26349	1.0
553.30353	0.5
561.24677	0.4
565.24652	1.1
579.26105	21.5
580.26740	1.5
581.27905	2.5
597.26581	0.4
607.25842	0.7
611.29150	0.4
621.27039	0.7
621.41846	0.4
639.28204	100.0
639.40454	10.2
640.28528	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	639.2813
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
52.18173	0.2
53.03942	0.3
55.01876	0.3
55.05505	0.6
67.05516	1.4
69.07072	0.8
79.05490	1.2
81.03413	0.5
81.07062	1.5
83.04996	0.2
83.08628	0.4
91.05471	1.2
93.07035	1.1
95.04984	0.5
95.08614	0.5
97.02901	0.2
97.06567	0.3
97.10163	0.2
105.07034	1.1
107.04964	0.4
107.08594	0.6
109.06517	0.2
109.10161	0.6
117.07045	0.7
119.08590	0.9
121.10214	0.2
124.77868	0.2
125.09666	0.3
129.07005	0.2
131.08597	0.6
133.10159	0.6
135.08099	0.3
145.10185	0.6
146.05956	0.2
147.11705	0.4
149.09668	0.3
159.11723	0.4
163.11153	0.2
171.11633	0.2
172.03937	0.4
195.58861	0.2
204.06680	0.3
225.10220	0.4
237.10286	0.3
239.11871	0.4
240.12448	0.3
249.10367	0.3
251.11781	0.4
265.09851	0.2
273.18417	0.3
275.20337	0.4
277.09656	0.3
282.14209	0.2
291.19708	0.7
304.42758	0.2
311.13959	0.5
312.14944	0.2
314.12955	0.4
315.13904	0.3
326.13101	0.4
340.14590	0.3
356.17758	0.3
377.17828	0.3
379.19305	0.3
391.15305	0.4
392.16351	0.6
393.17197	0.8
393.21292	0.5
404.17194	0.2
405.17288	0.8
406.18085	0.8
407.18533	1.9
409.20187	0.4
417.16824	0.3
418.17963	0.3
419.14334	0.5
419.18695	0.9
420.15359	0.4
420.19754	0.8
421.20502	4.6
422.21295	1.5
423.21826	0.7
430.17606	0.3
431.18845	0.5
432.19424	0.7
433.16086	0.7
433.20380	1.3
434.17459	1.3
435.17300	2.3
436.22867	1.9
443.18246	0.3
444.19778	0.3
445.16589	0.8
446.17535	0.3
447.17111	0.4
447.21921	1.0
448.18555	2.2
449.19724	8.6
450.20416	2.1
451.21274	0.4
459.17493	1.2
460.18909	0.5
461.20029	1.2
462.20728	1.0
463.21716	4.7
464.22150	4.5
465.23590	1.0
473.19794	0.8
474.20557	0.9
475.21475	1.8
476.18753	0.3
477.18887	5.3
478.19824	2.2
479.20871	1.2
481.22595	0.3
489.19104	0.4
491.20734	1.3
492.21298	1.1
493.22641	1.0
495.24139	0.4
503.20944	0.3
505.22290	0.7
507.24692	1.3
509.21674	0.3
518.23712	0.3
519.24225	0.5
520.24500	0.3
521.21967	0.8
523.23029	2.3
524.24316	0.3
533.21191	1.1
535.23621	3.0
536.24371	1.5
537.22083	1.6
547.23486	0.4
549.21747	0.6
550.26019	1.1
551.26709	2.9
561.24963	3.4
562.25183	0.4
563.23035	0.7
564.23730	4.6
565.24451	1.7
567.25769	0.4
578.25494	0.4
579.26025	6.1
580.26477	0.3
581.24091	0.8
589.23639	0.3
592.23486	0.6
595.25488	2.5
596.26416	1.1
607.25562	0.7
610.27594	0.9
611.28400	0.6
621.27008	2.7
622.26221	0.3
624.25800	4.6
639.28113	100.0
640.28241	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	637.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.2
53.03945	7.2
55.01883	7.2
55.05513	17.8
57.03440	12.7
57.07083	1.8
57.73342	1.2
58.57945	1.1
65.03934	5.1
67.05508	67.7
69.03433	15.6
69.07072	16.7
70.11785	1.9
70.12158	4.8
71.04991	6.6
73.02913	1.5
77.03918	1.2
79.05499	62.5
81.03426	38.1
81.07061	67.7
83.04988	19.1
83.08621	13.8
85.02902	12.0
85.06577	2.7
91.04907	1.9
91.05486	54.4
93.07049	70.0
95.04970	19.7
95.08609	28.2
97.02901	9.3
97.06552	8.8
97.10181	3.2
99.04459	4.5
99.08086	1.9
103.05417	2.1
103.54858	1.2
105.07039	33.5
107.04951	8.7
107.08599	29.0
109.02864	4.7
109.06508	6.9
109.10155	7.0
111.04440	2.6
111.08071	5.5
113.09647	1.5
115.03928	1.6
115.05445	3.2
117.07019	19.3
119.08592	19.1
121.06506	5.8
121.10154	13.1
123.04417	1.9
123.08057	4.8
123.11703	2.6
125.06009	1.4
125.09641	2.0
127.03925	6.1
127.07557	1.3
128.06248	4.8
129.05499	3.3
129.07004	18.0
131.04947	2.3
131.08582	15.4
133.06487	4.8
133.10153	11.5
135.08063	4.3
135.11720	6.9
137.09592	1.8
137.75092	1.2
139.11198	1.7
141.07019	2.1
143.08580	10.0
145.06502	3.5
145.10118	8.8
147.08076	4.2
147.11702	20.3
149.06036	1.6
149.09599	1.3
149.13277	15.2
151.11220	2.0
153.06964	1.2
155.08554	3.3
157.06499	2.8
157.10112	3.9
159.08017	3.2
159.11691	12.5
161.09639	3.8
161.13345	6.6
163.11162	1.3
165.12726	1.3
167.08640	2.1
169.10156	1.9
171.08054	3.7
171.10289	1.7
171.11711	18.0
173.04457	4.6
173.09627	2.0
173.13245	2.2
175.11211	1.8
175.14789	1.3
177.12767	5.9
181.10074	1.2
183.08121	1.3
185.09656	1.9
185.13264	1.8
187.11168	1.3
189.12740	7.2
195.13780	9.7
199.11241	1.3
199.14801	1.4
201.12918	1.1
203.14386	1.4
207.13805	18.0
223.14798	2.7
231.13960	1.2
233.15442	1.7
235.27614	1.4
241.15930	4.1
251.14195	1.9
257.15085	1.6
259.16980	2.6
259.87408	1.2
263.16486	1.4
267.15976	2.0
269.15268	4.4
269.17603	29.4
273.14420	1.3
275.16428	1.6
281.17487	27.9
287.16425	8.7
293.17587	1.3
297.17102	1.8
305.17450	2.3
315.15872	1.9
335.18454	1.3
339.08560	1.6
339.18149	2.5
351.17905	2.0
361.20322	1.3
407.20627	2.0
413.21735	10.3
425.21588	5.3
457.29648	1.9
475.30579	100.0
476.30835	2.0
489.31873	3.4
499.30237	1.6
517.31293	1.3
527.33868	2.0
537.31653	1.4
555.33032	6.3
595.24274	1.4
601.34290	2.4
619.34833	20.4
637.35120	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	637.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12357	0.6
51.79172	0.6
55.05507	0.8
67.05499	1.5
67.14820	0.6
69.76945	3.9
73.23955	0.6
81.07058	0.8
93.07068	1.2
95.08590	1.0
105.70078	0.6
109.10204	0.8
125.84518	0.8
211.08711	0.7
223.12396	2.2
224.13124	1.1
225.13963	1.2
237.10231	0.9
237.13823	1.5
265.13345	0.8
271.10876	0.9
403.19473	0.8
405.20770	1.0
419.18707	1.8
431.18219	0.9
432.19360	1.4
433.20102	3.1
447.17426	1.2
447.22751	1.0
448.22971	0.9
459.21838	2.6
460.18604	1.1
461.19846	2.2
465.35117	0.8
475.21161	4.6
476.22137	10.1
489.22751	1.4
493.10736	0.7
505.80899	0.7
521.23358	0.7
525.41083	1.5
533.21753	0.9
535.23340	0.9
545.25226	1.0
547.23785	3.1
549.25189	1.0
562.25775	9.8
563.26202	3.5
577.27734	4.7
579.26147	1.2
605.26898	0.8
617.61975	0.8
622.27612	2.5
637.30225	100.0
638.30560	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	637.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.0
55.01873	8.0
55.05513	25.0
56.76979	1.9
57.03431	9.5
61.02910	2.2
65.03947	4.6
67.05507	72.3
69.03436	17.2
69.07059	12.8
71.04340	2.0
71.04607	3.7
71.04996	55.9
75.40962	2.0
78.43359	1.8
79.05495	48.3
81.03418	100.0
81.07059	96.5
82.03793	1.9
83.04992	18.9
83.08614	19.4
85.02901	15.1
85.06548	10.0
91.05482	67.1
92.96182	2.0
93.07053	36.8
95.04967	45.7
95.08617	24.8
97.02882	20.6
97.06532	14.4
97.10185	8.1
99.00823	1.9
99.04496	6.2
99.08101	3.0
103.03977	2.1
103.05503	3.8
105.07029	43.6
105.07690	3.0
107.04950	13.7
107.08589	23.0
109.02888	24.8
109.06541	8.8
109.10149	11.0
111.04456	10.0
111.08102	8.4
114.78194	1.9
115.05473	6.3
117.07025	17.5
119.04954	4.3
119.08594	20.1
121.02881	4.3
121.06491	13.7
121.10133	12.4
123.04467	8.3
123.08077	3.9
123.11697	14.2
125.02406	2.8
125.09646	6.4
127.03905	10.7
128.06226	4.6
129.05533	2.6
129.07019	19.8
131.04985	7.2
131.08578	20.3
133.06526	8.1
133.10144	31.9
135.04456	3.6
135.08087	5.9
135.11734	8.3
137.09613	4.3
139.03995	2.5
141.06996	3.9
142.07819	3.7
143.08577	5.8
145.06509	9.5
145.10156	8.9
147.04430	8.6
147.08076	7.7
147.11725	17.8
149.06046	5.8
149.09578	9.2
149.13220	10.0
151.11182	9.8
155.08592	4.9
157.06448	3.8
157.10129	13.6
159.08096	5.4
159.11734	7.7
161.06041	6.3
161.09680	6.7
161.13303	2.2
163.11247	7.2
165.12775	3.5
167.08607	3.4
171.08078	3.6
171.11736	4.8
173.04510	7.5
173.05928	4.2
173.09647	3.3
175.07565	3.2
175.11241	7.2
177.12813	7.2
183.12018	2.0
183.13864	6.2
185.13275	3.3
187.07593	4.4
187.13379	8.4
189.05490	6.0
189.12778	4.0
191.14340	2.2
193.12233	18.1
195.13892	7.3
199.11217	2.6
201.14949	3.6
211.13242	10.0
211.28120	2.1
213.12750	3.8
213.95052	1.9
217.12346	2.5
225.14903	2.6
227.12668	2.5
235.13345	6.1
237.12817	2.2
243.16031	5.6
249.14967	5.7
257.17593	5.4
267.08987	2.4
267.16019	5.2
269.17633	8.3
273.14871	17.7
273.17688	2.1
277.14481	2.6
281.17548	4.5
283.13275	4.8
285.09991	2.9
289.14487	3.5
291.16016	2.3
299.18558	2.9
299.93268	1.9
301.14435	25.2
301.20279	6.5
303.15961	4.5
319.15329	9.7
339.18152	4.8
357.17130	2.1
365.17072	2.3
375.18158	10.7
393.19125	4.7
427.23404	3.0
435.27615	6.7
449.29449	4.6
452.33801	2.5
461.28979	4.9
467.29639	2.9
475.31091	3.2
491.30505	3.3
493.31934	2.6
511.32632	6.2
543.29694	9.6
561.30652	6.8
569.31543	10.8
575.32532	2.8
587.31915	11.7
589.33923	6.4
593.33429	2.2
601.33887	12.3
605.33398	17.5
619.34918	16.1
637.35840	73.9
640.17914	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	637.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
64.58229	0.8
67.05510	1.0
69.85529	1.7
69.85902	4.2
74.47508	0.8
135.11853	1.0
199.82761	0.9
391.19534	1.7
392.20221	1.2
402.18423	1.1
403.20087	0.9
404.21017	1.0
405.20978	4.7
406.21548	5.3
413.17581	2.0
414.18802	2.6
415.19043	3.8
417.20709	1.3
419.22699	2.3
420.22977	4.2
421.23990	7.8
427.19220	1.9
428.19962	2.0
429.21051	11.0
430.22235	1.7
431.22977	1.1
433.19812	1.9
433.24759	1.2
443.22501	6.7
444.23166	2.6
445.20233	2.8
447.17990	1.7
457.24890	3.8
458.25189	4.7
459.21918	7.7
460.22531	4.2
461.19412	8.3
472.22644	5.9
473.18536	1.1
473.24155	2.2
475.21469	2.8
476.22101	4.4
485.23514	11.8
486.19794	1.3
486.24509	3.0
487.20837	1.5
488.22058	5.1
499.21786	1.1
500.22693	1.6
503.24588	19.4
513.23114	3.1
514.23975	1.1
517.26154	7.4
529.26215	2.6
535.27106	24.4
545.25549	63.9
546.25842	1.6
563.26263	5.1
573.25079	17.8
605.27649	61.6
606.27753	1.1
637.30267	100.0
638.30383	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
98.21640	0.7
123.17673	0.3
167.89902	0.3
221.10774	0.3
339.98969	0.3
357.69748	0.3
363.17160	0.3
389.17468	0.3
401.17746	0.7
402.18484	0.8
403.19223	1.0
404.20172	0.4
405.20694	0.6
406.21689	0.3
415.19348	1.2
416.20535	0.3
417.21317	2.1
418.21909	0.5
419.22531	1.4
420.23337	0.7
428.15845	0.4
429.17200	1.0
430.17142	1.4
431.17880	2.6
431.23566	0.7
432.18622	0.5
432.23505	1.0
433.20453	0.7
443.18323	1.8
444.19034	2.1
445.20065	7.6
446.21182	2.4
447.21930	1.0
457.20343	0.6
458.21060	6.6
459.21671	5.2
459.27237	0.3
460.22919	5.4
461.19373	3.3
462.20407	0.5
472.22842	0.6
473.23514	0.8
475.21637	1.7
476.22119	1.7
477.22723	1.9
487.25262	0.6
489.22934	0.4
490.23660	0.5
491.24542	1.3
503.20529	0.8
503.25473	0.3
504.25262	0.9
505.22104	0.6
517.21680	1.5
518.22998	4.9
530.23401	0.5
531.24091	0.8
532.25043	0.5
533.25562	2.3
535.23315	1.3
545.25793	2.7
546.26514	2.3
549.25720	0.9
560.24323	0.7
562.26227	0.4
573.25024	1.3
577.28351	2.9
590.25085	0.5
592.27252	0.6
605.27655	15.8
606.28491	0.8
637.30237	100.0
638.30463	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	637.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29762	0.3
53.43399	0.3
58.95792	0.3
70.71997	0.5
81.14251	0.3
147.02890	0.3
168.08058	0.4
207.57393	0.3
209.27679	0.3
235.12300	0.4
249.20456	0.3
311.14645	0.3
326.12714	0.4
363.16232	0.6
372.14172	0.5
374.16370	0.5
375.16885	0.4
376.17645	0.4
377.17587	1.1
378.18393	0.8
386.15570	1.1
387.16211	0.6
389.18283	0.7
390.18643	0.7
391.19138	1.3
392.19965	1.3
393.20660	2.2
398.16318	0.6
399.16214	1.7
400.16910	2.1
401.17737	3.3
402.18298	0.5
403.19757	0.4
405.20999	0.6
406.21664	0.5
407.22272	2.6
411.16263	0.7
412.17596	0.6
413.17844	2.6
414.18616	4.2
415.19318	8.5
416.20453	0.9
417.16492	0.5
417.21008	1.0
419.18588	1.3
421.20041	2.7
425.17966	0.8
427.19946	1.6
428.20337	3.1
429.15869	0.6
429.21274	7.4
430.22125	1.8
431.18079	0.7
435.21790	1.4
436.22546	0.4
438.18149	0.4
439.19183	0.9
441.17151	1.4
442.17590	2.0
443.18332	3.7
443.22672	3.3
444.18652	4.4
445.20364	2.3
447.17987	0.9
449.24014	0.4
455.18665	1.2
456.19617	1.5
457.20599	4.8
458.21310	3.4
459.22519	0.6
461.19562	0.5
463.21152	0.5
464.91568	0.4
469.16666	1.1
470.17010	0.6
471.22299	6.7
472.23132	4.3
473.19632	4.6
474.20453	1.4
483.17825	0.8
484.19070	0.8
485.19803	2.5
486.14395	0.4
486.20587	4.8
487.21173	2.1
488.22025	1.0
489.23550	1.6
490.19443	2.3
499.21402	9.6
500.22702	2.8
502.19922	0.7
503.25031	3.1
513.19281	1.1
514.20062	0.9
516.21716	1.2
517.22552	2.9
521.25598	0.7
527.20941	2.9
528.21613	1.2
531.23956	11.2
543.23993	1.5
544.21051	0.6
545.21875	0.4
549.25024	1.2
559.23413	83.5
560.23627	1.8
577.23663	0.4
587.22888	14.1
591.26147	0.5
605.23834	0.6
605.33484	0.4
619.25507	100.0
620.25659	1.8
637.26526	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	637.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.8
67.05499	2.2
71.12874	1.5
75.49508	0.7
91.05515	0.8
95.05020	0.9
95.08627	1.1
109.10148	1.0
113.24979	0.7
120.98432	0.7
121.10149	0.9
164.62759	0.7
186.81322	0.7
267.15799	0.8
289.17856	0.7
375.16660	1.1
377.17920	1.9
378.18311	1.0
387.16217	1.3
389.18243	1.3
390.18716	0.8
391.19348	3.7
392.19824	1.8
393.20700	3.1
399.16110	2.2
400.17038	1.8
401.17767	3.7
402.19046	0.9
403.19501	1.1
405.21225	1.1
406.21710	0.9
407.22418	6.0
412.17276	1.1
413.17758	2.7
414.18454	3.1
415.19336	7.4
416.20380	0.8
417.21124	1.0
419.18771	1.4
421.20020	4.9
427.19501	1.3
428.20059	2.2
429.21426	5.6
430.21671	1.4
431.18665	2.0
433.20462	1.4
435.21848	4.5
436.22458	1.1
439.19354	0.9
443.18106	2.3
443.22787	2.8
444.19611	3.0
444.24496	1.0
445.20392	3.4
447.18286	3.1
456.20071	0.9
457.20905	3.5
458.21246	3.0
459.18140	1.9
461.19858	2.7
463.20544	1.0
470.17026	0.9
471.22717	4.9
472.23276	4.0
473.19556	4.7
474.20499	2.4
483.48822	0.9
484.19083	1.1
485.20023	3.3
486.20465	5.3
487.21216	2.8
489.18713	1.5
489.23343	1.2
490.19534	4.2
491.20691	1.5
499.21426	8.9
500.22144	1.6
501.22980	1.4
502.20035	1.1
503.19986	1.3
503.25308	1.2
513.19043	5.6
517.22388	15.0
521.25793	1.1
527.21027	2.7
528.22015	1.2
529.22583	1.1
531.24713	9.8
539.39911	0.8
543.23761	1.6
545.21454	1.0
549.25085	6.8
555.20160	0.9
559.23438	60.5
560.24017	1.1
577.24463	1.7
587.22882	13.2
591.26178	2.7
605.23950	6.2
619.25513	57.2
620.25830	1.3
637.26587	100.0
638.26819	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	636.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01865	1.2
55.05513	9.1
57.02354	0.6
57.03191	0.9
57.03440	9.3
57.07068	1.0
59.04994	2.3
61.02929	3.8
65.03938	1.3
67.05507	57.9
67.42851	0.6
69.03439	2.5
69.07072	3.5
69.42743	3.9
71.04999	3.3
73.02905	0.8
77.23246	0.5
79.05070	0.8
79.05498	10.2
79.85641	0.5
81.03423	32.0
81.06592	1.0
81.07062	17.5
83.04984	6.2
83.08152	0.8
83.08624	13.4
85.02910	12.8
85.06543	2.0
87.04489	1.0
91.03971	1.6
91.05484	14.9
93.07055	7.8
94.82175	0.6
95.04974	12.5
95.08619	6.1
97.02889	3.7
97.06525	1.3
97.10175	1.7
99.04473	0.8
99.08088	1.7
102.24534	0.6
105.07033	8.8
107.04963	2.9
107.08588	4.1
109.06535	2.0
109.10163	49.9
111.04444	1.5
111.08082	6.3
113.05999	1.7
117.07047	0.7
119.08585	10.4
121.06534	1.1
121.10159	3.4
123.08064	1.2
123.11681	1.2
125.09641	0.7
127.03921	1.0
129.07021	5.4
131.08566	4.5
133.06506	1.7
133.08606	0.9
133.10144	4.7
137.09621	3.1
141.09157	0.6
142.07771	1.5
145.10193	0.8
147.08058	1.8
147.11711	6.9
149.09641	1.9
151.11159	0.7
155.10670	5.8
157.10130	6.4
163.11259	0.8
165.12798	1.9
173.11732	13.0
173.13176	0.7
175.11189	7.3
190.96834	0.5
193.12256	22.3
201.41896	0.5
211.13298	34.0
229.14366	55.9
267.15909	13.0
267.18610	0.9
280.02679	0.6
285.16974	31.9
362.16910	0.6
403.24762	1.1
409.95444	0.5
421.25891	14.7
439.26923	100.0
440.27194	1.6
512.73907	0.6
583.31213	0.9
609.33295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2864
Annotation	Shizukaol M
Peak:m/z	Relative Intensity
58.85431	0.3
61.69917	0.3
71.93430	0.3
81.07064	0.6
91.05453	0.5
98.20698	0.5
99.80398	0.4
104.61713	0.4
106.96491	0.3
111.34406	0.4
123.26350	0.4
142.21858	0.4
229.74910	0.5
357.17670	0.4
389.17697	1.2
390.18811	0.5
401.17703	1.0
402.18344	1.0
403.19357	3.2
404.20081	1.3
405.20895	1.6
415.15472	1.5
416.15878	0.9
416.20816	0.9
417.16827	2.2
417.21744	3.3
418.21704	1.5
419.22327	4.0
429.17181	1.7
430.17673	3.5
431.17972	7.1
431.23624	0.9
432.18918	1.1
432.23285	1.9
433.24268	4.5
443.18851	1.5
444.19110	2.7
445.20145	13.4
446.20847	3.7
447.21951	3.6
457.20187	1.0
458.21198	1.1
459.21881	8.6
460.22607	11.4
461.23544	7.8
464.66965	0.4
472.23050	0.7
473.24051	1.9
477.23029	0.8
487.25861	0.7
489.22723	1.4
491.24478	0.8
501.22659	0.5
505.21753	3.0
510.64996	0.5
511.22183	0.4
517.22394	2.0
519.23334	3.9
531.24066	2.9
532.25067	0.6
533.25726	0.5
537.38403	0.4
546.26147	2.4
547.27081	20.8
575.26868	1.1
577.24457	2.7
579.29431	0.6
591.26227	3.6
605.27673	1.1
606.28455	13.8
607.29175	24.2
608.29614	0.7
617.26440	0.4
635.28656	100.0
636.29230	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	3.1
53.03952	12.8
55.01872	9.3
55.05513	30.6
57.03437	9.9
61.02919	1.6
63.05939	1.4
63.68306	1.5
65.03931	6.0
67.05505	56.0
69.03431	26.2
69.07072	13.5
71.05003	8.1
77.03945	1.8
79.05495	73.2
81.03421	100.0
81.07059	54.9
83.04983	28.9
83.08618	18.2
85.02916	16.3
85.06531	4.5
91.05484	79.1
93.07047	60.7
93.07642	3.2
95.01378	1.4
95.04969	34.6
95.08607	28.4
97.02898	18.3
97.06511	7.6
97.10158	7.1
99.04449	6.7
99.08067	2.0
102.72041	1.5
103.05454	2.5
105.04513	4.1
105.07035	54.1
107.04965	16.5
107.08596	20.0
109.02882	15.1
109.06539	11.9
109.10142	7.3
111.04456	12.8
111.08035	8.4
111.35487	1.5
115.05474	3.0
117.07027	16.2
119.04955	1.7
119.08582	37.0
121.06484	8.1
121.10138	10.1
123.04422	3.2
123.08057	6.5
123.11712	3.1
125.05997	2.7
125.09622	2.9
127.03933	9.9
128.06235	5.5
129.07004	25.7
131.08562	19.2
133.06482	6.5
133.10130	16.9
135.08064	4.1
135.11717	4.7
137.09636	3.2
141.07002	4.9
142.07765	2.2
143.08571	11.4
145.06506	5.1
145.10159	14.1
147.04459	2.0
147.08078	9.2
147.11703	34.7
149.06001	2.0
149.09628	6.0
153.12741	4.4
155.08582	5.3
157.06548	2.0
157.10170	11.1
159.07985	3.4
159.11678	3.0
161.09563	3.1
161.13191	8.0
163.11163	7.0
165.07079	1.8
165.12753	3.5
167.08583	2.3
169.10175	3.4
171.08119	3.8
171.11702	25.7
173.04457	8.4
173.09634	3.2
173.13300	2.8
175.11182	10.9
175.42114	1.5
181.10194	2.9
181.12244	3.2
183.08115	2.0
183.11743	2.5
187.11211	1.6
189.11313	1.8
189.12750	9.0
191.10724	4.1
193.12270	26.2
195.11720	1.7
207.13806	26.1
211.13287	32.8
211.15271	1.8
217.12234	1.9
225.14949	4.0
227.12727	4.4
237.12794	2.5
245.15456	1.8
255.13934	2.2
257.15320	1.6
267.15891	13.5
269.15524	3.3
273.14835	3.5
274.27448	1.7
279.16046	1.9
281.17490	25.0
283.15332	2.2
285.17035	4.4
287.16492	6.4
315.16217	3.4
337.16464	4.0
343.19205	1.5
351.18259	3.8
355.17535	7.6
381.24585	1.7
389.19711	3.1
407.20386	2.7
411.20157	8.6
428.25784	1.7
455.28098	2.1
473.29031	21.6
474.28851	2.3
479.27893	1.8
485.26871	1.5
491.30093	12.4
497.29404	2.0
515.29858	2.6
553.31482	2.9
557.30359	2.0
571.32532	4.3
599.32294	3.1
617.33264	11.0
635.34296	87.0
636.34497	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	634.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49641	0.8
53.03952	1.1
55.05507	1.4
57.07080	22.7
59.05021	1.1
59.32951	0.8
60.60000	0.8
67.05497	1.2
69.03443	1.2
69.07045	1.8
71.08637	44.4
73.06547	2.5
79.05478	1.0
81.07043	0.9
85.09668	0.8
85.10187	24.7
87.04475	19.2
89.06039	100.0
91.05489	12.1
93.07053	6.3
95.04967	1.0
98.21537	2.0
103.05496	1.1
105.07031	5.1
107.04951	3.2
107.07103	1.8
107.08606	2.7
109.10163	1.2
117.07027	1.3
117.09158	1.2
119.04945	3.6
119.08578	4.9
121.06521	22.1
121.10154	1.5
123.08065	1.1
127.14775	2.0
130.08655	2.3
131.07062	7.0
131.08600	3.0
132.09236	0.8
133.08614	68.2
135.08070	3.8
135.11720	1.4
136.05208	1.8
145.10126	1.7
147.08060	9.8
149.09659	5.3
149.13287	1.5
150.06786	1.4
159.11664	1.3
163.11183	3.5
164.08389	1.7
165.09102	8.4
167.10722	2.1
173.08026	0.8
173.09595	1.0
173.61250	0.9
175.09691	5.3
175.11133	1.8
177.11243	28.7
177.12660	1.3
191.10654	3.7
191.14346	1.1
193.12288	2.0
209.11757	5.1
211.13290	3.0
219.12274	1.2
221.13841	6.1
229.40260	1.3
235.13313	3.4
247.20590	16.9
253.14346	0.9
255.15982	2.8
265.16458	2.4
271.15277	1.1
273.22214	4.4
279.15988	2.1
283.17487	1.9
289.22128	1.0
289.25327	1.3
291.19946	1.6
291.23193	32.3
299.18622	1.5
309.19150	1.7
317.24826	3.0
323.18567	0.9
335.25836	11.5
359.20541	1.7
366.07019	0.8
367.20319	1.0
403.23270	1.2
410.12875	0.8
447.25848	1.5
491.28754	6.6
529.37292	1.7
573.39978	2.1
617.42688	20.6
634.45923	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	635.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83486	0.2
52.57743	0.2
55.05490	0.3
57.07042	0.4
60.32265	0.2
64.69437	0.2
67.05471	0.4
69.07043	0.3
69.94904	0.7
70.52596	0.1
71.08585	0.3
78.44682	0.1
78.63958	0.2
79.05440	0.5
79.48768	0.2
81.03368	0.3
81.07047	0.8
83.08573	0.4
85.10124	0.3
91.05466	0.3
93.06995	0.4
95.04973	0.2
95.08558	0.4
105.07010	0.2
107.08540	0.3
109.10149	0.3
112.69641	0.2
113.00013	0.2
117.08264	0.2
119.08574	0.3
133.10158	0.3
145.22667	0.2
157.10060	0.2
182.61047	0.2
193.12198	0.2
196.09988	0.2
207.09116	0.2
209.10770	0.5
210.11417	0.3
211.12166	0.2
217.61397	0.2
221.10588	0.3
222.11475	0.2
223.12274	0.6
224.12964	0.5
225.10223	0.4
225.13824	0.3
233.10748	0.2
234.11464	0.2
235.12299	0.6
236.13120	0.2
237.13753	0.5
247.12286	0.2
248.13116	0.2
249.10201	0.3
249.13898	0.4
251.11908	0.2
263.11813	0.2
264.12375	0.2
277.13409	0.3
286.13565	0.2
298.13235	0.2
300.14914	0.2
300.57965	0.2
303.14630	0.2
313.27570	0.2
314.16815	0.2
326.16354	0.2
336.14935	0.2
350.16562	0.2
369.14734	0.2
378.63382	0.2
387.16299	0.6
389.17795	0.9
390.18637	0.4
391.19165	0.4
401.18051	0.8
402.18332	1.1
403.19238	2.4
404.20132	1.0
405.20871	1.2
414.15036	0.2
415.19836	1.0
416.15988	0.6
416.20929	0.9
417.16696	0.9
417.21341	3.7
418.22076	1.5
419.22638	1.3
427.19083	0.3
428.20682	0.2
429.16953	0.5
429.21487	0.4
430.17221	1.6
430.22992	0.3
431.18103	5.9
431.23602	0.5
432.18582	1.6
432.24161	0.4
433.18417	0.2
433.24304	3.0
443.17725	0.9
443.23590	0.3
444.18997	1.3
445.19974	7.0
446.20947	2.8
447.22043	1.1
455.18610	0.2
457.20139	0.6
458.21039	0.6
459.17450	1.5
459.23029	2.8
460.22849	3.0
461.23721	3.7
471.21515	0.6
472.22754	0.3
473.19751	1.5
473.24252	0.6
474.19937	0.4
475.21075	1.1
476.21674	0.2
477.22992	0.6
487.20157	1.1
487.25986	0.4
488.22006	3.0
489.22916	6.2
490.23767	0.4
491.19751	0.3
491.25253	0.4
492.25195	0.2
501.23087	1.3
503.24738	0.3
504.25046	0.6
505.22205	0.5
505.38797	0.5
515.24677	1.3
517.22388	0.7
518.23077	0.8
519.22919	0.8
519.27008	0.9
520.24957	0.2
523.40088	1.6
531.24243	0.3
532.25000	1.1
533.22711	0.7
543.23694	0.6
546.22626	0.5
547.27466	8.3
547.57080	0.2
557.25446	0.3
560.24359	0.3
561.25098	0.2
575.26520	22.6
576.26855	0.5
578.25342	0.4
603.26007	0.5
606.24585	0.2
607.29175	1.6
635.28601	100.0
636.28784	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.0
57.07079	26.4
57.46220	0.5
58.17269	0.4
59.05016	0.6
61.06765	0.6
67.05494	1.3
69.03438	0.5
69.07064	4.3
71.08636	43.6
73.02924	0.8
73.06561	9.2
79.05485	0.7
81.07066	1.0
83.08640	1.1
87.04472	8.2
89.06036	100.0
91.05495	0.9
91.07608	0.8
96.08994	0.5
98.99349	0.5
103.62714	0.5
105.07051	0.8
107.07111	2.0
109.10184	1.2
113.13289	5.7
117.09133	8.7
126.73288	0.5
130.08678	2.8
131.07080	2.7
133.08611	51.1
135.10185	0.9
157.15887	8.0
161.11743	2.1
170.40393	0.5
175.09720	1.3
177.11240	21.6
179.12805	0.9
198.18616	1.8
201.18521	13.7
219.12291	0.6
221.13823	4.9
221.15456	0.5
223.15459	0.5
239.14920	0.6
245.21155	9.4
252.78815	0.5
265.16537	1.4
283.17593	1.3
309.19034	1.3
327.20441	1.0
343.22464	0.6
351.27228	0.5
353.21497	0.6
386.46405	0.5
399.71466	0.5
459.27829	0.8
503.30649	1.7
517.57056	0.5
571.40411	0.7
615.43188	7.2
632.46704	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	629.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.2
57.03423	1.0
58.09109	0.9
67.05491	3.9
69.07070	1.1
79.05479	3.3
81.07050	4.0
82.07417	1.1
83.08698	1.2
91.05500	2.1
93.07056	3.1
95.08610	2.5
105.07072	2.2
107.08600	2.2
109.10169	1.5
117.07045	1.2
119.08584	2.7
121.10126	1.8
131.08562	1.2
133.10146	1.1
135.11786	1.1
145.10065	1.0
230.39862	0.9
349.92319	1.0
410.13745	1.3
411.14578	1.0
424.15805	1.1
425.16122	5.5
426.17136	3.7
427.17929	3.2
437.16476	1.6
438.17300	1.6
439.18011	10.3
440.18573	7.3
441.19220	1.2
442.20026	1.2
452.14774	3.7
453.15472	31.8
454.15216	1.5
454.20074	3.3
455.20819	40.1
456.20810	2.1
466.16498	1.7
467.17044	32.9
468.17609	11.3
481.18481	7.0
482.19263	31.7
483.20010	2.7
494.18384	1.6
495.20898	1.6
513.21295	1.3
514.21503	1.2
525.22821	2.5
528.23627	3.7
531.38782	1.1
541.24359	5.4
553.13995	1.9
553.22089	21.3
554.22284	1.8
569.24011	100.0
570.24432	3.5
597.22729	1.3
600.22443	1.6
601.26984	5.5
629.25903	94.2
630.26074	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	629.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07716	2.0
52.89781	2.4
53.03949	5.4
55.01869	6.8
55.05518	30.9
57.03447	11.4
57.07074	6.9
62.77174	2.2
65.03924	3.4
67.05510	70.0
67.14628	2.2
69.07081	26.9
70.00388	9.7
71.08636	40.1
75.18319	2.1
79.05071	4.0
79.05502	67.0
81.03418	6.9
81.06587	4.5
81.07066	80.7
82.07404	2.8
83.04978	8.8
83.08633	16.5
85.06550	7.1
86.11869	2.1
89.06033	3.7
91.04914	2.7
91.05489	50.2
91.06027	4.9
93.07049	80.7
95.04984	8.8
95.08617	56.0
97.06541	8.9
97.10172	6.2
98.21432	3.6
99.08106	29.6
105.07044	36.5
107.04953	10.2
107.08601	35.7
109.06536	2.8
109.10152	15.8
111.08075	2.8
117.07008	11.8
119.08591	27.5
121.06512	2.5
121.10159	35.3
123.08067	2.6
123.11722	8.5
125.09632	2.4
125.52661	2.6
129.07016	6.0
131.08580	20.1
133.10126	17.8
135.08031	3.6
135.11710	36.3
137.09633	3.2
143.08614	4.6
145.10164	9.6
147.11722	10.2
149.09634	3.1
149.13263	17.4
151.11176	13.6
157.10123	4.7
159.11670	8.6
161.13223	13.8
163.11186	4.3
163.14847	6.3
163.55521	2.4
171.11696	6.6
173.11867	3.1
173.13297	6.0
175.14894	5.4
177.12788	2.6
177.16437	3.6
179.14336	59.7
183.11629	2.9
185.13300	5.3
187.14885	2.5
193.12321	2.7
201.16380	2.8
201.98941	2.1
235.16919	3.0
243.21045	15.1
253.19644	2.6
259.20566	5.4
261.22198	11.7
275.20151	3.2
276.20474	3.4
277.21661	49.1
291.19559	4.3
295.22708	3.8
317.24734	6.6
335.25821	51.8
336.26270	3.9
337.26453	3.1
351.25330	42.9
391.92642	2.3
415.25500	2.8
439.35370	3.1
513.39734	4.1
515.37274	5.6
517.38824	5.2
531.40424	13.1
569.27332	3.1
611.46667	100.0
629.47650	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	629.2243
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
67.05585	0.8
69.95185	0.9
69.95577	1.3
79.05579	0.6
81.07148	0.5
98.21419	0.7
133.10236	0.5
260.33789	0.5
376.83447	0.6
396.12598	0.7
397.13254	2.3
398.14352	1.1
399.14871	0.9
400.15469	1.7
409.13260	0.6
410.13699	3.1
411.14523	7.9
412.15347	4.8
413.16263	4.8
423.14819	1.0
424.11047	1.1
424.16321	2.6
425.16373	14.7
426.17004	8.8
427.17737	3.2
428.18503	3.8
437.16562	1.2
438.12317	3.1
438.18045	1.2
439.13654	21.3
440.13150	0.9
440.19028	8.0
441.19351	39.8
442.19559	1.4
452.14417	4.1
453.15411	21.7
454.16095	6.5
455.16736	0.8
456.18127	1.6
457.14761	0.6
463.14059	0.9
465.15710	0.8
466.17319	1.0
467.17227	27.8
468.17990	19.4
469.18872	11.6
470.18961	0.5
471.16861	1.8
481.14670	10.4
482.16122	1.9
483.15948	0.6
484.21927	3.0
485.18503	2.0
486.19403	0.7
493.15121	0.6
495.16736	2.1
495.20703	0.6
496.17215	11.6
497.17749	1.6
498.19055	2.0
499.19971	0.9
500.20679	4.7
508.19339	0.9
509.18387	1.0
512.21094	4.0
513.21796	6.0
514.22461	0.7
523.19629	1.4
526.17865	0.8
528.19855	1.2
541.20923	39.8
542.21063	1.7
553.21130	1.2
568.19208	0.6
569.20343	100.0
570.20447	3.8
572.18781	0.9
573.23358	3.1
597.19733	29.7
598.20490	0.6
600.22266	1.8
601.22955	14.6
615.21655	0.7
629.22290	81.9
630.22498	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	628.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.8
55.01865	9.4
55.05512	42.6
57.03428	16.8
57.07076	5.9
67.05190	6.6
67.05513	91.9
68.02432	6.7
68.05830	8.2
69.07079	30.0
71.04977	16.2
71.53307	9.1
74.09713	8.4
77.03878	8.4
78.58983	5.8
79.05156	6.4
79.05497	78.0
80.31104	5.2
81.03419	44.5
81.07064	100.0
83.04971	9.0
83.08618	25.5
91.05502	72.2
93.07058	85.2
94.07369	6.8
95.04948	22.1
95.08613	54.0
97.06511	15.7
97.10165	21.2
98.61750	6.6
105.07037	58.9
107.04943	8.0
107.08610	39.1
109.06527	8.2
109.10163	32.4
111.08057	10.7
117.07010	30.4
119.08573	47.3
121.10148	37.1
123.08046	8.2
123.11688	9.9
125.09612	11.5
129.06976	20.6
131.08580	43.7
133.10130	34.7
135.08072	12.7
135.11671	10.7
142.07777	6.9
143.08559	16.3
145.10100	27.0
147.11664	22.8
149.09639	19.6
155.08595	11.4
157.10120	24.9
159.11673	21.5
161.13324	10.3
169.10130	7.9
171.10260	6.0
171.11653	14.5
173.13239	15.7
183.11684	11.4
185.13211	8.8
189.11252	6.8
195.11536	7.1
227.12802	14.6
259.20569	11.2
267.15826	23.3
275.20074	19.3
276.20377	12.0
299.23801	6.7
333.24313	11.6
350.23849	7.0
433.31110	15.3
451.32043	13.8
469.33069	13.2
507.34998	12.6
517.35376	12.7
525.35846	58.6
543.36835	85.6
557.38165	16.4
575.39484	35.1
610.45050	17.7
628.46191	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	628.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01873	1.2
55.05519	7.8
55.48819	0.8
57.07084	11.3
66.96380	0.8
67.05505	13.6
67.21695	0.9
69.07067	8.1
69.84489	4.4
71.08636	1.0
75.33275	0.9
79.05497	13.0
81.03416	7.5
81.06590	1.4
81.07059	24.5
83.04961	3.9
83.08627	4.9
85.06535	1.6
85.10188	33.7
89.06013	2.8
91.04973	1.4
91.05487	15.5
93.07052	12.9
94.07394	1.3
95.04957	6.0
95.08057	1.3
95.08611	14.6
97.06524	2.6
97.10163	3.4
98.20850	1.6
98.75031	0.8
99.08086	1.5
105.07033	10.1
107.04970	11.0
107.08603	7.0
109.06493	2.2
109.10159	5.2
111.08096	1.1
113.01434	0.9
113.09651	38.4
117.07041	2.0
119.08582	8.3
121.06509	1.8
121.10135	6.2
123.08076	3.0
123.11692	1.4
125.09607	1.7
127.99059	0.8
129.06984	2.7
131.08595	5.3
133.06419	1.0
133.08653	1.9
133.10120	4.7
135.08058	2.1
135.11716	2.5
137.09601	1.8
143.08556	2.5
145.09135	0.9
145.10115	4.5
147.08076	1.1
147.11694	9.0
149.09625	5.3
149.13239	6.8
151.11217	3.2
157.10138	2.1
159.11673	2.0
161.09528	1.2
161.13237	3.7
163.11192	8.9
165.12759	43.5
167.14291	1.3
171.11662	2.7
173.13332	1.0
175.11235	5.4
175.14766	1.7
179.14378	1.4
181.12282	1.4
185.13228	0.8
187.11319	1.3
191.14307	1.3
201.16411	1.0
207.13722	1.9
213.16447	1.4
231.21017	1.0
241.19487	1.7
253.19501	2.0
259.20587	7.1
271.20566	5.3
277.21637	71.5
278.21997	1.2
295.22690	100.0
299.20056	2.2
317.21039	6.5
628.45850	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.3
54.24438	1.8
55.01856	7.4
55.05518	34.2
55.99342	2.0
56.11994	1.9
57.03448	12.1
57.03666	2.0
57.07069	9.4
65.03918	3.3
67.05508	81.1
69.03406	3.4
69.07075	33.0
71.04987	5.8
71.08634	62.5
79.05496	66.9
81.03420	7.2
81.07063	93.5
83.04977	10.1
83.08630	21.0
85.06556	5.5
89.06013	2.2
91.04914	3.3
91.05485	78.0
93.07046	87.6
95.04464	2.2
95.04976	13.7
95.08614	64.1
97.06516	14.7
97.10162	9.3
99.08094	38.7
103.05418	2.8
105.04554	2.5
105.07037	64.4
107.04974	9.9
107.08598	47.7
109.06536	5.2
109.10169	22.5
111.08108	5.8
115.05479	2.8
117.07017	23.0
119.08585	48.8
119.09374	3.8
121.06542	3.2
121.10137	36.2
121.10927	3.0
123.08109	5.4
123.11723	4.0
125.09639	5.0
127.11266	2.8
128.06250	5.7
129.07024	18.1
131.08572	39.4
133.10127	38.8
135.08086	5.2
135.11699	30.4
137.09633	6.3
141.06982	4.6
141.09091	2.8
142.07793	3.0
143.08556	24.7
145.10130	36.8
147.11688	28.8
149.09639	7.5
149.13275	15.6
151.11177	15.9
155.08614	9.9
157.10138	23.1
159.11717	23.3
161.09624	2.2
161.13271	24.8
163.11252	7.6
163.14835	5.9
165.12772	2.8
167.08604	2.8
169.10208	8.3
171.11707	22.4
173.11861	3.4
173.13306	16.9
175.11194	4.3
175.14868	12.9
177.12811	6.7
179.14337	43.8
181.10135	4.8
183.11755	12.7
185.13263	15.9
187.14833	10.3
195.11807	6.6
195.13791	2.6
197.13295	9.9
199.14877	9.9
201.16417	2.5
207.11800	2.6
209.13298	5.5
211.14932	3.9
213.16496	4.4
215.18008	2.5
217.19485	2.7
219.17505	2.4
223.14938	3.6
227.18002	3.4
231.21152	3.7
239.17978	3.0
241.19495	22.1
243.21129	3.0
257.19122	5.4
259.20578	35.2
261.22266	6.6
275.20078	16.6
277.21640	38.4
277.24265	2.5
282.77905	2.5
293.21167	14.0
315.23257	6.1
333.24265	34.2
335.25858	12.4
336.26324	2.3
349.23688	10.1
351.25320	39.3
419.33170	5.4
435.32922	3.1
437.34161	19.2
455.35541	2.8
492.74353	2.2
493.36661	3.7
501.35904	3.2
511.37732	15.8
513.35657	4.5
515.37433	8.1
517.40790	6.2
527.28943	2.1
527.37598	6.6
529.38910	24.4
535.41864	11.4
553.42334	2.3
609.45105	93.2
627.46271	100.0
628.45837	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	628.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01869	0.5
55.05511	2.1
57.03434	4.9
57.07074	0.5
59.13780	0.3
61.02926	3.9
65.03938	0.4
65.04514	0.3
67.05506	13.5
69.03413	1.1
69.06728	0.5
69.07070	5.7
70.06583	0.3
71.04980	1.3
71.54059	0.4
71.72990	0.3
72.26394	0.3
73.02918	1.8
79.05065	0.5
79.05490	6.5
81.03419	0.6
81.07059	18.7
83.04988	1.8
83.08617	3.8
85.02908	4.2
85.06530	1.1
91.03967	3.7
91.05479	3.8
93.07047	14.8
95.04955	1.2
95.08607	5.4
97.02889	2.4
97.06534	3.8
97.10146	0.5
99.08079	1.2
105.07021	1.2
107.08602	8.0
109.06532	0.7
109.10138	1.0
111.04452	0.3
111.08069	2.6
115.03912	0.7
115.58501	0.3
117.07005	2.3
119.08582	0.6
121.10151	5.2
123.04433	1.1
123.11681	0.7
124.04789	0.4
127.03911	1.1
131.08574	2.4
133.04961	0.4
133.10143	2.4
135.08076	0.6
135.11696	3.1
137.51991	0.3
139.11139	0.8
145.04945	1.6
147.03021	0.3
147.04312	0.4
147.11673	0.6
149.09656	0.4
149.13263	13.5
159.11699	5.3
163.06001	2.0
171.68669	0.3
177.12749	2.8
195.13835	4.0
213.14952	0.4
251.16412	0.4
269.17484	100.0
270.17831	0.7
413.21722	0.9
431.22873	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.3
53.27893	1.9
55.01879	22.8
55.05515	45.5
56.95559	1.8
57.03433	12.2
57.07071	4.9
65.03938	5.1
67.05509	97.5
68.62933	2.4
69.03437	3.9
69.07074	33.1
69.35501	14.5
71.05002	6.9
71.08620	3.0
77.03897	2.0
79.05492	76.6
81.03413	6.5
81.07062	100.0
83.04972	10.9
83.08621	24.3
85.06564	3.4
91.05485	62.7
92.97202	1.8
93.07047	75.8
93.23568	2.2
94.07425	2.3
95.04971	24.9
95.08616	62.8
97.06524	26.2
97.10165	15.1
99.04456	2.3
99.08102	2.3
105.04478	2.3
105.07033	55.1
107.04969	15.4
107.08599	62.2
109.06544	8.2
109.10155	29.0
111.04442	2.6
111.08076	7.6
115.05476	2.1
117.07024	17.7
119.07726	2.7
119.08581	41.6
121.06545	4.4
121.10159	30.7
123.08096	6.4
123.11715	11.9
124.79842	2.1
125.09634	13.1
128.06239	2.0
129.07027	9.3
131.08582	34.2
133.06509	2.5
133.10138	28.2
135.08046	4.5
135.11699	21.7
137.09627	4.1
139.11220	3.3
141.07007	3.4
143.08574	15.1
145.10124	36.3
147.11678	21.0
149.09622	27.4
149.13235	10.6
151.11203	4.3
155.08585	4.9
157.10106	10.1
159.11700	22.3
161.09639	3.7
161.13251	13.9
163.11143	14.1
163.14862	3.0
165.12843	3.9
169.10152	8.4
171.11685	13.8
173.11856	4.1
173.13312	11.1
175.14819	5.0
177.12715	2.9
177.16371	2.9
179.14369	2.1
181.10313	2.3
183.11757	8.4
185.13319	6.6
187.14890	7.3
189.11264	7.9
189.16362	2.7
195.11781	3.7
197.13327	7.6
199.14865	6.3
201.16374	5.8
205.12247	2.5
207.13783	2.0
209.13470	2.1
211.14854	5.0
213.16420	4.8
215.17989	3.1
219.17445	2.9
223.13271	13.3
223.15099	1.8
225.16440	2.3
227.12848	12.2
227.18082	2.8
229.19569	3.8
239.18013	5.9
241.19565	3.8
243.16031	3.8
243.21136	3.1
247.20769	2.7
257.19046	12.2
259.20731	4.9
261.22232	8.7
275.20081	67.9
277.21722	4.8
293.21030	20.3
331.22629	2.9
333.24329	4.7
335.25839	41.8
349.23700	27.7
351.25272	4.0
367.30240	3.2
435.01532	1.9
441.33630	3.5
515.37384	7.1
517.40393	4.9
529.38824	14.1
535.41602	8.2
552.23413	2.5
553.42120	4.3
555.40991	2.9
591.44092	3.2
609.45166	70.7
627.46185	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.5
55.01868	1.3
55.05524	3.3
57.03447	4.1
61.02929	3.6
67.05513	8.6
69.03426	1.2
69.07079	5.2
71.04990	1.2
71.54125	0.7
73.02910	1.5
75.65012	0.4
79.05494	4.9
81.03426	0.6
81.07066	31.5
83.04987	3.0
83.08634	3.2
85.02914	4.5
85.06550	1.9
91.03972	3.2
91.05491	9.0
93.07056	3.9
95.04955	0.8
95.08621	6.4
97.02878	1.8
97.06536	2.3
99.08085	2.0
105.07043	14.6
107.08613	6.2
109.06519	2.1
109.10168	1.1
111.08097	0.6
113.05997	1.2
119.07802	0.9
119.08598	10.7
119.09412	0.4
121.10150	8.8
123.04427	0.6
123.08060	2.2
123.10837	0.7
123.11723	14.2
125.09676	0.5
127.03902	1.5
127.07547	1.6
129.06973	0.8
131.08572	0.7
133.10138	1.6
137.09579	0.7
137.13243	1.1
139.03909	1.2
141.09154	0.7
145.04936	0.9
145.10179	0.6
147.04407	0.8
147.11705	39.1
157.10156	1.4
163.06018	1.5
165.12775	18.8
175.11189	1.7
183.13797	2.2
193.12277	1.7
229.14375	5.3
239.16782	0.5
267.15942	24.3
285.16995	100.0
286.04700	0.8
287.05399	1.4
303.05109	0.6
411.20013	0.6
429.21274	1.0
447.22345	5.6
451.10312	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3377
Annotation	Leucasperoside B
Peak:m/z	Relative Intensity
53.03938	10.9
54.68948	2.6
55.01866	7.8
55.05512	24.7
57.03440	22.6
59.90200	2.4
65.03933	3.0
67.05505	58.9
69.03428	19.9
69.07082	21.0
70.06573	2.3
71.01361	2.7
71.04976	8.5
71.54053	2.6
71.54543	3.8
71.79840	2.6
73.02928	3.6
79.05497	57.0
81.03423	100.0
81.07061	44.2
83.04987	41.0
83.08613	24.7
85.02910	19.0
85.06543	6.7
91.05484	44.2
93.07040	55.1
95.04980	27.8
95.08599	15.5
96.17912	2.4
97.02895	19.7
97.06539	16.2
97.10172	16.6
99.04463	5.9
105.07022	21.8
107.04952	7.9
107.08596	41.0
109.02895	14.1
109.06542	3.7
109.10157	12.3
111.04424	12.9
111.08078	8.8
115.05462	3.2
117.07020	9.5
119.08582	21.7
121.06498	5.8
121.10145	12.2
123.08091	3.7
123.11708	3.0
125.09655	4.9
127.03907	11.4
129.05475	10.6
129.07014	14.1
131.08569	12.9
133.06430	2.9
133.10143	12.1
135.11693	53.3
137.09596	5.2
145.10132	13.2
147.11729	17.4
149.09595	6.3
151.11140	3.4
153.12791	4.1
157.10104	13.4
163.11147	14.3
165.12698	4.1
173.04395	2.5
175.11195	11.9
181.12209	18.8
182.26056	2.6
191.10719	3.2
193.12231	42.5
199.13419	2.8
211.13297	60.9
221.90979	2.8
227.12811	5.6
229.14471	3.3
235.13278	2.3
255.15921	81.1
267.15939	26.5
275.47025	2.6
285.16904	12.5
319.15335	2.5
337.15817	3.0
355.17703	5.6
355.22556	2.4
399.20105	7.0
419.62692	2.8
421.25769	2.6
429.21417	13.1
429.26154	4.0
447.27454	79.2
465.28473	77.8
609.23407	3.9
609.32751	67.5
627.33240	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	627.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.3
61.02929	4.2
68.99793	0.3
69.03410	0.7
70.68742	0.4
71.16165	0.2
73.02927	1.0
73.22749	0.2
74.91361	0.2
81.03421	0.4
81.20650	0.1
85.02907	4.2
89.53404	0.2
91.03960	2.7
92.25119	0.2
95.04967	0.2
97.02891	2.0
99.04439	0.3
109.02858	0.4
111.00834	0.5
121.02890	0.6
127.03886	0.8
137.02338	2.4
139.03868	0.2
139.27176	0.2
145.04977	0.6
149.02322	0.4
152.34013	0.2
153.01826	2.6
163.03966	0.6
165.01825	1.7
166.02663	0.2
173.06042	0.4
177.78419	0.2
183.02884	0.6
187.03964	0.3
195.02870	0.2
201.05516	1.1
205.05040	0.2
213.05399	0.2
219.06651	0.2
228.04199	0.2
229.04980	3.6
242.17290	0.2
247.06046	0.5
257.04465	1.9
274.04755	0.6
285.04059	0.9
303.04993	100.0
304.05246	1.1
345.06033	0.3
434.02661	0.2
465.10303	12.6
529.31128	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	627.2808
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05510	1.5
64.83622	0.5
67.05510	2.1
69.07066	0.8
79.05502	1.1
81.07060	2.3
91.05487	2.2
93.07045	1.8
94.06554	0.7
95.04965	1.0
95.08640	1.0
95.28542	0.5
97.10197	0.8
98.21558	0.7
105.07024	1.4
107.08609	0.9
109.10220	0.6
119.08588	1.3
123.84563	0.6
129.07005	0.7
131.07297	0.9
131.08595	1.1
132.08899	0.5
133.10103	0.8
136.07616	1.4
145.10178	0.5
146.06026	0.6
148.11993	0.6
171.11763	0.6
172.07663	0.9
174.09135	3.6
186.09219	0.7
187.08684	1.2
187.12334	3.5
188.10806	1.9
197.07109	1.0
199.08618	0.8
199.12454	0.6
211.08688	1.5
212.09337	1.0
213.10179	0.9
215.11720	2.7
223.08723	1.1
224.09421	0.9
225.10205	2.8
226.11023	0.7
227.11717	2.7
228.09230	0.6
235.08765	1.1
237.10303	0.8
239.11821	2.6
241.09950	0.6
241.13422	2.4
243.11304	19.2
249.10240	1.7
251.11871	1.7
252.08974	0.8
253.09863	1.5
253.52975	0.6
263.11871	0.8
265.09766	1.1
267.11288	7.1
269.12918	1.8
277.09747	1.3
285.12485	2.1
291.11227	1.0
293.12866	0.7
295.10806	2.9
295.14139	0.6
299.14087	1.3
300.11630	0.7
301.15488	3.1
309.12421	2.2
314.12927	1.4
316.10791	1.5
316.14316	1.0
317.11603	0.7
319.10745	0.9
325.15582	6.0
326.12933	0.7
327.13394	4.9
328.10910	1.5
328.14563	1.7
329.11584	1.1
330.12418	1.9
330.15945	0.9
331.13474	0.9
332.14017	0.7
340.10822	0.7
341.12195	0.6
342.12433	3.3
342.16113	0.9
343.13300	2.3
344.10574	0.6
344.13843	2.6
345.14835	1.3
346.15500	2.1
348.13382	2.5
351.13336	1.1
354.12509	0.8
355.13150	0.9
356.14026	2.0
357.14749	1.2
358.15424	2.5
359.16324	0.6
360.17062	1.6
368.13797	0.7
370.11649	1.0
370.15704	2.2
372.13434	0.6
372.17303	4.1
374.14850	1.3
382.15598	1.1
384.17419	1.0
386.14636	1.1
386.18924	1.2
390.14499	0.7
398.15167	1.0
400.16705	2.3
403.15634	0.9
404.16287	0.7
412.16476	0.7
418.17874	1.6
421.17139	1.1
422.17520	1.2
423.18433	0.9
430.17825	1.2
431.18573	1.6
432.19397	2.9
433.20154	0.9
435.14145	1.3
435.19305	1.0
436.19843	0.9
437.19687	1.8
441.17987	0.6
444.19308	0.7
445.20392	0.9
446.29999	1.1
447.21991	1.8
447.30429	0.7
449.15396	0.9
449.20480	1.2
450.16986	1.9
451.17184	1.1
451.22162	1.1
460.18723	1.1
461.23929	1.1
462.24289	1.8
463.16797	0.9
463.21280	2.1
464.18280	0.8
465.18787	11.2
467.20453	0.8
472.18396	1.0
473.19690	0.7
477.19061	1.1
478.20218	1.6
479.20712	5.2
480.21628	4.0
481.22452	2.3
489.22870	1.3
490.23398	1.1
491.20831	1.2
492.21582	2.4
493.22855	4.5
494.23215	0.6
503.20795	0.7
504.21133	2.7
506.23154	1.4
507.24014	3.1
508.21201	2.1
517.22375	1.5
518.20740	0.6
520.21118	0.9
521.25751	0.9
523.23291	0.6
529.38165	2.0
535.23187	5.6
539.26367	0.7
541.23816	1.3
549.25031	8.9
553.24677	1.8
567.26080	47.4
577.24530	1.1
595.25476	38.1
609.26685	1.1
627.28119	100.0
628.28510	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70365	0.1
57.03429	0.4
61.02932	4.5
65.03960	0.2
68.99787	0.6
69.03447	0.9
69.93475	0.2
69.93895	0.4
71.04989	0.2
73.02930	1.0
81.03441	0.6
85.02911	4.2
91.03960	2.2
93.03377	0.2
95.04977	0.2
97.02899	2.1
98.21510	0.2
99.04429	0.2
105.69577	0.1
109.02887	0.5
111.00793	0.7
115.03946	0.2
121.02874	0.9
123.04422	0.2
127.03957	0.9
135.04434	0.2
137.02347	2.6
137.05977	0.2
139.03955	0.9
145.04955	0.7
147.04404	0.2
149.02364	0.6
150.94708	0.1
153.01842	3.2
161.05959	0.2
163.03932	0.6
165.01837	1.9
166.02539	0.2
170.94150	0.1
173.05988	0.2
177.05481	0.1
183.02975	0.7
183.04405	0.2
187.03876	0.3
188.02742	0.1
201.05481	1.2
205.04991	0.2
219.02962	0.2
219.06500	0.3
229.04973	3.4
247.05960	0.7
257.04434	2.3
274.04770	0.7
275.05511	0.1
285.03992	1.3
287.05627	0.3
289.06335	0.2
302.04318	0.2
303.05005	100.0
304.05405	0.9
311.79538	0.1
345.06006	0.3
369.06595	0.2
422.25095	0.1
447.08755	0.2
465.10330	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	627.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01869	0.3
57.03418	0.6
60.75200	0.2
60.75566	0.2
61.02930	6.6
68.99799	0.3
69.03436	1.3
69.28970	0.2
71.11959	0.4
73.02918	2.1
75.70162	0.3
81.03407	0.9
85.02906	8.1
86.31464	0.2
91.03413	0.3
91.03953	4.5
97.02889	3.7
99.04450	0.5
103.88211	0.2
109.02896	0.7
111.00794	1.0
115.03932	0.4
121.02858	0.9
123.04455	0.5
127.03932	1.9
137.02328	3.1
145.04962	3.0
149.02332	0.4
153.01828	3.4
163.03882	0.4
163.05983	1.6
165.01843	1.9
183.02855	0.8
183.04369	0.2
187.03723	0.3
194.27763	0.3
201.05481	1.6
228.04198	0.3
229.04950	4.2
247.06075	0.6
257.04480	2.8
261.59360	0.3
274.04745	0.6
285.03906	1.2
303.04999	100.0
304.05353	1.1
315.05066	1.3
327.04932	0.4
341.06686	0.5
345.06024	1.7
369.06171	1.1
399.07004	0.3
465.10275	1.7
628.08118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01674	1.0
55.01881	10.2
55.05515	25.6
57.03445	5.5
57.07064	2.9
59.04979	1.1
65.03928	2.3
67.05510	44.5
69.03419	3.9
69.07070	19.9
69.22779	2.9
69.23201	6.0
71.04991	4.8
72.27250	1.0
77.03889	1.7
79.05496	29.8
81.03409	3.8
81.07063	45.2
83.04996	4.1
83.08625	13.3
85.06540	2.8
91.05489	29.5
91.05944	0.8
93.07049	32.1
95.04965	4.9
95.08612	27.6
97.06531	8.3
97.10180	10.0
97.58401	0.9
98.20776	1.8
99.04414	0.9
99.08120	1.2
100.15128	0.9
103.05503	1.4
105.07034	26.5
107.04969	1.9
107.08602	22.7
109.06546	2.1
109.10157	14.4
111.08110	3.4
115.05508	2.5
117.07025	14.2
119.08586	22.7
121.06531	2.0
121.10147	12.7
122.59829	1.0
123.08068	3.0
123.11708	7.0
125.09641	7.4
128.06285	3.5
129.07027	13.5
130.07796	1.6
131.08565	20.5
133.09152	1.7
133.10135	18.3
135.08070	3.7
135.11705	6.5
137.09628	2.0
139.11147	1.3
141.06995	6.4
142.07808	4.1
143.08575	16.7
143.09683	1.0
145.06516	1.1
145.09038	2.1
145.10124	19.4
147.08080	1.5
147.11693	11.1
149.09633	3.3
149.13292	4.2
151.11208	1.4
153.07008	2.1
154.07817	2.2
155.08557	14.7
156.09380	2.8
157.10143	16.2
159.08122	1.0
159.11707	16.4
161.13275	7.2
163.11205	2.9
165.07027	2.3
165.12837	1.1
166.07700	1.1
167.08640	5.9
168.09393	2.2
169.10135	15.6
170.10851	1.8
171.11681	13.4
173.13243	8.1
175.11293	1.4
175.14809	2.5
177.12724	1.1
178.40936	1.2
179.08591	1.9
181.10143	8.5
183.10207	1.9
183.11691	13.7
185.13295	12.6
187.11295	1.6
187.13313	2.7
187.14870	4.6
189.11247	3.4
189.12779	1.5
189.16396	1.6
191.14445	1.1
193.10196	3.2
195.11743	6.2
197.13286	11.9
199.14851	9.6
200.15649	1.1
201.16454	2.4
207.11746	3.7
209.13342	7.2
211.14857	8.3
213.16425	4.5
215.14371	1.2
215.18002	2.4
219.11720	1.5
221.13408	2.3
221.64873	1.1
223.14867	6.0
225.01083	1.2
225.16383	4.8
226.17046	1.2
227.12697	5.6
227.18019	2.8
233.13388	1.8
235.14926	3.2
237.16394	3.1
239.18022	4.6
241.19588	5.3
243.16011	4.4
247.14914	1.4
249.16432	1.3
251.17938	2.7
253.19542	2.7
257.19028	2.8
259.20660	4.0
261.21954	1.3
263.18018	1.3
265.19467	1.5
267.21176	1.8
269.17490	1.8
273.18744	1.3
275.20099	6.3
276.20737	1.1
285.22031	1.4
291.20847	1.4
295.20679	1.9
301.21680	1.0
309.22113	1.5
311.23932	1.7
315.23233	1.2
323.23880	1.6
329.24710	1.0
333.24304	3.6
339.23166	1.1
349.23712	4.5
361.25214	1.1
365.28387	6.0
375.26794	1.4
377.28519	1.2
379.30136	1.8
381.31683	2.4
383.29608	1.8
400.70291	1.1
403.30011	2.4
409.31137	1.2
419.28702	1.2
421.30862	4.0
439.32144	4.0
445.30389	1.5
447.32639	1.1
453.34030	1.3
463.30859	2.1
495.34848	2.0
513.35754	14.0
515.38843	8.7
527.37622	4.0
533.40027	11.1
539.37036	1.2
551.41333	5.5
555.37012	1.9
559.72058	1.0
589.42511	2.7
597.45117	1.5
607.43579	45.1
608.44238	1.7
625.44653	100.0
626.44788	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
54.29636	0.9
55.01873	7.4
55.05273	1.6
55.05518	26.0
57.03445	5.9
57.07070	3.2
59.04982	0.9
62.35745	0.8
63.69621	0.9
65.03946	2.3
67.05510	45.6
69.03415	2.1
69.07076	21.4
69.26155	8.6
69.39363	1.0
69.86742	1.0
71.04995	3.7
72.71618	0.9
79.05499	30.6
81.03418	2.5
81.07062	45.0
83.04987	3.8
83.08619	14.6
85.02927	0.9
85.06555	2.2
86.09709	3.6
86.59949	0.9
88.52935	1.0
91.05491	29.2
91.47469	0.9
93.07051	33.7
95.04958	5.2
95.08617	31.2
97.06550	9.1
97.10177	11.3
98.20811	1.9
103.05483	1.4
105.04548	1.2
105.07043	28.5
107.04983	2.9
107.08599	20.9
109.06532	3.6
109.10159	15.2
111.08083	3.2
115.05444	2.6
117.07034	16.5
119.08598	22.7
121.06534	1.5
121.10162	11.1
123.08105	2.0
123.11721	9.9
125.09640	8.2
128.06195	4.8
129.05663	0.8
129.05960	1.0
129.07005	14.1
130.07793	1.4
131.08582	21.6
133.06543	1.5
133.10149	17.3
135.08014	2.2
135.11673	7.5
137.13252	1.0
139.11188	1.3
140.14354	1.5
141.07001	6.9
142.07770	4.7
143.08575	20.1
144.09274	1.1
145.06445	1.3
145.10135	21.5
147.08009	1.2
147.11707	12.3
149.09616	2.6
149.13280	3.9
151.11151	1.7
153.07016	1.9
154.07838	1.6
155.08568	12.4
156.09373	2.1
157.10141	19.7
157.11337	1.6
158.10892	0.9
159.08073	1.7
159.11711	16.3
161.09619	1.7
161.13271	5.3
163.11234	2.3
163.14850	1.1
165.07008	1.3
167.08545	6.4
168.09407	2.5
169.10141	15.8
171.11676	17.4
173.11917	1.7
173.13290	10.3
175.11293	1.0
175.14847	3.5
177.12778	1.8
179.08650	2.1
180.09438	1.1
181.10107	7.0
183.11710	14.7
184.12479	1.3
185.13292	10.7
187.11276	2.0
187.13310	2.8
187.14879	4.7
189.11223	3.8
189.12724	1.2
189.16455	1.8
191.14386	1.1
193.10133	2.3
195.11723	8.4
195.13339	1.2
196.12491	1.7
197.13264	11.8
198.14122	1.0
199.11267	1.3
199.14850	6.6
201.16470	3.5
207.11757	2.9
209.13277	6.5
211.14847	10.4
213.12875	2.0
213.16440	5.2
215.18040	2.2
217.15889	1.2
221.13272	4.5
223.14827	5.0
225.12906	1.3
225.16359	5.0
227.12788	6.0
227.18076	2.8
229.14334	1.9
229.19470	1.2
233.13261	1.7
235.14888	2.6
237.16451	2.7
239.18013	2.9
241.19617	5.8
243.16010	4.1
249.16508	2.6
251.17892	1.6
253.19629	3.5
255.17569	1.0
257.19040	2.1
259.20676	3.9
263.18054	1.4
265.19470	1.6
267.21075	1.2
269.22830	1.3
271.20566	1.4
273.18552	2.5
275.20212	6.9
277.21622	1.2
279.20764	1.4
281.22482	1.2
281.69229	0.9
283.20477	1.0
285.21997	1.8
297.22156	1.5
307.20480	1.5
309.22162	1.0
311.20239	1.4
315.23441	1.9
321.21771	1.0
323.24017	1.2
327.23300	1.1
333.24457	4.5
337.25229	1.2
339.23221	1.5
347.27573	1.2
349.23807	4.3
353.24768	1.1
363.26843	1.8
365.28482	8.0
379.30191	1.5
381.31848	2.5
383.29581	2.5
395.29544	1.5
421.31021	2.6
439.32019	4.4
441.13635	0.9
445.30551	1.1
455.49164	0.9
482.57498	1.0
497.38318	1.2
499.34448	1.1
513.35797	16.7
515.38855	8.2
525.36377	1.0
527.37408	4.6
533.39807	8.2
537.36316	1.1
538.37274	1.6
543.36151	1.4
551.41357	7.7
555.37494	1.5
589.42554	3.4
597.44434	1.3
607.35907	0.7
607.43597	45.4
625.44690	100.0
626.44983	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	625.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.4
53.03935	4.5
55.01631	1.7
55.01874	18.3
55.05267	1.8
55.05513	23.6
57.03432	6.3
57.07071	3.6
65.03934	4.7
67.05508	51.9
68.13084	1.0
69.03444	1.3
69.07070	42.8
71.04984	3.9
71.08612	1.7
73.06568	1.0
77.03918	1.9
79.05495	41.9
81.03438	4.9
81.07057	57.2
83.04988	6.9
83.08620	11.8
85.06548	2.9
91.05479	46.5
93.07046	43.8
95.01309	2.6
95.04966	8.8
95.08607	39.0
96.08990	1.2
97.06534	25.4
97.10178	4.2
99.08107	2.6
103.05463	1.7
105.04495	1.1
105.07034	48.8
107.04955	10.5
107.08592	22.2
108.08917	1.1
109.06521	6.7
109.10164	16.0
111.08095	3.8
115.05449	3.0
117.07012	20.4
119.04909	1.2
119.08585	34.6
121.06512	3.5
121.10161	15.7
123.08070	5.0
123.11715	4.4
125.09652	3.2
127.07449	1.0
128.06227	3.6
129.07001	13.1
130.07816	1.3
131.08571	29.9
131.09529	1.6
132.08873	1.0
133.06480	2.4
133.10133	31.2
133.11099	2.0
135.08112	2.8
135.11708	10.9
137.09596	2.3
137.13321	1.4
141.06984	5.6
142.07820	3.6
143.08568	21.5
144.09331	1.4
145.06490	3.0
145.10129	29.9
147.08032	2.3
147.11687	19.4
149.09666	7.2
149.13275	5.8
151.11206	2.7
153.07011	2.4
154.07796	1.3
155.08566	8.9
156.09296	2.2
157.10124	17.7
159.08115	1.4
159.11696	20.9
161.09660	3.3
161.13237	12.0
162.13556	1.3
163.11227	3.3
163.14873	1.8
166.07750	1.3
167.08522	5.1
169.10132	13.8
170.10925	1.0
171.10271	1.4
171.11681	17.5
173.09578	1.2
173.13239	15.0
175.11224	2.7
175.14883	5.9
177.12791	3.5
179.08571	1.2
179.14362	4.4
181.10155	7.9
183.11700	15.2
185.09595	2.2
185.13277	14.3
187.11198	3.6
187.14809	4.8
189.12749	1.4
189.16306	1.5
191.14252	1.3
193.10175	3.1
193.12422	1.3
194.11005	1.0
195.11736	9.0
197.13271	9.8
199.11266	1.9
199.14812	9.1
201.16386	2.7
205.12349	1.4
205.15924	1.0
207.11766	3.8
209.13240	6.8
211.10985	1.1
211.14864	6.5
213.12868	1.1
213.16412	3.9
215.14397	1.2
215.95575	1.1
217.19601	1.3
221.13382	4.9
223.14944	5.1
225.16414	3.6
227.18068	1.9
231.21175	1.8
235.14935	3.1
237.16415	4.0
239.18031	2.9
241.19548	9.9
243.21080	1.1
245.19127	1.8
249.16393	2.0
251.17998	1.4
257.19092	4.7
259.20581	14.5
261.22412	1.2
265.19626	1.3
273.18567	5.4
275.20053	28.5
276.20642	1.3
277.21805	2.1
283.20749	1.2
289.21570	2.1
291.19647	3.1
293.21228	2.4
297.22095	2.3
299.23743	1.3
311.20166	1.3
311.23605	1.5
315.23233	3.6
323.23764	1.6
325.21835	1.1
325.25381	1.5
327.23236	1.4
327.26721	1.4
329.25107	1.4
333.24414	9.6
347.22452	1.7
349.23724	18.1
393.27917	1.3
395.29297	1.4
421.31036	2.2
435.32608	4.4
437.34238	8.1
453.33820	1.3
475.35727	1.2
481.33102	1.2
493.36508	2.0
495.35089	1.5
499.51160	1.1
501.35696	1.7
509.36185	2.1
511.38092	9.5
513.35791	8.0
515.38861	5.3
527.37201	7.1
529.39142	3.4
533.39880	9.4
537.35822	1.4
551.41266	4.9
555.36798	1.5
556.37805	1.9
562.38123	1.8
567.39752	1.3
589.43268	2.4
597.45068	2.5
607.43530	53.2
608.43848	2.2
625.27881	3.5
625.44635	100.0
626.44971	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.8
55.01876	25.8
55.05268	2.7
55.05515	30.9
57.03439	6.6
57.07076	4.2
59.28952	1.3
59.83030	1.5
63.98595	1.4
65.03939	4.7
67.05510	69.7
69.03426	2.7
69.07072	66.5
70.10912	5.9
71.04985	3.8
76.35045	1.4
77.13088	1.3
77.28503	1.4
79.05497	50.9
81.02971	2.1
81.03426	17.2
81.07063	74.2
83.04987	7.0
83.08626	17.1
85.06550	4.5
91.05487	62.6
93.07047	58.7
95.01340	5.4
95.04964	13.5
95.05368	1.1
95.08614	49.0
97.06536	35.4
97.10162	7.2
97.15691	1.4
98.98486	4.4
99.08089	3.4
105.04540	2.1
105.07037	65.7
107.04958	16.9
107.08603	31.9
109.06511	7.2
109.10163	19.1
111.04462	2.6
111.08123	6.4
111.11708	1.4
113.04267	1.6
115.05481	1.5
117.07020	22.7
117.63976	1.4
119.04978	1.5
119.08593	48.5
121.06535	4.9
121.10146	20.9
123.04502	1.8
123.08049	7.4
123.11723	6.2
125.09628	7.5
128.06252	4.2
129.07007	20.1
130.07796	2.5
131.07596	3.1
131.08574	41.5
133.06482	2.6
133.10141	37.3
135.08092	4.6
135.11703	17.7
137.09613	4.9
139.11189	2.3
141.07033	6.0
141.11348	3.2
142.07800	5.2
143.08562	21.0
144.09248	2.5
145.06471	4.0
145.10132	33.8
147.08087	5.8
147.11693	26.4
149.09618	9.4
149.13263	8.3
151.11203	2.3
153.12762	1.4
155.01022	1.6
155.08589	10.1
156.09274	2.7
157.10138	24.3
159.08086	3.2
159.11702	27.5
160.17174	1.4
161.09662	5.2
161.13246	19.3
163.11201	5.9
163.14861	2.7
165.12823	2.0
167.08604	6.2
169.10133	15.1
171.08087	1.5
171.10291	2.5
171.11691	23.5
172.32222	1.8
173.09619	2.5
173.13298	17.7
175.11261	3.3
175.14830	10.5
177.12770	3.2
179.08659	2.2
179.14377	5.4
180.09332	2.3
181.10167	7.1
183.11682	12.4
185.09674	3.2
185.13263	17.9
187.11229	3.8
187.14856	9.0
189.12817	3.0
191.14351	2.1
193.10219	1.7
193.12305	5.0
195.11752	8.4
197.13261	10.6
199.11194	2.3
199.14816	9.0
201.12746	1.8
201.16443	3.6
207.11801	2.8
209.13271	7.8
211.14870	4.5
213.12866	2.1
213.16429	3.4
215.14346	2.0
215.18086	1.8
217.34683	1.6
219.11823	1.9
221.13420	3.6
223.12991	1.7
223.14880	5.0
225.16432	3.7
227.17998	3.0
229.19545	2.2
237.16379	4.4
239.18082	4.6
241.19510	15.6
243.72360	1.5
245.18932	2.2
247.17131	1.7
247.20607	1.6
251.18069	1.9
255.21237	2.1
257.19006	6.9
259.20578	20.8
261.22162	3.7
263.17960	1.8
265.91837	1.8
267.15720	2.2
269.18945	1.3
271.20523	1.7
273.18558	11.9
275.20068	41.1
277.21790	2.9
281.22534	2.0
289.93787	1.6
291.19696	5.1
293.21335	2.9
297.22049	2.5
311.23849	2.5
313.21777	2.7
315.23294	6.3
321.22061	2.1
325.21786	1.9
325.25195	1.6
331.22830	2.0
333.24304	24.5
335.26111	2.7
337.25485	2.2
341.24698	1.6
347.22641	2.6
349.23715	28.7
419.33231	3.3
421.31061	2.1
435.32526	8.6
437.34189	15.7
453.33951	4.3
475.35831	2.6
493.36713	3.4
501.35223	1.7
509.36191	4.8
511.37936	12.9
513.36084	7.7
515.38940	5.4
519.62457	1.6
527.37402	47.2
529.39081	5.8
533.39740	11.0
551.41016	5.7
555.37073	2.8
556.38342	1.6
565.28119	7.1
597.45587	2.6
607.43585	65.1
625.29382	22.1
625.44666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01867	5.1
55.05515	24.1
57.03447	3.4
57.07078	4.1
59.05003	2.6
65.03938	3.4
67.05507	45.7
69.03429	2.4
69.07075	18.7
71.04984	4.5
79.05491	31.0
81.03429	6.1
81.07058	46.2
83.04985	4.7
83.08612	15.8
91.05489	26.0
91.33030	1.8
93.07045	31.0
95.04962	4.6
95.08604	23.1
97.06548	7.3
97.10168	15.8
98.98415	1.6
99.08110	2.1
103.92713	1.8
105.07038	26.9
107.04974	3.0
107.08599	23.8
109.06530	3.3
109.10159	15.4
111.08070	1.9
115.05530	1.9
117.07036	13.9
119.08574	24.5
121.10130	12.6
123.08112	3.0
123.11691	11.1
125.09641	6.9
128.05379	1.9
128.06226	3.6
129.07027	14.4
131.08560	21.0
133.06520	1.9
133.10146	17.1
135.08113	2.5
135.11734	7.2
137.09607	2.2
141.07031	5.7
142.07808	2.0
143.08588	18.6
145.06516	2.5
145.10138	16.1
147.11682	10.1
149.09602	3.9
149.13295	3.7
155.08517	12.1
156.09395	2.8
157.10153	21.1
159.11699	12.0
160.13365	1.8
161.13289	4.6
163.11235	1.8
165.07083	2.3
167.08623	5.8
168.09331	2.7
169.10117	13.6
171.11719	18.1
173.13341	5.3
175.14893	2.6
176.44717	1.6
181.10208	6.8
182.10962	1.7
183.11716	17.5
185.13245	12.6
187.13367	3.5
187.14886	7.3
189.11285	5.4
189.16467	1.6
193.10104	2.1
195.11749	6.0
197.13255	11.3
199.14870	9.5
200.10031	1.7
201.16376	3.0
207.11810	3.1
209.13322	4.0
211.14885	7.2
213.16550	4.5
221.13307	4.0
223.14890	4.7
225.16493	4.4
227.12724	7.8
227.17984	3.7
231.17372	2.0
235.14851	2.9
237.16463	3.8
239.18028	2.6
241.19608	3.7
243.16029	6.6
249.16435	1.9
251.18103	2.3
253.19684	3.0
257.18948	1.7
259.20706	4.7
263.18024	2.4
267.21283	1.8
269.22675	1.9
275.20233	4.0
333.24561	3.5
339.23291	2.5
349.23904	3.5
363.26706	3.1
365.28427	8.9
381.27628	2.9
383.29559	3.9
391.29755	1.9
419.29242	2.0
435.33102	1.9
439.32294	2.8
493.33365	1.8
513.36053	7.2
515.38995	6.5
527.37433	16.6
533.39972	8.8
551.41138	4.0
589.42596	2.5
607.43524	35.3
625.27917	3.4
625.44733	100.0
649.76282	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.3
55.01865	4.5
55.05511	15.5
57.03435	11.3
57.07048	2.4
65.03928	2.1
65.61432	1.4
65.77821	1.6
67.05508	56.0
69.03438	10.0
69.07075	22.3
70.18261	7.1
71.05003	8.3
73.02915	1.8
79.05069	2.9
79.05495	40.0
81.03423	28.7
81.07059	69.8
83.04984	20.8
83.08640	13.6
85.02900	5.0
85.06545	4.8
91.05481	24.1
93.07050	55.5
95.04961	6.4
95.08609	24.1
97.02901	5.2
97.06544	11.1
97.10210	2.1
99.04451	3.3
99.08077	3.5
105.07040	13.2
107.04951	2.7
107.08601	31.3
109.02845	4.8
109.06524	4.0
109.10174	4.8
111.04459	3.2
111.08090	5.8
117.07037	14.0
119.08598	10.4
121.06496	3.2
121.10156	17.1
123.04461	1.6
123.11695	3.3
125.09660	2.4
127.03908	3.5
129.05473	7.5
129.07021	3.9
130.48305	1.7
131.04965	1.8
131.08572	14.2
133.10152	8.9
135.08025	3.8
135.11693	9.0
139.11188	1.8
143.08572	2.8
145.06526	2.2
145.10133	5.3
147.11693	5.5
149.09628	1.9
149.13264	28.9
153.09010	2.1
157.10110	2.9
158.08179	1.7
159.11700	14.6
165.12697	2.2
167.14230	1.8
177.12740	8.8
181.10231	1.8
185.13309	2.0
195.13820	17.1
213.14685	1.8
261.14941	2.4
267.15842	3.5
269.14618	2.6
269.17480	48.6
275.16483	2.2
297.16901	1.7
321.17221	2.8
339.18027	5.7
395.20584	4.0
413.21725	14.0
445.29172	3.0
463.30576	100.0
464.30569	2.2
527.37408	14.9
551.44330	2.0
589.33044	1.9
607.34723	24.1
625.33362	8.4
625.44421	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	625.3586
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
50.92458	0.9
53.03933	2.6
55.01866	3.7
55.05265	1.2
55.05515	13.0
57.03428	3.6
57.07058	2.1
58.95683	0.9
61.02922	1.7
62.14120	0.9
65.03940	1.6
67.05512	40.4
69.03436	1.9
69.07079	13.3
69.26697	8.8
71.04974	2.7
79.05499	27.9
81.03416	3.3
81.06586	1.8
81.07060	36.1
83.05001	4.8
83.08613	7.8
85.02904	1.4
85.06554	2.5
91.05487	35.8
93.06487	1.8
93.07053	30.0
95.04961	4.6
95.08067	1.6
95.08617	23.1
97.02895	1.4
97.06524	4.2
97.10190	5.0
98.98474	1.0
99.08073	1.5
103.05481	1.9
105.07042	32.5
107.04946	2.8
107.08604	19.6
109.06509	3.6
109.10152	10.0
111.08091	2.2
115.05486	2.3
116.06273	1.6
117.07030	16.1
119.07810	1.5
119.08592	22.5
121.06517	4.7
121.10152	12.9
123.08071	1.7
123.11714	3.7
125.09636	3.8
128.06204	3.1
129.07024	13.4
130.07814	1.3
131.08582	28.2
133.06499	2.8
133.10139	16.5
135.08070	4.2
135.11685	7.2
137.09610	1.9
141.07019	5.6
142.07806	1.9
143.08574	14.7
144.09245	1.0
145.06525	2.1
145.10130	18.7
147.08041	3.8
147.11694	7.0
149.09651	4.7
149.13264	3.5
151.11176	1.5
153.06960	1.3
153.09166	0.9
153.93030	0.9
154.07881	1.2
155.08556	8.1
157.10141	11.5
159.08092	2.1
159.11713	11.1
161.09627	2.3
161.13287	3.6
163.11198	1.7
167.08557	4.1
169.10133	8.9
171.08035	1.2
171.11667	8.6
173.09587	1.4
173.13272	4.1
175.11151	1.7
175.14883	1.9
177.12794	2.6
177.83809	0.9
181.10161	3.5
183.11743	6.0
185.09705	2.0
185.13264	6.3
187.11194	1.4
187.14848	3.2
189.11154	1.5
189.12813	1.1
193.10100	1.9
195.11690	4.7
195.13719	1.9
197.13286	5.2
197.14824	1.0
199.14861	2.7
201.12779	2.1
201.16426	1.7
207.11490	1.1
208.12270	1.0
209.11421	1.1
209.13232	4.7
211.14891	3.7
213.12756	1.7
213.16362	2.0
215.14326	1.5
215.18053	1.1
221.13365	1.2
223.14876	2.6
225.16444	1.5
227.17871	1.4
235.14737	1.1
237.16412	1.5
239.18015	1.6
241.15933	1.5
241.19421	1.2
247.16957	2.4
261.18515	1.1
269.17542	1.4
273.18491	1.2
275.20123	2.2
325.25223	1.1
335.23895	1.4
343.26288	4.2
353.24759	12.4
365.28345	1.2
371.25824	12.3
389.26953	14.2
417.29782	1.2
427.28113	2.1
445.29529	100.0
453.33676	1.3
463.30597	56.7
464.30798	1.1
481.12164	1.0
513.35638	3.6
515.38776	1.5
527.37360	5.5
533.39563	3.3
542.56384	1.4
551.40399	2.3
593.32965	1.5
607.34753	1.4
607.43463	10.6
625.35614	1.9
625.44604	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
53.11106	1.0
55.01854	2.5
55.05511	11.8
56.00253	1.1
57.03436	3.4
58.67712	1.2
67.05508	27.5
69.03452	1.3
69.07075	9.7
70.24805	3.5
71.04993	2.9
79.05493	19.7
81.03407	3.3
81.07062	27.4
83.05029	2.1
83.08633	8.1
85.02854	1.4
85.06555	1.8
91.05480	22.9
93.07051	24.6
95.04983	3.6
95.08611	15.3
96.94226	1.1
97.06548	3.9
97.10184	3.3
98.98463	2.5
105.07034	22.4
107.04945	2.6
107.08598	14.3
109.06513	2.0
109.10159	7.7
111.08094	1.3
115.05463	1.7
117.07026	14.8
119.08595	17.5
121.06506	3.8
121.10139	8.5
123.08083	2.3
123.11716	2.4
125.09635	3.4
128.06189	1.2
129.07016	8.1
131.08578	19.3
133.06563	2.0
133.10127	13.0
135.08051	2.5
135.11699	2.9
137.09586	1.2
141.06984	2.3
142.07828	1.3
143.08575	9.8
145.06465	1.8
145.10133	14.7
147.08051	3.3
147.11678	4.2
149.09622	2.4
149.13261	2.4
150.62674	1.1
153.09175	1.7
155.00978	1.5
155.08563	4.0
157.10118	6.3
159.11687	6.8
161.09605	1.6
161.13290	1.8
167.08604	2.2
169.10136	4.9
171.11687	4.0
173.09673	1.5
173.13237	3.8
175.14648	1.1
181.10141	3.1
183.11717	2.2
184.68076	1.1
185.09724	1.1
185.13292	4.0
187.11246	1.4
187.14775	3.0
189.11256	1.2
189.12828	1.5
195.11716	2.4
195.13692	1.1
197.13304	3.7
199.14793	2.6
201.16376	1.4
209.13263	1.3
211.14865	2.8
213.12816	1.4
213.16446	1.8
215.14337	1.8
223.14795	1.3
225.16365	2.4
233.15343	1.7
237.16408	1.7
253.35304	1.3
269.17657	2.2
273.18704	1.6
273.22925	1.2
287.20215	1.1
299.23810	1.4
301.25311	2.8
335.23682	2.1
343.26361	1.7
353.24832	7.8
371.25842	11.0
389.26898	9.5
427.28601	1.2
435.32370	1.3
445.29538	100.0
446.29532	1.3
453.33563	2.9
463.30511	29.1
471.34595	3.3
509.36090	2.3
527.37390	32.5
607.33881	3.9
607.43207	1.9
625.25970	2.2
625.34766	6.3
625.43738	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26887	1.9
53.03936	8.8
55.01868	5.7
55.05512	28.3
57.03445	15.5
61.02920	3.0
63.75230	1.9
65.03915	4.3
67.05509	75.5
68.26308	2.4
69.03430	24.1
69.07076	25.7
69.52674	12.0
70.84203	2.1
71.04999	11.3
73.02914	4.2
73.07346	2.0
78.11732	2.0
79.05071	3.9
79.05499	49.1
81.02994	3.6
81.03425	55.0
81.07063	97.7
81.73013	2.0
83.04993	26.0
83.08631	18.6
85.02921	12.6
85.06532	6.2
91.05490	48.7
93.06491	4.5
93.07053	69.3
95.04980	10.9
95.08611	29.5
97.02896	14.1
97.06534	11.5
97.10164	3.7
99.04463	7.1
99.08117	3.1
103.29340	2.1
105.07017	22.6
107.04919	7.1
107.08604	44.7
109.02855	9.2
109.06498	7.1
109.10158	11.8
111.04449	6.7
111.08073	8.2
115.05420	3.0
117.07024	21.0
119.08582	16.8
121.06515	6.8
121.10155	25.7
121.15673	2.3
123.04469	3.2
123.08067	4.9
123.11713	5.5
127.03915	9.4
129.05460	6.3
129.07007	7.4
131.04922	3.4
131.08592	23.5
133.06508	3.4
133.10138	20.8
135.08080	3.7
135.11703	9.2
137.09604	2.4
139.11220	2.6
145.10104	8.2
147.08044	5.1
147.11688	10.5
149.13283	29.5
151.11151	2.8
155.08563	4.3
157.10143	4.1
159.08037	3.4
159.11714	19.3
163.11159	3.2
165.12733	4.7
167.08549	4.6
169.10165	3.0
171.11687	4.1
173.04448	17.0
175.11243	3.6
177.12769	7.6
185.13448	2.2
193.12230	2.8
195.13800	18.7
213.14861	4.6
253.14542	3.1
267.15866	4.9
269.17502	48.4
275.16455	2.4
293.17380	2.6
303.15714	3.2
321.16891	3.9
339.18036	8.4
343.26395	2.9
353.24606	5.3
371.25778	5.1
377.19177	2.7
389.26434	3.3
395.20642	4.9
413.21948	19.6
427.28226	2.8
445.29547	30.7
463.30591	100.0
487.30383	2.7
589.33997	5.3
607.34784	60.9
625.31824	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.4
55.01848	5.8
55.05272	1.9
55.05518	22.4
57.03439	16.4
57.07061	2.8
61.02902	5.2
64.08949	2.0
65.03921	6.1
67.05515	73.1
68.05834	2.3
69.03435	26.9
69.07075	25.6
70.18496	8.5
71.01345	3.5
71.05016	10.3
71.24757	2.4
71.46227	2.1
73.02930	2.8
73.30091	1.9
79.05086	2.6
79.05502	47.8
79.06202	2.1
81.02990	3.2
81.03426	43.5
81.07064	100.0
83.04995	23.4
83.08617	18.7
85.02901	13.2
85.06535	6.6
86.16627	2.3
91.03979	2.7
91.05486	33.5
93.06487	3.5
93.07052	70.2
95.04967	12.2
95.08613	25.3
97.02889	14.4
97.06561	15.5
97.10142	3.8
99.04446	7.7
99.08097	2.6
103.03920	2.1
105.07027	24.3
107.04945	6.8
107.08601	36.1
109.02877	8.4
109.06513	3.4
109.10161	11.1
111.04433	6.6
111.08054	9.9
113.05961	3.2
117.07026	17.1
119.08598	14.6
121.06508	8.0
121.10151	19.9
123.08021	3.3
123.11669	5.8
127.03922	12.0
129.05453	9.5
129.07034	10.3
131.08569	23.3
133.10164	19.6
135.07997	2.6
135.11681	12.6
143.08575	8.1
145.06435	2.4
145.10124	8.7
147.08055	3.3
147.11639	9.0
149.09576	2.5
149.13269	30.8
155.08559	4.4
157.10089	5.1
159.11679	18.2
165.12700	4.0
169.10112	4.3
171.08173	2.3
171.11623	4.3
173.04451	8.8
173.13283	3.5
177.12778	11.3
183.11713	3.0
193.12308	3.6
195.13800	21.1
211.13206	2.9
213.14745	3.8
219.13802	2.8
267.15866	3.4
269.17493	57.1
293.17621	2.7
303.16019	3.6
321.16693	3.5
339.17929	9.2
353.24738	5.9
371.25681	4.5
377.19247	2.7
378.20331	2.5
389.26941	3.5
395.20609	7.1
413.22037	20.2
435.30722	2.6
445.29520	32.4
453.20792	7.8
459.01590	2.2
463.24173	4.4
463.30545	88.5
487.30429	2.7
589.33466	5.6
607.25854	3.2
607.34845	63.1
625.31824	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72901	1.0
53.03938	1.5
55.01868	3.2
55.05515	17.3
55.69264	1.0
57.03427	3.3
57.07076	1.6
59.05008	1.3
65.03938	1.5
66.05292	1.1
67.05515	28.6
67.05878	1.4
69.03424	2.4
69.07079	11.4
69.82475	3.3
69.82882	2.4
71.04993	1.8
79.05070	1.5
79.05505	20.6
81.03436	5.5
81.07068	27.0
83.04987	2.8
83.08636	9.5
85.06535	1.7
90.89485	1.0
91.05489	20.6
93.06483	1.5
93.07049	19.9
95.05007	5.6
95.08627	16.8
97.06537	3.9
97.10174	9.9
98.98476	10.9
99.08080	1.4
104.56635	0.9
105.07047	19.8
107.04967	3.3
107.08601	11.4
109.06528	2.2
109.10176	9.5
111.08112	1.8
112.99857	1.0
117.07021	11.5
119.08599	15.1
121.06535	2.8
121.10123	6.9
123.08046	1.4
123.11770	1.3
125.09653	6.8
128.06291	1.7
129.07034	8.6
131.08592	14.9
133.06468	2.1
133.10168	8.6
135.08095	1.9
135.11665	5.2
141.07010	2.2
142.07742	1.3
143.08583	12.1
145.06483	3.7
145.10159	10.6
147.08035	1.8
147.11691	5.9
149.09654	2.2
149.13277	2.5
152.74197	0.9
153.09105	5.1
154.07722	1.2
155.01067	2.6
155.08595	4.8
157.10135	8.2
159.08055	3.6
159.11685	8.1
161.09677	2.6
161.13232	5.0
163.11131	1.3
167.08527	2.2
169.10182	5.6
171.11676	5.5
173.09651	1.2
173.13277	4.2
175.11156	1.7
175.14883	2.0
177.12682	1.4
179.14404	1.3
181.10161	2.3
183.11685	4.0
185.09631	1.8
185.13261	4.1
187.11302	1.4
187.14798	2.5
189.11256	3.4
193.10336	1.1
193.12286	1.8
195.11719	3.4
195.13817	1.8
197.13272	3.9
199.14830	3.6
201.16220	2.5
209.13341	2.1
211.14867	2.9
213.12758	1.5
213.16319	2.3
215.14233	1.4
215.17982	1.5
223.14784	2.6
227.12688	2.6
227.18153	1.2
235.14973	1.1
261.22171	1.2
263.16681	1.1
267.15887	1.3
267.21014	1.6
269.17590	3.1
285.22086	1.4
299.23679	2.0
301.22018	1.7
301.25201	7.9
341.24722	2.1
351.35999	1.1
355.26321	2.1
357.27994	1.4
389.26938	1.4
435.32632	5.0
445.23676	1.6
445.29443	14.8
453.33795	9.8
455.26151	1.3
463.30573	6.9
471.34955	10.1
475.73309	1.5
491.34915	1.2
509.36380	7.9
527.37378	100.0
528.37567	2.5
545.38458	2.0
607.33777	9.2
607.43604	3.5
625.34613	16.3
625.44495	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	625.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
54.74830	1.9
55.01867	6.4
55.05319	2.1
55.05516	22.1
55.34278	2.1
57.03427	7.3
57.07058	4.0
60.84840	2.3
65.03958	2.4
67.05506	54.3
69.03414	5.2
69.06789	1.9
69.07071	19.7
71.04977	9.7
71.53759	2.8
73.02922	2.2
79.05497	42.1
80.74649	2.2
81.03421	16.0
81.06590	3.5
81.07056	61.4
83.04977	9.7
83.08625	11.9
85.02928	4.1
85.06532	3.4
88.45528	1.9
88.53650	2.0
90.50373	2.2
91.05478	42.7
93.07045	42.4
95.04953	6.5
95.08604	28.2
97.02905	3.7
97.06531	7.6
97.10158	10.5
98.98453	7.6
99.08057	3.7
105.07038	39.8
107.04947	4.2
107.08585	26.6
109.06546	4.8
109.10166	14.6
111.04396	3.3
111.08077	3.6
115.05469	2.6
117.07007	18.0
119.08580	26.9
121.06502	5.3
121.10140	15.6
123.04475	2.2
123.08034	2.9
123.11755	3.1
125.09597	5.9
127.03928	4.7
128.06180	3.0
129.05424	3.1
129.06993	12.6
129.57043	1.9
131.08572	31.4
133.10143	19.7
135.08044	4.4
135.11688	7.4
137.38338	2.6
141.06972	5.3
142.07819	3.1
143.08562	12.5
145.10117	22.3
147.08037	3.6
147.11658	7.4
149.09590	3.1
149.13255	11.3
151.11229	2.8
153.09135	5.1
155.08546	8.3
157.10143	12.0
159.08037	3.5
159.11687	12.4
161.09494	2.6
161.13245	6.2
163.11136	3.7
169.10104	8.4
171.11703	8.9
173.11839	2.9
173.13281	6.3
173.41080	2.3
177.12791	4.5
181.10159	7.0
183.11656	6.6
185.09618	2.8
185.13289	5.3
187.14856	3.3
189.11249	2.9
191.06580	2.4
195.11763	3.7
195.13770	6.1
197.13324	3.3
199.14848	4.6
201.16280	3.7
209.13254	4.4
211.14769	3.0
213.16396	3.3
237.10406	2.2
240.58038	2.3
257.18979	2.2
269.17416	14.8
275.20071	2.8
301.25238	6.6
315.23001	3.3
343.26492	2.6
353.24734	7.0
371.25684	6.5
389.26846	7.7
413.21866	4.4
423.27692	2.8
435.32730	5.1
445.29514	100.0
446.29880	2.6
449.19421	2.8
453.33655	7.5
463.30487	38.8
471.34668	8.2
509.36081	6.4
527.37317	86.8
547.23291	4.1
575.23053	3.4
607.25201	10.7
607.34381	16.6
607.43256	4.3
625.26257	35.8
625.35168	15.5
625.44153	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	625.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43152	0.9
53.03948	2.1
55.01886	4.5
55.05516	19.8
57.03431	3.2
57.07071	2.4
58.21784	1.0
67.05510	28.5
69.03431	2.5
69.06798	0.8
69.07077	9.8
71.04977	2.7
71.06790	1.7
79.05053	0.7
79.05492	19.0
81.03417	3.0
81.07066	23.7
83.04985	3.1
83.08621	8.9
85.06538	1.9
91.05493	15.7
92.06263	1.1
93.07053	18.0
95.04956	4.2
95.08615	13.4
97.06541	3.1
97.10181	12.9
98.98478	10.6
99.08112	0.9
101.54586	0.9
102.44228	1.2
103.05476	1.2
105.07037	16.5
107.04948	3.0
107.08594	13.8
109.06519	2.3
109.10169	11.7
111.08089	2.4
115.05494	1.7
117.07024	8.6
117.93051	1.1
119.08578	13.6
121.06496	1.8
121.10174	6.2
123.08071	2.5
123.11673	3.2
125.09631	7.0
128.06273	1.5
129.06999	7.9
131.08568	14.1
133.06493	1.5
133.10152	8.7
135.08058	3.2
135.11694	3.7
137.09583	1.7
137.13255	1.3
141.07028	3.2
142.07776	1.5
143.08566	7.8
145.06473	2.6
145.10136	11.9
146.95049	1.0
147.08055	2.6
147.11710	5.6
149.09592	3.5
149.13286	1.9
153.09117	4.9
154.07710	1.0
155.01053	2.8
155.08553	5.1
156.09349	1.1
157.10132	7.8
159.08141	2.4
159.11694	5.7
161.09666	2.9
161.13243	3.7
163.11176	2.4
167.08585	1.5
169.10172	5.8
171.08069	1.2
171.10399	1.2
171.11710	5.4
173.09714	1.3
173.13283	3.5
175.14828	2.0
177.12694	1.1
181.10121	2.4
183.11690	4.8
185.13283	4.1
187.11192	1.8
187.13283	1.4
187.14845	3.2
189.11261	3.4
189.16415	1.6
195.11742	2.1
195.13762	1.3
197.13248	4.1
199.14848	3.5
201.12700	1.3
201.16466	2.4
203.17975	1.2
207.11752	1.3
209.13268	1.9
211.14828	2.7
213.16354	1.9
215.14516	1.1
223.14824	1.4
225.16350	1.5
227.12822	4.3
239.18179	1.0
241.19504	1.5
267.21094	1.6
273.18436	1.1
275.20398	1.2
281.22803	1.0
285.22052	2.6
299.23651	1.4
301.25241	10.4
327.23016	1.2
341.24722	2.7
388.15018	1.0
402.28693	1.1
417.31305	2.4
426.32941	1.1
435.32498	6.9
445.29382	4.6
453.33716	11.4
463.30560	2.4
471.34674	8.9
491.35376	1.1
509.36508	7.1
527.37366	100.0
528.37903	1.3
545.38232	1.4
607.33765	4.6
607.43396	4.3
625.25708	1.7
625.34656	28.3
625.44409	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	625.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.5
55.05508	1.7
57.03426	0.7
57.50901	0.5
67.05515	3.1
69.03461	0.6
69.07071	1.7
70.77443	1.1
72.90369	0.5
77.28330	0.4
79.05514	3.0
80.75381	0.5
81.03468	0.5
81.07063	3.4
83.05000	0.6
83.08632	0.7
91.05488	3.4
93.07060	2.8
95.04988	0.8
95.08607	2.2
97.06567	0.5
97.10193	0.7
97.42732	0.5
105.07028	1.8
107.08578	1.3
109.10164	0.7
117.07030	1.4
119.08588	1.1
121.10141	1.3
126.03693	0.5
129.07001	0.7
131.08551	1.4
133.10161	1.4
135.11710	0.6
143.08647	0.7
145.10133	1.0
147.11713	0.9
159.11664	0.7
161.13284	0.6
171.76566	0.5
172.01836	0.5
183.11836	0.6
189.11269	0.7
273.18613	0.7
275.20142	0.6
291.19614	1.7
390.18390	1.0
391.19305	1.6
403.19821	1.0
404.20258	1.4
405.20813	5.9
406.21521	1.0
417.21136	1.1
419.22461	4.2
420.22885	4.3
421.23975	2.1
433.24515	3.0
434.24710	1.8
435.18103	0.9
435.25305	0.8
447.21271	4.3
449.19647	2.9
450.20526	2.9
461.23196	0.7
463.21249	2.4
464.22339	3.1
465.22894	11.5
476.22061	0.7
477.22900	2.0
478.23596	1.2
479.24435	23.0
480.25519	2.5
487.21597	0.8
491.24301	1.8
492.25388	1.5
493.25977	6.1
505.22180	0.8
506.26602	1.0
507.28030	0.7
523.23218	0.9
527.37506	0.9
533.25281	1.7
537.25043	5.8
550.26019	1.4
551.26776	2.8
552.27307	12.9
565.28101	13.5
566.29156	1.3
607.43451	1.4
625.30225	100.0
625.44537	5.2
626.30634	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01884	0.6
55.05317	0.2
55.05518	2.6
56.79198	0.3
57.03432	0.9
62.31875	0.3
65.03937	0.3
67.05180	0.4
67.05510	5.7
69.03429	0.4
69.07082	1.5
69.83535	1.5
71.05001	0.3
79.05498	4.4
80.74159	0.3
81.03422	1.3
81.07063	5.1
81.12881	0.2
83.04974	0.8
83.08615	1.0
85.06531	0.9
91.05484	3.7
93.07045	4.6
94.21607	0.3
95.04965	2.3
95.08611	3.4
97.06553	0.6
97.10151	0.5
98.98533	0.3
103.05496	0.3
105.07040	2.8
107.04955	0.9
107.08603	2.4
109.06528	2.3
109.10172	1.3
111.08037	0.3
113.06007	1.2
117.07024	1.0
119.08578	2.6
121.06521	0.4
121.10125	1.7
123.08068	0.6
123.11691	0.4
125.09665	0.4
129.07031	0.8
131.08568	2.3
131.37106	0.3
133.06482	0.4
133.10164	1.3
135.08078	2.0
135.11693	1.1
141.15663	0.3
143.08569	1.0
145.10135	1.7
147.08087	0.4
147.11696	1.1
149.09639	0.7
149.13237	0.6
155.08617	0.5
157.10149	0.7
159.11722	0.9
161.09637	0.7
161.13258	0.6
163.11246	0.4
171.11671	0.6
173.09595	0.3
173.13310	0.6
174.04155	0.3
183.11685	0.3
193.12259	0.4
217.15919	0.5
221.13168	0.4
227.17914	0.3
245.19048	0.4
261.22098	0.6
267.15997	0.4
273.18500	3.2
291.19537	3.9
301.25272	0.3
335.25861	1.2
347.22272	0.9
376.17145	0.3
377.17471	0.9
379.19363	0.6
390.18527	0.4
391.19394	1.4
392.19986	0.8
393.20782	1.6
403.19092	0.5
405.16626	2.6
405.21014	0.9
406.17902	1.1
407.22562	4.8
418.17319	0.5
418.22159	0.4
419.18063	2.9
419.22940	1.0
420.19357	2.7
421.20172	2.6
423.22186	0.3
431.18646	0.8
433.19952	3.7
434.20984	3.0
435.21924	5.8
437.23746	0.5
445.20227	0.8
446.21066	0.7
447.22064	2.2
448.22931	0.4
449.19370	2.9
450.20255	0.4
451.25549	1.5
453.33749	0.4
459.22113	0.5
460.22702	0.8
461.23514	1.1
463.20926	2.4
464.21762	1.6
465.22891	2.5
471.35312	0.4
477.22714	1.6
478.23703	3.8
479.24939	4.0
489.22787	0.5
491.24707	2.0
493.21954	0.4
493.26230	0.3
495.23929	0.4
505.26102	1.0
510.25702	0.4
519.24658	0.4
521.25629	9.9
523.22955	1.7
527.37421	4.1
537.26086	0.9
547.27081	1.2
563.23279	0.4
565.28119	21.8
566.28357	0.9
581.27594	2.5
593.27557	0.8
597.30273	0.4
607.28961	1.3
607.43823	0.7
625.30206	100.0
625.44562	4.7
626.30328	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
67.05518	1.3
69.07068	0.6
69.21314	0.8
69.21737	1.6
79.05495	1.3
81.03431	0.4
81.07054	1.5
83.05009	0.3
83.08636	0.7
90.39375	0.3
91.05480	1.3
93.07058	1.0
95.04948	0.3
95.08632	1.0
105.07039	1.6
107.08607	0.7
109.10185	0.6
117.07039	0.4
118.38964	0.2
119.08617	1.0
121.10264	0.3
123.93749	0.2
129.06995	0.4
131.08543	0.6
135.08076	0.3
135.11646	0.3
143.08589	0.2
145.10165	0.4
147.11700	0.6
157.10193	0.4
159.11751	0.3
167.08522	0.3
169.10115	0.3
173.13289	0.3
275.20160	0.5
335.26123	0.3
375.16260	0.3
390.18375	0.4
391.19275	0.7
392.20038	0.8
404.20074	0.6
405.16351	0.4
405.21533	1.3
406.21677	0.8
407.22928	1.1
417.16681	0.5
418.17551	1.3
419.17728	1.4
419.22812	1.0
420.23392	3.0
421.24246	0.7
423.21838	0.4
431.18347	0.5
432.18918	1.4
433.19916	4.5
434.21191	1.2
435.22662	1.3
437.23486	0.8
445.20499	0.5
446.21213	1.2
447.21829	4.3
448.22821	1.7
449.19516	3.0
450.20911	0.5
451.25266	2.9
452.25900	0.4
460.22760	0.3
461.23560	0.5
463.20856	2.8
464.21851	2.1
465.22812	3.4
467.24634	0.3
476.22198	0.4
477.22922	2.5
478.23730	5.9
479.24615	8.4
491.25128	1.8
492.25601	0.6
495.24606	0.3
505.26956	1.2
506.26859	0.4
509.25595	0.7
510.26450	0.8
519.24097	0.9
521.25745	0.8
523.22803	2.2
527.37640	0.7
533.26007	0.5
534.26276	0.9
535.26587	0.6
536.20782	0.4
537.25708	1.3
541.44812	0.3
550.25958	0.3
551.26257	0.5
565.28302	25.7
566.28558	0.9
593.27618	1.0
594.27997	0.5
596.26495	0.4
597.31073	0.7
606.07739	0.3
607.25079	0.3
607.43640	0.7
625.30243	100.0
626.30762	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	625.1402
Annotation	Kaempferol 3-glucuronide-7-glucoside
Peak:m/z	Relative Intensity
59.17630	0.1
67.01858	0.2
68.99796	0.2
69.03395	0.3
69.22815	0.1
71.26768	0.3
81.03386	0.1
82.06557	0.2
85.02879	0.5
97.51778	0.1
135.04439	0.8
137.02374	0.2
153.01830	2.6
161.02258	0.2
162.47990	0.1
163.03824	0.2
171.02824	0.2
179.03310	0.2
219.10089	0.2
236.37491	0.1
241.04926	0.4
258.05280	1.2
269.04529	0.3
286.04730	4.4
287.05502	100.0
288.05786	0.9
301.07080	15.2
302.07269	0.2
449.10818	32.0
450.11136	0.5
463.13141	1.8
553.96307	0.1
625.13989	10.1
626.14233	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.14
Annotation	Kaempferol 3-glucuronide-7-glucoside
Peak:m/z	Relative Intensity
53.89288	0.1
54.27679	0.1
67.01840	0.2
68.99785	0.2
70.06549	0.1
71.54238	0.1
85.02891	0.1
96.17022	0.1
98.78845	0.1
107.04931	0.1
117.03416	0.1
128.15709	0.1
129.01880	0.1
135.04420	0.9
137.02348	0.3
137.06049	0.1
139.03841	0.3
142.71657	0.1
153.01834	3.1
159.57916	0.1
160.49911	0.1
161.02344	0.3
163.03835	0.1
171.02864	0.2
179.03369	0.2
199.03909	0.1
219.06509	0.1
227.03639	0.1
233.82887	0.1
241.04890	0.4
259.06058	0.2
263.05392	0.1
269.04462	0.3
287.05499	100.0
288.05847	0.8
301.07098	0.3
449.10815	8.4
450.11182	0.1
463.08728	10.1
464.08926	0.1
625.13989	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	625.1766
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
50.21261	0.2
53.03952	0.3
57.03440	1.8
61.02938	1.9
69.03415	0.4
69.92025	0.6
71.01368	0.2
71.05000	11.1
73.02915	0.7
75.04487	0.7
77.28457	0.1
81.03395	0.2
83.04976	0.6
85.02914	14.6
87.04472	0.3
91.03967	1.2
92.02639	0.6
93.03419	0.5
97.02890	1.2
98.21415	0.2
99.04444	0.3
102.37288	0.1
107.31755	0.1
109.02898	0.2
111.04448	0.3
121.02863	0.4
126.03173	0.3
127.03927	0.4
129.05493	3.6
129.06398	0.3
137.02377	0.2
139.03903	0.7
145.04964	0.6
147.06549	1.6
151.03888	0.5
153.01842	5.4
165.01839	0.5
190.02644	0.2
195.08577	0.2
201.05504	0.4
203.03322	0.2
217.05034	0.6
218.05788	0.4
228.04173	1.0
229.04994	2.4
243.06606	0.2
245.04553	0.6
246.05273	1.3
256.03644	0.2
257.04468	2.6
260.03174	0.4
261.07687	0.3
271.06250	0.2
273.03885	1.4
274.04742	3.7
284.03284	0.6
285.03961	3.7
286.04785	0.2
287.05518	0.7
302.04248	10.1
317.06586	100.0
318.07037	1.0
329.06583	0.3
359.07535	0.5
383.07590	0.3
413.70386	0.2
461.10406	0.2
479.11865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01860	4.7
55.05518	27.3
57.03434	3.7
57.07066	1.4
59.04991	1.3
60.16716	1.1
65.03926	1.8
67.05510	40.9
69.03423	3.7
69.07074	18.4
71.04981	3.7
79.05495	34.2
81.03419	16.2
81.07061	32.7
83.04994	3.2
83.08626	13.9
85.06546	2.1
91.04908	1.7
91.05483	31.1
93.07047	27.4
95.04965	7.8
95.08084	0.9
95.08611	24.3
97.06551	3.4
97.10182	14.0
99.08112	1.7
103.05490	2.4
105.04514	1.7
105.07040	25.5
107.04970	4.9
107.08602	21.1
109.06542	5.0
109.10161	12.6
111.08085	1.9
115.05471	5.1
117.07034	16.0
119.08585	21.6
121.06474	1.6
121.10155	7.7
123.08108	2.2
123.11695	2.7
125.09657	9.7
128.06223	3.4
129.07010	12.4
130.07791	1.3
131.04953	2.4
131.08589	18.7
133.06511	3.3
133.10150	12.3
135.08116	4.3
135.11723	5.9
137.09671	2.4
141.06966	7.9
142.07835	3.2
143.08580	14.1
145.06526	2.9
145.10141	13.7
147.08124	2.7
147.11708	7.2
149.09645	2.3
153.07030	1.8
154.07849	2.6
155.08585	10.7
156.09367	2.4
157.06540	1.8
157.10158	10.8
159.04547	1.2
159.11700	10.7
160.05180	2.0
161.06039	3.7
161.09680	3.0
161.13245	2.7
163.11191	2.0
165.07054	2.9
167.08588	8.3
168.09323	1.4
169.06412	1.3
169.10165	12.4
171.07994	1.6
171.11670	8.1
173.06068	2.2
173.09691	1.9
173.13284	5.2
175.11218	3.2
175.14833	2.0
179.08601	2.1
181.10176	8.3
183.11731	11.0
185.13220	6.3
187.14949	2.9
189.09549	1.3
189.11189	6.5
193.10217	3.3
195.11693	5.9
197.13229	9.2
199.11211	2.2
199.14929	3.8
201.16486	2.3
207.11685	4.1
209.09760	1.3
209.13214	6.0
211.14902	3.7
213.12964	1.6
213.16499	1.6
221.13412	2.5
223.14948	4.1
225.16467	3.7
227.12706	7.5
227.18013	1.5
233.13289	2.0
235.14905	2.6
237.16423	3.7
239.18066	3.7
245.13524	1.4
249.16330	2.3
251.18033	1.9
257.19086	3.0
259.20667	2.9
263.18127	1.4
271.13577	2.7
271.16983	2.2
273.18524	2.7
275.20169	6.9
289.14651	2.1
291.19516	9.1
295.20551	2.1
299.23615	1.7
305.13733	1.4
307.20593	1.4
309.22192	1.6
315.23260	2.3
335.26160	2.0
351.23257	1.6
353.03909	1.3
363.27054	2.6
365.25012	1.5
375.16864	1.3
379.30087	5.9
391.19443	2.0
393.20645	3.0
419.18762	2.8
420.19458	1.9
421.20081	2.0
430.21741	1.8
433.20847	2.2
449.19833	2.5
451.32233	2.0
461.19949	1.9
462.20407	1.5
463.21100	1.4
473.19995	1.5
475.21399	1.9
477.23215	2.4
489.19269	1.6
490.19821	1.7
499.21436	4.6
501.23175	1.6
506.27902	1.2
507.24304	1.8
513.37616	2.2
517.23029	1.8
525.35858	9.5
529.22406	2.6
531.38580	5.4
535.23785	5.5
545.21490	7.0
547.27045	2.8
549.39630	4.7
553.34760	1.8
554.36096	1.3
563.22388	10.3
573.21564	3.0
595.25812	1.3
605.23706	16.8
605.41846	18.9
623.25519	52.6
623.43103	100.0
624.26514	1.9
624.43298	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.0
55.01864	6.8
55.05516	30.7
57.03446	11.3
61.02936	3.7
63.00888	1.7
64.44656	1.8
65.03942	3.2
67.05511	58.4
67.18201	1.5
69.03438	23.0
69.07076	18.0
71.04991	8.1
73.02920	2.7
79.05499	48.0
81.03427	100.0
81.07063	68.0
83.04991	23.3
83.08627	27.6
85.02915	24.0
85.06532	3.1
91.05485	46.2
91.06020	3.3
93.07050	45.0
93.07637	2.5
95.04973	26.5
95.08612	20.6
96.00491	1.8
97.02891	16.5
97.06530	14.0
97.10176	10.6
98.21468	3.9
99.04432	3.4
99.08063	2.2
99.95477	1.6
105.07043	33.2
107.04366	2.0
107.04979	10.6
107.08614	22.5
109.02890	19.0
109.06541	6.2
109.10181	5.8
111.04469	14.8
111.08096	13.3
115.05452	3.1
117.07014	14.5
119.04959	2.3
119.08598	21.3
121.06517	5.6
121.10150	14.7
123.04464	3.0
123.08077	3.9
123.11741	4.8
125.09653	6.2
127.03954	7.5
127.29717	1.8
128.06250	2.2
129.05531	2.7
129.06999	15.0
131.04932	2.3
131.08591	17.1
133.06528	5.9
133.10136	14.4
135.04466	2.6
135.08055	4.1
135.11723	8.0
141.06967	2.6
143.08595	6.0
145.06525	7.7
145.10130	9.7
147.04436	2.6
147.08076	5.9
147.11699	20.7
149.09665	6.0
149.13277	10.8
153.03569	1.7
153.12727	1.8
155.08578	4.3
157.10155	11.6
159.08087	3.7
159.11710	7.1
163.11205	5.0
165.12852	4.6
169.10181	2.0
171.11647	2.3
173.04620	2.1
173.09689	2.4
173.13342	2.6
175.07513	1.8
175.11162	9.4
177.12788	4.5
179.14313	1.7
181.12294	2.5
187.07616	2.2
187.11230	2.2
191.10699	3.9
193.12253	23.7
195.13847	8.6
199.11197	2.4
211.13303	45.2
216.65665	1.8
227.12845	5.7
228.60535	1.8
235.13377	4.1
249.14987	2.6
259.13364	2.6
267.16016	15.7
269.17563	16.1
277.14279	3.9
285.17139	6.6
301.14441	2.3
318.53357	1.9
321.17157	5.8
339.18216	7.0
343.22690	4.6
355.17700	2.7
369.24313	6.4
375.17728	2.6
377.19803	2.9
395.20889	8.4
411.20319	3.2
413.21790	2.4
417.26578	3.4
435.27518	6.6
443.27954	9.5
461.29050	44.5
472.95364	2.3
473.28888	1.9
479.29965	16.1
485.29208	2.0
495.29285	4.0
503.30273	6.3
527.29919	2.9
531.30737	2.1
545.31061	3.7
551.30707	2.0
569.31384	4.2
587.32135	8.0
605.33301	17.0
623.34302	94.0
624.34717	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	623.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	8.2
53.17862	1.0
55.01876	5.3
55.05516	17.9
57.03443	10.5
60.06459	0.9
61.02932	1.7
65.03940	3.2
65.31192	1.2
67.05511	46.8
68.12803	1.0
69.03436	13.0
69.07076	14.1
71.04997	8.8
71.33461	0.9
73.02902	1.5
79.05502	32.5
81.03426	71.5
81.07063	56.9
82.63306	1.0
83.04986	16.6
83.08625	19.1
85.02917	15.4
85.06539	2.5
87.04463	1.4
89.26293	0.9
91.04913	1.3
91.05489	32.8
93.07054	42.5
93.30937	0.9
95.04985	18.6
95.08620	19.0
97.02895	15.8
97.06547	9.2
97.10178	5.7
99.04456	4.3
99.08118	3.0
105.04534	1.4
105.07042	18.9
107.04948	5.2
107.08603	24.0
109.02889	15.4
109.06508	4.9
109.10149	4.9
111.04471	10.8
111.08096	9.3
115.05491	2.1
117.07019	10.7
119.08602	12.9
121.06537	4.9
121.10145	16.7
123.04441	1.2
123.08108	1.4
123.11735	2.1
125.09647	3.6
127.03919	8.4
128.06227	1.9
129.07019	7.1
130.07826	1.0
131.04988	1.0
131.08594	13.4
131.26520	1.0
133.06476	2.6
133.10153	9.9
135.08095	2.8
135.11719	5.9
137.09647	2.1
141.06952	2.0
142.07753	1.2
143.08600	1.5
145.06522	2.5
145.10143	3.6
147.08075	2.7
147.11697	12.7
149.05945	1.5
149.09578	5.6
149.13251	13.0
151.11214	1.1
153.12779	3.3
155.08574	1.8
157.06509	1.2
157.10141	8.6
158.60857	1.1
159.10530	1.6
159.11668	7.4
161.09660	1.1
161.13319	1.1
163.11209	4.3
165.12785	3.2
169.10167	1.6
171.08099	1.3
173.04504	2.7
173.13277	1.1
175.11209	6.3
177.12767	3.5
181.12292	3.7
183.11760	1.6
185.09686	1.0
189.11227	1.7
191.10674	3.4
193.12277	23.5
195.12094	2.1
195.13707	7.2
209.11723	1.7
211.13303	43.8
211.15277	2.2
213.12845	1.4
213.14868	1.6
223.40297	1.1
227.12787	5.7
229.14430	1.6
235.13371	1.1
249.14923	1.8
267.15985	8.5
269.17551	9.2
273.14868	1.2
283.15649	2.0
285.17093	2.9
301.14368	2.5
303.15738	1.8
319.15656	1.7
321.17050	2.0
337.16513	3.9
339.18137	4.1
351.23312	1.5
355.17593	9.0
369.24274	3.5
387.25327	3.0
393.18936	2.0
395.21198	2.3
405.26251	1.3
411.20172	6.0
433.29321	2.2
435.27643	3.1
443.27991	3.7
461.28992	23.8
479.30008	15.2
480.91486	1.3
495.29294	1.7
503.30432	2.1
545.31091	2.0
569.31451	1.4
587.32135	2.6
605.33301	9.1
623.34314	100.0
624.34760	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
55.01862	4.6
55.05515	15.7
57.03451	6.5
57.81570	1.4
61.02928	18.3
65.03936	1.8
67.05507	35.4
69.03415	5.8
69.07072	11.7
70.69775	2.5
71.04975	4.3
73.02941	6.5
77.03953	1.7
77.10376	1.3
79.05497	31.3
81.03430	13.6
81.06590	2.1
81.07059	32.6
83.04976	6.0
83.08610	12.1
85.02908	15.7
85.06546	2.5
85.67833	1.3
89.84863	1.4
91.03958	9.0
91.05487	35.8
91.53026	1.5
93.03484	1.2
93.07049	25.9
95.04979	7.9
95.08603	20.3
97.02883	11.3
97.06530	5.7
97.10175	3.2
99.04424	1.9
99.08060	2.5
103.05478	3.2
105.03328	1.5
105.07031	31.3
107.04932	4.9
107.08593	13.8
109.02858	3.3
109.06502	5.6
109.07202	1.1
109.10164	7.8
111.04382	2.9
111.08073	5.2
115.05453	3.5
117.07018	24.7
119.04914	1.9
119.08584	16.7
121.06516	5.0
121.10170	8.2
123.08048	4.3
123.11681	1.6
125.09659	2.8
127.03910	3.9
128.06230	4.0
129.07010	28.6
130.07817	1.8
131.04907	1.9
131.08580	30.1
133.06511	7.6
133.10143	10.8
135.08044	3.8
135.11674	5.5
137.09656	2.2
141.06984	10.9
142.07814	2.3
143.08575	23.6
145.06480	7.0
145.10132	15.2
147.08051	5.7
147.11684	4.6
149.09595	3.9
149.13271	2.1
151.11124	2.0
153.07005	1.8
155.08565	19.6
156.09291	2.6
157.06500	2.3
157.10155	12.3
159.08054	3.5
159.11703	9.6
161.09657	1.9
163.11151	2.3
167.08571	8.8
168.09349	2.6
169.10123	13.2
171.08018	2.0
171.11685	8.5
173.09665	3.2
173.13223	3.7
175.11241	2.8
177.12801	3.0
179.08597	2.9
181.10127	7.5
183.08141	1.4
183.11719	8.6
185.09622	2.1
185.13324	7.2
187.11214	4.2
187.14822	2.3
193.10143	3.8
193.12224	4.0
195.11728	7.8
195.13353	1.6
197.09616	2.0
197.13274	6.8
199.11127	2.8
199.14876	2.7
203.14322	1.7
207.11754	3.2
209.13287	6.1
211.11406	1.8
211.13264	5.1
211.14856	4.8
213.12804	2.2
215.14275	4.9
219.11797	2.4
219.13771	1.6
221.13249	5.8
223.14828	4.5
225.12694	3.4
225.16461	2.1
227.14464	2.2
229.15981	2.3
235.14949	2.2
239.14352	5.6
243.13730	2.0
244.85429	1.4
249.16559	2.6
253.15924	3.2
257.15472	2.4
271.16934	3.2
298.04517	1.6
305.22665	2.2
315.21027	1.8
323.23651	4.8
325.21741	1.5
331.18881	1.4
333.22119	11.4
341.24640	6.0
351.23221	35.2
369.24237	25.1
387.25443	16.5
420.41226	1.5
425.26819	5.5
433.29477	2.7
441.26859	1.3
443.27939	100.0
461.29013	73.5
479.30139	2.7
485.29138	1.7
496.36102	1.6
587.31879	2.0
605.32892	2.7
623.25708	1.8
623.34375	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	623.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.4
55.93827	0.2
57.07079	0.2
58.38058	0.2
64.46107	0.2
67.05506	1.1
68.69405	0.2
69.27949	0.6
69.28365	1.5
71.05038	0.2
79.05497	0.9
81.07060	1.1
83.05007	0.3
83.08620	0.4
84.66930	0.2
91.05491	0.6
93.07043	0.8
95.04980	0.4
95.08604	0.8
97.06577	0.2
98.20785	0.4
105.07036	0.9
107.08598	0.3
109.06549	0.4
109.10151	0.3
117.07069	0.3
119.08587	0.6
120.08120	0.2
120.19094	0.2
121.10126	0.3
131.08592	0.3
133.10123	0.2
145.10150	0.4
157.10129	0.3
208.09984	0.2
211.10359	0.2
221.10867	0.2
251.90567	0.2
275.20105	0.4
286.13306	0.2
302.16495	0.2
324.15094	0.2
359.97205	0.2
376.16928	0.3
377.17719	0.5
378.09018	0.3
389.17792	0.5
390.18091	0.5
391.19241	1.6
392.20178	0.9
393.20709	0.4
394.68900	0.2
403.19104	0.7
404.15848	0.5
404.20096	0.7
405.16727	0.6
405.21277	2.5
406.21750	2.1
407.22491	2.3
417.16736	0.4
417.21399	0.4
418.17514	2.6
419.18024	3.7
419.23270	0.9
420.23495	4.8
421.23981	2.9
432.18896	2.3
433.20123	9.0
434.20865	2.9
435.21951	0.9
445.20529	0.3
446.21054	1.6
447.22174	6.6
448.22849	5.4
449.23715	3.4
460.23053	0.6
461.19257	0.7
461.23721	0.8
462.20023	1.2
463.21329	2.3
464.22583	0.3
475.21463	1.5
476.22000	4.9
477.22931	6.6
478.23892	0.4
479.24500	0.6
489.22870	2.6
490.23679	0.5
491.24258	0.7
493.26297	0.6
503.24329	1.6
505.22675	0.9
506.22626	0.3
507.27551	0.7
508.24661	0.7
511.37912	0.3
519.24017	0.9
520.24908	0.4
521.22211	1.4
531.23932	0.4
534.26709	2.7
535.27441	4.5
548.24121	0.4
551.26654	0.3
563.26544	27.1
564.26794	0.9
565.24463	0.6
579.25385	0.3
580.26697	0.3
591.25867	0.9
594.28778	1.4
595.29315	1.1
623.28656	100.0
624.29242	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69360	0.2
55.05525	0.4
67.05502	0.5
70.11373	0.4
70.11762	0.3
79.05499	0.6
81.07047	0.6
91.05487	0.7
93.07039	0.7
95.04958	0.3
95.08595	0.4
98.21474	0.2
105.07033	0.3
106.06546	0.5
107.08623	0.3
109.10168	0.3
111.13602	0.2
119.08592	0.3
120.08092	0.4
131.08572	0.2
145.10121	0.3
155.10660	0.2
160.77515	0.2
161.09660	0.2
162.85603	0.2
171.09177	0.2
183.09088	0.2
197.10834	0.2
200.55713	0.2
204.06595	0.3
209.10753	0.6
211.12323	0.3
216.39574	0.2
219.09642	0.2
221.10799	0.2
223.12341	0.4
224.13150	0.5
225.10257	0.3
230.20035	0.2
235.12344	0.2
237.10368	0.3
239.11829	0.2
249.10344	0.4
251.11807	0.4
277.09866	0.3
285.12436	0.3
311.14377	0.4
312.15057	0.3
314.12949	0.4
314.16486	0.3
326.13156	0.3
328.14548	0.3
340.14569	0.3
342.16083	0.3
348.14270	0.2
354.16071	0.3
370.15598	0.2
373.14996	0.3
375.16251	0.5
376.16989	0.3
377.17648	0.4
388.16760	0.2
389.17908	0.6
390.18643	0.9
391.19431	1.7
392.20108	0.3
393.20789	0.6
401.17703	0.4
402.18292	0.4
403.19955	0.9
404.15985	0.5
404.20206	0.7
405.16916	0.6
405.21530	1.9
406.21735	1.2
407.22397	0.8
414.74286	0.2
415.19342	0.3
416.19968	0.6
417.17050	1.1
417.21045	1.0
418.17209	1.1
419.18628	2.6
419.22720	1.7
420.18817	0.4
421.24146	2.1
429.16479	1.1
430.17435	0.4
431.18558	1.3
431.22736	1.2
432.19016	1.2
433.19992	3.6
434.20972	1.0
435.21701	1.3
443.18472	1.0
444.19388	1.0
445.20319	3.4
446.21222	1.3
447.17346	1.0
447.22797	3.4
448.22891	1.5
449.23444	5.0
450.24286	0.4
457.20383	0.6
458.21167	1.5
459.22058	2.0
460.22879	0.5
461.19870	2.5
462.19843	1.0
463.21271	1.8
465.22952	0.3
473.23889	0.3
475.20682	1.7
476.22034	5.3
477.22989	4.7
478.23608	0.4
489.23199	2.7
490.23795	0.8
493.22299	0.4
503.25256	1.4
504.25739	0.5
505.22549	0.7
506.22885	0.4
507.23120	0.3
508.25037	0.3
517.22339	0.4
519.23730	0.8
520.24774	0.4
521.21442	1.3
522.26385	0.3
531.23926	0.6
533.25684	2.9
534.24988	0.2
535.27496	4.4
545.25531	1.4
548.24445	0.3
549.24774	0.2
563.26532	19.9
564.27136	0.7
576.23883	0.3
591.26105	1.0
593.27863	0.9
595.28882	1.0
605.27710	2.4
606.28882	0.3
623.28644	100.0
624.29095	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
54.66769	0.2
55.01874	0.5
55.05503	1.1
57.03463	0.3
65.03961	0.3
67.05508	2.2
67.83718	0.3
69.03407	0.3
69.07080	1.2
70.53793	0.5
70.54155	0.3
73.86775	0.2
79.05487	2.0
81.03426	0.7
81.07069	2.3
83.04987	0.3
83.08606	0.6
91.05460	1.9
93.07045	1.4
95.04999	0.5
95.08607	1.4
97.06515	0.7
97.10195	0.6
105.07055	2.1
107.08608	0.9
109.06486	0.3
109.10171	0.7
117.07027	0.9
119.08607	1.1
121.10162	0.3
125.09658	0.6
129.07027	0.5
131.08595	0.9
133.10139	1.0
135.11749	0.3
143.08580	0.7
145.10176	0.7
146.81058	0.3
147.11670	0.6
155.08621	0.3
157.10124	0.6
159.11810	0.4
161.09691	0.3
169.10165	0.6
169.21257	0.2
171.11664	0.5
179.14516	0.2
183.11731	0.5
185.13385	0.4
208.30794	0.3
209.10710	0.3
227.12741	0.4
257.19022	0.3
275.20111	1.2
284.19788	0.3
291.19644	0.4
300.15125	0.3
332.66028	0.3
375.15994	0.4
379.30240	0.3
387.15991	0.5
388.16980	0.5
389.17844	1.2
390.18332	0.4
391.19235	0.8
401.17575	0.5
402.18564	0.7
403.14813	0.3
403.19519	1.7
404.20078	1.2
405.20850	1.6
406.21652	0.3
414.19107	0.4
415.19659	1.4
416.20001	1.0
417.16989	2.0
417.21912	2.1
418.17322	0.4
418.22101	0.5
419.22638	5.2
420.23209	0.5
423.74713	0.3
428.16110	0.3
429.16586	0.5
429.21658	0.6
430.17923	1.0
431.18604	2.3
431.22751	2.2
432.19083	1.5
433.20419	1.9
435.21771	0.5
442.17633	0.6
443.18573	3.0
444.19455	1.2
445.20184	8.1
446.20953	5.2
447.22113	5.2
449.23874	1.3
450.24161	0.5
457.20413	1.0
458.21060	1.0
459.21838	3.5
460.23038	0.5
461.19763	0.9
462.20230	1.5
463.21249	2.1
473.23834	0.6
475.21210	1.9
476.22070	5.0
477.22952	5.6
478.24048	0.6
489.22977	2.0
490.23203	0.7
491.20197	0.7
501.23013	0.4
503.24896	0.6
505.21777	0.5
505.26822	0.6
508.24612	0.4
521.21167	1.5
525.35852	1.0
533.25592	15.0
534.25891	0.5
535.27216	0.8
545.25537	1.1
548.24335	0.4
561.25262	0.4
563.26575	18.7
564.27124	0.5
565.28308	0.6
591.26263	0.6
592.26508	0.5
593.27698	4.0
594.25024	0.4
595.29816	0.3
605.27179	1.2
605.42267	0.6
623.28680	100.0
623.42816	2.8
624.28583	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08414	0.3
55.01852	0.3
55.05509	0.8
57.07072	0.3
59.27645	0.3
59.96464	0.3
67.05499	1.1
69.07062	0.4
69.33037	0.3
69.50269	0.3
69.51764	1.5
69.52171	0.6
70.47016	0.3
77.70463	0.3
77.94081	0.3
78.63832	0.3
79.05490	1.0
81.03401	0.4
81.07045	1.4
83.04997	0.3
83.08618	0.5
91.05483	1.5
93.07043	1.2
95.04990	0.6
95.08594	0.8
97.10152	0.4
98.21487	0.5
105.07015	1.0
107.08580	0.8
109.06555	0.3
109.10226	0.4
117.07007	0.6
119.08590	0.8
121.10188	0.4
131.08577	0.7
133.10072	0.3
135.08058	0.3
135.11635	0.4
143.08560	0.7
145.06503	0.3
145.10085	0.5
157.10173	0.3
176.65509	0.3
189.11302	0.3
258.15817	0.3
266.55078	0.3
271.16968	0.9
274.84018	0.3
298.13797	0.3
319.85959	0.4
322.13660	0.4
357.42108	0.3
374.14966	0.4
375.16571	0.3
387.16083	0.3
388.16959	0.4
389.17596	3.7
390.18713	1.0
391.19144	2.8
392.20004	0.4
402.18384	0.6
403.19498	2.9
404.20148	1.6
405.15842	0.5
405.20828	9.0
406.21600	1.1
415.19409	0.4
416.20197	0.7
417.16483	5.9
418.17471	2.4
419.18350	3.7
431.18283	5.3
431.23483	0.4
432.19345	6.6
433.20193	9.5
434.21100	0.6
435.21869	0.7
443.18411	0.5
444.19470	0.6
445.20404	3.1
446.21201	0.8
447.17236	0.4
447.22525	0.6
449.24020	1.6
450.24051	0.4
458.21066	0.4
459.21759	1.5
461.19135	2.0
462.20435	1.1
463.21066	2.2
464.21988	0.5
465.22937	0.4
475.20917	1.8
476.22159	3.9
477.23529	4.4
478.23892	0.6
487.21075	0.5
489.22925	1.3
491.24493	0.8
503.24725	0.4
505.22516	0.5
511.37894	0.6
519.23889	22.9
520.24658	0.7
521.22327	1.0
525.35590	0.4
533.21637	0.4
533.56348	0.4
534.26990	0.4
535.27374	0.7
545.25513	0.5
547.23376	0.8
551.26654	0.6
563.26514	17.0
564.26636	0.4
579.25989	5.1
591.26331	0.4
595.29053	0.9
623.28619	100.0
624.28766	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43430	0.3
52.36081	0.2
68.87012	0.2
74.21967	0.2
75.52283	0.2
85.89319	0.2
93.40093	0.2
103.86906	0.2
113.08473	0.3
147.17389	0.2
193.95360	0.2
209.10732	0.4
223.12302	0.2
224.13042	0.3
237.13841	0.2
249.13864	0.3
251.15651	0.5
264.72455	0.2
289.17404	0.2
312.14590	0.3
376.17130	0.5
377.17734	0.7
378.18668	0.5
389.18784	0.6
390.18637	0.5
391.19208	1.7
392.19922	1.4
393.20569	1.3
399.15955	0.4
400.16895	0.5
401.17667	0.5
402.18872	0.3
403.19696	0.6
404.20386	0.8
405.20789	2.9
406.21533	2.5
407.22308	6.6
407.27402	0.4
413.17783	0.5
414.18665	0.8
415.19199	1.4
416.20068	0.3
417.21262	0.6
419.22989	1.2
420.23206	1.5
421.23950	8.2
421.29639	0.4
422.24704	2.1
427.19366	0.6
428.20038	0.8
429.15976	0.3
429.21017	3.1
430.22061	0.6
431.18542	0.6
432.19543	0.5
433.19989	0.9
433.24310	0.9
434.24890	0.3
435.21457	0.4
435.26443	0.3
442.21872	0.5
443.22870	2.1
444.23297	1.3
445.20386	1.2
446.20813	0.4
447.17511	0.4
447.22604	0.6
448.18710	0.5
449.22888	0.4
449.28018	0.4
452.22577	0.3
456.19159	0.4
457.24808	1.3
458.25180	1.6
459.21860	2.7
460.23260	1.1
461.18948	3.2
462.20642	0.8
462.97482	0.2
463.21417	0.7
470.21082	0.7
471.17560	0.3
471.22562	0.5
472.22736	2.0
473.18661	0.4
473.24200	0.7
474.20825	0.7
475.21158	4.6
476.21820	3.9
477.22464	2.1
478.23825	0.5
483.17911	0.4
484.19135	0.4
485.23666	4.7
486.20795	1.6
487.21021	0.5
487.25223	0.3
488.22110	1.0
489.22919	2.7
493.26511	0.4
499.21246	5.4
500.22253	1.3
502.23340	0.4
503.24686	5.9
504.21262	0.6
504.25870	0.6
505.22174	0.7
507.24136	0.7
508.28760	0.7
513.22809	1.7
514.23865	0.8
515.24469	1.0
517.25739	1.9
518.23468	0.3
521.25696	1.0
529.26019	0.7
530.23389	0.3
531.24097	0.7
535.27203	5.6
536.27734	0.5
545.25500	23.0
546.26007	0.4
549.25085	0.3
562.25635	0.5
563.26709	1.1
564.27344	1.4
573.25006	7.0
577.28345	1.3
591.26324	2.2
605.27618	13.6
606.28088	0.5
623.28656	100.0
624.28943	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43265	0.2
63.84929	0.2
69.72369	1.2
71.33757	0.2
81.07033	0.3
85.73872	0.2
95.07153	0.2
98.95206	0.2
135.52290	0.2
223.12315	0.3
259.94559	0.2
328.86951	0.2
340.44220	0.2
375.16135	0.4
376.16797	0.2
377.17560	0.3
387.16302	0.4
389.17642	0.7
390.18509	0.5
391.19098	1.4
392.20062	0.4
401.17819	0.7
402.18451	0.6
403.14771	0.2
403.19418	1.6
404.20056	0.8
405.16315	0.2
405.21188	2.0
406.21796	0.3
407.22409	1.1
413.18539	0.2
414.18863	0.3
415.19766	1.3
416.20001	1.0
417.16428	0.6
417.21710	1.9
418.17596	0.6
418.22202	0.5
419.17697	0.5
419.22772	3.1
420.23306	1.1
429.17010	0.7
429.21552	0.5
430.17044	1.8
431.18030	3.2
431.23618	0.4
432.18448	1.1
432.24039	0.5
433.20193	5.0
434.20737	0.5
435.21725	0.5
443.18027	1.8
444.18890	1.6
445.19910	4.8
446.21176	2.8
447.21838	4.2
447.26791	0.3
448.22632	1.1
449.23788	0.5
457.20282	0.9
458.20944	5.7
459.21826	4.8
460.22839	4.2
461.19797	0.9
462.20587	0.4
463.21509	2.4
471.21942	0.3
472.22968	0.6
473.23840	1.2
475.21075	1.1
476.21909	1.4
477.22971	1.8
478.24106	0.2
485.23322	0.3
486.24429	0.3
487.25333	0.4
489.23544	0.6
490.23840	0.5
491.24683	0.6
501.23297	0.4
502.23782	0.3
503.24469	0.8
504.25201	0.5
505.22614	0.9
507.26379	0.2
513.22736	0.3
517.21906	1.1
518.23126	4.0
519.23694	0.4
521.21533	1.5
530.23322	0.5
531.23981	0.8
532.24963	0.8
533.25537	8.4
534.25507	0.4
535.26660	1.9
545.25336	2.2
546.26105	1.0
563.26544	7.3
573.25159	0.7
577.27954	0.9
591.26056	0.6
605.27625	10.5
623.28625	100.0
624.29010	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13180	0.4
68.59066	0.4
69.67312	2.3
75.27754	0.4
79.89018	0.4
83.51842	0.4
89.05969	0.5
105.03734	0.4
108.19801	0.4
108.31136	0.4
112.04113	0.4
151.55324	0.4
245.86511	0.4
323.84286	0.4
376.16937	0.9
377.17642	1.1
379.19864	0.4
388.18207	0.9
389.18451	0.5
390.18665	0.5
391.19540	2.1
392.19974	1.7
393.20721	0.9
399.16177	0.7
400.16858	0.7
401.17743	1.5
402.19495	0.4
404.20929	1.1
405.20749	3.0
406.21454	3.0
407.22336	9.6
413.17709	1.6
414.18408	1.7
415.19168	3.0
416.20059	0.6
417.20779	0.7
419.22586	1.1
420.23288	2.0
421.23944	8.7
422.24683	2.9
427.19333	1.6
428.20032	2.5
429.15796	0.7
429.20868	9.0
430.21890	2.1
431.17926	0.6
431.22797	0.6
433.15561	0.7
433.24216	1.2
434.25165	0.6
441.21515	0.9
442.21445	1.5
443.22729	5.3
444.23370	3.4
445.19757	1.1
447.17899	1.2
449.23459	0.9
455.18552	0.7
456.19464	1.3
457.23941	2.7
458.25043	5.3
459.21945	6.1
460.22388	1.3
461.18735	2.5
462.20471	1.3
463.21457	0.9
470.21265	1.5
471.21799	1.6
472.22604	6.1
473.23080	2.2
475.20837	3.5
476.21729	3.9
477.22781	3.0
478.24335	0.6
485.23627	9.0
486.20444	2.8
486.24423	1.7
487.21451	1.4
488.22052	1.5
489.22723	2.5
493.25928	0.5
498.20557	0.5
499.21442	3.5
500.22141	1.3
501.22626	0.5
502.23657	1.0
503.24609	6.1
504.23624	0.5
507.23627	0.6
508.28476	0.9
513.23053	2.9
514.23816	1.4
515.24622	0.9
517.26276	6.6
521.25372	0.6
529.26068	1.4
531.23358	0.8
535.27393	4.9
545.25519	68.9
546.25793	1.8
549.24835	0.6
558.22766	0.8
559.24097	0.6
562.25525	0.8
563.26227	0.8
564.27509	1.4
573.24988	15.9
574.24951	0.7
591.26086	1.6
605.27612	82.4
606.27966	1.7
623.28668	100.0
624.28937	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
52.20855	1.3
55.05510	1.3
57.07062	1.4
67.05522	2.9
69.07043	1.5
69.96210	2.5
69.96621	4.2
79.05493	2.1
81.03457	1.5
81.07065	3.4
91.05484	2.9
93.07034	1.4
105.07097	1.5
107.07134	1.1
107.08571	2.2
117.07035	2.5
119.08579	2.0
127.47837	1.2
131.08604	1.2
151.42903	1.3
204.05338	1.2
208.92603	1.3
271.17001	2.6
275.20074	1.4
279.95932	1.3
312.26489	1.1
415.19461	1.7
429.20917	4.9
431.18488	1.7
433.24438	1.8
443.22531	3.3
444.23218	3.5
445.24411	1.7
447.21960	2.2
456.19485	1.4
457.19775	1.6
458.25113	2.2
459.21893	4.7
460.22964	1.3
461.24094	2.7
462.20639	2.3
472.22827	3.6
473.23413	2.9
477.22873	5.2
480.68738	1.4
485.23422	4.6
486.24448	1.3
487.25003	6.0
503.24557	1.9
505.22491	1.4
517.26208	3.2
520.25464	1.3
531.24097	4.7
535.26764	1.6
545.25519	48.6
546.26154	2.4
563.26459	24.9
591.25922	1.7
605.27606	13.3
623.28644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	0.2
68.80032	0.2
70.07513	0.5
79.68155	0.2
81.07008	0.3
89.33112	0.2
91.05476	0.2
93.02979	0.2
93.06961	0.2
95.08575	0.2
98.21516	0.3
121.46542	0.2
148.57765	0.2
234.11168	0.2
235.12268	0.2
237.13928	0.2
251.15210	0.2
254.37987	0.2
281.37387	0.2
307.52469	0.2
370.04800	0.2
375.16684	0.3
376.17316	0.2
377.39951	0.2
384.14349	0.2
389.17780	0.2
390.18973	0.4
391.19333	0.4
397.15845	0.2
399.15933	0.4
400.16974	0.4
400.72382	0.2
401.17636	0.6
402.18796	0.4
403.19229	0.6
404.20599	0.7
405.20914	0.5
411.17700	0.2
412.17871	0.2
413.17969	0.8
414.18628	1.4
414.23438	0.3
415.19385	1.7
416.20288	0.9
417.21011	0.6
418.21951	0.4
419.17715	0.4
419.22278	1.1
427.19611	0.9
428.20126	1.3
429.20862	6.0
430.22113	1.4
431.17944	1.4
432.19452	0.6
433.19028	0.5
433.23941	1.4
434.20834	0.8
435.21530	0.4
442.21616	0.6
443.22620	3.5
444.23581	2.8
445.18958	0.4
445.23917	1.5
446.21246	0.2
447.22656	1.8
448.22287	0.4
449.23383	1.6
455.18665	0.3
456.19397	0.8
457.19714	1.2
457.24121	1.4
458.25143	3.0
459.21490	4.1
460.23071	2.1
461.19122	1.2
461.23483	2.0
462.20453	1.7
463.20959	0.5
470.21115	0.5
471.22025	1.2
472.22708	3.8
473.23813	2.7
474.20541	0.8
475.20816	1.3
476.21625	1.8
477.22888	3.0
485.23456	5.5
486.24164	1.2
487.25223	4.0
488.22244	0.7
489.23154	1.0
490.23703	0.3
502.23819	0.4
503.24628	2.5
504.25180	0.5
507.23831	0.4
513.22534	0.4
516.21350	0.2
517.26385	3.3
518.23309	0.2
519.24457	1.0
520.24805	0.9
521.21295	1.0
527.24323	0.3
531.23926	4.5
532.24579	0.4
535.26056	0.8
545.25519	47.5
546.26263	1.3
548.24261	0.4
563.26459	11.4
564.27277	0.4
573.25421	0.3
577.28363	0.8
591.25928	0.7
595.28809	0.4
605.27576	4.6
623.28613	100.0
624.29065	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.2
67.05515	0.3
71.03247	0.5
71.03596	0.5
214.88193	0.3
234.36568	0.2
375.16272	0.6
376.16904	0.5
390.18506	0.7
391.19443	1.0
402.18399	0.4
403.19339	0.4
404.16019	0.5
404.20779	0.4
405.20966	2.6
405.25821	0.4
406.21494	0.6
408.22983	0.6
414.18442	0.4
415.19272	1.0
416.20267	0.4
417.21198	0.4
418.17612	0.6
419.17828	1.3
419.23361	0.5
420.23053	1.0
428.19980	0.7
429.20782	1.8
433.19839	2.4
435.22040	0.4
443.22449	1.2
444.23282	1.1
445.20059	0.4
446.17337	0.9
447.17914	7.5
448.22806	2.7
449.23517	2.2
452.22220	0.6
457.24954	0.4
458.24954	0.6
459.21515	2.7
460.22992	1.3
461.19370	6.1
462.20352	0.7
463.21204	0.8
471.21786	0.4
472.22791	1.8
473.23840	1.2
475.21127	1.6
476.22070	19.5
477.22839	2.6
479.20844	1.5
485.23560	2.2
486.24127	0.4
487.25653	1.7
489.19107	0.6
490.23694	0.4
491.24603	0.4
503.24835	1.4
508.24893	0.4
517.26056	1.1
519.23877	2.1
521.21869	0.5
531.24036	3.1
545.25488	12.8
546.25818	0.7
547.27045	0.8
549.25525	0.4
563.26453	9.0
573.25763	0.3
591.26190	1.5
605.27734	2.5
623.28619	100.0
624.28766	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.1
55.01872	9.2
55.05512	24.0
57.03437	8.4
58.98113	1.3
61.02907	1.7
67.05508	29.5
69.03422	15.5
69.07077	9.9
69.19694	12.4
71.04990	8.2
73.02911	2.5
79.05494	38.3
81.03421	100.0
81.07055	38.5
83.04981	15.3
83.08620	20.3
85.02908	23.3
85.06572	1.8
91.05484	40.1
93.07041	27.1
95.01315	1.5
95.04971	46.6
95.08621	17.1
97.02906	18.1
97.06528	5.8
97.10155	10.2
99.04469	5.6
99.08110	2.2
103.03946	1.9
103.05478	2.3
105.04509	1.6
105.07035	26.5
105.07700	2.6
107.04970	14.3
107.08600	15.3
109.02886	14.9
109.06542	6.9
109.10170	6.8
111.04439	10.7
111.08080	7.9
113.05980	2.2
115.05472	3.9
117.07025	11.2
119.04947	5.5
119.08582	22.6
121.02901	1.7
121.06507	13.1
121.10155	9.7
121.99913	1.2
123.04432	13.5
123.08076	5.8
123.11726	3.3
125.05935	1.5
125.09631	8.6
127.03915	9.7
128.06247	4.2
129.05501	2.5
129.07002	16.0
131.03441	2.1
131.04916	8.7
131.08553	15.3
133.06494	8.7
133.10139	10.5
135.04431	2.7
135.08067	6.2
135.11687	5.4
137.05974	3.3
137.09648	2.7
141.06981	3.7
142.07774	4.1
143.08588	6.8
145.06494	10.7
145.10165	8.7
147.04416	7.0
147.08044	8.3
147.11681	14.8
149.05994	5.1
149.09628	6.3
151.07384	1.6
151.11179	3.0
153.06993	1.7
153.12755	2.3
155.08600	4.0
157.06499	3.6
157.10120	11.2
159.08078	4.3
159.11725	3.7
161.05984	6.5
161.09639	4.7
163.03902	1.3
163.07509	1.8
163.11189	10.6
165.09096	7.1
165.12758	5.4
169.06587	1.9
169.10188	2.5
171.04453	1.4
171.08011	6.3
171.10300	1.5
171.11728	4.5
173.04468	5.1
173.06004	5.2
173.09671	4.6
175.07558	1.6
175.11211	12.2
177.12762	1.4
181.10127	2.5
181.12248	3.5
183.08125	2.8
183.11691	2.0
185.06104	3.2
185.09586	2.9
185.13277	2.7
187.07599	3.2
187.11197	1.6
189.05516	5.1
189.09169	2.1
189.11226	3.1
189.12790	3.8
191.10771	2.7
193.12256	28.3
195.08052	1.4
195.11736	2.7
199.11200	3.1
203.10713	2.1
205.12341	3.3
211.11328	1.7
211.13261	29.8
213.12720	2.1
217.12268	1.8
223.13245	2.4
225.12859	1.5
227.12833	5.1
231.13850	2.8
235.13191	6.9
237.12854	1.9
243.13847	1.8
247.13339	2.0
249.09102	1.5
249.14990	3.1
255.13914	3.4
259.13293	4.6
265.12109	1.7
267.15970	11.8
271.13364	1.6
273.14859	15.8
277.14346	3.1
283.13254	3.1
285.17169	9.0
289.14499	1.8
291.15820	1.8
297.15070	1.4
299.16412	1.5
301.14352	21.7
301.17593	1.6
303.15872	3.7
311.16339	2.1
313.16708	1.5
319.15408	10.0
323.16211	2.1
333.16843	1.4
337.16583	4.6
349.21661	1.6
355.17548	1.8
357.16849	1.7
357.24139	2.5
367.22821	5.4
375.17972	7.4
385.23767	9.2
393.18854	7.4
403.24686	5.6
409.23694	1.6
411.20065	2.5
433.25098	1.3
441.26352	3.6
447.25247	1.4
459.27469	16.5
465.26318	2.3
475.25064	3.1
477.28574	5.8
483.27838	2.0
493.26074	3.8
501.28564	5.2
511.26715	1.8
513.28839	1.5
525.28442	1.7
529.27814	2.7
539.30707	2.6
543.29297	4.4
547.29065	1.8
549.28522	1.6
555.30115	2.9
557.30847	2.0
561.30634	1.9
567.29779	8.3
573.30591	4.5
585.30621	23.6
603.31744	23.3
621.32703	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.4
55.01880	7.8
55.05514	20.3
57.03439	8.6
65.03947	3.2
67.05508	30.7
69.03143	0.8
69.03426	16.3
69.07065	8.8
69.35144	5.2
71.04994	6.8
73.02902	1.1
79.05498	34.2
81.03424	100.0
81.07062	33.9
83.04987	15.5
83.08625	19.8
83.09118	0.9
85.02914	18.7
85.06555	2.7
91.05488	42.6
93.06480	1.4
93.07050	23.0
95.01364	1.1
95.04974	34.6
95.08054	1.2
95.08616	12.9
96.80218	0.8
97.02903	16.6
97.06526	5.0
97.10189	9.3
99.04473	4.0
99.08117	1.3
101.02355	0.7
103.05484	2.9
105.04504	1.4
105.07037	29.5
107.04964	14.2
107.08601	12.1
109.02135	1.2
109.02889	26.0
109.06528	7.6
109.10181	5.1
111.04448	9.1
111.08088	8.1
113.05994	1.7
115.05467	3.8
116.06252	1.0
116.11101	0.6
117.07023	8.6
119.04966	3.0
119.08590	18.9
121.02897	1.4
121.06519	6.9
121.10153	10.8
123.04446	6.4
123.08090	3.5
123.11702	2.9
125.02396	3.2
125.06016	0.8
125.09630	5.6
127.03941	8.3
127.07597	0.8
128.06244	2.3
129.05498	1.2
129.07022	15.5
131.04962	3.8
131.08580	15.8
133.06516	7.1
133.10132	12.9
135.04449	1.9
135.08073	3.7
135.11726	4.0
137.02379	1.3
137.06000	1.8
137.09637	2.9
139.07451	0.9
141.07018	3.0
142.07762	4.1
143.08563	5.7
145.06470	6.5
145.07330	0.6
145.10167	5.9
147.04416	3.6
147.08054	6.6
147.11690	17.5
149.06047	3.5
149.09639	6.8
151.07483	1.1
151.11211	1.6
153.09157	1.0
153.12778	1.9
154.07811	0.9
155.08577	4.0
157.05403	0.6
157.06517	4.2
157.10138	11.6
159.04364	0.6
159.08109	2.6
159.11731	1.7
161.05974	4.3
161.09630	1.7
163.07607	0.8
163.11192	5.9
165.05547	0.7
165.12747	4.8
167.08623	2.1
169.06537	1.2
169.10115	1.6
171.04436	1.0
171.08092	2.8
171.10280	0.8
171.11725	2.6
173.04507	5.3
173.06030	3.2
173.09689	2.3
173.13268	1.2
175.03999	1.1
175.07613	1.8
175.11197	10.5
177.05470	0.7
177.12753	1.4
181.06503	0.7
181.10150	1.7
181.12331	2.7
183.08112	1.1
183.11754	0.8
183.13785	0.6
185.06064	0.8
185.09674	1.8
185.13319	2.0
187.07576	1.2
187.11235	1.8
189.05569	2.4
189.11267	2.7
189.12796	2.4
191.07153	0.8
191.10583	3.3
193.12253	33.0
195.08197	0.9
195.11646	0.7
197.09752	0.9
199.07544	1.4
199.11234	1.3
201.12761	1.2
203.10718	1.1
203.14334	0.6
205.12299	1.9
207.11917	0.7
207.13847	1.1
209.11620	1.2
209.13373	1.6
211.13303	36.7
212.25105	0.7
213.12769	2.1
217.12332	1.0
219.13835	0.7
227.12599	4.2
227.14673	1.1
229.12357	0.8
229.14354	1.3
231.13869	1.9
233.15448	1.2
235.13358	2.5
237.12810	0.9
243.13858	1.1
245.15468	1.0
247.13329	1.2
249.14986	2.5
255.13931	2.2
257.15411	0.9
259.13306	1.9
261.15042	1.1
262.10406	0.7
265.14505	1.1
267.15930	12.6
271.13474	0.7
273.14908	9.9
275.16418	0.9
277.14459	1.9
283.13205	1.7
283.15820	0.9
285.14526	1.2
285.17093	9.4
289.14392	2.4
291.16098	1.6
299.16553	0.8
301.14368	11.0
301.17651	0.9
303.15970	1.4
313.16614	1.2
319.15396	8.3
333.17056	1.1
337.16513	4.9
341.17444	1.2
347.18546	1.3
355.17737	3.3
357.24323	1.0
367.22885	2.8
375.18161	4.2
385.23715	4.0
391.22879	0.8
393.19196	6.1
403.25009	3.2
409.23917	0.7
411.20367	3.2
421.25726	1.8
447.25256	0.8
449.28961	0.8
459.27338	9.5
465.26730	1.6
475.25092	1.2
477.28525	8.7
489.27847	0.7
493.26303	1.4
495.29532	5.8
501.28754	1.6
511.27014	1.0
513.28613	0.8
519.30316	0.8
529.27972	0.9
532.56342	0.7
539.29877	1.4
543.29590	2.0
555.29504	1.2
557.31122	2.0
561.31097	0.9
567.29694	3.0
573.30560	2.8
585.30695	9.4
603.31567	14.1
621.32727	72.2
622.32581	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46004	1.0
53.03947	8.8
54.27386	1.0
54.53371	1.0
55.01875	6.0
55.05513	18.3
57.03440	7.9
61.94191	1.1
65.03936	2.9
66.62024	1.1
67.05505	29.6
69.03422	15.6
69.07079	8.8
70.09321	3.9
71.01356	1.9
71.04996	6.6
79.05494	32.6
81.03419	100.0
81.07053	34.1
81.07532	1.9
83.04979	16.9
83.08624	21.7
85.02905	19.2
85.05625	0.9
85.06529	3.1
91.05482	44.0
93.06479	1.8
93.07046	24.8
93.07631	1.6
95.04971	34.1
95.08608	13.0
97.02892	14.4
97.06528	4.6
97.10169	6.3
98.20821	1.0
99.04453	3.6
99.08089	1.5
103.05499	2.0
105.07034	28.7
106.35194	1.0
107.04961	14.4
107.08585	14.7
109.02876	24.0
109.06532	5.3
109.10140	4.9
111.04435	11.1
111.08086	8.9
113.06014	2.2
115.05460	3.1
116.06208	1.0
117.07012	6.9
119.04951	3.1
119.08585	20.5
121.02843	2.3
121.06495	7.6
121.10141	13.5
122.19128	1.1
123.04428	5.3
123.08070	3.7
123.11730	3.5
125.02370	2.4
125.06035	1.9
125.09615	5.9
127.03924	9.1
128.06245	1.9
129.06985	13.0
131.04932	3.6
131.08575	16.9
133.06508	4.3
133.10130	13.2
135.04427	2.5
135.08049	3.0
135.11691	4.3
137.09599	2.2
141.07031	1.3
142.07802	3.9
143.08582	3.3
145.06462	4.9
145.10109	7.7
147.04414	3.4
147.08060	5.7
147.11687	17.0
149.06027	3.7
149.09648	8.1
153.12724	2.5
155.08583	2.8
157.10133	15.1
159.08037	2.3
159.11755	1.8
160.05283	1.1
161.06006	3.7
161.09688	2.4
163.07515	1.5
163.11154	6.2
165.09091	6.4
165.12755	4.1
169.06503	1.8
169.10109	1.4
171.08046	2.1
171.11700	3.5
173.04489	4.2
173.06003	3.2
173.09669	1.8
175.11150	12.8
179.10666	1.0
181.10037	1.3
181.12312	2.5
183.11823	1.5
187.07558	1.9
187.11116	2.0
189.05487	1.8
189.11195	2.7
189.12775	2.2
191.10692	2.9
193.10468	2.5
193.12241	39.9
195.11708	1.1
199.11357	1.3
203.10724	1.4
205.12231	1.3
209.11676	1.6
211.13286	43.9
217.12370	1.1
227.12689	6.5
235.13383	2.2
237.12846	1.2
245.15501	1.7
247.13332	1.9
249.14938	3.1
255.13855	3.7
257.15472	1.1
259.13330	1.7
265.14413	1.4
267.15915	14.6
273.14923	8.9
283.13266	1.8
285.17032	6.8
289.14642	1.9
291.15790	1.7
301.14365	13.4
303.16010	1.6
319.15445	8.3
333.16974	1.2
337.16470	4.6
341.17474	1.2
355.17679	3.1
357.17212	1.4
367.22794	2.7
375.18033	4.8
385.23761	4.3
393.19290	5.0
403.25189	1.2
408.36227	1.0
411.20172	3.0
441.26126	1.2
459.27383	9.7
468.46579	1.1
477.28751	6.4
493.26425	2.1
495.29590	4.0
501.28485	1.5
529.28711	1.4
541.75500	1.2
543.29602	1.6
557.31183	1.8
567.29791	3.0
573.30316	4.6
585.30505	11.1
603.31628	14.8
621.32642	79.9
622.33356	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2707
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05473	0.5
57.03395	0.2
57.07014	1.0
67.05440	0.9
69.07024	0.3
69.27907	1.8
71.08568	0.7
77.22528	0.2
79.05451	0.5
81.03361	0.6
81.06989	1.0
83.04924	0.2
83.08567	0.4
85.02873	0.2
85.10135	0.3
91.05410	0.7
93.07001	0.4
95.04927	0.5
95.08532	0.7
98.21510	0.5
98.98397	0.3
105.06977	0.5
107.08539	0.3
109.10121	0.5
111.08084	0.3
119.08532	0.5
121.10087	0.2
124.34010	0.2
129.06966	0.2
131.08591	0.3
133.10091	0.2
155.00996	0.2
157.09996	0.2
193.12177	0.7
199.26720	0.2
209.10637	0.3
211.13371	0.4
223.12421	0.2
229.14308	0.3
233.10710	0.2
237.10123	0.2
311.13885	0.3
324.14804	0.4
342.70129	0.2
373.14630	0.4
375.16125	1.0
376.17227	0.4
385.15472	0.3
386.16196	0.3
387.16122	0.9
388.16830	1.1
389.17661	3.0
390.18576	1.5
391.19363	1.0
401.18066	1.2
402.18747	1.7
403.19376	3.9
404.19989	2.9
405.20770	2.0
413.17786	0.4
414.18607	0.3
415.19391	1.0
416.15530	0.6
416.20776	1.2
417.16071	2.7
417.21011	2.1
418.17416	0.7
418.21545	1.0
419.22403	5.9
420.23032	0.7
427.19409	0.6
429.20956	0.7
430.17200	0.5
430.21835	0.8
431.17911	4.2
431.23026	1.3
432.18781	1.6
433.19540	1.2
441.20560	0.7
443.18701	0.4
444.19907	0.3
445.15289	0.7
445.20697	5.3
446.21057	4.0
447.21973	7.5
448.22656	0.4
458.21085	0.4
459.18164	3.1
459.22714	1.0
460.18860	0.9
461.19479	2.6
473.19589	1.8
473.24301	0.9
474.20514	9.3
475.21304	13.8
476.21863	0.5
477.23734	0.4
478.24005	0.3
485.19666	0.4
486.20319	0.4
487.15274	0.2
487.21353	4.2
488.22098	1.3
490.24057	0.4
491.20053	0.3
491.25269	0.5
492.25314	0.3
492.37573	0.4
501.22900	3.3
503.21368	0.3
505.26804	1.6
505.39066	0.7
518.22943	0.7
519.19763	1.4
523.39825	3.1
529.22205	0.9
529.76282	0.3
532.24176	0.3
533.25616	10.2
546.22766	0.8
561.25006	37.3
562.25757	1.0
565.28351	0.4
589.24512	1.5
593.27368	1.5
621.27100	100.0
622.27295	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95691	1.3
69.96098	0.8
78.88235	0.4
98.20792	0.5
132.61971	0.5
221.10516	0.4
234.90511	0.5
299.64349	0.5
318.89877	0.4
374.15106	0.8
375.15933	1.2
388.16885	1.4
389.17789	3.5
390.18240	1.4
401.17575	1.5
402.14252	0.8
402.18799	1.1
403.19379	6.6
404.20032	2.6
405.20639	1.5
415.19315	0.8
416.15390	2.0
416.20712	0.8
417.16925	4.3
417.20990	3.3
418.17355	1.2
418.22028	0.8
419.22415	9.3
420.22650	0.6
429.16382	0.7
429.21298	0.9
430.17838	1.6
431.17984	7.1
431.23422	0.8
432.19165	2.7
433.20203	1.7
441.17368	0.7
443.19009	0.6
444.19312	1.0
445.20099	8.1
446.20926	5.5
447.21878	12.0
448.22653	0.7
458.20905	1.1
459.17502	1.8
459.21985	2.3
460.18698	0.5
460.22543	0.6
461.18973	0.8
473.18829	1.0
473.24106	0.8
474.20428	11.5
475.21298	18.7
476.21695	0.6
487.21274	4.5
488.21857	1.0
491.20682	0.8
501.22739	2.9
502.23486	0.6
503.20364	0.6
505.25732	1.6
529.22321	0.8
533.25598	12.3
534.25781	0.6
546.22925	0.9
561.24982	75.2
562.25513	2.1
589.23999	2.4
593.27441	3.2
621.27100	100.0
622.27643	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.84995	0.3
69.25723	1.2
69.26144	1.1
70.55378	0.3
82.19547	0.3
84.48857	0.3
89.20144	0.3
100.17793	0.3
106.88258	0.3
157.66035	0.3
252.15884	0.3
338.12128	0.3
374.15399	0.6
375.16223	0.8
387.16257	0.7
388.16922	1.1
389.17593	2.6
390.18616	1.4
391.19312	0.7
400.17181	0.3
401.18094	0.6
402.13971	0.5
402.18655	1.1
403.19498	4.0
404.20099	2.0
405.20715	3.4
415.19385	0.6
416.16199	1.0
416.20862	0.6
417.16196	3.6
417.21216	2.0
418.17780	1.1
418.22208	0.6
419.22433	6.4
420.22980	0.4
428.15753	0.3
430.18030	1.0
431.18250	6.9
432.19370	2.4
433.20172	2.3
433.24530	0.3
443.18573	0.8
444.19742	0.6
445.20007	5.0
446.21005	4.9
447.21835	7.8
457.21082	0.3
459.22980	2.2
460.18436	0.6
460.23602	0.4
461.19611	1.7
463.21298	0.5
473.19727	1.2
473.24945	0.4
474.20352	3.8
475.14548	0.4
475.21323	6.8
476.21487	0.4
477.23169	0.5
487.21365	2.2
488.21844	0.5
491.21130	1.1
501.22946	1.2
505.23019	0.6
505.26129	0.8
518.22986	0.4
519.20746	0.4
529.22467	0.5
533.25598	12.8
534.25470	0.5
546.23029	0.4
561.25049	19.1
562.25739	0.4
570.54700	0.3
589.24609	0.9
593.27606	3.7
621.27124	100.0
622.27551	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	621.271
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.35034	0.2
67.05511	0.5
79.05518	0.2
81.07072	0.3
89.06033	0.2
91.05482	0.4
93.07066	0.5
111.25121	0.3
112.67272	0.2
119.08573	0.3
124.16400	0.2
161.38429	0.2
215.84851	0.2
221.10855	0.2
223.12086	0.2
233.10768	0.2
373.15002	0.4
374.15686	0.4
375.16360	0.7
387.16254	0.7
388.16992	0.8
389.17551	2.4
390.18481	1.1
391.19275	0.9
401.17740	0.6
402.18469	1.0
403.19510	4.3
404.20313	1.8
405.21088	1.9
415.19260	0.9
416.16089	0.8
416.20209	0.8
417.16238	3.8
417.21289	1.5
418.17468	0.7
418.21918	0.9
419.22406	6.4
420.22943	0.4
429.16751	0.4
429.21603	0.3
430.18039	0.9
430.22784	0.3
431.18240	6.4
432.19238	2.2
433.20132	2.3
443.18610	0.7
444.19766	0.7
445.20078	4.9
446.21069	6.3
447.21878	7.4
448.22693	0.4
457.20480	0.6
459.22931	2.3
460.18375	0.5
461.19489	1.2
463.21390	0.4
471.18753	0.2
473.19464	0.9
473.23874	1.0
474.20474	5.4
475.21289	6.4
477.22714	0.3
478.23660	0.4
487.21497	2.5
488.22067	0.8
491.19772	1.3
492.25314	0.3
501.22949	2.1
505.26889	1.4
518.23193	0.7
519.20825	0.7
529.22382	0.7
533.25537	14.9
534.25806	0.4
546.22449	0.4
561.25018	20.8
562.25146	0.6
565.28223	0.6
589.24481	0.8
593.27698	3.7
621.27100	100.0
622.27228	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	620.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01881	1.2
55.05511	6.2
57.03442	7.6
57.07068	1.2
59.05008	2.3
61.02937	2.7
65.03947	1.5
67.05508	58.0
69.03438	1.1
69.07070	6.2
69.39848	3.3
71.05009	2.4
73.02936	1.1
73.84264	0.4
74.78107	0.5
79.05068	0.9
79.05497	10.4
81.03410	1.0
81.07063	28.8
83.04975	2.2
83.08625	7.9
85.02903	2.7
85.06540	2.9
91.03967	1.5
91.05486	9.6
93.07047	19.0
95.04977	1.8
95.08610	8.1
97.02898	1.6
97.06543	3.4
98.21462	1.0
99.04492	0.5
99.08099	1.3
105.07024	2.3
107.08598	9.9
109.06536	0.8
109.10162	40.5
111.07418	0.6
111.08092	3.7
114.93243	0.4
117.07019	2.8
119.08576	4.4
121.10150	6.9
123.11726	1.0
125.09615	0.6
127.03886	0.4
131.08580	2.4
132.62732	0.5
133.10168	3.0
135.08084	0.9
135.11694	3.1
137.09616	2.3
140.40120	0.4
145.05020	0.4
147.11732	0.6
149.13266	11.2
155.10681	3.7
159.11726	4.3
173.11758	10.2
174.42455	0.5
177.12769	1.8
195.13821	4.4
211.13271	0.5
229.14362	31.4
269.17493	36.7
290.61948	0.5
423.27441	100.0
424.27850	0.8
464.74051	0.5
567.31622	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	50.6
70.98112	2.2
71.20064	1.0
71.95253	1.6
74.97601	3.3
84.96042	16.5
91.05493	12.9
94.84241	1.0
98.96933	2.0
98.97589	31.8
102.83323	1.1
102.97023	2.1
110.97583	11.7
112.99143	2.1
116.98625	9.0
119.04944	22.2
120.05316	1.2
121.01687	1.7
124.95509	3.4
124.99138	2.1
128.98615	11.5
132.98099	1.3
133.01659	1.2
134.99696	2.8
139.03908	2.1
140.98643	2.0
142.96530	2.5
143.00163	6.4
144.98071	2.9
146.99670	7.1
147.04419	100.0
148.04794	8.1
149.04860	1.7
150.99156	1.6
156.98058	5.3
158.99712	5.6
159.00885	1.3
160.97604	1.3
161.01234	4.1
162.99159	1.1
163.03893	3.8
165.00749	2.1
170.95979	1.3
170.99680	1.5
172.97533	3.4
173.01176	2.8
174.99182	8.9
177.00706	4.6
181.01863	1.4
182.99663	1.2
184.97647	1.6
186.99219	5.5
188.97069	4.8
189.00740	2.8
190.98611	4.0
191.00237	2.4
193.00230	7.0
193.01785	2.0
195.03256	6.2
201.00659	4.6
202.98543	2.5
203.00224	6.7
203.01996	1.4
205.00177	5.9
205.01781	2.5
207.01654	2.0
207.03357	2.4
211.02853	1.7
213.04353	4.3
217.00076	1.3
219.01715	6.0
220.99414	2.1
221.01273	25.6
221.03215	2.5
223.02904	2.9
224.04672	1.2
225.04347	2.4
230.98187	3.1
232.99686	2.8
235.02898	1.9
237.02853	4.4
239.02298	67.7
243.01814	1.6
245.01311	3.5
247.04781	1.8
248.99136	4.4
249.04510	2.3
253.03879	7.4
257.03384	30.7
261.02698	2.4
263.02203	4.8
267.00253	4.4
275.02194	1.8
279.01740	5.7
281.03528	9.3
283.29578	1.2
285.00790	3.0
289.03729	2.4
291.00305	3.5
295.04886	1.3
297.02725	2.4
299.04572	2.1
303.01620	3.7
305.03320	1.7
309.01456	1.6
313.06680	1.4
319.00995	1.8
321.02625	5.0
330.99701	2.0
333.02206	1.8
339.03940	1.5
349.00790	8.2
351.03830	4.7
358.99841	2.4
361.00491	2.5
363.03229	2.7
367.02878	3.1
377.01367	28.1
379.03796	1.8
381.03165	1.7
389.00433	2.0
395.02777	37.6
407.01178	3.7
409.04224	3.3
413.03888	15.8
418.03772	3.5
419.01358	4.3
431.04874	3.2
437.02283	9.2
469.08160	1.7
495.04733	3.3
505.02509	2.2
509.06085	2.3
523.03778	3.3
527.07062	3.3
541.04968	3.7
553.04504	1.6
583.05817	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08719	0.5
52.16806	0.7
55.05506	2.0
57.03426	1.4
57.07084	0.8
59.93334	0.6
67.05505	4.0
69.03428	0.8
69.07041	0.8
69.33030	1.1
69.33432	4.2
79.05486	2.2
81.07040	3.9
83.08607	1.6
85.06539	0.7
91.05479	2.2
93.07030	3.0
95.08617	3.6
105.07022	1.8
107.08598	1.3
109.10165	1.9
119.08576	2.0
121.10148	2.3
123.11780	0.7
131.08534	1.3
133.10139	1.3
135.08008	0.6
135.73904	0.6
140.87411	0.6
145.10147	1.5
147.11797	0.9
159.11707	0.8
181.12335	0.6
221.15463	1.7
230.41724	0.8
283.15149	11.5
339.17770	4.5
397.20020	1.1
617.40216	100.0
618.40448	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.1
55.05515	51.8
56.74869	2.4
57.07063	7.9
65.03937	4.8
67.05513	31.4
69.03423	9.6
69.07067	22.2
70.15893	6.4
70.16283	6.0
71.05003	6.2
76.44884	2.9
79.05496	34.6
79.88039	2.8
81.03432	4.0
81.07057	49.9
83.04983	18.3
83.08624	62.5
85.06538	7.0
87.04474	6.6
91.05487	57.8
93.07053	62.1
95.04983	26.9
95.08612	32.2
97.06537	23.5
97.58097	3.4
98.20840	3.6
99.04465	5.8
103.05513	4.6
104.10754	6.4
105.07036	100.0
107.04939	7.8
107.08605	76.1
109.06534	13.7
109.10165	29.3
111.08075	8.4
111.74162	2.9
113.09644	10.1
113.57511	3.2
115.05450	8.4
117.07045	25.6
119.08587	87.8
121.06541	15.2
121.10149	51.8
123.08075	21.5
123.11706	8.3
124.37782	3.3
125.09642	22.3
128.06227	10.8
129.06987	21.7
130.07776	10.5
131.08583	53.0
132.09364	6.1
133.06519	5.2
133.10141	61.9
135.08047	15.7
135.11700	10.0
137.09619	6.7
139.11209	11.3
141.07039	10.7
142.07802	29.3
143.08575	57.5
144.09367	15.4
145.06490	10.0
145.10136	80.8
146.07318	3.8
146.10928	4.6
147.08051	15.2
147.11702	15.8
149.09618	17.7
149.13229	4.6
151.11267	3.9
153.07024	5.8
154.07764	6.0
155.08583	28.3
155.10683	11.7
156.09341	24.2
157.10141	65.9
158.07249	3.6
158.10922	13.1
159.08099	18.3
159.11702	40.5
160.08862	10.4
161.09615	18.9
161.13240	7.4
163.11188	12.7
165.07033	8.2
167.08560	10.1
167.10684	27.7
168.09387	8.5
169.10147	32.7
170.10957	14.2
171.08275	3.5
171.10306	4.8
171.11728	36.1
173.09616	10.0
173.13281	20.2
174.10359	3.7
175.11218	10.7
175.14784	6.4
179.08577	10.9
179.14336	4.6
180.09389	6.1
181.10179	26.1
181.12215	26.7
182.10927	12.8
183.11694	30.6
183.13356	3.6
184.12444	5.6
185.09676	6.2
185.13271	18.5
186.14082	6.4
187.11212	7.7
187.14824	9.9
188.12093	2.8
189.12720	7.0
190.13510	4.3
191.14319	10.7
192.09416	3.8
193.10156	18.2
194.10953	12.7
195.11694	27.2
196.12489	9.3
197.09708	6.1
197.13243	37.2
198.14061	4.8
199.11111	8.5
199.14827	17.2
201.12784	6.4
201.16414	4.4
203.08501	3.3
203.14337	7.9
205.10182	4.3
206.10931	4.9
207.11732	16.5
207.13708	6.7
208.12515	9.4
208.14644	4.9
209.13318	23.6
209.15211	5.0
210.13895	6.9
211.11261	5.1
211.14821	21.6
213.12802	10.2
213.16400	11.4
213.53009	2.9
215.14389	20.9
217.10156	5.3
218.16679	5.4
219.11700	7.0
220.12570	6.5
221.13254	13.6
221.15410	26.9
222.14029	7.9
223.14815	20.9
225.12801	5.8
225.14841	14.9
225.16679	6.9
227.14328	10.0
227.17935	4.4
229.15959	3.1
230.27293	2.9
231.11713	3.2
231.17490	4.9
233.13228	9.1
233.15355	46.0
234.13979	6.0
235.14803	14.0
237.16405	12.1
239.18063	4.0
241.15895	3.8
243.17566	4.2
245.13223	5.0
246.16222	4.9
247.14873	6.9
247.16997	8.2
248.15637	3.7
249.16344	14.0
251.17982	6.7
253.15820	5.0
255.17464	43.5
257.18951	4.0
259.14713	7.4
261.16431	9.7
263.18066	7.1
265.15778	4.0
265.19519	8.2
267.17520	4.1
269.19034	6.2
270.19901	13.2
271.20651	8.3
273.16049	4.8
273.18716	6.2
275.17773	3.9
277.19452	5.2
279.17352	3.6
281.19122	5.9
282.19913	6.3
283.20596	6.8
286.19269	5.9
287.17667	3.6
289.19650	4.7
295.20807	6.5
298.19312	3.8
299.20099	9.7
300.20819	3.5
307.20609	4.2
334.22839	4.0
337.25314	8.6
345.22061	3.3
347.23636	7.3
349.25275	6.9
360.24448	4.1
365.24817	10.8
367.26379	6.1
383.25912	14.9
414.29288	3.9
429.31268	4.7
457.30957	6.4
478.55627	3.1
587.42145	3.0
600.41711	11.6
601.36456	2.9
618.34711	4.1
618.42560	22.0
619.38098	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	616.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05555	0.6
52.92646	0.4
54.33279	0.4
55.05510	2.1
57.07081	25.4
69.07080	1.2
70.18037	1.8
71.08638	26.7
73.02942	0.7
73.06560	8.0
81.07072	0.8
83.08617	3.2
85.10190	21.4
87.04472	7.2
89.06039	100.0
91.05489	0.7
91.07616	0.7
93.07037	0.8
95.08591	0.5
97.10154	1.0
99.11724	3.3
105.07034	0.9
105.95788	0.5
107.07097	2.4
107.08617	0.9
117.09140	7.0
130.08665	2.3
131.07050	2.9
131.08577	0.7
133.08614	49.0
139.75937	0.5
141.16367	3.7
157.10205	0.6
161.11775	2.1
175.09715	1.8
177.11246	22.8
185.19034	5.7
221.13824	5.1
226.21707	1.3
229.21654	11.7
229.23811	0.8
239.14917	1.0
244.69766	0.5
265.16479	1.8
273.24231	7.4
281.18033	0.6
283.17676	1.6
309.19345	1.4
327.20258	1.4
348.12909	0.5
353.21780	0.6
361.60751	0.6
371.22961	0.9
415.25571	0.7
459.27823	3.1
511.38461	0.6
555.40161	0.7
599.43671	9.3
616.36676	1.1
616.46210	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	617.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.7
55.71188	1.0
57.03425	1.7
57.06837	1.4
57.07079	21.2
61.55421	1.0
65.03922	1.4
67.05506	18.2
69.07077	9.3
69.69510	3.8
69.69942	3.4
71.05002	1.6
71.08639	13.6
79.05502	7.5
79.63113	1.2
81.03424	33.2
81.07057	19.3
83.04972	2.0
83.08240	1.3
83.08624	16.2
85.10170	5.7
90.89832	1.3
91.05498	9.2
93.07034	10.6
95.04987	10.2
95.08605	15.4
97.02893	1.2
97.06524	2.5
97.10153	5.2
97.75367	1.2
105.07038	7.8
107.04957	1.6
107.08599	3.9
109.06491	1.9
109.10130	6.9
111.08080	3.2
111.11726	1.8
111.28127	1.1
113.00052	6.2
119.08556	4.7
121.10119	5.5
123.11669	2.1
125.09633	1.5
129.06964	3.1
131.08553	3.0
133.10130	2.2
135.11700	2.7
135.69992	1.4
147.11639	2.9
149.09546	1.7
149.13216	1.6
157.10126	3.3
169.02623	4.1
179.27454	1.4
193.12273	9.8
239.23602	1.7
249.14993	2.2
291.65918	1.2
330.32025	1.2
341.30267	1.3
497.47812	1.4
505.38925	100.0
617.42316	1.4
635.88702	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.01877	3.2
55.05270	1.9
55.05515	23.7
55.14297	1.1
57.03442	17.4
57.07067	5.1
63.97823	1.2
65.03942	2.8
67.05508	55.4
69.03423	2.6
69.07075	24.7
71.05000	2.5
71.08633	1.9
79.05502	23.7
81.03423	74.6
81.07063	61.0
83.04974	3.8
83.08627	24.9
85.06552	3.2
89.06048	3.9
91.05489	21.2
91.25986	1.2
92.33941	1.2
93.07049	23.5
95.04977	21.6
95.08615	42.3
97.02896	2.3
97.06533	4.3
97.10177	9.3
99.08014	1.4
105.07040	16.9
106.35843	1.2
107.04954	5.7
107.08589	12.7
109.06518	4.1
109.10177	17.7
111.04415	1.9
111.08099	6.5
111.11711	1.5
117.07040	3.2
119.08591	19.8
121.06547	2.5
121.10130	13.4
123.08053	3.5
123.11725	7.9
125.09677	2.1
129.07039	8.2
131.08582	8.8
133.06512	3.3
133.08624	2.8
133.10135	10.1
135.11693	5.0
137.05972	1.5
137.09605	3.4
137.13226	2.3
139.11156	1.5
142.07796	1.7
143.08580	3.0
145.10147	4.9
147.08066	4.0
147.11711	13.0
149.09593	4.2
149.13318	3.4
151.14893	2.0
157.10161	7.9
159.11655	2.4
161.13289	4.0
163.11172	2.2
163.14859	2.4
165.12750	1.8
171.11731	1.5
175.11224	8.4
175.14824	2.6
177.12726	1.4
177.16481	1.6
191.45578	1.3
193.12236	20.8
203.17981	1.4
211.13257	2.3
227.12852	2.1
245.22672	1.8
249.14951	2.7
263.23749	5.2
266.16852	1.5
267.15939	100.0
273.18604	1.7
303.26791	3.2
303.43402	1.6
337.27386	88.3
352.23813	2.2
384.23148	1.6
415.25134	2.0
423.91016	1.2
435.27176	2.2
437.34186	2.5
455.35199	5.6
473.36255	2.7
511.38028	1.7
529.38940	78.4
547.31659	1.6
547.40009	27.2
561.41254	2.1
614.39301	3.0
614.48700	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	614.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.4
55.01855	5.1
55.05508	40.9
57.03433	21.2
57.07066	4.9
59.87485	3.4
59.98117	4.4
65.33933	3.6
67.05181	5.8
67.05506	85.2
69.03414	5.6
69.07068	30.0
70.06574	5.4
71.04981	8.7
71.08643	20.8
71.08954	4.0
79.05493	81.1
81.02985	6.2
81.03417	70.9
81.06593	5.9
81.07056	99.8
83.04986	27.5
83.08622	33.9
85.02911	26.1
85.06538	10.4
88.19325	3.6
91.05481	82.7
93.07047	78.5
95.04969	38.7
95.08601	35.7
97.02905	4.7
97.06519	17.3
97.10161	13.5
99.08099	22.3
102.09168	4.0
105.03394	3.9
105.07032	60.5
107.04956	10.1
107.08605	29.8
109.06484	10.0
109.10145	12.0
111.08055	14.4
113.06011	5.5
113.20730	3.8
115.05427	4.0
117.07015	16.5
119.07933	3.6
119.08590	37.9
121.06513	8.0
121.10148	24.3
123.08086	4.5
125.09634	6.6
129.07021	17.9
131.08580	31.4
133.06421	4.0
133.10106	35.4
135.08058	4.8
135.11685	9.7
137.09645	8.4
139.11172	3.6
142.07764	6.9
145.10097	12.5
147.08054	5.4
147.11703	19.6
149.05983	23.0
149.09612	10.0
149.13255	15.7
151.11136	20.8
157.10115	17.9
159.11708	10.8
161.09599	5.2
161.13264	11.3
163.11150	11.7
165.12778	6.5
171.11708	3.3
175.11131	10.6
179.14224	4.4
188.15033	4.1
189.11258	6.9
193.05009	5.6
193.12244	66.3
195.13734	9.5
211.13289	82.0
227.12762	12.3
259.20660	8.9
267.15945	33.3
269.17416	23.7
277.21683	20.2
285.16937	61.4
300.28860	7.4
341.10248	14.7
351.25372	30.7
380.09753	4.2
383.24124	4.0
434.02734	3.7
455.26334	3.9
461.29001	20.1
479.30075	100.0
485.63260	4.0
491.86282	4.4
525.17834	4.2
543.36365	6.7
561.37787	22.7
582.22662	4.3
614.36310	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4826
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03944	2.1
53.29439	0.6
54.93827	0.7
55.01896	1.0
55.05269	1.2
55.05514	13.9
57.03435	4.4
57.07070	2.6
57.84929	0.7
65.03936	2.4
67.05507	47.0
69.03410	0.9
69.07071	16.8
71.04986	1.5
71.08627	1.1
79.05495	24.5
81.07060	48.5
83.04983	1.8
83.08623	8.9
85.06544	2.2
91.04902	0.9
91.05484	20.8
93.07048	35.3
95.04957	1.4
95.08610	41.8
97.06543	2.4
97.10178	5.5
98.20783	2.1
99.08099	1.2
103.05455	1.0
105.04504	0.8
105.06320	1.3
105.07033	22.5
107.08596	24.7
109.06546	0.9
109.10158	19.3
111.08109	2.3
111.11726	1.1
115.05441	1.0
117.07020	8.5
119.08587	19.2
121.10149	17.9
123.08105	0.8
123.11719	9.3
125.09580	0.7
128.06215	0.7
129.07004	4.2
131.08578	18.1
133.10133	17.8
135.11700	12.9
137.09663	0.7
137.13293	2.5
141.06984	0.8
143.08543	5.2
145.10132	14.6
147.10669	1.0
147.11716	12.2
149.09575	1.6
149.13269	7.7
151.11127	0.8
151.14868	1.3
155.08540	1.4
157.10115	5.5
159.11703	14.1
161.13272	8.3
163.14789	4.5
165.12785	0.7
169.10156	2.2
170.35735	0.6
171.11691	4.9
173.13254	9.3
174.14064	0.7
175.14845	5.5
177.12785	1.4
177.16443	1.8
181.10133	1.1
183.11684	2.0
185.13292	3.8
187.14833	5.6
189.16408	2.9
195.11681	0.9
197.13371	1.0
199.13200	0.7
199.14870	3.0
201.16428	3.0
203.17990	1.4
205.15865	1.2
205.19585	0.7
211.14856	1.2
213.16484	2.4
215.18011	1.8
217.19571	1.4
225.16470	0.8
227.18155	0.9
229.19615	1.4
230.72963	0.7
231.21130	0.8
233.19116	0.8
241.19688	3.4
243.21088	1.8
247.29788	0.7
259.20584	6.2
261.22119	7.9
263.23746	1.4
273.22186	1.7
279.23303	0.9
285.21988	1.1
287.23865	1.3
299.23749	1.6
315.23227	0.9
317.24911	1.1
321.24066	0.7
323.25812	1.1
333.24243	4.7
335.25787	12.9
337.27438	7.3
347.26062	0.9
459.34973	0.7
489.35995	1.2
491.37558	0.9
503.36932	1.3
521.43610	4.3
525.40521	0.8
529.38684	1.3
539.44574	1.9
543.40405	1.9
595.47162	10.1
613.48273	100.0
614.48846	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	613.4829
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03935	1.3
55.01860	1.4
55.05515	11.9
55.68104	0.8
57.03452	4.1
57.07064	3.0
65.03935	2.7
67.05508	39.2
69.07069	15.1
70.83742	2.0
71.04980	1.1
71.08630	1.8
71.65057	0.7
74.90922	0.6
79.05495	22.3
81.03416	0.8
81.07060	43.9
83.04991	1.1
83.08627	7.6
85.06540	2.0
91.05477	17.6
93.07046	24.5
95.04981	1.5
95.08611	37.6
97.06519	1.8
97.09608	0.7
97.10146	4.3
99.08096	1.3
103.05476	1.0
105.06322	1.0
105.07032	16.8
107.08601	16.3
109.10156	21.0
111.08102	1.4
111.11653	0.8
117.07030	7.2
119.08588	17.7
121.10154	14.8
123.11708	8.1
125.09631	1.3
129.07025	2.9
131.08562	13.6
133.10144	16.7
135.08087	1.0
135.11693	10.9
137.09622	1.1
137.13286	1.9
141.06960	0.9
143.08565	5.6
145.10143	11.9
147.11694	10.3
149.13254	7.4
151.11188	1.1
151.14833	2.3
155.08588	1.2
157.10117	3.5
159.11696	11.2
161.13268	8.5
163.11163	0.8
163.14813	3.7
165.12730	1.0
169.10150	2.4
171.11703	4.7
173.13261	9.0
175.14851	3.8
177.16368	1.4
179.14380	1.1
181.10146	1.6
183.02005	0.7
183.11732	1.8
185.13229	3.7
187.14825	4.7
189.16457	2.3
197.13301	1.7
199.14824	3.7
201.16380	2.0
203.17995	2.6
211.14819	1.0
213.16458	1.7
215.18037	1.4
217.19553	1.0
225.16383	1.1
231.21149	1.5
235.35516	0.8
241.19601	2.8
243.21146	1.7
259.20667	5.1
261.22131	7.6
263.23654	1.2
271.20486	1.3
273.22305	1.1
275.23535	0.8
277.21725	3.1
287.23520	0.9
299.23721	1.2
301.25336	1.0
315.23386	0.9
315.26935	1.3
317.24811	1.3
323.25900	0.9
327.26697	1.3
333.24338	5.1
335.25790	12.2
337.27457	6.8
343.71231	0.8
411.32925	0.9
432.60754	0.9
489.35718	1.6
491.37918	0.8
503.36490	1.5
503.43137	0.9
505.38718	1.0
517.38971	0.9
521.43622	4.0
531.40198	0.9
539.44427	3.1
543.40662	1.8
571.44305	0.8
595.47247	9.8
613.48267	100.0
614.48486	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	613.2659
Annotation	Karajinone B
Peak:m/z	Relative Intensity
56.55128	0.6
59.18807	0.6
60.82137	0.6
67.05505	1.8
67.16138	0.6
71.53669	1.0
72.64315	0.7
79.05497	1.6
81.07053	2.0
91.05479	0.8
93.07063	1.0
95.04962	0.9
107.08572	1.1
109.06543	1.4
119.08563	1.2
121.10158	1.0
131.08479	0.8
133.10152	0.8
147.04362	0.8
172.04010	0.7
177.95737	0.6
353.18311	1.0
367.15179	0.9
367.19214	0.9
380.16397	0.9
381.17270	2.4
393.17191	0.8
395.18762	4.0
396.19403	3.3
397.20056	1.4
409.16656	2.3
411.21930	2.1
423.17905	3.1
424.19058	2.6
437.15793	1.4
438.20538	1.5
439.21533	5.3
449.19653	1.3
451.17654	2.8
452.17920	1.0
453.19485	1.0
465.19449	2.3
466.19778	3.3
467.20657	3.3
479.21069	2.9
482.23380	1.0
483.24298	0.9
493.22675	2.2
495.20108	1.0
495.70181	0.7
497.25568	1.2
505.96387	0.8
510.22791	1.6
525.25098	10.1
535.23438	1.4
536.24133	1.3
538.22449	2.2
553.24445	18.3
554.24371	1.0
581.24634	1.0
595.25574	2.6
598.24445	0.9
613.26581	100.0
614.27020	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	613.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10289	0.9
55.01873	1.8
65.03930	3.4
68.99793	5.1
69.00100	0.8
69.03462	1.1
69.68027	5.6
72.54492	1.2
81.03410	1.2
85.02899	4.3
93.03417	2.6
97.02881	2.6
107.04929	2.2
109.02875	3.3
119.04942	2.7
121.02872	100.0
123.04452	2.3
133.06491	1.0
133.56264	0.9
135.04391	2.1
139.03864	2.6
143.04994	1.0
145.05150	0.9
145.06429	1.3
147.04410	4.2
149.02368	2.0
149.05923	1.2
151.03932	2.9
151.88034	1.1
153.01877	2.0
159.04469	2.2
161.05974	2.5
163.02573	1.5
163.03915	19.7
165.01875	3.9
171.04431	1.1
173.02243	1.6
173.06110	1.5
175.00262	1.1
175.03912	4.1
177.01770	4.4
177.05495	3.5
181.04918	2.6
185.06017	1.4
187.03854	5.6
189.01884	4.6
189.05463	3.1
191.03410	4.0
193.04910	1.5
195.02881	4.2
201.01768	1.6
201.05461	3.4
203.03401	3.7
205.04993	7.1
207.02902	8.8
213.05455	2.0
215.03416	3.1
215.07146	1.0
217.04964	6.0
219.02921	7.8
220.03278	1.1
221.04344	1.1
223.05975	1.8
225.03871	1.7
227.03459	1.9
229.04982	5.9
231.02870	10.4
231.06439	1.6
233.04401	3.3
235.06026	2.5
237.04021	1.8
241.04973	3.3
243.02945	6.5
243.06590	1.1
245.04478	2.3
245.07997	1.0
247.06035	5.3
249.04010	2.7
255.02774	2.0
257.04547	2.0
259.06009	5.2
261.03922	14.5
265.07135	1.4
269.04376	1.6
271.06110	5.4
273.04068	6.6
277.07169	2.1
279.05087	1.5
283.06039	3.1
285.03992	9.5
291.04947	5.7
294.05215	1.9
295.05853	6.8
297.03940	2.8
297.07172	0.9
301.06915	2.2
303.04910	4.8
307.05927	3.8
313.07083	3.4
315.05008	2.5
319.08160	1.4
321.06271	4.0
325.07050	8.1
327.04996	5.1
331.07883	1.0
335.09235	1.1
337.07059	5.9
339.07358	9.6
339.15445	1.1
343.08377	1.0
345.06226	3.3
349.02966	0.9
349.07065	3.0
355.08017	3.2
357.06314	1.3
363.06912	5.4
375.07153	2.8
379.08099	7.8
387.07224	1.3
391.07993	4.2
393.07922	4.9
397.09384	2.2
403.08200	2.7
405.08267	5.3
409.09189	7.1
421.09201	4.5
423.09268	5.4
427.10065	5.9
433.09283	4.1
439.10278	5.0
441.10315	9.3
443.09506	1.1
445.11313	5.0
457.11429	16.6
463.10178	4.6
475.12372	6.3
481.11041	6.4
493.11386	3.5
499.12238	3.7
505.10992	1.7
511.12311	9.9
523.12537	5.4
541.13715	5.1
559.14453	5.8
577.15100	2.6
595.16547	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	612.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.8
53.03937	5.1
55.01883	3.7
55.05513	21.9
57.03439	22.8
60.89593	1.8
63.90790	1.7
65.03922	4.3
65.54734	1.7
67.05507	57.5
67.32847	1.7
69.03422	4.5
69.07080	14.9
69.82410	1.8
70.77133	4.6
71.04990	5.4
71.08592	1.9
79.05495	43.1
81.03425	73.8
81.07059	67.1
82.07377	4.2
83.04974	5.2
83.08620	25.2
85.06534	3.1
91.05483	39.7
92.05826	2.0
93.07050	45.2
94.07393	2.7
95.04964	25.7
95.08606	40.4
97.06519	4.1
97.10159	4.6
105.04554	2.5
105.07031	31.4
107.04993	5.1
107.08607	27.8
108.08874	2.1
109.06515	4.8
109.10168	20.6
111.08092	5.0
117.06993	9.4
119.08593	32.0
120.08914	2.2
121.06499	2.3
121.10144	21.2
123.08101	2.2
123.11703	7.0
125.09619	5.3
129.07034	10.9
131.08597	21.0
133.06512	2.8
133.10130	18.4
135.08009	3.0
135.11694	14.6
143.08534	4.8
145.10104	13.1
147.08018	2.1
147.11679	16.5
148.12050	2.0
149.09631	4.7
149.13242	7.9
155.08527	3.4
157.10120	12.8
159.11671	9.0
160.12097	2.6
161.13263	6.6
163.14848	4.0
169.10156	3.2
171.11621	4.0
173.13281	6.6
175.11183	9.7
175.14830	4.3
185.13243	5.5
186.13632	2.6
187.14746	3.6
193.12268	18.5
213.16559	2.5
227.12790	5.8
235.63347	1.9
243.21075	4.8
259.20538	3.3
261.22165	16.7
267.15924	100.0
292.63126	1.9
301.25284	5.2
317.24817	3.4
333.24417	3.5
334.24417	4.4
335.25803	65.8
336.26236	5.0
435.32632	5.5
447.59647	2.3
453.33453	7.2
471.35065	2.5
527.37415	53.4
545.38434	24.6
594.45605	3.2
612.47095	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.7
55.01878	8.6
55.05519	30.1
57.03445	23.5
57.07085	3.5
60.63768	2.2
65.03941	6.6
66.74612	2.3
67.05511	86.1
69.03436	7.3
69.07073	35.5
71.04996	9.8
71.53374	3.6
79.05500	78.1
81.03425	73.8
81.07063	100.0
83.04976	25.7
83.08629	29.8
85.02916	30.4
85.06550	7.5
91.05483	79.9
93.07049	71.9
95.04974	39.4
95.08620	38.1
97.06548	16.6
97.10173	8.0
99.08070	4.5
105.07037	62.3
105.07697	4.9
107.04963	16.6
107.08607	38.5
109.06522	11.3
109.09510	3.1
109.10130	14.7
111.04460	2.4
111.08096	15.2
113.09643	3.3
117.07043	12.2
119.08599	46.4
119.09396	4.8
121.06509	8.7
121.10136	25.9
121.29814	2.1
123.08083	9.2
123.11706	5.6
125.09647	5.0
127.07643	3.3
129.07014	13.2
131.08583	29.3
133.10146	36.2
135.08075	2.8
135.11694	18.9
137.09622	5.1
142.07777	7.3
143.08598	5.1
145.10109	16.1
147.04428	3.0
147.08060	4.8
147.11679	26.7
149.09624	19.2
149.13275	13.0
151.11185	6.2
157.10110	20.7
159.11705	10.7
161.13266	5.3
163.11195	10.6
163.74837	2.6
165.12791	5.1
169.10135	5.6
171.11754	4.7
173.09557	2.6
173.13257	3.8
175.11195	21.2
177.12756	5.6
187.11160	2.9
187.14755	3.0
193.10437	2.9
193.12251	63.4
195.13837	7.5
211.13297	95.4
227.12703	2.5
239.17972	5.8
251.16667	2.7
255.15921	23.5
257.19055	7.0
267.15948	36.0
269.17523	41.9
275.20081	43.9
285.16971	79.5
349.23877	28.7
367.24637	7.4
443.28424	3.1
447.27328	9.4
461.28940	24.5
463.31625	2.6
465.28555	28.8
479.30087	99.1
513.43567	2.9
541.35400	6.1
559.36401	16.9
577.37061	3.2
612.34546	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	612.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.2
55.00131	2.7
55.01882	12.5
55.02086	2.2
55.05272	2.8
55.05514	37.5
57.03440	26.3
57.07065	4.4
57.53587	2.1
59.41277	2.3
63.51840	2.5
65.03933	5.1
67.05508	89.0
69.03415	4.7
69.07072	42.5
71.04978	8.3
71.54296	2.9
79.05495	81.2
81.03422	70.7
81.07059	100.0
83.04983	24.9
83.08618	39.9
85.02906	23.7
85.06528	5.2
91.05479	82.5
93.07052	69.1
95.04971	40.7
95.08599	36.0
97.02917	3.2
97.06528	23.7
97.10172	18.4
105.07034	65.8
107.04989	18.3
107.08603	53.7
109.06499	13.3
109.10159	14.2
111.04449	4.5
111.08087	11.6
113.05988	4.5
115.05453	3.9
117.07043	18.0
119.08579	46.3
121.06514	6.8
121.10159	28.6
123.08066	8.5
123.11729	4.6
125.09587	12.7
129.07011	19.9
131.08571	36.0
133.06494	5.4
133.10136	36.6
135.08109	5.3
135.11752	16.4
142.07784	4.0
143.08517	3.9
145.10139	20.1
147.04404	4.7
147.08031	6.0
147.11688	24.1
149.09619	27.3
149.13254	10.5
157.10149	23.2
159.11705	12.6
160.02945	2.3
161.09669	2.8
161.13263	6.5
163.11217	13.0
165.12805	5.0
169.10086	3.0
171.11664	4.2
173.13268	4.8
175.11212	16.3
177.12744	6.7
179.14238	6.0
183.11699	4.2
185.13281	2.6
187.05885	2.7
187.14845	2.6
193.12245	49.8
195.13811	4.6
211.13290	68.5
227.12791	16.4
239.17740	3.2
255.15935	11.4
257.18976	9.8
267.15884	24.9
269.17480	18.8
275.20096	41.6
285.13730	3.6
285.16956	56.0
293.20978	3.8
331.22742	2.5
349.23712	38.3
367.24704	4.7
443.28116	2.8
461.28928	16.6
465.28632	14.2
479.30011	55.1
541.35077	8.6
559.36420	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	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.01860	1.2
55.05512	14.9
57.03441	6.1
57.07077	2.1
58.84746	0.5
65.03934	2.1
67.05507	35.9
69.07067	14.0
69.22216	0.5
71.04992	1.7
71.08611	1.4
71.16238	0.5
77.03916	0.8
79.05494	27.6
81.07057	36.1
82.07394	0.9
83.04989	0.8
83.08627	6.5
85.06535	2.3
91.05480	28.1
93.07044	30.4
94.04106	0.5
95.04973	2.1
95.08610	30.6
97.06521	2.3
97.10175	3.0
99.08083	1.6
103.05457	1.1
105.04510	0.9
105.07031	26.8
107.04958	0.9
107.08595	18.5
109.06524	1.5
109.10153	13.9
111.08113	1.3
111.11649	0.6
115.05459	1.4
117.07030	10.9
119.08584	26.2
121.10142	16.6
123.08039	1.0
123.11687	3.5
125.09650	1.3
128.06236	1.7
129.05513	1.1
129.07005	9.1
130.07785	0.7
131.08566	17.7
132.77113	0.6
133.10132	18.5
135.08104	0.7
135.11694	10.6
137.13274	1.3
139.11206	1.0
141.07001	1.8
142.07829	1.3
143.08571	10.3
144.09328	0.9
145.10124	17.8
147.08034	1.0
147.11679	14.2
149.09663	0.7
149.13255	4.7
151.11250	0.9
155.08542	4.4
156.09332	1.6
157.08948	0.9
157.10147	10.3
159.11711	12.7
159.13022	0.6
160.11937	0.6
161.13260	11.8
163.14832	2.8
167.08568	1.3
169.10126	5.1
171.11705	11.1
173.13269	9.8
173.18884	0.6
175.11169	0.7
175.14835	5.9
177.12761	1.0
177.16411	1.5
181.10182	2.6
182.11020	0.6
183.11745	5.7
184.12115	0.7
185.13234	7.9
187.14799	4.6
189.12877	0.6
189.16458	1.2
191.17863	0.8
193.10110	0.6
195.11705	1.8
196.12415	0.7
197.13260	4.2
199.14815	5.3
201.16389	3.8
203.18134	0.7
207.11679	0.6
209.13251	2.1
211.14799	3.1
213.16383	2.9
215.14417	0.6
215.18045	2.3
217.19618	1.0
221.13298	0.8
223.14841	1.6
225.16357	2.5
227.18050	1.8
229.19528	1.0
231.21159	1.9
237.16431	0.9
239.17935	1.7
241.15854	0.9
241.19562	8.1
243.21167	2.1
245.18893	0.8
251.18025	0.7
257.19113	3.0
258.19244	0.5
259.20578	16.4
261.22217	2.4
267.21039	0.9
271.20679	0.6
275.20212	1.3
277.21661	1.2
283.20483	0.6
285.22235	1.2
287.23895	0.6
297.22214	0.6
299.24039	0.6
311.23703	1.7
315.23154	1.4
315.26929	0.6
325.25409	0.9
330.13202	0.6
333.24252	10.0
335.25818	16.1
337.27438	1.6
339.26846	1.3
341.24774	0.6
353.28525	1.2
355.26410	0.7
367.30237	0.7
449.33554	0.8
501.41183	1.5
519.42023	5.3
527.36926	1.0
537.43329	3.2
541.38538	1.4
551.25665	2.3
593.45667	8.7
611.28748	6.7
611.46655	100.0
612.47186	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02319	0.8
53.03942	2.5
55.01865	2.0
55.05515	17.5
57.03428	3.9
57.07065	3.1
65.03934	2.3
66.81229	0.9
67.05508	46.1
69.06724	1.5
69.07073	17.9
71.05011	1.6
71.86951	0.8
74.09718	1.6
79.05495	33.4
81.07060	46.7
83.04972	2.2
83.08621	8.7
85.06542	1.9
91.05482	32.4
93.07049	36.6
95.04988	2.4
95.08613	36.1
97.06530	2.8
97.10181	3.9
98.20799	2.5
105.04556	1.7
105.07038	29.8
107.08601	24.8
109.06509	2.2
109.10162	15.2
111.08087	1.1
115.05513	1.7
117.07014	12.1
119.08590	29.8
121.10155	16.0
123.08068	1.4
123.11740	5.3
125.09669	1.2
128.06236	2.2
129.07004	10.2
129.49362	0.8
130.07787	2.1
131.08578	24.6
133.10141	22.3
135.11690	10.1
137.13307	1.8
141.07060	2.2
142.07748	2.0
143.08580	10.8
145.10133	20.4
147.11700	17.8
149.13251	7.2
151.11237	1.2
155.08533	4.9
156.09290	1.3
157.10110	11.0
159.11700	17.9
161.13254	12.2
163.14847	4.1
167.08586	1.3
169.10165	3.9
171.11699	13.3
173.13261	11.5
173.14513	1.1
175.11302	0.9
175.14809	7.2
177.16455	1.4
181.10124	2.5
183.11725	5.9
185.13277	10.0
187.14853	7.3
189.16389	1.9
195.11774	1.9
197.13246	4.7
199.13327	1.4
199.14861	6.1
201.16402	3.6
209.13289	1.9
211.14873	3.0
213.16415	4.8
215.18007	3.1
217.19630	1.2
223.14877	1.8
225.16382	2.7
227.18156	1.5
229.19589	1.4
229.50687	0.9
231.21216	1.6
239.18015	2.8
241.19608	10.3
243.21208	1.8
253.19786	1.2
257.19061	3.6
259.20575	18.4
261.22278	3.5
275.20212	1.0
277.21957	1.3
297.21985	1.4
311.23746	1.0
313.25232	1.2
315.23386	1.3
317.24808	1.0
325.25128	1.1
333.24240	13.2
335.25897	18.9
339.26886	1.3
353.28506	1.6
370.32578	1.0
381.31628	1.7
437.34253	1.3
475.34439	1.0
519.41986	4.8
529.38171	1.2
537.43103	3.5
541.38855	1.3
593.45514	9.4
611.46722	100.0
612.46826	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01863	1.1
55.05513	13.4
56.26523	0.3
57.03435	3.4
57.07078	3.8
59.04963	0.5
61.54109	0.4
62.16916	0.4
65.03928	1.1
67.05506	23.7
69.03430	0.5
69.07069	11.2
70.11552	1.6
70.11897	0.4
71.04975	1.3
71.08623	1.7
77.03964	0.4
79.05495	15.2
81.03396	0.9
81.07059	26.3
83.04971	1.7
83.08630	6.9
85.06539	0.8
85.10185	2.7
85.63786	0.4
91.05482	14.3
93.07047	18.0
95.04973	1.9
95.08607	20.9
97.06522	2.3
97.10175	4.2
99.08067	1.0
103.05465	0.6
105.04565	0.6
105.07037	16.0
107.04971	1.1
107.08600	11.0
109.06524	1.7
109.09469	0.8
109.10162	10.0
111.08102	1.8
111.11741	0.7
113.09643	2.8
115.05446	1.0
117.07019	10.8
119.08589	15.3
121.06454	0.9
121.10148	8.0
123.08089	1.4
123.11699	2.6
125.09631	1.3
128.06230	1.7
129.07005	8.9
130.07803	0.5
131.08572	17.5
133.10130	9.5
133.11095	0.6
135.08090	0.6
135.11688	5.3
136.22028	0.4
137.09631	0.9
137.13243	0.8
139.11125	0.5
141.06984	2.9
142.07817	2.0
143.08566	11.7
144.09337	0.7
145.10132	14.8
147.11684	6.3
149.09648	1.2
149.13249	3.4
151.11145	0.8
151.14906	0.5
153.12753	0.5
154.07762	0.5
155.08574	5.5
156.09348	0.9
157.10124	10.3
158.86661	0.4
159.11699	10.8
161.13254	4.9
163.11221	0.9
163.14865	1.3
165.07011	1.0
165.12746	3.6
165.16368	0.7
167.08543	2.6
168.09312	0.9
169.10127	8.3
170.10817	0.6
171.11705	10.6
173.13278	7.4
175.11189	0.9
175.14844	2.4
177.16341	1.0
179.08600	0.9
179.14305	0.6
181.10141	4.3
183.11723	7.3
184.12476	0.5
185.13240	7.6
185.14644	0.7
187.14861	4.4
189.16391	1.9
191.18002	1.2
193.10265	0.8
195.11662	3.8
197.13268	6.1
199.14812	5.7
201.12845	0.5
201.16391	3.2
203.14256	0.4
203.17976	1.3
205.19621	0.9
207.11713	1.0
208.14314	0.4
209.13223	2.5
211.14836	3.7
213.12920	0.5
213.14738	0.7
213.16437	4.1
215.18018	2.0
217.19501	0.9
221.13263	1.5
223.14804	2.2
225.16380	2.9
227.14311	0.5
227.18053	2.6
229.19550	2.2
231.21036	0.6
235.14787	1.1
237.16397	1.6
239.17982	2.3
241.15849	0.6
241.19778	2.5
243.21169	1.9
245.19193	0.5
251.17873	1.1
253.19749	1.9
255.21075	1.5
257.19080	1.1
257.22690	0.6
259.20593	1.1
263.17868	0.8
265.19574	0.8
267.21252	0.5
269.19138	0.6
269.22659	0.6
271.20621	1.8
275.20068	0.6
277.21658	5.5
279.21069	0.7
281.22610	0.6
283.20590	1.0
283.24194	0.6
293.22537	0.7
295.22702	4.1
297.22110	0.9
299.20236	0.8
301.21548	0.5
307.23959	0.4
309.22192	0.9
311.23764	1.1
313.21567	0.9
315.23169	0.5
317.21143	0.6
323.23602	0.6
325.25195	0.9
337.25266	0.7
339.26868	0.8
341.24872	0.7
353.28442	1.9
367.30081	0.8
379.30182	0.8
393.31351	0.5
395.33362	0.7
407.28607	0.6
407.33264	0.7
417.31638	0.6
421.34839	0.5
427.32162	0.6
431.32816	0.6
449.33844	1.2
501.41605	2.1
519.42065	6.8
523.37421	0.6
537.43292	5.7
541.38843	1.0
557.43127	0.4
575.44568	0.6
593.45691	8.4
611.46710	100.0
612.47058	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1607
Annotation	Rutine
Peak:m/z	Relative Intensity
55.05503	0.4
57.03423	1.5
68.99797	0.4
71.01340	0.4
71.04996	9.2
71.54721	0.4
73.02919	10.7
75.04481	0.8
77.57743	0.4
83.04990	1.8
84.35757	0.3
85.02907	11.1
87.04456	1.0
91.05474	0.3
99.04446	1.6
109.02875	0.4
111.04417	1.0
117.05505	0.9
121.02877	0.7
123.04441	0.7
127.03908	5.9
129.05499	2.7
137.02361	1.8
139.03891	1.4
145.04996	0.4
147.04395	0.3
147.06549	0.8
149.31367	0.3
153.01852	2.3
157.04967	1.4
157.86266	0.4
163.03874	0.6
165.01834	1.5
183.02910	0.6
201.05556	0.6
219.10153	0.6
229.04874	2.6
229.06847	0.4
247.06018	0.6
255.08723	0.7
256.34277	0.3
257.04459	1.9
266.74881	0.3
271.06009	0.7
272.06427	0.9
273.06842	0.6
273.09647	0.5
274.04678	0.7
274.29526	0.3
275.05338	0.4
285.03958	1.3
287.05524	0.8
303.04996	100.0
304.05255	0.7
315.04907	0.5
317.06570	1.1
329.58170	0.4
345.05875	0.5
411.06992	0.5
429.08121	1.0
447.09293	1.9
449.10825	0.4
465.10202	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1614
Annotation	Cyanin
Peak:m/z	Relative Intensity
52.29303	0.1
53.03955	0.1
57.03434	0.2
61.02931	4.4
65.03951	0.1
68.99802	0.5
69.03406	0.6
71.04988	0.3
71.53320	0.2
73.02926	1.2
81.03416	0.3
85.02911	3.9
91.03967	2.1
93.84712	0.1
95.04974	0.2
97.02896	1.9
99.04447	0.2
101.02338	0.2
105.03416	0.2
107.04953	0.3
109.02876	0.3
111.00793	0.7
111.04493	0.2
115.03905	0.2
121.02870	2.4
121.03786	0.2
121.95427	0.1
123.04443	0.6
127.03928	2.2
133.02858	0.3
135.04387	0.2
137.02338	0.7
139.03914	4.1
145.04968	0.5
145.06509	0.2
147.04413	0.6
151.03917	0.6
153.00732	0.2
153.01848	2.8
157.06497	0.4
163.03870	0.6
165.01860	1.3
173.05933	0.2
175.03899	0.3
179.03424	0.7
183.02911	0.6
185.05974	0.3
189.05421	0.3
191.03355	0.3
194.52995	0.1
201.05504	0.2
203.03433	0.4
213.05461	1.2
229.04941	0.3
231.06522	0.5
233.04578	0.2
241.04947	0.9
245.04550	0.2
257.04416	0.4
258.05203	0.8
259.06070	0.5
263.05502	0.2
269.04477	0.3
271.06000	0.6
272.06299	0.4
273.06650	0.3
275.05423	0.3
287.05508	100.0
288.05878	0.9
299.05649	0.6
303.04987	1.9
305.06619	0.2
317.06573	0.5
329.06580	0.2
353.07037	0.2
365.06589	0.2
395.08017	0.2
425.08600	0.4
437.08173	0.2
443.09430	0.2
449.10815	10.3
450.11319	0.2
479.08200	0.3
557.10754	0.2
575.12305	0.2
611.14282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2867
Annotation	Humilinolide C
Peak:m/z	Relative Intensity
55.05483	0.6
57.03443	0.3
67.05490	0.8
69.07069	0.5
71.53395	0.5
72.17342	0.4
79.05473	0.7
81.07046	1.3
91.05473	0.5
93.07044	0.7
95.08597	0.7
105.07050	0.5
107.08601	0.4
119.08643	0.3
148.62495	0.4
150.95654	0.3
303.05139	0.5
314.20142	0.3
377.17715	0.4
378.18192	0.4
379.19284	0.4
389.17172	0.5
390.18860	0.5
390.42831	0.3
391.19330	0.9
392.20102	0.7
393.20844	0.8
403.19495	0.5
404.20148	0.7
405.17123	1.3
405.21448	0.7
406.17984	0.8
407.22687	3.6
409.20477	0.5
418.17709	0.8
419.17963	2.5
419.23383	0.8
420.19501	1.3
421.20276	2.1
422.21118	0.6
423.21921	1.4
431.18372	0.5
432.19370	0.8
433.20203	7.6
433.25439	0.4
434.21283	2.6
435.17880	2.4
435.22122	2.9
437.23468	3.7
438.24026	0.7
446.21216	1.4
447.22003	1.9
448.22873	0.8
449.19452	4.0
450.20490	2.4
451.21274	2.6
463.20993	2.6
464.22018	6.8
465.22842	6.4
477.23035	2.4
478.23425	0.8
491.24387	1.0
496.24796	0.6
509.21024	1.7
519.23938	0.6
521.25677	5.0
523.23950	1.2
523.26331	1.1
533.25519	0.7
536.24176	0.6
537.24646	0.4
549.90466	0.4
551.26544	23.5
552.27209	0.8
564.58905	0.4
581.27655	1.4
582.24689	0.4
583.28455	0.6
593.27881	1.2
610.46545	0.5
611.28644	100.0
612.28815	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32678	0.2
55.01858	0.2
55.05500	0.3
57.03447	1.6
61.02932	1.6
63.06996	0.2
63.59524	0.2
64.42943	0.2
64.95180	0.2
68.99796	0.5
69.03436	0.4
70.67797	0.6
71.04996	10.4
73.02916	0.5
73.32685	0.2
74.49546	0.1
75.04462	0.5
79.31857	0.2
81.03403	0.4
83.04976	0.4
83.62053	0.2
85.02911	12.7
91.03951	0.9
97.02921	1.3
109.02879	0.4
109.68337	0.2
111.00831	1.0
111.04442	0.3
121.02873	0.7
127.03922	0.7
129.05487	3.4
129.95192	0.2
137.02347	2.7
145.05037	0.3
147.06552	1.1
148.58646	0.2
149.02438	0.3
153.01826	2.8
154.57716	0.2
163.03970	0.5
165.01854	1.7
166.02658	0.2
173.06009	0.2
183.02921	0.8
183.04381	0.2
187.04144	0.2
195.02739	0.2
201.05495	1.4
205.04941	0.2
219.06453	0.2
229.04984	3.2
238.59937	0.2
247.06075	0.8
257.04456	2.3
274.04794	0.7
275.05502	0.2
285.03983	0.9
287.05487	0.2
303.05008	100.0
304.05377	1.0
315.05026	0.7
345.05811	0.6
369.06116	0.3
449.10855	0.4
461.28818	0.2
465.10617	1.0
486.79840	0.2
489.64856	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Rutine
Peak:m/z	Relative Intensity
57.03429	1.6
61.02919	1.5
69.03445	0.4
69.98714	1.7
71.04990	10.2
72.50871	0.4
73.02907	0.8
75.04443	0.6
80.37674	0.3
83.04963	0.5
85.02906	12.0
85.45779	0.3
88.17450	0.3
91.03957	1.3
97.02889	1.1
111.00786	0.7
111.04426	0.4
121.02841	0.7
123.85759	0.3
127.03912	0.9
129.05469	4.0
137.02324	2.0
138.06758	0.3
147.06532	1.3
148.28635	0.3
153.01839	2.5
156.63261	0.3
161.06015	0.4
163.03893	0.6
165.01878	1.2
173.05911	0.4
183.02901	0.6
201.05377	1.0
229.04932	2.7
247.06027	0.5
257.04446	2.5
274.04779	0.8
285.04028	0.9
287.05499	2.0
303.04996	100.0
304.05344	1.2
315.04636	0.4
386.17740	0.3
449.10745	0.8
465.10254	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1398
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
53.00309	1.7
53.03958	0.7
55.01880	1.3
63.71744	0.5
65.03643	0.5
65.03945	2.3
68.43457	0.6
68.99791	5.8
69.99469	2.5
71.05027	0.5
79.05510	0.8
81.03425	2.2
83.04935	0.7
85.02912	1.0
93.03404	0.9
95.04996	1.6
99.04465	0.8
105.03410	0.8
107.04968	2.0
109.02856	4.0
111.00793	5.2
111.04456	1.4
117.03432	0.8
119.04917	1.0
121.02895	2.4
123.04431	11.1
127.03918	75.0
131.04886	1.0
133.02841	2.6
135.04401	3.9
137.02341	0.9
139.03903	100.0
145.02887	0.9
145.06479	1.4
147.04420	7.3
149.02379	1.7
151.03902	27.5
153.01836	1.0
155.03384	1.6
155.04663	0.5
157.06534	0.7
159.04491	2.6
161.05995	1.9
163.03906	13.5
165.05487	1.1
167.03423	2.2
169.04977	1.8
169.49364	0.7
171.04425	2.1
173.06047	1.3
175.03905	15.6
177.05493	6.1
179.03397	39.8
181.04955	7.0
183.04633	0.6
185.05991	1.8
187.03923	1.2
189.01755	0.5
189.05496	3.4
191.03401	8.1
193.04994	5.8
195.06534	0.8
197.05939	1.4
199.03949	1.8
201.05438	2.6
203.03397	26.1
203.06967	1.0
205.05016	2.0
213.05460	4.1
215.03357	1.5
217.04961	6.6
219.06543	1.5
221.04440	0.7
225.05525	0.7
227.03458	1.3
229.04926	5.4
231.06544	2.9
233.04491	2.3
241.04962	4.5
245.04457	17.2
247.05894	0.7
251.05522	0.6
253.04944	1.0
257.01767	1.1
257.04440	17.8
258.05292	1.9
259.05972	3.6
263.05505	8.9
269.04446	5.2
271.06055	5.8
275.05490	17.2
275.08463	1.0
277.07050	1.1
281.04410	1.3
283.05820	1.1
287.05499	61.4
288.05829	0.8
289.07053	3.3
299.05511	16.8
301.06763	1.1
303.04990	4.8
305.03613	0.8
305.06589	8.1
307.08170	7.1
311.05405	2.0
317.06567	15.3
319.08081	2.0
329.06708	0.9
349.08997	0.8
407.07544	2.0
425.08679	32.0
437.08533	2.2
443.09766	8.7
449.08875	1.8
455.09854	3.0
467.09689	6.3
485.10403	1.0
593.12280	0.8
611.13373	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1393
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
53.00302	0.7
55.01884	1.6
56.96543	1.6
57.03439	1.0
58.92122	0.7
59.59107	0.7
65.03931	1.9
67.05453	0.7
68.99800	6.4
69.03424	1.0
71.52431	1.5
72.39179	0.6
79.83475	0.7
81.03410	2.7
82.06527	0.7
85.02910	2.1
91.05489	1.2
93.03416	1.4
94.87000	0.6
95.04951	1.1
97.02899	1.6
98.97614	4.0
98.98152	0.7
99.24694	0.6
100.07639	2.4
101.00856	1.0
105.03380	0.8
107.04993	1.4
109.02898	2.8
110.97565	1.0
111.00819	4.8
111.04442	2.7
113.00871	0.7
116.98609	0.9
119.04968	2.8
121.02892	1.9
122.01392	2.2
122.51465	2.2
123.01302	1.3
123.04428	8.2
127.03925	60.9
128.01401	1.3
130.00294	1.1
131.01906	3.0
131.51965	2.1
132.01799	1.1
133.02844	2.0
135.04410	2.8
137.01915	2.2
137.52020	0.8
138.01787	1.2
139.00899	1.7
139.03912	100.0
143.01878	5.7
143.51987	3.0
144.01830	1.5
145.00815	3.6
145.05002	1.1
146.08112	4.1
147.04405	11.8
149.02092	2.5
149.05919	0.8
149.52032	1.0
150.01686	0.8
151.00743	3.8
151.03912	22.8
152.02469	1.9
152.52516	1.1
153.01889	1.1
153.05486	0.9
153.52501	0.9
155.01939	1.2
155.03389	1.5
155.04941	0.9
157.00774	1.7
157.06454	0.8
158.52519	0.8
159.04420	1.6
160.01324	3.4
161.02951	1.3
161.05975	1.1
163.03917	27.7
165.05472	1.4
166.01302	2.7
167.03386	4.0
169.01773	0.9
169.04906	1.5
170.99596	0.7
171.04494	1.1
172.01324	2.1
173.02994	4.3
173.06139	1.2
173.53076	2.5
174.02904	2.2
175.01862	0.9
175.02414	1.0
175.03915	10.3
177.00655	0.8
177.05522	3.2
179.03407	26.0
181.01875	5.0
181.03294	0.9
181.04991	3.1
182.03662	1.0
183.04529	1.0
185.03053	0.9
185.06015	1.6
187.01845	1.6
189.05484	3.5
190.02368	0.7
191.03445	9.1
192.83650	0.8
193.01784	0.8
193.04926	4.8
194.03531	1.0
196.02397	2.3
197.03070	0.8
197.06076	1.4
199.03937	2.0
201.05379	3.4
202.02367	3.0
203.03418	14.4
203.54146	2.7
204.04012	2.2
205.05086	1.1
211.02995	2.9
211.52998	0.8
213.03760	0.9
213.05403	4.1
215.03474	1.7
216.98820	0.9
217.04994	4.8
219.01942	1.0
221.04518	1.0
221.53987	0.8
224.04568	0.9
224.54697	1.1
224.99371	1.0
229.05019	7.0
231.06541	2.1
232.03493	3.7
232.53479	0.8
233.04498	4.7
240.98628	0.8
241.04895	2.2
243.00098	0.9
245.04521	13.6
251.05386	1.3
253.04871	1.3
254.05667	1.0
257.04443	13.5
257.99661	0.7
258.05319	0.9
259.06122	2.1
261.03009	1.0
262.04575	2.1
263.05496	12.2
268.98367	3.9
269.04526	2.4
271.06097	2.4
275.05505	20.6
281.04453	1.8
283.05725	0.8
284.06631	3.8
284.56827	2.1
285.03726	0.9
285.06741	2.7
287.05511	34.1
289.07114	1.7
292.05591	7.1
299.05530	16.6
301.07129	1.1
303.04810	0.9
305.00354	1.5
305.06546	9.2
307.08179	5.6
311.05597	1.5
313.06454	1.0
317.06577	19.4
328.95715	0.9
328.99393	1.6
329.07132	1.2
359.06851	1.1
365.09384	3.5
365.59479	3.7
366.09314	2.5
373.08005	4.0
388.97000	0.9
389.02234	1.0
407.07632	2.9
425.08673	25.6
437.08600	1.7
443.09799	13.1
449.08508	1.0
467.09802	3.3
569.09442	1.1
611.18262	3.5
619.30841	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1397
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
50.25209	0.6
54.28666	0.7
55.01876	2.0
64.72488	0.6
65.03959	0.8
68.99785	6.4
69.81302	1.3
69.81713	2.3
81.03428	2.1
82.37778	0.5
83.04999	0.8
83.84377	0.7
91.05506	0.7
99.04459	0.8
107.04961	1.0
109.02872	3.4
111.00820	5.7
111.04449	2.0
119.04963	0.6
121.02869	2.5
123.04435	7.6
127.03924	80.6
133.02863	2.4
135.04420	2.2
139.03908	100.0
145.02873	0.9
145.06490	0.6
147.04416	5.3
149.02332	3.4
149.05946	0.6
149.54752	0.6
151.03911	30.9
153.01805	1.1
153.05539	1.0
155.03384	1.3
157.06487	1.1
159.04424	1.3
161.02473	0.7
161.05879	1.1
163.03925	9.9
165.05495	2.0
167.03412	5.5
169.04919	1.6
171.04440	1.7
175.03911	11.5
177.05469	5.3
179.03406	30.9
181.04984	3.4
185.06007	2.0
187.03940	0.9
189.05461	4.1
191.03398	13.8
193.04936	3.7
199.03847	2.4
201.05461	4.0
203.01485	1.1
203.03392	19.7
205.05006	2.8
213.05508	5.3
215.03320	1.1
217.04953	5.0
219.06427	0.9
221.04353	0.8
225.05365	0.7
229.04944	4.9
231.06491	4.0
233.04410	7.5
241.04967	2.8
242.04866	0.7
243.06645	1.0
245.04465	12.6
247.05771	0.7
251.05458	1.0
253.04999	0.7
257.04443	17.3
258.05124	1.2
259.06000	2.5
263.05518	20.0
269.04504	4.0
271.05960	3.1
275.05508	22.8
277.06854	1.1
287.05508	41.8
289.07025	1.9
299.05518	18.1
301.07257	0.8
305.06583	12.4
307.08093	9.0
311.05417	1.1
317.02899	1.2
317.06573	23.2
319.08276	1.2
323.05270	1.2
349.94220	0.7
407.07434	2.3
425.08685	24.0
437.08170	0.9
443.09750	17.1
467.09616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16354	0.1
55.01853	0.4
57.03413	0.6
61.02933	1.4
65.03941	0.3
68.99783	0.6
69.03410	0.5
69.52468	1.1
71.01335	0.4
71.04968	0.5
73.02927	9.9
79.35402	0.1
81.03403	0.3
85.02915	1.5
91.03926	0.2
93.03410	0.4
95.04946	0.2
97.02882	0.5
109.02877	0.5
111.00816	1.0
111.04421	0.3
115.03969	0.8
119.04940	0.2
121.02892	1.5
123.04455	1.4
127.03940	2.5
129.05440	0.2
131.04886	0.2
133.02768	0.2
133.04863	0.2
135.04442	0.3
137.02373	3.4
137.03423	0.3
139.03923	7.6
147.04408	0.6
149.02344	0.8
151.03900	1.2
153.01843	3.4
161.05988	0.4
163.03934	1.3
165.01863	2.5
166.02614	0.3
167.03510	0.3
173.06010	0.4
175.03879	0.3
177.05507	0.4
179.03416	1.4
181.05013	0.3
183.02916	1.0
183.04401	0.3
187.03862	0.4
189.05557	0.3
191.03462	0.4
191.06990	0.2
195.02930	0.4
201.05479	1.8
203.03366	0.7
205.04961	0.3
213.05522	0.5
219.06537	0.3
229.04988	4.6
231.06441	0.2
233.04547	0.4
241.04980	0.3
245.04515	0.7
246.05513	0.2
247.06107	0.8
257.04471	3.6
259.06058	0.2
263.05551	0.7
271.06110	1.2
272.06427	0.4
273.06665	0.7
274.04669	0.7
275.05453	0.9
276.26276	0.2
285.04031	1.3
287.05524	8.4
291.08707	0.4
299.05469	0.8
303.05026	100.0
304.05426	0.7
305.06482	0.4
307.08206	0.3
310.04736	0.3
311.05551	0.9
315.05176	0.2
317.06583	0.6
323.05576	0.5
337.07104	0.4
341.06589	0.7
351.08636	0.3
353.06610	0.5
365.06714	0.4
371.07480	0.2
391.08197	0.2
395.07797	0.4
407.07648	0.4
425.08789	0.9
435.11459	0.3
437.08350	0.2
443.09692	0.6
449.10880	1.2
455.09912	0.2
465.10400	0.7
473.10806	1.0
479.08279	29.2
497.10992	0.2
527.12476	0.2
557.12585	0.2
575.13434	0.3
611.14276	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.05517	2.8
57.03419	2.6
61.02910	1.9
61.25142	1.8
67.05502	5.9
69.03433	5.8
69.07072	10.4
69.66381	11.3
71.04985	7.0
79.05502	13.4
80.39377	1.5
81.03427	4.5
81.07053	11.4
83.04993	14.9
85.02900	19.4
91.05450	9.7
93.03416	2.1
93.07055	20.2
95.04974	7.7
95.08636	9.6
97.02881	7.3
97.06528	13.7
99.04475	4.2
103.05445	2.0
105.07027	24.1
107.04965	14.2
107.08602	15.1
109.02902	2.0
109.06538	8.9
111.04416	2.4
113.05996	2.0
117.06992	5.4
119.04977	3.1
119.08580	7.6
121.02814	3.5
121.06499	13.7
121.10127	2.4
123.04440	2.2
125.06000	24.9
127.03934	2.7
129.06990	2.0
130.07837	2.3
131.04886	1.7
131.08575	6.4
133.06497	3.7
133.10139	2.9
135.04472	2.7
135.08107	4.4
135.11668	11.2
137.02312	2.3
137.05957	6.7
139.03879	4.1
139.07561	5.9
143.07040	23.1
143.08200	2.2
143.08591	2.6
145.04953	3.2
145.06464	3.0
145.10126	46.7
147.11696	8.0
148.08803	2.0
149.06006	2.4
151.07558	3.8
153.01834	2.1
155.07054	2.0
155.08417	3.3
158.07372	1.9
159.08063	3.7
159.11700	16.3
161.09610	1.6
161.13197	2.5
163.07523	2.0
163.11191	86.9
165.12665	1.9
169.10175	5.2
171.11707	1.8
172.08783	2.6
173.09631	48.3
177.12770	2.7
181.12270	15.6
187.11189	20.7
189.12724	5.7
191.10675	18.6
197.09587	8.2
205.12265	24.2
207.13866	2.4
209.11714	4.8
215.10684	29.8
215.28845	2.2
227.12787	16.4
233.11734	100.0
251.12807	80.4
269.13849	31.7
287.05484	3.8
288.05920	5.8
295.06021	2.4
296.06345	5.7
303.05008	47.1
307.06131	2.8
308.06302	3.9
326.07465	3.6
338.07510	2.6
350.07178	2.9
355.06744	2.0
392.08337	3.7
410.09711	3.8
413.17700	2.9
458.11630	2.5
482.11572	3.4
494.11594	2.5
512.12323	3.1
524.12598	3.8
542.13531	4.0
560.14417	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	610.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67979	1.0
55.01867	2.6
55.05503	1.9
57.03432	1.7
60.04544	1.4
61.02936	1.9
67.05501	6.3
68.06019	1.4
69.03424	5.3
69.07075	8.7
69.22633	1.2
71.04995	6.5
71.53510	1.6
79.05505	14.2
81.03402	3.3
81.07069	12.4
83.04988	9.8
85.02903	14.2
91.05479	8.7
93.07050	20.3
95.04984	9.0
95.08607	9.9
97.02906	6.2
97.06537	16.2
99.04462	7.4
99.05043	1.4
103.00762	1.4
103.05476	1.4
105.07047	22.4
106.04066	1.2
107.04964	13.4
107.08603	14.8
109.02907	1.3
109.06525	7.6
109.10092	1.3
111.06458	1.4
113.06039	2.0
117.07045	8.6
119.04965	3.4
119.08620	7.9
121.02827	1.6
121.06531	18.6
121.10163	4.6
123.04442	1.7
123.08096	1.3
125.05993	22.4
127.03938	3.2
129.06976	3.2
130.07733	1.5
131.08571	6.8
133.06503	5.1
133.10130	3.6
135.08063	4.2
135.11731	8.6
137.05986	4.7
138.06694	1.3
139.03917	2.8
139.07533	3.9
143.07045	20.0
143.08557	4.4
144.09338	2.9
145.04991	1.6
145.06497	4.2
145.10139	45.1
147.08096	3.0
147.11717	7.6
149.06009	1.3
149.09631	1.4
151.07512	3.4
153.01871	2.5
154.07678	1.6
155.07013	1.2
155.08507	1.4
158.07301	3.2
159.08070	3.5
159.11707	16.9
161.13350	1.8
163.11191	100.0
169.10135	5.7
173.06165	1.5
173.09637	45.4
177.12766	4.5
179.08574	1.9
181.12265	13.9
182.07349	1.4
187.11194	23.7
189.12764	5.4
191.10701	18.3
194.90364	1.4
197.09601	8.0
205.12218	17.0
207.13939	1.7
209.11755	5.0
215.10704	25.8
227.12791	12.6
233.11740	86.7
251.12814	63.4
258.98236	1.3
269.13861	29.7
273.42944	1.7
287.05502	3.6
288.05911	4.8
295.06149	2.1
296.06299	3.3
303.05026	28.1
321.49451	1.2
326.07477	1.7
418.98972	1.5
464.09186	1.8
494.11841	1.4
505.88373	1.5
560.14368	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	609.4517
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
51.02380	0.4
52.44308	0.3
53.03946	1.3
55.01879	1.9
55.05518	11.7
57.03447	3.0
57.07081	2.1
65.03940	1.2
67.05511	20.7
69.03447	0.5
69.07076	11.0
71.05004	1.0
71.08636	0.6
77.03942	0.5
79.05152	0.2
79.05499	11.5
81.07066	19.3
83.04980	1.5
83.08625	5.8
85.06546	1.0
90.31586	0.3
91.05489	10.4
91.06023	0.8
93.07047	13.1
95.04989	1.6
95.08614	17.6
97.06543	2.1
97.10178	3.5
98.11875	0.4
99.08125	0.7
105.04504	0.6
105.07042	11.2
107.08604	9.0
109.06549	0.8
109.10170	7.1
111.08104	1.4
115.05436	0.9
117.07026	6.5
119.08591	12.5
121.10155	6.5
123.08059	1.1
123.11700	2.4
125.09663	1.3
128.06239	2.2
129.07016	9.4
130.07823	0.4
131.08577	11.3
131.09543	0.8
133.10139	8.8
133.11096	0.7
135.08069	0.4
135.11714	3.9
137.09645	0.7
137.13240	0.6
139.11156	0.6
141.06996	4.5
142.07796	2.0
143.08572	13.3
144.09358	0.8
145.10133	11.7
146.10435	0.5
147.11696	4.3
149.13272	1.4
153.06967	1.8
154.07834	1.7
155.08566	11.5
156.09357	2.1
157.10141	13.2
159.11703	8.1
161.13263	3.0
163.14824	1.2
165.06941	0.9
166.07764	0.8
167.08586	5.2
168.09360	1.4
169.10141	14.7
169.11581	0.7
170.10872	0.9
171.11705	10.5
173.13280	5.1
175.14842	1.2
177.12743	0.5
178.07845	0.8
179.08539	2.2
180.09409	1.3
181.10130	8.6
182.10939	0.8
183.11705	13.7
184.12453	0.6
185.13271	9.4
187.14848	3.2
189.16417	1.1
191.08694	0.6
192.09352	0.6
193.10135	3.4
194.10852	0.7
195.04596	0.4
195.11714	8.8
196.12456	1.1
197.13278	11.0
199.13213	0.7
199.14847	6.5
201.16405	1.8
203.17889	0.6
205.10240	0.8
207.11710	3.5
209.13281	8.9
210.14030	0.5
211.14856	6.6
213.14709	0.5
213.16470	4.3
215.17966	1.2
219.11778	1.1
221.13322	3.1
222.14154	0.5
223.14818	6.3
225.16385	6.1
227.18094	3.4
229.16112	0.4
233.13272	1.1
234.14133	0.4
235.14789	2.3
237.16412	4.5
239.18004	3.7
241.19557	1.7
247.14845	1.2
249.16379	1.9
251.17987	3.2
253.19669	1.8
255.21271	0.7
261.16376	0.5
263.18036	1.3
265.19534	1.9
267.17407	0.4
267.21191	1.0
275.17871	0.7
277.19522	1.0
279.21143	1.2
281.18982	0.6
281.22684	0.7
283.24088	0.4
285.18723	0.6
285.22235	0.6
293.22723	0.6
295.20544	0.4
295.23996	0.4
297.18829	0.5
297.22229	0.7
299.20422	0.8
299.23715	0.7
305.22629	0.8
307.24353	0.4
309.22180	0.9
311.20163	0.5
311.23569	0.5
313.21826	0.8
321.22101	0.9
323.23755	0.9
325.21649	0.4
325.25204	0.7
327.23254	0.7
327.26865	0.4
335.23813	1.2
337.25421	1.3
339.23239	0.8
339.26956	0.5
341.24985	0.6
349.25397	1.3
351.26907	1.5
353.24719	0.7
353.28735	0.6
355.26611	0.6
361.25400	0.7
363.26871	1.4
365.28421	1.3
369.28061	0.6
377.28278	0.5
379.25958	0.7
379.30191	1.1
389.28391	0.4
391.29977	1.5
393.27542	0.5
393.31912	0.9
395.29449	0.6
405.32101	0.7
409.31088	0.7
417.31616	0.5
419.28696	0.4
421.30963	1.1
423.32938	0.8
425.30521	0.6
429.31613	0.7
433.30362	0.9
435.32477	0.8
437.34427	0.6
443.33493	0.5
447.32516	1.5
449.34421	0.9
459.31546	0.5
461.33939	1.3
471.32086	0.4
475.35812	0.5
499.39688	2.1
513.35956	0.6
517.40448	13.6
521.36316	1.0
525.35699	0.5
535.41669	6.7
539.37469	1.4
549.25696	0.4
549.39288	0.4
553.40747	0.9
555.41614	0.6
563.43182	0.4
565.43066	0.4
573.43042	2.5
591.44098	16.7
609.28125	2.9
609.45160	100.0
610.45502	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4512
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03939	1.5
55.01864	1.2
55.05510	10.0
57.03430	3.1
57.07059	1.9
65.03937	1.2
67.05504	22.3
69.03439	0.5
69.07064	9.5
71.04977	0.8
71.08611	0.5
79.05493	15.4
81.03378	0.6
81.07057	23.0
81.43163	0.4
82.07410	0.5
83.04968	0.6
83.08624	5.4
85.06519	1.2
91.05479	13.7
93.07043	16.7
95.04969	2.1
95.08604	17.0
97.06541	1.7
97.10140	2.4
103.05468	0.8
105.04478	0.5
105.07029	15.3
107.04964	0.7
107.08593	11.5
109.06519	1.1
109.10154	7.9
111.08086	1.3
114.92699	0.5
115.05412	1.1
117.07016	7.1
119.08579	14.5
121.06509	0.5
121.10152	6.0
123.08112	0.8
123.11713	2.4
125.09665	1.5
128.06221	1.7
129.06999	7.3
130.07765	0.7
131.08574	12.6
133.10129	11.3
135.08054	0.7
135.11707	4.7
137.09648	0.7
137.13249	0.5
141.07001	3.6
142.07785	1.2
143.08551	9.5
144.09242	0.5
145.10117	12.9
147.11673	5.6
149.09628	1.7
149.13275	2.7
153.06926	0.8
154.07773	0.7
155.08543	7.9
156.09352	1.4
157.10141	9.5
158.10959	0.6
159.11684	7.8
161.09656	0.8
161.13252	3.5
163.11247	1.1
163.14828	1.1
166.07822	0.5
167.08543	2.8
168.09352	1.0
169.10130	9.3
170.10944	0.8
171.11665	8.5
173.13228	5.1
175.14842	1.9
177.12730	0.6
177.16449	0.6
179.08580	1.2
179.14307	0.9
181.10118	4.6
182.10875	1.0
183.11690	10.9
183.13248	0.8
184.12428	0.5
185.13228	6.9
187.14816	3.3
189.16396	0.6
193.10129	1.9
195.11697	5.5
196.12415	0.5
197.13257	7.4
199.14766	3.9
201.16405	1.4
203.17917	0.6
205.10188	0.6
205.15961	0.4
205.91750	0.4
207.11722	2.5
209.13280	6.0
211.14810	6.3
213.16418	3.3
215.17860	0.8
219.11736	0.8
221.13324	1.6
223.14862	3.6
225.16353	3.4
227.17978	2.5
229.19576	0.5
235.14862	1.8
237.16347	2.4
239.17979	3.0
241.17792	0.7
247.20758	0.9
249.16487	0.9
251.17987	2.6
253.19653	1.0
255.21274	0.5
257.18918	2.5
263.17999	1.0
265.19650	1.1
271.20621	1.4
275.20084	7.1
279.21008	0.5
281.18906	0.5
285.22192	0.5
293.21243	2.1
297.22070	1.1
299.20172	0.9
309.22116	0.7
311.23703	0.6
317.21371	0.7
317.25104	0.5
321.22073	0.6
323.23721	1.1
327.23331	0.7
331.23184	0.5
333.26031	0.4
335.23306	0.8
337.25378	1.1
339.23166	0.7
339.26929	0.8
341.24707	0.5
349.24921	0.6
351.26801	1.8
353.24753	0.5
355.26566	0.5
363.27094	0.5
365.24393	0.6
365.28464	0.6
369.27850	0.6
379.30191	0.6
389.27597	0.5
391.30136	1.0
393.31744	0.6
405.16855	0.7
405.31750	0.7
407.22415	0.9
419.18381	1.0
421.30923	0.7
423.32675	0.6
425.30722	0.7
433.20813	0.9
433.30496	0.5
435.21893	1.9
447.32364	1.5
448.18500	0.5
449.19562	0.5
461.33923	0.7
462.20303	0.9
463.21494	1.2
487.34402	0.7
499.39597	0.8
517.40375	7.8
521.25092	1.1
525.36127	0.6
535.41541	4.3
539.37366	1.6
540.38275	0.5
549.25061	6.6
553.42578	0.6
573.43268	0.8
591.44086	9.1
609.28406	13.2
609.45105	100.0
610.27533	0.8
610.45459	1.7
611.08850	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.0
55.01879	10.4
55.05516	24.5
57.03425	5.1
57.07094	2.2
60.91668	1.3
65.03935	3.8
67.05511	66.6
69.03405	1.6
69.07075	39.3
69.81935	2.5
69.82345	5.6
71.05000	2.0
71.08636	2.6
74.09724	8.1
75.10063	1.5
77.03922	2.3
79.05501	63.7
81.03423	5.2
81.07064	71.8
83.04971	8.2
83.08627	9.3
85.06541	2.6
85.46553	1.6
91.05487	70.1
93.07051	66.9
95.01337	10.6
95.04964	10.3
95.08615	48.4
97.06536	17.1
97.10175	4.1
99.08096	2.1
103.05482	2.2
105.04537	3.0
105.07040	79.1
107.04973	19.1
107.08601	29.5
109.06523	6.7
109.10165	13.6
111.04456	1.5
111.08102	3.4
117.07020	19.1
119.08595	46.0
121.06557	2.7
121.10146	19.4
123.04454	2.6
123.08136	3.9
123.11694	2.2
125.09622	2.1
129.06995	4.2
131.08568	28.7
133.06471	2.3
133.10141	40.9
135.08018	2.2
135.11696	11.6
137.09622	2.3
138.93550	1.6
143.08578	6.6
145.06525	1.9
145.10147	16.1
147.11690	20.4
149.09668	6.1
149.13303	7.0
151.11214	1.7
157.10158	4.0
159.11717	13.4
161.13254	8.7
163.11201	3.0
165.09200	2.3
169.10127	2.4
171.11745	3.3
173.13286	4.6
175.14772	1.4
177.12802	3.4
179.14334	20.0
187.14803	2.6
197.13350	2.4
201.16386	2.5
205.12299	2.2
205.15863	1.6
210.81322	1.4
215.18448	1.5
219.17433	23.3
219.19374	2.0
229.19701	1.7
239.18018	2.5
240.78334	1.9
247.20558	2.5
249.86224	1.6
257.19043	9.0
275.20084	96.0
277.21802	1.8
293.21222	6.5
308.70020	1.8
349.23785	2.5
355.07074	3.8
388.43274	1.5
461.37384	1.7
609.28180	6.4
609.45154	100.0
610.45258	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	609.4514
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03938	1.0
55.01866	1.2
55.05515	12.6
57.03440	3.1
57.07078	1.9
59.04992	0.4
61.39600	0.3
65.03938	1.1
67.05506	20.8
69.03420	0.3
69.07069	10.7
71.04998	0.9
71.08629	0.4
79.05495	14.7
81.07059	22.1
83.04978	0.7
83.08621	5.4
85.06541	1.3
91.05482	11.9
93.07046	15.9
95.04966	1.6
95.08609	19.0
97.06522	1.8
97.10169	3.7
99.08081	0.6
103.05491	0.4
105.04522	0.3
105.07037	13.1
107.04967	0.4
107.08595	9.3
109.06528	0.5
109.10159	8.2
111.08109	1.1
111.11726	0.4
113.09647	0.5
115.05482	1.5
117.07025	7.7
119.08584	13.3
121.10149	7.7
123.08074	0.8
123.11703	2.5
125.09653	1.3
128.06201	2.3
129.07011	9.8
130.07805	1.0
131.08577	11.7
133.10135	9.8
135.11710	4.0
137.09605	0.5
137.13229	0.6
141.07001	5.1
142.07768	2.8
143.08562	12.7
144.09361	0.8
145.10133	12.2
147.11694	5.2
149.09634	0.7
149.13242	1.5
153.07086	1.0
154.07822	1.3
155.08566	10.9
156.09404	1.9
157.10136	12.8
159.11703	9.7
161.13269	2.6
163.14806	0.6
165.06987	1.4
166.07823	0.8
167.08566	4.8
168.09367	1.5
169.10132	13.5
170.10899	1.0
171.11691	11.3
173.09825	0.3
173.13272	5.7
175.14807	1.9
177.16440	0.5
179.08539	2.0
180.09366	0.8
181.10126	7.7
181.11623	0.6
182.10951	1.2
183.11697	14.1
184.12474	0.6
185.13269	8.4
187.14827	3.4
189.16420	0.8
192.09406	0.4
193.10181	2.7
194.10951	0.7
195.11693	8.7
195.13426	0.5
196.12480	0.9
197.13268	9.5
197.15030	0.6
198.14131	0.5
199.13231	0.7
199.14850	5.4
201.16393	1.7
205.10173	1.1
207.11687	3.3
208.12459	0.4
209.13269	7.3
210.14012	0.5
211.14818	6.4
213.14748	0.4
213.16454	3.4
215.14339	0.4
215.18025	0.9
219.11755	0.9
220.12587	0.4
221.13257	3.6
222.14116	0.3
223.14838	5.3
225.16409	4.3
227.14484	0.4
227.18123	2.5
229.19669	0.6
231.17502	0.5
233.13242	0.9
234.14378	0.3
235.14767	2.3
236.15640	0.5
237.12918	0.4
237.16412	3.3
239.17952	2.9
241.19559	1.3
247.14893	0.9
249.16423	1.4
251.17950	2.5
253.19676	1.6
255.19431	0.3
257.19128	0.7
259.20761	0.5
261.16449	0.9
263.17969	1.1
265.15607	0.3
265.19601	1.8
267.21298	0.7
269.18951	0.7
273.22238	0.5
275.20316	0.8
277.19449	0.9
279.21118	0.8
281.22879	0.5
283.20731	0.8
285.22195	0.3
287.20059	0.4
290.50153	0.3
291.20972	0.5
293.18906	0.5
293.22607	0.6
295.20303	0.5
295.23856	0.3
297.18692	0.5
297.22244	1.0
299.20200	0.6
299.23627	0.5
305.22250	0.4
307.20612	0.9
307.24057	0.4
309.18683	0.4
309.22052	0.7
311.20227	0.7
311.23795	0.9
313.21777	0.6
321.22238	1.2
323.23730	1.4
325.21765	0.5
325.25412	1.1
327.23260	0.7
327.26999	0.3
333.21954	0.5
335.23843	1.0
337.25290	1.6
339.23294	1.0
339.26923	0.4
341.24677	0.5
347.23566	0.5
349.25269	1.0
351.23087	0.6
351.26999	1.4
353.24826	0.9
355.26352	0.6
361.25378	0.6
363.26978	1.0
365.24533	0.8
365.28537	0.9
367.26404	0.8
369.27988	0.4
377.28406	0.7
379.25983	0.6
379.30325	0.6
381.27847	0.8
391.30215	0.6
393.27170	0.4
393.31747	0.7
395.29532	0.7
403.29675	0.5
405.31625	0.9
407.29102	0.8
409.31247	0.5
417.31378	0.5
419.28629	0.5
419.33755	0.4
421.30731	0.6
423.33124	0.5
433.31155	0.5
435.32474	0.8
439.32309	0.4
447.32507	1.8
449.33923	0.6
461.33682	0.7
467.35806	0.4
473.33099	0.6
475.34818	0.4
487.34805	0.5
499.33398	0.4
499.39481	2.0
500.34186	0.3
501.35477	0.6
515.38336	0.5
517.40460	12.7
521.24658	0.5
521.36505	0.7
523.37384	0.5
525.35883	0.4
527.37262	0.7
535.41547	6.4
539.37341	1.3
541.38586	0.7
549.25104	0.5
551.41119	0.4
553.41827	1.0
555.42053	0.4
567.40747	0.5
573.43048	1.6
591.26355	0.5
591.44104	14.1
609.26355	6.2
609.45135	100.0
610.45502	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72424	1.5
52.88888	1.5
53.03948	9.3
55.01894	8.9
55.05514	27.0
57.03440	12.5
65.03936	3.8
66.76268	2.0
67.05508	56.4
68.59281	1.7
69.03084	2.2
69.03432	21.6
69.06796	1.7
69.07072	19.7
70.62906	1.4
71.01336	4.2
71.05005	8.3
71.41422	1.5
71.54134	1.4
71.54598	2.0
73.79016	1.3
75.22804	1.5
79.05496	53.1
81.03419	91.8
81.07052	42.2
83.04984	25.7
83.08624	18.5
85.02910	16.6
85.06532	4.3
87.04427	1.7
91.05487	44.8
93.06483	3.2
93.07049	53.2
95.04980	28.3
95.08612	16.0
97.02906	18.8
97.06546	13.6
97.10162	12.3
99.04454	7.5
99.08099	2.1
104.90258	1.7
105.07031	23.3
107.04951	7.5
107.08601	32.4
109.02901	15.7
109.06521	5.1
109.10154	12.4
111.04444	14.9
111.08087	9.0
117.07021	12.7
119.08587	24.3
121.06520	7.2
121.10143	12.8
123.04416	3.1
123.08081	2.9
125.06023	2.3
125.09643	6.8
127.03899	10.1
129.07008	12.0
131.08557	12.2
133.06509	4.7
133.10123	15.8
135.08041	3.8
135.11699	29.5
135.39597	1.5
137.05933	2.5
137.09653	3.3
142.07739	2.2
143.08615	4.1
145.06441	3.1
145.10156	13.3
147.08144	3.7
147.11702	11.1
149.09624	5.5
151.11127	2.4
153.12762	3.7
157.10165	11.0
159.08044	3.0
159.11664	3.6
161.06078	2.3
161.09546	2.0
163.11174	12.3
165.12706	2.7
167.08582	2.3
173.04509	2.6
173.09634	2.6
173.13188	1.8
175.11205	9.6
181.10652	1.9
181.12230	14.2
185.13277	1.9
189.11191	1.9
191.10657	3.5
193.12230	27.3
204.75505	1.9
205.12366	1.6
211.11310	3.7
211.13289	41.2
219.13803	2.3
221.15385	2.6
227.12831	6.2
229.14359	2.0
235.13245	1.9
247.13400	2.6
249.14944	2.9
255.15923	11.5
267.15863	7.8
277.21829	2.0
281.78043	1.9
283.15536	1.9
285.16971	3.3
300.91833	1.8
301.14157	3.1
325.16736	3.8
329.20929	2.0
337.16409	5.5
351.25525	2.4
355.17535	8.5
355.22131	3.5
363.18024	2.2
373.23669	3.3
381.19022	3.5
403.24695	3.3
411.19983	5.6
419.28259	2.2
421.25830	7.1
429.26352	5.0
447.27353	30.8
465.28568	15.0
531.29059	2.0
555.29114	3.2
573.31140	3.8
591.31598	7.4
609.32635	100.0
610.33417	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	609.2712
Annotation	Trigonosin C
Peak:m/z	Relative Intensity
55.05505	1.8
61.89652	0.5
67.05506	3.0
69.07069	1.1
70.18468	1.6
72.59557	0.4
79.05491	2.0
81.07063	2.9
83.04993	0.5
91.05474	2.0
93.07052	3.0
95.08601	2.1
97.06563	0.9
105.07049	2.1
105.26386	0.5
107.08593	1.1
109.10150	0.9
117.07020	0.9
119.08585	1.7
129.07028	0.9
131.08592	1.2
133.10135	1.6
143.08554	0.6
145.10114	1.4
147.11726	0.8
147.66345	0.5
155.08565	0.7
159.11694	0.9
163.11215	0.6
169.10146	1.1
173.13307	0.5
183.11777	0.7
183.40375	0.5
185.13306	0.6
195.11774	0.6
206.04936	0.5
275.20044	1.3
360.84653	0.5
389.17532	1.1
391.19287	0.7
392.19827	0.5
401.17630	0.6
402.18643	1.0
403.19342	1.6
405.20703	1.8
406.21539	0.7
407.22342	1.3
415.19522	0.9
416.20670	0.6
417.16965	1.6
417.21628	0.9
418.17432	0.8
419.22992	2.7
420.23373	1.1
429.21445	0.7
430.17627	0.7
431.17792	2.2
431.23358	0.8
432.18997	1.0
433.20160	6.2
434.20883	1.2
435.21848	0.6
443.18454	0.7
444.19113	2.5
445.19400	3.9
446.21204	3.4
447.21817	4.2
448.23080	1.0
449.23517	0.6
458.20959	4.9
459.21930	4.0
460.22894	2.9
463.20694	2.2
473.23621	1.3
475.21078	0.9
476.22177	0.8
477.22763	1.9
491.24741	0.8
505.22357	0.6
517.22076	1.0
518.23450	3.1
519.23987	8.4
521.25122	1.7
531.23993	1.7
532.24719	1.3
549.24890	6.2
573.25092	0.9
591.16693	0.8
591.26013	12.7
591.44263	0.7
609.27094	100.0
609.44916	8.7
610.27502	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41451	1.3
53.03953	9.7
53.85767	1.4
55.01868	6.4
55.05281	1.3
55.05518	21.1
57.03444	9.7
57.07091	1.7
59.04989	1.7
59.06599	1.4
62.56344	1.3
65.03938	3.6
67.05512	52.4
68.05833	1.4
69.03439	15.9
69.07075	15.1
71.01362	4.0
71.05011	9.2
79.05502	46.6
79.05968	2.3
81.03425	97.6
81.07063	44.0
83.04992	22.2
83.08620	16.2
85.02911	18.5
85.06537	4.3
89.54536	1.4
91.05485	43.4
93.06481	3.0
93.07054	50.2
95.04978	23.0
95.08608	14.9
97.02888	15.5
97.06536	11.4
97.10172	10.6
99.04473	7.0
99.08109	2.9
102.28050	1.5
105.04532	2.0
105.07037	23.3
106.42806	1.4
107.04977	8.2
107.08597	27.3
109.02894	15.0
109.06523	6.5
109.10166	10.8
111.04457	12.4
111.08063	8.4
113.05981	2.5
115.05453	4.2
116.06319	1.4
117.06994	10.4
119.05018	1.9
119.08580	17.7
121.06521	5.3
121.10156	14.9
123.04472	2.7
123.08044	2.8
123.11726	3.3
125.09634	3.7
127.03945	11.4
128.06206	1.8
129.05544	2.0
129.07019	9.5
131.04991	3.6
131.08582	13.5
133.06517	4.2
133.10144	11.1
135.08080	2.8
135.11691	33.5
137.05986	2.4
137.09647	1.7
141.06973	3.4
142.07735	2.0
143.08594	4.6
145.06529	3.6
145.10139	10.3
147.08083	3.9
147.11684	11.4
149.05960	1.8
149.09621	4.8
151.11227	3.7
153.12732	3.6
157.06554	2.6
157.10172	9.4
159.11684	2.8
163.11192	10.0
165.12781	3.2
173.04517	1.7
173.09627	2.4
175.11208	9.9
181.12224	9.4
183.11649	2.1
189.11298	1.6
191.10718	4.1
193.12236	24.2
209.11758	2.1
211.13298	42.4
227.12872	8.7
237.14827	1.9
243.13844	2.0
247.13261	2.8
253.14407	2.6
255.15976	15.0
267.15869	9.8
283.15601	2.6
285.16949	6.3
289.14331	3.5
301.14285	1.8
307.15491	3.1
325.16504	6.3
337.16357	2.3
355.17688	6.4
363.17780	1.9
381.19177	5.4
411.20230	5.9
421.25735	3.2
429.25711	2.5
439.26889	1.8
447.27374	17.3
465.28400	15.2
481.27759	1.9
489.27509	1.9
531.29767	3.2
555.29828	2.2
573.31042	3.3
591.31500	9.6
609.32758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03938	0.4
55.01871	0.6
55.05511	1.8
57.03427	0.4
57.07069	0.3
61.79705	0.3
65.03945	0.3
67.05499	3.4
67.91913	0.2
69.03413	0.3
69.07070	1.5
69.38078	2.0
73.11428	0.3
79.05492	3.4
81.07062	3.8
83.04987	0.4
83.08616	0.6
85.06564	0.3
91.05481	3.1
93.07056	3.1
95.04984	0.5
95.08617	2.0
97.06532	0.7
97.10152	0.5
105.07043	3.2
106.25405	0.3
107.04957	0.6
107.08609	2.1
109.06553	0.4
109.10148	1.2
111.08091	0.3
117.06989	1.3
119.08602	1.7
121.06526	0.3
121.10162	1.1
129.06989	0.6
130.07718	0.3
131.08574	2.4
133.10098	1.5
135.08076	0.3
135.11717	0.7
143.08557	0.9
145.10126	2.1
147.11716	1.0
149.09647	0.6
149.13278	0.4
155.08533	0.7
157.10143	0.9
159.11703	0.7
161.13237	0.6
163.11258	0.5
169.10068	0.6
171.11707	1.0
173.13293	0.5
179.14340	0.3
183.11713	0.7
185.13319	0.3
187.14839	0.4
195.11501	0.3
197.13217	0.4
201.16292	0.5
211.14890	0.3
213.16438	0.5
224.12869	0.3
225.16502	0.3
233.10837	0.3
239.17805	0.3
251.15514	0.4
257.19064	1.1
261.22021	0.3
271.20551	0.4
275.20096	2.3
335.25854	0.5
351.09735	0.3
390.18988	0.4
391.19437	0.4
401.17688	0.4
404.20572	0.5
405.20798	1.2
414.18729	0.5
415.19235	1.1
416.20621	0.5
418.22342	0.4
419.18515	1.0
419.22614	1.1
420.19275	0.3
421.19839	0.4
428.19931	0.4
429.20941	2.9
430.21759	1.0
431.18814	1.2
433.24887	2.5
434.20901	0.5
435.22125	0.3
441.20660	0.3
443.22687	1.6
444.23883	1.6
445.24353	1.0
447.17310	0.6
447.22937	1.9
449.23553	0.8
450.21262	0.3
457.20340	0.9
458.24567	1.0
459.21432	4.4
460.22809	3.2
461.19333	1.8
461.23721	2.4
462.20483	1.2
462.24969	0.4
463.21289	1.0
470.21063	0.3
471.22076	0.6
472.22418	2.0
473.23270	1.1
474.24158	0.9
475.20230	0.5
475.25742	0.6
476.22006	2.2
477.22833	1.9
485.23010	1.0
487.25024	3.3
488.22845	0.4
489.23074	1.9
490.23679	0.6
492.25699	0.7
503.24728	2.3
505.18716	0.8
505.25729	0.6
507.24109	0.5
511.37836	0.4
517.40265	0.5
519.23822	2.0
521.21375	2.9
531.23950	24.0
532.24707	1.3
535.23627	0.3
549.24976	13.5
563.26324	0.9
591.26013	2.8
608.44135	0.4
609.27081	100.0
609.44879	7.3
610.27490	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2713
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03949	2.9
54.35956	1.3
55.05513	9.4
57.03440	2.0
67.05179	2.1
67.05515	22.5
69.07074	8.0
69.34339	2.0
69.34676	11.2
79.05499	20.1
81.07062	17.3
83.08635	3.1
91.05483	18.5
93.07053	22.0
95.04988	2.2
95.08622	14.5
97.06535	3.4
97.10205	2.1
105.07056	14.0
107.04953	2.4
107.08627	10.7
109.10182	6.3
117.07024	7.7
119.08582	11.7
121.10181	7.7
123.40826	1.5
127.67209	1.4
129.07047	2.7
131.08589	10.8
133.10146	9.0
135.11691	4.5
143.08575	5.0
145.10168	12.2
147.11714	5.7
149.09628	2.9
149.13290	1.8
155.08585	2.4
157.10185	4.3
159.11723	5.9
161.13272	3.0
163.11197	3.2
167.08760	1.5
169.10158	3.1
171.11761	3.8
173.13315	2.7
179.14339	2.4
183.11769	4.4
185.13271	2.2
187.14862	1.4
197.13188	1.8
208.77646	1.7
209.13295	1.6
211.14919	2.7
239.17885	2.5
257.19073	5.2
275.20117	14.2
331.22577	1.9
335.25964	2.3
342.68829	1.3
389.18314	1.4
392.20135	2.2
403.19824	2.0
404.20508	2.2
405.20938	3.3
407.22571	3.9
415.19272	2.9
419.18231	1.9
421.24170	3.1
429.21167	1.7
430.21759	1.8
433.20251	2.2
443.22284	1.8
447.17731	2.2
459.21915	1.9
461.19434	6.9
462.20563	2.4
475.21170	7.0
476.21985	7.0
477.23056	5.6
485.23798	9.4
486.20502	2.3
489.22961	4.8
499.21384	2.3
500.22073	2.0
503.24484	4.1
515.24353	8.0
521.25122	4.0
531.23932	15.1
549.25024	5.6
550.26080	4.4
559.23181	7.4
591.26038	29.3
591.43152	2.1
609.27161	100.0
609.44971	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2711
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05502	0.4
55.20527	0.4
65.03925	0.4
67.05504	1.9
69.07069	1.0
70.04977	0.3
79.05507	1.7
81.07056	2.2
86.34489	0.3
91.05489	1.5
93.07053	1.8
94.76823	0.3
95.04965	0.7
95.08641	1.3
97.06523	0.3
98.21527	0.8
98.98492	0.4
104.62380	0.3
105.07052	1.4
107.05048	0.4
107.08607	1.3
107.25233	0.3
109.10173	0.4
117.07022	0.8
119.08609	1.1
121.10133	0.9
131.08563	0.9
135.11719	0.5
143.08629	0.5
145.10135	0.7
147.11749	0.7
159.11659	0.4
171.11641	0.4
223.12439	0.4
229.53171	0.4
237.13989	0.4
239.15515	0.6
275.20108	1.0
312.82529	0.3
376.16965	0.5
377.17712	0.7
389.18637	0.7
390.18591	0.5
391.19373	1.5
392.20239	1.3
400.17377	0.4
401.17551	0.6
402.18680	0.7
403.19678	0.7
404.20300	0.7
405.20850	2.4
406.21664	1.6
407.22473	2.2
409.46432	0.4
414.18436	0.7
415.19382	1.6
419.17978	0.6
419.22678	1.0
421.24066	2.7
422.24496	0.6
429.20816	2.2
430.21625	1.0
431.18204	0.7
432.19666	1.0
433.15280	0.6
433.20242	1.6
433.25061	0.6
434.20700	0.4
435.21326	0.7
443.22470	0.7
444.23441	0.6
445.20547	1.3
446.21057	0.5
447.17966	1.2
449.23239	0.7
457.23944	1.5
458.24350	0.4
459.22015	1.3
460.22772	1.3
461.19199	5.6
462.20285	2.1
463.21484	1.3
472.22992	0.5
473.19623	0.5
474.20813	1.3
475.21228	6.9
476.21890	4.9
477.22211	3.2
478.23254	0.4
479.24332	0.4
485.23788	5.0
486.20273	2.5
487.25595	0.6
488.22318	1.0
489.22964	4.1
494.26859	0.6
497.23895	0.8
499.21213	3.5
500.22342	1.1
503.24524	7.2
504.22070	0.6
505.22299	0.9
507.23911	0.6
513.22760	1.3
515.24487	5.4
517.22418	2.2
521.26056	2.8
531.23920	8.1
531.31445	0.6
533.25592	0.7
535.23450	1.1
541.22131	0.5
548.24854	0.7
549.24792	1.8
550.25732	4.0
559.23602	5.0
563.26581	1.5
577.24542	1.5
591.26068	10.9
591.42084	0.4
609.27100	100.0
609.44830	4.2
610.27344	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1458
Annotation	Luteolin 7-glucuronide-4'-rhamnoside
Peak:m/z	Relative Intensity
53.67603	0.1
54.38223	0.1
61.03815	0.1
67.01877	0.2
67.20486	0.1
68.99815	0.2
69.03412	0.1
70.81637	0.2
85.02905	0.2
91.05471	0.2
97.02921	0.1
119.04949	0.9
121.02879	0.3
123.04428	0.2
127.03940	0.2
127.88184	0.1
139.03900	0.6
145.02846	0.4
147.04457	0.1
151.03908	0.3
153.01852	2.6
163.03957	0.3
171.02931	0.3
179.03464	0.1
203.07071	0.1
209.81560	0.1
219.10202	0.4
225.05496	0.2
229.05051	0.2
243.06519	0.2
247.05876	0.1
271.06030	100.0
272.06277	0.6
287.05576	0.2
303.04861	0.5
433.11359	13.1
434.11682	0.1
447.09274	6.4
594.26910	0.1
609.14392	5.5
609.23779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.01849	0.2
55.05481	0.8
67.05496	1.6
69.07035	0.7
69.39256	1.3
79.05490	1.7
81.07057	1.9
83.04957	0.2
83.08588	0.5
91.05482	1.6
93.07055	1.6
95.04922	0.3
95.08593	1.0
97.06474	0.2
105.07050	1.2
107.04951	0.2
107.08599	0.8
109.10124	0.5
117.06998	0.4
119.08546	0.8
120.88208	0.2
121.10110	0.5
128.06177	0.2
129.06976	0.2
131.08524	0.9
133.10080	0.8
135.11661	0.4
143.08519	0.4
145.10127	1.0
147.11624	0.5
149.09631	0.3
157.10123	0.5
159.11658	0.6
161.13286	0.2
171.11653	0.3
172.03992	0.3
173.13217	0.3
183.11662	0.2
195.09102	0.2
197.13268	0.2
204.06667	0.2
209.10690	0.2
221.10565	0.2
227.14471	0.2
239.59187	0.2
257.19083	0.5
261.22006	0.2
275.20020	1.2
300.11154	0.2
314.12756	0.3
348.15485	0.2
361.14587	0.3
362.15384	0.3
363.16058	0.3
376.16830	0.8
377.17618	1.8
378.18692	0.4
379.19229	0.9
389.17670	0.6
390.14182	0.4
390.18561	1.0
391.15582	0.3
391.19348	3.3
392.20020	2.1
393.20700	1.6
402.18719	0.2
403.19296	0.6
404.16257	0.7
404.20575	0.4
405.16364	3.5
405.20947	1.8
406.17136	0.9
406.21942	0.5
407.22452	5.9
408.22977	0.6
417.16891	0.5
418.17392	1.4
419.18280	5.3
420.19183	2.6
421.15344	0.2
421.20248	2.6
431.18680	0.2
432.19467	0.6
433.16037	2.0
433.21155	4.8
434.21262	4.1
435.21829	10.1
436.22653	0.6
446.21487	0.3
447.18185	3.4
447.22757	1.2
448.18237	1.8
449.19470	2.2
451.21646	0.2
460.19211	0.2
461.18750	2.0
462.20413	7.0
463.21262	6.2
464.22156	0.3
466.23346	0.2
475.21341	3.1
476.22211	1.1
479.20004	1.0
489.23038	1.9
490.23978	0.4
491.20532	0.3
492.22305	0.2
493.26376	0.5
494.22897	0.4
506.23059	0.5
507.19357	1.0
508.24414	0.3
511.37747	0.3
517.22327	0.9
520.21295	0.3
521.25708	9.0
533.21320	0.2
534.22650	0.7
549.24982	28.4
550.25793	0.7
553.27686	0.2
566.24323	0.2
577.24780	0.7
579.17365	0.2
581.27692	1.5
609.27057	100.0
609.44666	3.2
610.27551	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.9
55.01879	4.0
55.05517	19.4
57.03439	7.5
57.07076	2.0
65.03932	3.9
67.05508	57.4
67.59440	0.7
68.67300	0.9
68.94982	0.8
69.03435	16.6
69.07072	18.2
69.62402	5.2
71.01351	1.4
71.05004	6.2
73.02899	1.1
74.51805	0.9
77.03941	1.2
79.05498	40.4
81.02714	1.4
81.02917	1.5
81.03423	62.1
81.07061	77.8
83.04984	13.4
83.08634	11.9
85.02917	8.3
85.06550	4.6
89.06042	1.7
90.58766	0.8
91.05486	34.7
93.07048	51.0
95.04967	7.8
95.08612	22.0
97.02893	11.9
97.06533	9.4
97.10185	2.0
98.21484	1.6
99.04457	4.9
99.08099	2.0
100.00695	0.8
103.03972	1.1
103.05467	1.1
105.04509	1.2
105.07038	21.0
105.07690	1.6
107.04981	5.0
107.08608	27.5
109.02888	12.2
109.06520	3.0
109.10164	6.6
111.04453	8.9
111.08079	5.1
115.05465	1.7
117.07030	13.4
119.04951	0.9
119.08596	12.1
121.06511	4.1
121.10152	14.3
123.04424	1.3
123.08092	2.4
123.11721	6.3
127.03944	7.4
128.06221	0.9
129.07010	6.3
131.04979	1.4
131.08580	13.1
133.06543	3.1
133.08614	1.2
133.10138	10.9
135.08073	3.2
135.11700	7.8
137.06042	1.7
137.09647	1.3
139.07640	1.0
141.07024	2.0
143.08600	3.4
144.09261	1.0
145.06509	2.2
145.10124	3.9
147.08089	2.2
147.11679	8.7
149.06033	1.0
149.09697	1.6
149.13268	16.9
149.14378	1.2
151.11180	1.5
155.08525	1.5
157.10162	2.8
159.08058	1.8
159.11708	13.2
161.09589	1.3
161.13245	1.5
163.11269	1.6
165.12750	4.1
167.14334	1.1
169.10159	1.7
171.08076	1.6
171.11774	2.2
173.04507	4.5
173.13277	2.3
175.11250	2.7
177.11354	1.7
177.12802	7.5
183.06596	3.0
183.11729	1.2
185.13242	1.4
189.12703	1.0
193.12286	1.0
195.11969	1.9
195.13785	16.5
197.13298	1.2
199.14854	1.2
213.14761	4.3
219.13834	1.6
227.14429	1.0
229.14366	1.1
233.15512	1.2
237.21481	0.9
239.14413	1.1
245.15457	1.0
247.13455	1.2
249.14975	1.1
251.16455	1.6
257.15347	1.2
261.14957	2.0
267.15976	4.8
269.17560	11.0
275.16428	1.9
285.14923	2.5
287.16397	0.9
293.17545	1.3
297.17169	1.2
303.16028	3.6
311.00232	0.8
311.18756	0.9
321.16946	6.5
335.05038	0.8
335.18942	1.5
335.23962	1.2
339.18048	11.9
371.26038	1.4
377.19785	3.0
389.26996	1.4
395.20694	15.4
445.29593	9.9
451.28659	1.0
452.29706	1.0
463.30655	12.1
479.30130	1.9
511.29755	0.9
522.13623	0.9
529.31537	1.6
547.26898	1.7
553.31848	1.0
571.32831	2.0
589.33667	6.8
607.34985	100.0
608.34698	1.1
639.43848	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.2
52.28826	0.7
53.03947	8.4
53.97288	0.9
55.01878	3.9
55.05269	1.1
55.05517	15.3
57.03448	5.5
57.07073	1.4
58.64311	0.8
65.03943	2.3
67.05508	49.1
67.19607	0.7
69.03433	15.3
69.07072	17.6
71.01365	1.7
71.05002	6.7
71.11402	1.8
75.27837	0.7
77.03915	1.0
79.05497	37.4
81.02715	1.2
81.02921	1.1
81.03423	50.7
81.07059	63.9
82.92515	0.7
83.04986	12.6
83.08624	11.1
85.02912	5.6
85.06544	4.0
89.06043	0.9
91.05486	27.1
93.07048	43.6
95.04984	10.0
95.08617	20.1
97.02897	6.9
97.06522	8.2
97.10175	1.9
99.04482	3.2
99.08096	2.1
103.03958	0.7
105.04523	1.5
105.07034	16.8
107.04979	3.7
107.08602	23.7
107.09308	1.5
109.02890	10.9
109.06530	3.0
109.10156	3.5
111.04438	6.7
111.08067	4.3
113.05978	0.9
115.05442	1.6
117.07028	9.4
119.05007	0.9
119.08572	9.1
121.06506	4.6
121.10146	13.1
121.46503	0.7
123.04503	0.9
123.08106	1.9
123.11713	4.5
127.03934	6.9
129.05476	0.9
129.07004	3.9
131.04938	1.5
131.08575	10.9
133.06532	2.1
133.10130	10.4
135.08066	4.0
135.11702	8.2
137.05966	0.9
139.03925	0.9
139.11220	1.3
141.06985	1.4
143.08563	2.1
145.06520	1.6
145.10149	2.9
147.04366	0.9
147.08083	1.6
147.11656	8.7
149.05983	0.9
149.09637	1.4
149.13261	17.7
151.11133	1.0
151.98030	0.6
155.08630	2.6
157.06531	0.8
157.10170	2.4
159.08066	2.0
159.11703	9.5
161.09608	1.1
161.13348	1.7
165.12747	4.4
167.14319	1.0
169.10146	1.5
171.08035	1.0
172.82243	0.8
173.04532	3.7
173.05824	0.8
173.09703	1.4
173.13245	2.0
175.11214	1.8
177.12727	6.0
181.10144	1.0
183.06581	2.4
183.11771	1.8
185.13327	1.0
193.12201	1.2
195.13818	17.5
195.15479	1.1
197.13327	1.2
213.14925	3.0
215.14328	1.0
219.13782	1.0
231.13963	0.8
233.15462	1.4
239.14363	1.0
239.63367	0.7
249.15018	0.9
251.16466	0.8
253.18175	1.2
257.15564	1.4
261.14886	1.7
267.16006	5.1
269.17542	12.5
275.16464	1.8
285.17313	1.2
293.17447	1.0
297.17111	1.7
299.99603	0.8
303.15939	3.4
311.18552	1.2
321.16931	4.0
339.18066	11.6
349.04260	0.8
353.24667	1.4
371.25751	1.7
377.19534	3.8
395.20670	15.6
396.20267	0.8
445.29602	7.4
463.30566	13.4
479.29797	1.5
487.30521	1.1
529.31592	1.5
533.31018	1.7
571.33032	2.0
589.33679	6.9
607.34869	100.0
608.35205	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.8
53.03740	0.6
53.03950	6.4
55.01878	4.2
55.05513	15.6
57.03437	6.3
57.07070	1.5
65.03943	2.8
65.74648	0.5
67.05506	49.5
69.03432	11.8
69.07070	15.4
69.43696	0.6
69.87786	3.0
71.01360	1.5
71.04996	6.2
73.02920	1.0
77.03917	0.6
79.05494	34.8
81.03420	55.9
81.07057	66.9
83.04982	12.2
83.08617	10.2
85.02907	5.3
85.06532	2.9
87.04447	0.7
91.05482	27.4
93.07047	43.2
95.04979	7.5
95.08609	20.6
97.02896	8.5
97.06539	7.3
97.10163	2.2
99.04464	2.8
99.08102	2.5
101.02386	0.6
101.05975	0.6
103.03901	0.6
103.05466	1.6
105.04518	1.0
105.07033	18.0
107.04964	4.0
107.08595	22.8
109.02878	8.2
109.06508	3.1
109.10146	4.0
111.04450	6.5
111.08086	4.2
115.05455	0.8
117.07018	10.2
119.04957	0.8
119.08588	8.0
121.06544	2.7
121.10145	13.9
123.04411	0.9
123.08090	1.4
123.11720	4.9
125.09646	1.2
127.03924	5.1
128.06203	0.8
129.05534	0.7
129.07028	3.7
131.04938	1.0
131.08580	12.1
133.06522	1.8
133.10133	7.5
135.08083	2.1
135.11697	6.5
137.06026	0.6
137.09659	1.1
139.11140	0.6
141.06996	1.3
142.07646	0.9
143.08571	2.8
145.06529	2.1
145.10109	3.3
147.04431	0.7
147.08066	1.6
147.11694	9.3
149.05968	0.6
149.09636	1.3
149.13257	17.6
151.11224	0.7
153.05533	0.6
155.08580	1.7
157.06488	0.6
157.10109	2.8
158.75311	0.5
159.08070	1.0
159.11699	9.7
161.09665	1.2
161.13245	1.5
163.11208	1.0
165.12785	3.6
167.08559	0.6
169.10144	0.8
171.08299	0.7
171.11693	2.0
173.04494	3.9
173.05821	0.8
173.13281	1.2
175.11159	1.2
177.12738	5.4
179.14333	1.4
181.10220	0.9
183.06592	1.7
183.11674	0.9
185.09630	0.6
185.13249	1.1
192.18503	0.6
193.12323	1.7
195.12012	1.1
195.13795	14.3
213.12907	0.9
213.14919	1.5
219.13760	1.3
229.14308	1.2
233.15463	0.7
237.14980	0.7
240.26770	0.7
245.15547	0.7
249.15018	1.1
253.18054	1.1
257.15262	0.7
261.14938	1.4
267.15967	4.1
269.17450	9.2
275.16510	1.9
285.14600	1.2
287.16470	0.9
293.17493	1.1
297.17072	1.5
303.16010	2.0
321.16895	4.8
339.14130	0.5
339.18042	10.6
353.24683	0.8
356.08392	0.7
361.20837	0.7
371.26083	0.9
377.19495	2.6
395.20679	10.7
395.25598	0.8
445.29456	6.0
463.30576	10.7
479.29901	1.0
487.30325	0.8
529.31677	0.9
533.31024	1.2
553.31500	0.9
571.32489	1.8
589.33850	5.0
607.34766	100.0
608.35187	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04391	0.3
57.69097	0.2
71.39855	0.4
91.30151	0.2
96.15873	0.2
96.36617	0.3
119.90932	0.3
125.76267	0.3
177.87447	0.2
223.12091	0.3
251.37054	0.3
264.89185	0.3
326.16635	0.4
340.60297	0.3
377.18500	0.3
387.15921	0.3
389.17740	0.8
390.18787	0.6
401.18011	0.7
402.18375	0.8
403.15256	0.3
403.19345	2.5
404.19785	1.6
405.20786	2.0
415.19281	0.3
416.20184	0.7
417.16556	1.1
417.21524	3.5
418.21835	2.3
419.22440	4.2
430.17923	1.2
430.22638	0.4
431.18170	7.8
431.23633	0.6
432.18661	2.3
432.24197	0.7
433.19269	0.5
433.24152	7.5
434.24649	1.1
444.19141	0.5
445.19727	9.0
446.20746	3.6
447.21808	4.3
447.27066	0.4
449.23813	0.4
459.21384	4.3
460.22571	8.3
461.23343	8.6
473.23602	3.0
474.24106	0.8
487.24878	1.3
488.25372	0.3
489.23212	0.6
492.25354	0.5
505.21521	2.1
506.26941	0.3
515.24231	0.5
517.22668	0.4
519.24347	1.5
520.24976	0.4
532.25122	0.5
533.25439	0.3
546.22974	0.4
547.27081	22.5
548.27063	0.3
575.26636	0.7
579.30005	0.6
592.26367	0.3
607.29163	100.0
608.29163	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44642	0.2
60.07003	0.2
64.86726	0.2
69.20217	2.0
79.00266	0.2
90.84386	0.2
131.99960	0.2
154.68858	0.2
162.05402	0.2
183.09050	0.2
209.10736	0.2
221.10576	0.2
387.16364	0.4
388.16953	0.7
389.17807	1.2
390.18491	0.4
401.17880	0.5
402.18420	0.9
403.19290	2.8
404.19974	1.2
405.20923	1.5
406.21765	0.3
415.19266	0.6
416.19968	0.7
417.16730	0.9
417.21396	3.6
418.21841	1.8
419.22345	3.4
429.16443	0.3
430.17871	0.8
430.22507	0.3
431.18134	7.7
432.18591	1.8
432.24188	0.4
433.24149	8.1
434.24780	1.0
443.18625	0.4
444.18765	0.4
444.23901	0.3
445.19772	8.7
446.20770	3.8
447.21640	4.2
447.26779	0.3
449.23666	0.5
458.20914	0.4
459.21484	4.3
460.22543	11.4
461.23352	11.8
462.24304	0.4
463.21796	0.2
473.17590	0.3
473.23557	4.0
474.24390	0.9
477.22879	0.6
486.20010	0.3
487.24902	1.4
488.25894	0.5
489.22656	0.5
491.20325	0.2
491.24774	0.6
492.25208	1.0
499.87375	0.2
501.22723	0.3
504.25290	0.3
505.21838	3.2
506.27078	0.5
515.24457	0.5
518.23431	0.3
519.24158	1.9
532.24744	1.1
533.25568	0.7
546.22559	0.2
547.27069	33.3
548.27338	0.5
575.26819	1.2
578.25555	0.5
579.29419	0.8
592.26447	0.3
607.29150	100.0
608.29309	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2916
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
55.80389	1.7
57.07051	1.9
58.70100	1.6
67.05510	1.9
71.53288	2.2
81.70065	1.9
154.08394	1.8
206.58554	1.8
323.94510	2.1
431.18228	3.6
433.23987	5.4
444.18973	2.2
445.20221	5.0
446.20950	2.8
447.22006	3.4
459.21542	2.3
460.22430	10.0
461.23315	11.0
487.25165	2.6
507.40732	2.1
547.26978	26.4
607.29163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2552
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
55.01858	0.3
55.05513	0.5
57.07047	0.4
64.07793	0.3
67.05495	1.1
69.07065	0.6
79.05468	1.3
81.07056	1.8
83.08618	0.4
91.05460	1.2
93.07031	1.1
95.04945	0.4
95.08599	0.8
97.06537	0.4
105.07011	1.5
106.27203	0.3
107.08565	0.7
109.10112	0.5
117.06960	0.4
119.08585	0.9
121.06475	0.3
129.07024	0.4
131.08577	0.7
133.10121	0.6
135.11629	0.3
139.09985	0.3
144.06505	0.4
145.10107	0.8
147.11682	0.5
159.11769	0.5
169.10098	0.4
183.09048	0.4
207.09074	0.3
209.10643	0.4
219.17400	0.3
221.10846	0.5
229.38005	0.3
235.12196	0.4
249.10239	0.3
275.20078	0.7
276.20346	0.3
310.13489	0.3
324.15112	0.3
372.15106	0.3
373.14291	0.5
375.16098	0.9
387.16437	0.6
388.16678	0.9
389.17709	3.8
390.18265	1.1
391.19208	0.8
401.17529	1.0
402.13773	0.5
402.19302	1.3
403.19440	5.0
404.20233	2.1
405.20966	2.7
415.14798	0.5
415.19553	0.5
416.15714	1.5
416.20740	0.6
417.15906	3.5
417.20844	3.2
418.16904	0.7
418.21472	1.4
419.22470	7.7
420.23050	0.7
429.16354	0.6
429.21411	0.4
430.17523	1.5
431.18289	9.3
432.19214	3.3
433.19815	2.6
434.20877	0.3
441.17090	0.5
443.18600	0.6
444.19299	0.5
445.20227	7.7
446.21082	6.4
447.21707	10.0
448.22778	0.5
459.17975	2.3
459.22330	1.1
460.18118	1.0
460.23053	0.8
461.18973	1.5
462.24332	0.6
463.25659	2.1
471.18011	0.4
473.19308	1.1
473.23962	0.6
474.20496	12.2
475.21240	12.7
476.21533	0.4
477.23151	0.8
478.23245	0.5
487.21265	2.7
488.21710	0.8
490.23724	1.8
491.20444	1.5
491.24557	0.9
501.22964	1.4
503.24551	0.6
504.21579	0.3
505.22220	1.2
506.22708	0.5
518.22247	0.3
519.24060	12.5
529.22211	0.4
532.20953	0.6
547.23370	62.7
548.23798	1.5
551.26105	0.4
561.24768	1.1
579.26025	4.9
589.24139	1.0
607.25348	100.0
608.25824	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2912
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
51.33155	0.3
58.40051	0.3
65.80484	0.3
68.88086	0.3
69.16850	1.6
69.17276	1.3
84.64779	0.3
98.20789	0.6
120.77991	0.3
123.84579	0.3
176.43668	0.3
235.12300	0.3
261.02429	0.3
328.17804	0.4
336.15002	0.3
388.17044	0.6
389.17545	1.0
390.27383	0.3
401.17801	0.7
402.18726	1.3
403.19266	3.6
404.19983	0.7
405.20770	1.3
415.19492	0.6
416.19925	0.9
417.16736	0.9
417.21399	3.3
418.21918	1.9
419.22510	2.9
429.21170	0.5
430.17719	0.8
431.18195	6.2
431.23578	0.4
432.19321	1.1
432.23874	0.6
433.23987	7.9
434.25006	0.6
444.19107	0.8
445.19836	8.4
445.25525	0.4
446.20773	4.2
447.21585	2.7
458.21448	0.6
459.21448	3.4
460.22559	7.8
461.23383	9.7
473.23795	2.0
474.24088	1.0
477.22702	0.4
487.24924	1.3
489.22949	0.4
492.25235	0.4
505.21463	1.3
506.27109	0.5
518.22699	0.4
519.27332	1.2
532.24371	0.7
547.27051	31.8
548.27618	0.5
575.26703	0.8
579.29810	0.8
607.29144	100.0
608.29449	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2553
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
67.05503	0.2
70.64816	0.2
70.65174	0.4
73.61654	0.2
90.47513	0.1
93.07077	0.2
93.83927	0.1
103.65151	0.2
110.58578	0.2
162.93027	0.1
170.09692	0.1
197.10779	0.2
207.09247	0.2
209.10762	0.3
219.09286	0.2
221.10754	0.3
223.12276	0.3
298.13470	0.2
299.14740	0.2
312.14679	0.2
313.15598	0.2
314.27774	0.2
322.13553	0.2
338.16742	0.3
340.14438	0.2
373.14615	0.2
374.15335	0.2
375.16415	0.7
376.17368	0.2
386.16827	0.3
387.16257	0.4
388.16959	0.5
389.17599	2.3
390.18481	1.1
391.19330	1.0
399.16187	0.2
400.17346	0.2
401.17899	0.5
402.14127	0.3
402.18640	0.7
403.15634	0.4
403.19476	4.0
404.20093	1.5
405.20853	3.1
406.21384	0.3
412.16544	0.2
413.18213	0.2
415.15167	0.4
415.19894	0.4
416.15662	0.7
416.20786	0.3
417.16223	3.4
417.21155	1.9
418.17804	0.9
418.21777	0.8
419.22470	6.0
420.23264	0.8
429.16663	0.3
430.17856	0.7
431.18323	6.7
432.19235	3.1
433.20062	3.4
435.21982	0.3
443.18741	0.3
444.19547	0.3
445.20181	4.9
446.21017	7.8
447.21747	7.7
448.18054	0.3
448.23343	0.3
458.21109	0.2
459.17459	0.7
459.21997	1.4
460.19061	0.9
461.19565	1.9
462.24377	0.3
463.20331	0.3
463.25098	0.8
473.19513	0.9
473.24240	0.7
474.20456	5.2
475.21188	4.7
477.22864	0.6
478.23859	0.7
487.21387	1.8
488.21863	0.3
490.23608	0.5
491.19980	2.4
501.23044	1.0
503.25143	0.2
504.21548	0.4
505.22229	0.7
506.22897	0.4
518.22906	0.2
519.24078	16.8
520.24219	0.6
529.22717	0.4
532.20929	0.4
533.25482	0.2
547.23358	12.7
548.23535	0.6
550.21710	0.3
551.26758	0.3
561.24902	0.5
575.23053	0.2
579.26038	6.0
589.24426	0.3
607.25513	100.0
608.25787	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	13.0
55.01884	10.2
55.05280	2.1
55.05519	38.2
57.03437	12.3
59.05023	2.5
65.03941	6.2
67.05508	75.3
69.03431	20.6
69.07072	25.5
70.58661	5.9
71.01338	2.3
71.05006	9.4
73.02914	2.5
75.38986	1.8
76.38280	1.7
77.03941	2.3
79.05495	73.8
80.05724	1.8
81.03423	69.0
81.07061	82.3
83.04982	15.8
83.08630	22.5
85.02918	17.8
85.06550	5.8
91.04912	3.0
91.05483	59.2
91.06017	4.0
93.07050	56.3
95.01384	3.0
95.04970	56.5
95.08612	32.9
97.02882	11.5
97.06563	12.4
97.07078	2.3
97.10180	12.6
99.04465	2.6
99.08084	2.8
103.05510	5.0
105.04496	2.8
105.07041	43.2
107.04974	23.0
107.08607	35.9
109.02888	25.4
109.06551	11.2
109.10188	9.8
111.04447	8.8
111.08082	5.9
113.02358	2.6
115.05466	7.8
117.07013	21.3
119.04984	6.3
119.08585	26.1
121.02862	5.7
121.06501	15.4
121.10139	14.9
123.04414	15.9
123.08090	7.0
123.11731	4.4
125.02363	4.5
125.09641	10.9
127.03942	8.3
128.06210	5.0
129.07008	17.2
130.07857	2.6
131.04970	13.5
131.08592	27.3
133.06508	12.2
133.10115	20.9
135.04405	5.0
135.08069	9.1
135.11693	12.7
137.05942	4.3
137.09700	2.8
141.07042	6.0
143.08548	11.9
145.06468	16.7
145.10176	12.0
147.04419	15.7
147.08061	12.3
147.11714	14.7
149.06020	6.9
149.09657	6.3
149.13272	16.1
151.07613	2.0
151.11154	3.6
153.09119	3.6
155.08600	9.2
157.06535	8.4
157.10159	8.5
158.07262	2.1
158.48331	2.1
159.08049	5.4
159.11697	9.8
161.05969	9.9
161.09619	5.8
163.07631	2.3
163.11197	11.5
165.12759	5.0
167.08575	5.5
169.06529	3.9
169.10199	5.1
171.08041	4.3
171.11797	5.6
173.04544	3.6
173.06017	11.9
173.09656	5.3
175.11180	6.6
177.12788	6.3
179.08670	2.0
181.10156	2.4
183.08075	5.3
183.11697	3.7
184.68156	2.1
185.05942	4.0
185.09668	6.5
185.13220	3.7
187.07585	5.3
187.11243	2.6
189.05492	10.2
189.11246	5.0
189.12810	4.6
191.07019	2.7
191.08643	1.9
193.10583	2.2
193.12238	11.6
195.11792	3.3
195.13853	9.6
197.05980	2.1
197.09656	3.5
197.13344	2.4
199.07634	3.2
199.11259	2.8
201.12706	2.3
203.14398	2.5
205.12280	5.9
207.13832	2.7
209.13332	3.8
211.13246	4.4
213.14899	2.7
215.14281	2.1
223.13388	2.5
227.12631	3.0
227.14569	2.9
235.13306	6.0
237.12787	4.9
243.13904	3.1
245.81934	2.1
247.13364	5.1
247.47194	2.2
249.14911	6.0
255.13928	6.4
257.15421	5.5
259.13321	4.8
261.14941	4.8
267.16016	6.5
269.17508	28.9
271.13153	2.8
273.14877	26.6
277.14386	4.7
279.15756	2.5
283.13306	7.0
285.14722	3.7
289.14371	4.7
301.14355	35.7
303.16013	7.7
319.15457	16.1
321.17062	3.9
325.17984	5.0
337.16318	4.2
339.17993	2.9
357.17120	2.4
375.18204	8.5
377.19904	4.6
382.13510	2.1
393.19235	13.3
393.23697	2.6
395.20822	4.5
402.25537	2.2
417.25137	2.7
443.27679	2.4
449.27109	3.1
459.25806	3.7
461.28983	6.1
467.28192	2.5
473.29190	2.7
477.27069	5.4
479.30072	4.8
485.29160	3.5
495.27835	4.4
496.25720	2.2
503.29974	2.6
513.28424	5.0
515.29718	4.1
527.30176	7.2
539.30206	4.4
541.31982	3.6
543.30005	2.4
545.31226	4.5
551.29993	9.6
557.31226	11.9
569.31110	50.2
587.23187	3.2
587.32233	50.5
594.56622	2.4
605.33240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01868	4.2
55.05516	12.8
57.03439	5.1
57.07082	28.7
67.05183	3.0
67.05511	41.7
69.03425	2.0
69.07074	13.8
69.18690	6.0
69.19112	12.7
71.08636	19.3
79.05492	16.7
81.03423	40.8
81.07058	36.7
82.27156	1.6
83.04970	4.1
83.08630	17.0
85.10172	10.3
91.05492	16.1
93.07039	11.9
95.04974	21.0
95.08613	23.5
97.02874	3.1
97.06525	1.8
97.10159	6.5
98.21550	3.6
98.98505	4.3
105.07030	16.2
107.04966	5.2
107.08586	7.4
109.06489	6.1
109.10155	20.2
111.08031	4.1
111.11747	2.6
112.09850	1.7
113.00026	2.5
117.07063	4.5
119.08580	10.9
121.06485	3.2
121.10146	8.2
123.11736	4.9
129.07002	5.6
131.08588	11.1
133.06517	2.4
133.10135	6.9
135.04425	6.0
135.08078	4.8
135.11674	2.9
137.09587	1.9
137.13219	2.4
137.23177	1.8
138.39536	1.6
143.08609	2.7
145.10130	4.5
147.08047	6.0
147.11703	4.8
149.09676	4.0
153.96057	1.9
155.01093	5.6
155.10690	1.6
157.10103	7.8
159.11687	3.2
161.09601	2.0
175.11188	3.7
193.12256	19.4
221.15425	4.9
222.15727	4.1
239.23737	5.8
241.72966	2.0
249.14873	3.9
267.15982	3.8
268.16373	2.3
273.18576	9.5
275.20065	2.4
291.19534	16.9
311.25763	2.7
313.27429	8.7
347.22159	3.6
368.13354	2.5
491.37296	29.0
505.38922	100.0
530.85559	2.1
603.46252	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
57.07074	0.7
67.05500	0.5
69.07034	0.4
69.91213	0.3
70.65254	0.6
70.65578	0.4
71.08627	0.4
71.44397	0.3
81.07052	0.8
90.92542	0.3
91.05489	0.5
93.07055	0.4
95.08633	0.6
96.84186	0.3
107.08582	0.5
109.10187	0.4
119.08534	0.4
121.10178	0.3
274.89923	0.3
298.47028	0.3
313.27454	0.6
401.17911	0.4
402.18195	0.3
413.17941	0.8
414.18451	0.9
415.19165	3.9
416.20035	1.4
417.20685	0.5
427.19351	0.9
428.20010	1.2
429.20856	7.0
430.21527	3.6
431.22235	1.1
433.23822	0.4
442.21964	0.5
443.22729	3.9
444.23517	6.4
445.24216	4.0
448.26324	0.8
455.18835	0.4
456.19672	0.6
457.20200	1.4
457.24832	0.7
458.25424	2.5
459.21143	1.8
459.25659	3.3
470.21136	0.3
471.22052	0.7
472.22714	3.0
473.23431	5.0
474.24399	1.9
485.23511	3.5
486.24121	1.2
487.24988	18.6
488.25467	1.2
489.23138	0.6
498.20480	0.4
500.22269	0.3
501.22568	0.4
503.24939	2.1
503.31772	0.4
507.39752	0.3
513.22900	0.8
514.23804	0.5
517.26544	2.3
529.25958	0.4
531.23907	0.6
545.25470	16.5
546.26263	3.3
573.24872	1.7
577.28107	0.7
590.25348	0.4
605.27582	100.0
606.17719	0.3
606.27545	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
55.05516	13.0
56.29004	2.0
57.03444	3.8
57.07082	22.0
58.24593	1.7
67.05504	43.6
69.07070	12.9
69.42906	4.7
69.43321	9.8
71.08630	16.9
79.05480	8.5
81.03419	41.3
81.07056	28.6
83.04991	3.3
83.08616	17.3
84.28825	1.8
85.10178	6.6
87.65224	1.7
91.05482	16.1
93.07047	10.3
95.04980	11.8
95.08604	22.4
97.10174	3.0
98.98475	2.9
99.11390	2.0
105.07018	10.5
107.04961	3.6
107.08607	7.3
109.06504	2.4
109.10165	20.7
111.08061	2.1
113.00009	3.8
119.08563	8.6
120.21986	2.0
121.06467	3.2
121.10143	4.1
123.11691	4.3
129.06970	5.7
131.08543	7.7
133.10089	4.6
135.11736	2.0
137.09602	2.8
147.07983	2.0
147.11708	3.9
149.09579	2.5
155.01030	5.8
157.10168	4.0
173.11684	3.0
193.12256	31.6
239.23692	3.0
243.97653	1.9
249.14864	5.0
264.86188	1.9
273.18472	2.3
291.19547	3.2
313.27466	2.3
331.26306	2.2
467.38120	2.0
491.37408	37.0
505.38904	100.0
527.96350	1.9
603.38776	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	603.3173
Annotation	trapoxin A
Peak:m/z	Relative Intensity
51.02391	1.5
53.03939	8.0
55.01880	13.5
55.05274	2.1
55.05521	30.6
57.03449	11.7
63.05418	1.5
67.05511	32.1
69.03448	8.2
69.07073	13.2
70.98135	1.9
70.98479	2.9
71.04986	7.9
79.05077	2.9
79.05505	39.3
81.03424	61.5
81.07067	41.3
83.04994	17.9
83.08633	23.3
85.02911	23.5
85.06538	3.0
86.06068	7.0
87.06326	1.6
91.05492	47.2
93.07057	25.0
95.01361	1.3
95.04981	46.3
95.08621	17.0
97.02906	3.7
97.06525	5.7
97.10180	15.9
98.09737	1.4
99.04490	2.3
103.05482	8.3
105.04548	1.6
105.07048	31.9
107.04970	21.1
107.08605	17.4
109.02888	20.0
109.06543	8.1
109.10176	7.0
111.04458	12.9
111.08092	8.6
113.06023	3.1
115.05473	10.9
116.06303	1.5
116.10748	7.1
117.07028	17.1
117.11169	1.7
119.04942	7.0
119.08593	21.7
121.02887	6.8
121.06543	11.7
121.10165	12.7
123.04464	8.1
123.08073	4.5
123.11713	5.6
125.02381	2.4
125.09639	12.0
127.03940	3.5
128.06216	6.5
129.07021	17.4
131.04938	14.9
131.08580	17.8
132.05739	1.5
133.06517	16.5
133.10164	10.2
135.04431	2.8
135.08063	7.8
135.11725	5.7
137.02350	7.5
137.06009	4.1
137.09613	2.4
141.07028	4.9
142.07813	3.9
143.08572	6.7
145.06511	17.4
145.10164	10.0
147.04437	10.1
147.08078	9.3
147.11690	14.6
149.06046	6.3
149.09605	7.0
153.06984	2.6
153.09171	1.6
153.12776	4.7
155.08580	6.0
157.06473	7.7
157.10167	11.5
159.04457	2.3
159.06999	1.6
159.08026	7.6
160.05281	3.3
161.06015	19.6
161.09653	5.8
163.07573	2.7
163.11209	12.8
165.12787	3.6
166.07892	1.8
167.08621	4.3
169.06474	2.8
169.10124	1.8
171.04411	1.8
171.08105	6.5
171.11711	2.2
173.06009	27.2
173.09641	7.0
174.06758	7.5
175.03938	4.6
175.07588	5.4
175.11169	8.8
177.05450	2.9
177.12686	1.8
179.08549	2.9
181.06583	2.5
181.10167	3.5
181.12263	4.6
183.08092	3.5
183.11772	2.6
185.06035	3.5
185.09708	5.3
185.13290	1.7
186.06795	1.8
187.07521	11.2
187.11139	2.6
189.05481	23.2
189.09180	4.0
189.11261	4.5
191.10693	4.8
193.12268	27.8
195.08124	3.6
197.09692	4.1
199.07585	3.6
199.11177	2.7
200.08257	1.8
201.05589	2.2
201.09215	2.9
203.06963	1.6
203.10733	3.0
205.12285	3.7
209.11662	1.6
209.13420	2.1
211.07631	3.4
211.11362	2.4
211.13304	35.2
213.09099	2.1
213.12703	2.2
215.06952	1.9
227.12814	6.4
231.13931	1.6
237.12711	2.4
239.10725	1.6
241.12219	2.1
243.13928	2.0
247.13272	2.3
255.13794	8.5
257.15344	7.1
259.13321	3.0
267.15979	10.5
271.13400	2.8
273.14886	22.6
283.13110	10.8
285.14761	8.5
285.17426	20.1
289.14444	4.5
291.15906	2.7
301.14362	82.8
303.16068	5.4
309.22543	2.1
315.15955	2.2
319.15488	16.1
323.16568	1.9
326.23370	7.1
327.23621	11.4
339.15698	2.0
341.17490	4.3
343.15375	2.9
345.16989	1.8
357.17026	3.6
359.18701	3.9
366.74722	1.5
367.22607	2.2
373.91895	1.4
375.18094	21.3
385.23773	2.6
393.19272	8.5
447.25461	3.5
459.27570	3.6
475.24850	3.6
477.28546	3.7
493.26392	4.5
511.26584	8.9
529.27545	3.4
539.30188	1.9
542.64191	1.6
543.29529	2.7
555.29425	3.5
557.31207	4.9
567.29602	12.7
573.30634	18.7
585.30682	84.4
586.31122	1.6
603.31708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3171
Annotation	trapoxin A
Peak:m/z	Relative Intensity
51.02378	1.4
53.03959	5.4
53.04167	0.9
55.01878	11.1
55.05519	29.0
57.03442	13.2
59.05018	1.2
67.05515	35.2
68.99810	1.6
69.03437	7.4
69.07084	8.8
70.56844	2.4
71.01353	1.9
71.04999	6.0
73.02912	0.8
77.03929	1.8
79.05503	44.9
81.03429	66.4
81.07068	36.5
83.04992	14.0
83.08630	20.4
85.02529	0.6
85.02914	28.2
85.06566	3.1
91.05494	45.7
93.07058	26.8
95.01355	1.6
95.04985	48.4
95.08620	15.0
97.02923	5.9
97.06523	6.0
97.10184	14.9
97.39273	0.8
98.14791	0.8
99.04467	2.3
99.08107	1.6
103.04842	1.1
103.05482	7.0
105.03413	2.3
105.04510	1.5
105.07047	34.5
107.04977	17.7
107.08611	14.9
109.02895	20.1
109.03600	1.4
109.06525	7.3
109.10184	6.8
110.86992	0.8
111.04456	12.9
111.08097	10.5
113.05989	1.4
115.05480	9.5
116.06226	1.7
117.07029	19.5
119.04966	6.5
119.08596	19.4
121.02892	6.5
121.06527	13.4
121.10162	11.7
123.04481	5.6
123.08045	4.5
123.11722	3.5
125.02383	2.4
125.06017	1.2
125.09641	10.7
127.03951	2.5
128.06253	5.6
129.07019	17.4
131.04945	14.5
131.08582	17.1
133.06508	13.8
133.10146	10.7
135.04445	4.6
135.08058	6.2
135.11742	4.8
137.02397	5.1
137.06033	3.8
137.09654	2.2
139.03908	2.1
141.06975	6.2
142.07790	4.2
143.05013	1.7
143.08572	9.6
144.05779	1.6
145.06506	17.1
145.10155	11.1
146.07294	0.9
147.04425	9.4
147.08064	8.9
147.11702	11.6
149.06013	7.8
149.09642	8.3
151.03943	1.2
151.07596	1.4
151.11285	1.3
153.07011	2.2
153.09129	2.2
153.12842	4.1
155.08591	6.2
157.06505	8.0
157.10135	10.2
159.04471	3.2
159.08090	7.6
159.11710	3.0
160.05196	5.4
160.83517	0.8
161.05994	19.5
161.09669	6.7
163.03998	1.3
163.07593	1.8
163.11205	12.3
165.05521	2.5
165.07021	2.0
165.12837	2.2
166.07806	1.0
167.08609	2.8
169.06573	3.5
169.10173	2.7
170.07382	0.9
171.04456	3.8
171.08069	7.5
171.10291	1.3
171.11778	2.2
173.06006	28.0
173.09624	4.7
174.06792	7.0
175.03920	5.3
175.07542	6.4
175.11189	10.5
177.05547	2.6
177.12822	1.1
178.07895	1.0
179.08617	1.9
181.06503	1.6
181.10196	2.5
181.12248	4.0
183.08092	4.5
183.11740	2.1
185.06000	3.9
185.09639	3.6
185.13280	1.7
186.06836	2.8
187.07571	13.6
187.11201	1.7
189.05508	25.5
189.07254	1.3
189.09160	3.3
189.11296	4.1
189.12811	1.5
190.06245	2.3
191.07086	1.1
191.08740	0.8
191.10681	5.4
193.05014	1.0
193.10435	1.8
193.12277	29.3
193.14104	1.4
195.08026	4.0
195.11789	1.9
197.06099	1.5
197.09692	2.9
199.07622	3.7
199.11263	1.5
200.08365	1.6
201.05530	1.3
201.09126	3.8
201.12796	1.5
203.07072	2.3
203.10751	2.2
203.14423	1.1
205.12260	1.7
209.09746	1.9
209.11667	1.3
209.13420	2.1
211.07597	1.7
211.11319	2.4
211.13303	33.5
213.09189	2.6
213.12796	3.7
219.11787	1.5
223.07860	1.1
223.11359	1.7
223.13303	1.9
225.09277	1.6
225.12881	1.1
227.12508	6.8
227.14690	1.6
229.12302	2.3
231.13902	1.5
237.12799	3.3
239.10786	1.2
241.12288	1.9
243.13837	1.8
245.15430	2.1
247.13406	1.0
255.13844	8.8
257.15405	6.2
259.13382	3.1
265.12164	2.0
267.16003	11.7
269.12546	1.0
271.13330	2.4
273.14877	25.2
283.13156	13.4
285.14813	8.6
285.17508	15.6
287.16675	1.1
289.14395	7.3
291.15930	2.0
295.16702	0.9
297.14822	1.3
301.14349	79.1
303.15961	5.3
311.16516	1.8
313.17764	1.3
315.15997	2.1
319.15451	14.9
323.16534	2.9
325.14343	0.9
327.15982	1.4
329.17517	1.5
331.15503	1.1
337.16742	1.3
339.16025	1.9
341.17569	4.4
343.15482	1.1
345.17145	1.5
347.18704	1.6
349.21634	1.0
357.17026	5.1
359.18637	3.5
367.22650	1.9
371.73022	0.9
375.18112	21.3
385.23871	2.1
393.19092	7.7
447.25488	3.2
457.24008	1.9
459.27396	6.0
465.26541	1.7
475.24860	3.6
477.28543	3.9
483.27362	1.6
493.25970	6.6
501.29367	0.9
511.27020	4.0
513.28302	1.3
525.28973	1.6
527.30347	1.2
529.28192	3.2
539.30035	3.2
543.29871	1.9
549.28772	1.6
555.29639	3.0
557.31219	3.2
567.29645	13.2
573.30640	23.4
585.30688	83.7
586.31610	1.1
603.31732	100.0
604.32373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3163
Annotation	Withalongolide K
Peak:m/z	Relative Intensity
53.03937	6.6
55.01880	13.0
55.05513	39.8
57.03458	12.0
67.05506	37.1
69.03432	4.7
69.07056	9.1
71.04996	5.8
79.05491	43.2
81.03426	53.2
81.03880	1.9
81.07066	40.6
83.04991	16.9
83.08624	22.0
85.02905	22.0
85.06563	3.6
85.14495	2.5
91.05479	45.9
93.07047	30.1
95.04972	49.6
95.08615	16.8
97.02877	4.6
97.06512	3.7
97.10163	20.8
98.20792	6.0
103.05464	5.7
105.07028	27.3
107.04950	18.9
107.08595	15.6
109.02889	10.9
109.06525	6.5
109.10175	7.8
111.04452	13.3
111.08087	8.7
113.06042	2.4
115.05476	8.8
117.07040	13.5
119.04980	5.0
119.08573	22.0
121.02888	10.3
121.06498	12.3
121.10160	9.4
123.04440	8.5
123.08067	6.5
123.11691	4.0
125.09636	10.8
128.06242	6.9
129.07021	14.4
131.04910	16.7
131.08588	17.0
133.06488	15.4
133.10141	8.9
135.04378	4.1
135.07985	12.6
135.11665	5.4
137.02359	5.2
137.06041	2.6
141.06981	7.4
142.07797	5.2
143.08563	6.9
145.06506	23.4
145.10120	11.3
147.04422	12.5
147.08104	8.2
147.11676	8.3
149.05986	7.2
149.09624	9.6
153.09084	3.9
155.08559	9.6
157.06520	7.9
157.10130	11.5
159.04410	3.6
159.08080	9.3
159.11638	3.6
160.05209	6.7
161.06001	19.4
161.09637	4.5
163.11183	13.1
165.12689	3.1
167.08603	4.7
169.06514	4.7
169.10197	3.7
171.08061	10.4
171.11766	3.6
173.06003	34.1
173.09572	4.3
174.06746	8.3
175.03926	5.0
175.07574	6.5
175.11234	11.6
181.12155	4.1
183.08167	5.5
183.11786	3.1
185.06041	4.7
185.09692	3.5
186.06770	4.6
187.07539	18.9
189.05490	25.6
189.11287	7.6
191.10670	4.9
193.10703	2.8
193.12230	17.4
195.08107	3.8
195.11821	4.0
197.09659	3.1
199.07610	7.9
201.05434	3.6
201.09163	6.0
203.06996	3.3
203.08865	2.7
203.10712	4.5
205.12270	3.2
209.09621	4.0
211.07494	4.4
211.13301	24.2
213.09219	3.3
215.06915	3.6
221.09686	3.2
227.12817	9.1
240.53827	2.6
243.13762	2.5
255.13895	9.0
257.15436	6.5
259.13324	5.2
267.15948	8.6
271.13406	3.1
273.14862	20.4
282.59869	3.1
283.13199	14.7
285.14481	15.8
285.17505	5.3
289.14340	4.6
295.16843	3.3
297.14795	4.9
299.16611	4.4
301.14322	71.2
303.16019	5.7
311.16562	3.6
313.14532	3.0
315.16095	7.1
319.15414	8.9
323.16519	7.1
325.14600	5.5
339.16165	3.2
341.17398	17.5
343.15430	17.0
357.17245	4.4
361.16544	5.7
375.18085	19.8
393.19168	6.9
447.25418	4.5
451.24725	2.9
465.26749	4.2
475.24881	5.8
493.25931	11.7
511.26996	19.8
525.28381	3.8
529.27991	3.2
539.30273	4.7
543.29633	31.2
555.29523	8.0
557.31653	4.5
567.29541	28.2
573.30579	23.2
585.30585	100.0
603.31689	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.0
55.01878	4.2
55.05522	18.9
57.07061	8.8
59.04997	2.7
60.59865	2.5
63.91918	2.2
65.03912	5.5
67.05509	28.9
69.03432	12.8
69.07069	19.1
69.37496	18.7
71.04999	2.9
75.26849	2.2
79.05496	32.4
81.07062	44.5
82.07392	3.7
83.04981	21.2
83.08624	13.0
85.06553	6.7
87.04437	3.4
91.05487	58.8
92.05804	5.2
93.06489	3.9
93.07053	68.7
94.07359	4.0
95.04984	21.1
95.08611	32.7
97.06532	10.3
97.10203	3.9
103.05476	4.9
105.04520	2.9
105.07041	100.0
106.07346	7.1
107.07881	4.2
107.08601	75.6
108.08927	5.8
109.06530	15.3
109.10159	24.6
111.08096	8.1
113.09637	6.3
115.05445	6.9
117.07018	21.6
119.08591	91.5
120.08926	7.2
121.06487	11.1
121.10149	76.7
122.10466	4.7
123.08091	17.7
123.11684	11.9
125.09634	11.0
128.06233	17.0
129.07024	19.1
130.07851	4.4
131.08592	41.3
133.06467	2.9
133.10138	52.6
134.10440	3.4
135.08084	16.4
135.11703	17.0
137.09602	8.5
139.11171	6.4
141.06970	10.7
142.07831	25.3
143.08578	42.3
144.09261	12.3
145.06488	3.4
145.10146	64.4
146.10512	7.7
147.08043	10.6
147.11674	24.1
148.11992	3.3
149.09641	20.7
149.13258	3.0
151.07596	6.3
153.06990	3.7
154.07796	3.6
155.08586	17.5
155.10681	6.5
156.09363	20.6
157.10147	64.5
158.10719	12.3
159.08078	18.8
159.11713	42.1
160.12022	7.9
161.09612	13.7
161.13255	6.7
163.11200	10.5
165.06996	6.1
165.09073	6.7
166.07799	5.6
167.08659	12.9
167.10686	55.7
168.09317	8.6
168.10933	3.4
169.10150	28.1
170.10771	10.7
171.11671	32.8
172.08844	4.2
172.11972	5.7
173.09608	7.2
173.13310	16.6
174.13675	2.7
175.11220	9.2
175.14832	9.1
179.08549	11.1
179.14244	2.9
180.09203	5.7
181.10069	17.1
181.12222	6.5
182.10873	10.7
183.11703	26.8
184.12135	6.1
185.09593	4.2
185.13228	19.3
186.13655	4.0
187.11183	10.0
187.14853	15.8
189.12775	8.1
191.14340	5.8
192.09315	5.6
193.10165	16.3
193.11784	2.6
194.10815	10.3
195.11699	31.1
196.12297	8.0
197.13254	26.8
198.13693	7.8
199.11145	6.6
199.14806	14.1
201.12758	6.1
201.16394	5.8
203.14349	5.6
204.14659	3.1
205.15918	2.7
206.10918	6.0
207.11771	12.3
207.13533	3.7
208.12343	6.0
209.13225	22.4
209.15179	5.5
210.13802	6.8
211.11139	3.2
211.14798	17.5
212.15355	5.0
213.12746	8.4
213.16309	6.2
215.14354	6.8
219.11624	7.1
220.12386	6.0
221.13196	15.5
221.15376	21.0
222.13794	6.0
222.15750	5.2
223.14851	13.1
224.11563	2.8
225.12775	3.5
225.16348	9.5
227.14346	6.1
227.17949	2.8
231.11749	5.2
232.12329	3.2
233.13196	8.1
233.15364	28.9
234.13808	4.6
234.15919	5.0
235.14658	12.3
236.15457	5.4
237.16443	7.5
238.16811	2.7
239.14340	5.5
239.18045	3.1
241.15578	2.8
243.11752	3.5
243.69987	2.7
245.13239	4.2
247.14769	5.9
249.16434	3.1
250.16823	3.9
251.17888	5.1
253.15887	5.3
253.19380	4.6
255.17413	11.5
256.17859	7.7
257.18942	4.8
260.15463	3.1
261.16425	8.2
262.17038	3.5
263.17831	7.6
265.19400	4.0
269.19037	7.4
270.19644	3.6
273.18719	4.5
275.17703	5.8
276.18271	3.2
277.19363	3.8
279.21198	3.4
281.18958	4.2
283.20538	4.3
285.18695	4.8
286.19122	3.5
287.20218	3.7
289.19534	4.2
295.20651	6.2
299.20062	5.4
329.22614	3.4
335.23499	3.6
347.23721	2.8
349.25128	3.5
361.25201	4.0
366.25275	3.3
383.25876	5.0
384.26157	4.6
491.34534	2.8
565.40344	5.4
568.38464	3.2
583.41144	8.4
601.42242	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.0
55.01867	4.1
55.05514	24.8
57.07076	17.7
59.04990	5.1
65.03931	3.4
67.05512	32.5
69.03422	13.3
69.07072	25.9
69.79879	9.1
69.86443	1.8
71.04979	4.3
71.08630	3.6
75.89465	1.9
77.03923	3.1
79.05492	35.3
81.03414	17.6
81.07058	46.8
82.07390	2.1
83.04968	15.4
83.08614	16.3
85.06542	5.7
87.04462	6.3
89.06036	7.0
91.05476	61.3
92.05831	2.7
93.07045	75.7
95.04972	23.6
95.08611	44.3
96.08910	2.6
97.06561	11.5
97.10181	3.0
98.20663	2.5
103.05462	6.9
105.04546	2.8
105.07035	100.0
106.07360	6.3
107.04970	4.5
107.08597	74.1
108.08898	6.2
108.40176	2.3
109.06535	17.2
109.09492	2.1
109.10162	32.8
111.08094	6.5
111.11723	2.8
113.09621	5.7
115.05438	10.6
116.06214	3.2
117.07025	25.2
119.08582	95.8
120.08931	6.2
121.06510	12.4
121.10151	72.9
121.11034	3.4
122.10483	7.2
123.08059	21.5
123.11686	9.2
125.09632	14.9
128.06194	12.9
129.07027	22.3
130.07800	10.7
131.08571	39.5
133.06476	5.2
133.08609	4.0
133.10139	56.7
134.10530	3.0
135.08046	17.1
135.11702	16.5
137.09601	8.5
137.13293	2.6
139.11211	4.7
141.06978	11.4
142.07808	22.7
143.08578	42.0
144.09372	10.0
145.06387	4.1
145.10130	68.4
146.07277	2.3
146.10490	7.8
147.08098	11.4
147.11664	20.4
149.09616	21.5
149.13268	4.1
150.10002	2.9
151.07576	6.7
151.11206	4.8
151.14844	2.5
153.09000	2.6
154.07841	3.6
155.08575	22.7
155.10637	9.2
156.09317	18.1
157.10139	53.1
158.07362	2.1
158.10582	9.3
159.08083	16.3
159.11708	39.0
160.05186	3.4
160.08464	3.4
160.12039	6.7
161.05962	7.0
161.09634	17.8
161.13252	7.5
163.11201	8.0
164.11369	2.2
165.06964	7.8
165.09105	10.4
166.07747	5.4
167.08611	9.8
167.10677	51.8
168.09258	7.0
169.10132	30.3
170.10870	10.1
171.11678	34.1
172.12119	8.6
173.06003	4.9
173.09576	8.6
173.13268	17.2
174.13623	5.9
175.11250	14.1
175.14766	11.2
176.11557	3.0
177.12750	2.1
178.07758	3.6
179.08505	11.8
180.09286	8.7
181.10150	21.8
181.12216	7.5
182.10791	8.5
183.08099	2.5
183.11691	26.7
184.12163	5.5
185.09616	2.1
185.13266	19.0
186.13649	4.9
187.11154	6.0
187.14839	12.9
189.09076	2.5
189.12766	7.8
191.14256	7.0
192.09315	3.5
193.10175	14.9
193.11891	1.8
194.10910	11.1
195.11682	29.8
196.12373	12.9
197.09604	3.5
197.13286	26.5
198.13617	5.0
199.11201	4.3
199.14796	14.0
200.15401	2.7
201.12735	7.0
201.16382	5.6
203.10657	2.8
203.14319	7.6
205.10056	4.4
206.10843	7.3
207.11662	15.7
207.13635	4.3
208.12373	7.5
209.13284	23.9
209.15234	4.5
210.13821	8.5
211.11131	3.6
211.14827	17.5
212.15269	3.7
213.12737	7.0
213.16432	4.3
215.14345	8.1
217.15811	5.8
219.11662	7.4
219.13655	2.6
220.12411	6.6
221.13200	16.9
221.15379	20.2
222.13870	5.3
222.15793	3.6
223.14748	14.3
224.15302	3.6
225.12794	5.5
225.16367	7.8
227.14308	5.9
229.15828	4.2
231.11798	3.7
232.12312	3.2
233.13274	5.8
233.15363	28.7
234.15994	5.1
235.14684	10.9
236.15375	4.6
237.12617	3.8
237.16374	7.1
239.14381	3.3
239.17900	5.8
241.15823	3.5
243.11752	3.1
244.12422	2.4
245.13200	5.2
246.13977	4.9
247.14735	7.1
247.17003	2.4
248.15344	2.7
249.16417	6.0
251.17899	6.2
253.15941	2.8
255.17465	9.2
256.17816	7.3
257.19168	3.0
259.14752	5.1
260.15408	2.6
261.16318	6.2
262.16852	4.7
263.17947	4.5
265.19498	5.2
267.17468	4.0
269.18970	8.5
271.13226	9.6
271.20462	4.6
273.18607	5.1
275.17856	5.1
277.19336	4.0
281.19040	4.8
282.19565	2.3
283.20377	5.0
285.18640	3.6
287.20065	4.2
289.14316	3.2
295.20459	3.7
299.20270	4.4
301.21774	3.3
311.20102	2.5
313.27335	6.5
317.22375	2.6
329.22357	2.5
345.16928	4.7
349.25165	2.6
361.25037	2.5
365.24854	2.6
366.25311	3.2
491.34317	2.7
565.40204	6.2
583.41193	11.3
601.42175	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	601.072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93821	0.8
56.96569	83.6
70.76243	1.7
70.98125	4.8
71.95247	1.7
74.97607	3.4
84.96040	24.0
88.99135	1.8
90.96490	0.9
91.05489	11.2
97.02913	1.3
98.97591	50.6
100.99148	1.3
101.00867	1.5
102.97071	2.0
110.97580	18.1
112.99135	1.9
114.97055	1.5
116.98634	15.2
117.03370	1.4
119.01934	1.4
119.04955	20.2
120.05296	1.1
124.95442	3.3
124.99146	2.8
126.97061	2.0
128.98616	18.9
132.98114	1.6
134.99657	2.8
135.04428	1.0
138.97023	1.6
139.03885	1.6
140.98608	3.0
142.96513	3.1
143.00183	9.5
143.01877	1.3
144.98064	4.0
146.99693	9.7
147.04417	84.6
148.04756	5.5
150.97017	1.4
150.99127	2.4
152.94930	1.0
153.01845	1.7
156.98094	8.4
158.99692	10.6
160.97597	1.7
161.01245	5.6
162.99239	1.5
163.00543	1.1
163.03932	6.8
165.00700	3.5
168.98148	1.8
169.01776	1.5
170.67854	0.9
170.96019	3.3
170.99600	2.0
172.97598	5.8
173.01274	2.5
173.02792	1.1
174.99182	14.9
175.00627	2.2
175.24403	0.9
177.00671	5.1
177.02229	3.5
181.01677	1.5
183.01640	1.1
184.97559	3.7
185.01173	2.0
185.02994	1.0
186.99179	10.1
187.02869	1.0
188.97092	5.4
189.00696	3.9
189.02313	1.3
190.98586	4.9
191.00177	3.8
191.02324	1.9
193.00200	7.9
193.01796	2.3
195.03339	10.1
197.01169	1.3
201.00742	2.7
202.98560	3.7
203.00223	11.3
205.00180	7.3
205.01810	3.8
206.98137	1.4
207.01718	2.8
209.01219	3.5
210.99045	1.0
211.01018	1.2
211.02809	1.3
212.97249	1.0
213.04343	7.4
214.98645	4.8
217.00073	1.6
217.01894	1.5
219.01750	3.3
221.01237	36.6
221.03043	6.9
223.01060	2.0
223.02844	3.1
229.00150	2.0
230.98112	2.9
232.99648	3.8
233.03291	1.4
235.03082	5.2
237.02869	2.0
239.02281	100.0
244.02785	1.5
245.01367	4.4
248.98741	7.5
251.02316	1.3
253.03915	9.1
254.04750	1.6
257.03363	34.3
261.00662	1.4
261.02972	1.4
262.03860	2.3
263.02594	6.9
266.99966	5.9
271.04904	2.1
272.99118	1.1
275.02277	2.8
277.00360	1.1
279.01797	12.5
281.03583	10.8
285.00836	3.5
289.03867	1.8
291.00024	5.9
293.03290	1.1
297.02835	3.9
299.04379	2.1
303.01941	5.3
305.03397	1.6
307.04263	1.2
309.01376	2.7
311.04437	1.4
315.01746	1.6
316.97931	1.2
319.00977	2.2
321.02881	8.8
323.04160	1.2
326.96677	1.0
330.99649	4.3
333.02698	2.0
334.99271	2.3
335.03244	2.0
339.03680	2.7
344.97540	1.2
349.00751	12.5
351.03848	3.4
359.00134	2.9
361.00668	4.6
365.03958	1.3
367.02301	4.6
377.01712	43.1
389.00540	2.2
391.03918	1.4
395.02838	43.8
403.03400	1.9
407.01297	4.7
409.04605	2.9
413.03925	24.3
418.04333	1.9
419.01700	2.9
427.05566	1.4
431.04736	3.6
437.02777	6.7
439.08200	1.4
461.04327	1.3
469.12552	1.3
477.03668	1.9
495.04492	1.8
505.02670	1.2
553.04932	1.5
593.43896	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.8
55.05515	20.0
56.36787	1.9
57.07058	8.4
65.03933	4.1
67.05237	2.2
67.05512	22.5
69.03435	15.6
69.07078	16.8
69.16092	23.8
71.04993	6.1
79.05497	34.5
81.07059	35.7
83.04987	15.8
83.08627	11.3
85.02902	3.7
85.06528	8.9
87.04471	4.0
91.05486	51.8
93.07042	60.5
95.04970	21.8
95.08614	35.8
97.06523	9.0
98.20714	4.3
103.05452	6.1
105.07034	100.0
107.04919	3.4
107.08598	62.0
109.06525	19.4
109.10162	27.9
111.08036	4.5
113.09652	4.7
115.05459	8.7
116.06204	2.3
117.07016	22.9
119.08585	82.8
120.09357	4.4
121.06527	13.3
121.10147	54.7
122.07293	2.9
123.08086	29.8
123.11691	6.8
125.05986	4.3
125.09615	9.7
128.06230	16.7
129.07018	27.5
130.07790	10.8
131.08575	48.7
132.09438	4.4
133.06497	5.1
133.10136	44.8
134.10857	2.5
135.08054	20.3
135.11691	9.6
137.09615	13.4
139.11160	4.6
141.06987	9.1
142.07787	36.0
143.08571	47.6
144.09360	15.8
145.06425	4.3
145.10129	73.9
146.10841	2.3
147.08063	23.4
147.11691	20.1
149.09621	19.7
149.13200	2.2
151.07521	9.0
151.11115	3.5
153.07011	5.3
153.09030	2.4
154.07748	6.4
155.08582	20.9
155.10634	8.5
156.09343	25.6
157.10135	88.8
158.07280	3.5
158.10928	12.6
159.08046	22.1
159.11688	49.4
160.08784	6.5
160.12384	2.9
161.09621	23.0
161.13242	11.2
162.10405	3.2
163.11147	12.4
165.06953	7.7
165.09120	20.5
165.12814	2.9
166.07747	4.4
167.08551	11.5
167.10680	16.0
168.09325	7.2
168.10687	2.7
169.10146	35.5
170.10851	10.3
171.07999	4.3
171.11690	40.6
172.08743	4.3
172.12451	6.7
173.09647	17.4
173.13245	30.7
174.10408	3.5
175.11179	27.7
175.14819	3.4
177.12756	3.9
179.08562	12.1
180.09338	7.3
180.11436	2.8
181.10159	22.4
181.12199	7.9
182.10930	10.9
183.08095	4.9
183.11714	29.0
184.08856	2.5
184.12445	9.3
185.09641	5.2
185.13252	25.9
186.14027	5.4
187.11115	11.3
187.14809	10.9
189.12738	10.3
189.16370	3.7
190.13503	7.6
191.10706	3.5
191.14404	5.5
192.09320	5.9
193.10120	18.1
193.12112	5.5
194.10971	11.0
195.11679	29.8
196.12523	12.6
197.09547	6.7
197.13284	27.7
198.13860	3.8
199.11147	14.5
199.14738	10.7
200.11844	3.5
200.15518	2.5
201.12735	9.5
201.16232	3.0
203.14293	22.8
205.10197	4.4
205.15877	2.7
206.10866	7.0
207.11679	18.8
207.13812	8.8
208.12479	12.1
208.14441	4.8
209.13261	33.4
210.14032	3.7
211.11205	5.6
211.14812	23.1
212.11917	3.0
213.12834	10.7
213.16396	8.9
215.14310	9.0
216.15108	3.7
217.10159	4.0
217.15825	4.2
218.10971	2.8
218.16563	2.6
219.11699	8.6
219.13748	4.4
220.12428	7.6
221.13226	15.5
221.15352	48.2
222.13994	3.2
223.14804	18.6
225.12746	10.1
225.16360	7.2
227.14294	8.0
229.15901	6.2
231.11681	4.9
232.12462	4.6
233.13210	8.3
233.15366	28.5
234.13965	3.5
234.16133	8.4
235.14888	12.5
235.16852	3.7
236.15387	5.0
237.14769	9.1
237.16469	9.5
239.14194	5.6
239.17867	3.6
241.15886	5.2
243.13916	3.3
245.13269	5.3
246.13971	4.4
247.14766	10.9
247.17017	5.3
249.16382	9.4
250.17365	2.5
251.14209	4.3
251.18022	6.2
253.15845	5.6
253.19453	3.7
255.17430	36.6
257.18988	2.4
259.14789	5.6
261.16318	5.9
263.17947	8.6
265.15817	3.9
265.19467	5.8
267.17523	5.2
268.18161	3.6
269.18918	8.0
270.19748	10.4
271.14532	3.1
273.18536	7.5
274.19336	5.6
275.17892	4.2
277.19406	6.0
279.17383	7.8
281.18933	7.7
285.18466	7.1
286.19287	9.5
287.20215	4.9
289.19467	4.5
294.19794	3.2
295.20493	5.0
297.18414	4.0
299.20190	10.5
303.19620	18.7
307.20554	3.7
311.20300	3.2
313.21619	6.8
321.22052	3.1
325.21628	7.4
331.20636	2.8
337.21646	3.9
347.23468	4.4
349.21405	3.2
352.23978	36.2
365.24765	14.8
377.24673	4.3
383.25763	8.3
502.34018	6.8
507.34683	5.4
520.35699	20.5
567.37537	3.1
582.40643	4.8
585.38831	4.5
600.41626	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89183	1.7
51.86814	1.7
53.03936	4.3
55.01868	4.5
55.05514	15.5
57.07080	13.1
57.45892	1.7
57.57509	2.0
57.75864	1.7
58.72717	2.2
59.04994	3.4
62.42710	1.5
64.50817	1.8
65.03936	5.2
67.05511	24.0
69.03437	18.0
69.07076	16.5
69.21181	14.8
70.06612	2.1
71.05003	4.1
77.03924	3.0
79.05500	30.8
80.06280	2.3
81.07065	30.9
83.04984	17.3
83.08622	6.8
83.34055	1.7
85.06551	7.1
89.06045	6.8
91.05482	55.1
92.06259	2.9
93.07047	62.7
95.04987	18.0
95.08617	36.4
95.09181	3.6
97.06556	10.6
98.20725	3.7
99.04475	1.8
101.90247	2.1
103.05490	2.9
105.04509	3.2
105.07036	89.5
106.07849	2.9
107.04964	4.2
107.08599	57.8
109.06520	20.9
109.10150	15.1
111.08112	5.5
113.09660	2.1
115.05466	6.6
116.06268	3.0
116.07092	3.6
117.07019	25.2
119.04932	2.0
119.08588	82.1
120.09431	2.9
121.06510	14.9
121.10155	53.4
122.07275	3.3
123.08073	28.4
123.08947	2.1
123.11758	4.1
125.05999	4.7
125.09655	6.5
128.06239	12.8
129.07008	27.2
130.07788	8.5
131.08569	43.5
132.09360	4.3
133.06503	8.9
133.08621	2.7
133.10136	37.0
135.08069	28.5
135.11700	13.6
136.08905	2.4
137.05965	5.7
137.09608	16.6
139.07533	3.7
140.44060	1.7
141.06978	8.6
142.07799	27.9
143.08575	55.2
143.09695	3.9
144.09366	15.6
145.06464	3.9
145.10136	64.9
146.10840	3.1
147.08051	33.9
147.11691	16.1
148.08873	3.4
149.09656	21.5
149.13220	2.2
151.07571	16.4
151.11163	3.5
153.06999	3.0
153.09084	2.0
154.07759	2.9
155.08580	21.5
155.10626	4.7
156.09357	21.9
157.10143	77.8
158.07213	2.3
158.10910	11.4
159.08080	19.9
159.11702	37.4
160.08839	5.3
161.09634	21.9
161.13251	10.8
162.10472	2.1
163.07492	2.0
163.11195	16.2
165.06987	8.1
165.09119	44.0
166.07814	3.2
167.08546	8.6
167.10686	11.6
168.09378	7.4
169.10118	27.0
170.10947	11.8
171.08055	4.2
171.11705	38.6
172.08844	3.2
172.12476	7.8
173.09641	13.9
173.13260	19.3
173.85599	2.0
174.10443	2.6
175.11205	27.8
175.14914	6.1
177.09181	3.0
177.11325	2.6
177.12778	5.5
178.07770	2.7
179.08598	8.1
179.10661	5.3
180.09369	6.1
180.11505	1.9
181.08667	2.5
181.10141	15.8
181.12227	10.4
182.10931	7.8
183.08186	2.7
183.11707	33.0
184.12463	5.6
185.09663	7.3
185.13254	20.3
186.10428	3.1
186.13921	2.1
187.11171	13.8
187.14853	4.8
188.12001	2.2
189.12753	12.2
190.13574	13.2
191.10677	2.8
191.14346	5.3
192.09390	3.3
193.10376	12.0
193.12024	12.1
194.10896	7.9
195.11705	25.7
195.13498	3.0
196.08873	3.1
196.12526	7.6
197.09683	5.2
197.11664	2.3
197.13304	26.4
198.10315	2.3
198.13930	3.1
199.11189	11.4
199.14853	7.2
201.12761	6.7
203.14317	29.5
205.10150	3.2
205.12164	2.7
206.10936	5.1
207.11711	13.2
207.13837	16.6
208.12473	6.2
208.14645	7.4
209.13313	18.5
209.15366	4.6
210.14017	4.4
211.11218	7.4
211.14789	15.1
213.12839	10.3
213.16382	3.5
214.13333	2.2
215.10796	4.3
215.14320	4.7
217.10158	2.9
217.12437	2.0
217.16016	2.8
218.16713	5.1
219.11690	6.3
219.13817	5.1
220.12520	6.8
221.13280	15.3
221.15347	88.3
222.13951	3.3
223.11208	5.1
223.14861	12.6
224.15616	2.2
225.12834	10.8
225.16307	8.5
227.14369	5.6
229.12274	4.1
230.13086	3.8
231.11639	2.5
231.13750	2.9
232.12451	3.5
233.13222	7.5
233.15436	21.4
234.10358	1.9
234.14053	3.0
234.16148	13.6
235.14952	11.9
237.12723	6.2
237.14740	35.6
238.13510	2.8
239.14317	4.5
241.15912	4.8
243.13794	3.9
245.13191	3.4
245.15401	2.8
246.14011	4.3
247.14989	3.3
247.16985	10.8
248.13905	13.6
249.12640	2.1
249.16400	7.5
250.15712	4.4
251.14209	3.9
251.18224	2.4
253.15996	6.9
253.19495	2.1
255.17450	27.6
257.13135	2.6
259.14709	3.8
259.17178	3.0
260.15527	2.6
261.16360	10.9
263.17993	3.8
265.15945	4.5
265.19696	2.7
267.17496	3.7
268.18188	4.5
269.19089	5.6
270.19794	7.2
271.14597	2.8
271.17261	3.6
271.20615	3.0
272.17755	2.5
273.18610	4.0
274.19357	12.7
275.17941	4.8
279.17505	6.3
281.19058	5.9
285.18524	5.7
286.19354	16.9
287.20181	11.5
294.19806	6.9
295.20468	3.5
297.18478	5.5
298.19370	4.0
299.20154	18.0
303.19543	57.3
305.19025	3.1
307.20529	2.6
311.20151	3.4
312.20850	7.6
313.21899	11.0
319.20850	2.2
322.23090	2.6
325.21646	17.6
326.22125	2.3
337.21533	10.0
351.23224	3.0
352.23990	100.0
359.23715	2.7
365.24835	21.4
377.24744	5.5
383.25775	5.2
401.28049	2.0
420.30380	4.4
439.28793	2.3
454.31491	2.4
463.31854	2.3
487.32080	4.7
502.34424	13.1
503.35324	8.6
505.33176	5.9
507.34827	11.2
508.35312	3.1
520.35510	57.1
567.38116	3.0
582.40466	4.7
583.41913	2.3
585.39178	5.2
600.41528	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01865	1.4
55.05508	4.9
57.07079	14.4
59.04991	4.7
65.03935	2.6
67.05508	12.2
69.03421	10.2
69.07064	6.8
69.23185	12.1
79.05491	13.4
81.03406	1.9
81.07056	20.4
83.05002	5.7
83.08601	2.1
85.06554	6.0
89.06048	2.1
91.05475	29.8
91.06023	2.2
93.07045	33.5
95.04979	10.1
95.08044	2.3
95.08609	22.4
97.06514	6.4
98.20802	2.7
103.05483	3.3
105.04450	1.2
105.07031	54.2
106.07861	2.6
107.04990	1.8
107.08582	24.0
109.06528	16.3
109.10159	6.1
111.08091	2.0
115.05434	2.6
116.06198	1.4
117.07020	15.1
118.07838	1.4
119.05014	1.4
119.08583	60.7
120.09402	1.9
121.06491	8.2
121.10146	22.0
122.07294	1.8
123.08069	21.9
123.11741	2.1
125.06010	12.9
128.06232	7.9
129.07005	12.3
130.07782	3.5
131.08565	25.7
132.09328	3.6
133.06503	5.0
133.08606	2.3
133.10135	26.4
134.10866	1.5
135.08057	17.6
135.11713	6.3
137.06027	1.4
137.09610	15.6
139.07547	3.3
141.07011	5.5
142.07776	12.6
143.08557	24.1
144.09361	7.7
145.06480	2.6
145.10118	41.7
146.10715	1.7
147.08044	31.4
147.11710	8.2
148.08562	1.5
149.05978	1.4
149.09605	13.0
151.07539	13.0
151.11229	2.0
153.09146	1.6
154.07751	2.9
155.08562	12.4
156.09351	9.8
157.10139	34.6
158.07219	1.6
158.10933	6.0
159.08080	7.8
159.11693	24.0
160.08754	2.2
160.12413	1.5
161.09637	11.4
161.13264	8.2
161.14452	1.2
162.10402	1.6
163.07599	1.2
163.11189	23.4
165.06982	3.9
165.09114	49.7
166.09506	3.2
167.08595	5.5
168.09364	4.9
169.10124	17.1
170.10907	5.3
171.11703	18.6
172.08839	1.4
172.12361	3.3
173.09628	9.8
173.13268	9.0
174.10330	1.7
175.11179	24.5
175.12575	2.1
175.14824	2.7
177.09164	5.5
177.12802	2.8
178.09889	2.3
179.08578	2.5
179.10727	1.8
180.09293	2.6
180.11455	1.8
181.10268	8.4
181.12234	20.6
182.10945	5.6
183.08090	1.3
183.11696	14.9
184.12431	3.5
185.09673	5.2
185.13217	11.6
187.11209	8.0
187.14842	4.4
188.11896	1.5
189.12729	8.9
190.13486	8.2
191.10703	4.1
191.14375	3.1
192.09491	1.4
193.10179	5.8
193.12260	14.1
194.10936	3.4
195.11722	8.2
195.13617	2.8
196.12483	3.5
197.09589	3.0
197.13225	10.9
198.13950	1.4
199.11304	7.3
199.14835	3.9
200.11887	1.3
201.12755	6.6
203.14328	22.3
205.12350	2.2
206.10986	2.0
207.11743	5.9
207.13843	11.1
208.12581	2.5
208.14613	9.7
209.09697	2.1
209.13263	7.9
209.15251	2.1
210.13974	2.5
211.11319	3.5
211.14835	9.8
213.12643	6.8
213.16336	2.1
215.10631	1.7
215.14348	4.0
216.15062	2.3
217.12300	2.4
219.11890	2.6
219.13852	8.1
220.12453	2.0
221.13354	4.5
221.15358	100.0
222.15712	11.9
223.11226	1.9
223.14874	4.1
224.15720	1.3
225.12798	4.8
225.16399	4.0
226.13649	2.2
227.14322	4.9
227.17982	1.7
229.12273	1.8
229.15874	3.6
230.16873	1.3
231.13914	3.0
233.13293	3.3
233.15443	3.9
234.13884	2.8
234.16119	23.2
235.14841	3.6
237.12805	5.1
237.16345	2.6
239.14345	2.7
239.17932	2.2
240.18678	1.4
241.12192	2.1
241.15935	3.9
243.13950	2.2
245.15479	2.1
247.14548	3.2
247.16939	28.5
248.17648	4.1
249.16512	3.0
251.14426	2.9
253.15811	4.5
255.17542	1.6
256.18286	1.3
256.26276	1.9
257.15359	1.9
259.16983	5.2
260.17761	2.2
261.18704	2.6
263.14331	1.9
263.18002	2.7
265.15958	2.5
266.16473	1.5
267.17413	1.5
269.08643	1.4
269.15479	1.8
271.17032	2.9
273.18640	2.3
274.19330	12.5
277.16003	1.9
277.19479	1.5
279.17584	3.3
281.19135	2.7
283.16891	2.4
283.26379	2.3
285.18552	3.7
286.19305	4.2
287.20102	13.2
297.18552	3.6
298.19284	3.1
299.20078	21.1
300.20877	4.9
307.20514	2.5
310.19315	1.9
311.20093	2.7
312.20859	10.4
313.21796	7.8
323.19946	1.8
325.21588	16.5
326.22403	2.2
327.23291	3.2
337.21814	3.6
339.23062	7.7
340.24020	20.0
352.23987	31.0
353.24686	2.1
365.24637	6.7
366.25775	4.9
377.24847	2.6
379.26273	4.1
387.25473	4.9
391.26328	3.2
392.26996	4.7
400.26236	2.9
402.27603	1.7
413.26895	4.8
419.29318	9.5
420.30185	5.1
425.26862	10.9
426.27686	5.3
427.28439	19.0
428.28976	2.7
440.29193	50.1
442.30637	2.4
453.30148	1.5
454.31055	2.1
466.16470	1.2
493.33530	1.3
494.33920	2.2
505.32941	1.9
507.35049	4.2
508.35388	4.9
520.35474	41.9
521.36151	2.6
582.40656	1.7
585.39435	3.2
600.41553	44.5
600.55981	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	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
55.05496	6.1
57.07082	10.4
59.04990	2.7
67.05489	7.1
69.03436	9.4
69.07052	6.6
72.85859	2.2
79.05495	15.8
81.03385	1.8
81.07058	17.7
83.04965	7.2
85.06545	3.8
91.04982	2.2
91.05495	23.5
92.06253	3.3
93.07053	28.7
95.04948	9.9
95.08606	17.2
97.06553	4.8
98.21152	12.5
105.07034	48.8
107.04964	2.5
107.08605	26.3
109.06516	10.1
109.10133	5.6
111.16598	2.2
117.07018	14.4
119.08585	51.3
120.09346	2.0
121.06496	7.2
121.10165	17.9
123.08090	18.3
125.05968	10.6
128.06229	2.7
129.06987	7.7
131.08556	20.9
132.09383	3.5
133.06497	4.1
133.10136	21.2
134.10861	1.8
135.08064	19.5
135.11670	6.2
137.05965	2.7
137.09634	13.6
139.07518	2.4
142.07779	9.7
143.08583	19.7
144.09352	4.2
145.10133	43.2
147.08052	28.5
147.11673	7.3
148.08432	2.4
149.09622	14.2
151.07553	11.2
155.08580	11.6
156.09303	6.1
157.06419	2.4
157.10149	32.2
158.10857	4.0
159.08041	7.5
159.11682	18.7
160.12335	2.8
161.09676	10.8
161.13268	6.9
162.10208	2.2
163.07501	2.5
163.11176	19.5
165.09120	48.5
166.09424	3.2
167.08562	5.3
168.09300	2.7
169.10155	10.5
170.10840	5.8
171.07977	2.3
171.11688	14.4
173.09619	7.4
173.13266	6.8
175.11198	22.1
177.09091	3.8
177.12636	2.3
178.09860	2.9
179.08557	2.0
180.11542	2.0
180.88327	1.8
181.10159	6.1
181.12276	18.5
182.10875	6.0
183.11758	13.8
184.12427	2.9
185.09587	3.3
185.13306	10.7
187.11211	8.6
187.14828	2.3
189.09113	1.9
189.12738	7.3
190.13516	8.8
191.10646	5.5
193.10495	2.8
193.12175	11.2
195.11685	8.6
195.13803	2.9
197.09692	2.4
197.13237	8.2
198.10475	2.0
199.11189	7.3
199.14827	3.5
201.12776	6.2
203.14351	20.2
204.14693	2.1
207.11760	4.0
207.13795	12.8
208.12520	4.2
208.14545	8.7
209.13289	5.5
209.15147	2.5
210.13989	3.0
211.11295	2.9
211.14822	7.9
212.15536	1.9
213.12778	5.7
215.14340	4.6
219.13789	6.9
221.13356	6.2
221.15364	100.0
222.15746	11.4
223.14799	4.8
223.16791	1.8
225.12654	3.4
225.16309	2.3
227.14340	2.4
229.12250	2.4
229.15965	4.5
233.15337	5.8
234.14055	2.8
234.16148	17.6
237.12766	4.1
239.14220	2.3
240.18671	1.9
241.15866	3.5
245.13263	2.5
247.16951	29.2
248.17677	4.1
251.14320	4.5
251.18085	2.1
253.15623	2.2
259.16928	3.2
261.18481	2.6
263.17886	1.9
267.17523	2.1
269.15424	3.3
271.16898	3.5
273.18463	2.8
274.19412	15.8
279.17502	2.2
281.18826	3.3
285.18375	3.7
286.19180	5.5
287.20068	11.8
297.18521	4.2
299.20132	22.8
300.20831	2.6
307.20618	3.3
311.19962	4.2
312.20807	10.1
313.21851	8.6
325.21637	16.8
327.23227	2.6
337.21365	3.4
339.23309	8.6
340.23990	16.5
352.24017	29.9
365.24655	6.8
366.25528	4.7
379.26132	4.0
387.25150	3.1
391.26236	3.2
392.26694	3.4
411.25104	2.8
413.26785	5.4
419.29315	9.7
420.30127	4.9
425.26840	11.1
426.27530	3.8
427.28452	16.4
440.29254	60.4
442.30914	3.5
454.31036	3.4
508.35419	4.5
520.35510	48.5
521.36047	3.0
582.40253	3.0
585.39703	2.4
600.41516	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.3
55.01862	2.8
55.05507	20.4
57.07075	8.7
59.05009	3.0
65.03941	5.6
67.05507	30.7
67.36369	1.6
69.03438	12.7
69.07069	16.9
71.05003	8.2
77.03904	1.5
79.05067	2.7
79.05495	34.6
80.06285	1.8
81.03444	2.0
81.07066	42.2
83.04975	17.9
83.08636	16.0
85.02865	2.3
85.06528	7.8
87.04471	5.0
89.06033	14.5
91.05489	53.6
92.99250	1.7
93.07051	63.9
95.04972	24.2
95.08611	33.1
97.06538	18.4
98.21521	3.9
99.08074	2.1
103.05447	5.3
105.04523	2.6
105.07037	100.0
106.07857	3.4
107.04951	4.2
107.07874	3.8
107.08602	70.5
109.06509	20.0
109.10159	34.4
111.08087	5.7
113.09632	5.5
115.05447	8.2
116.06230	2.4
117.07021	23.2
118.07804	2.1
119.04961	2.8
119.08586	85.2
120.09380	3.9
121.06509	14.7
121.10152	60.4
123.08070	32.5
123.11695	5.5
125.09626	10.1
128.06233	19.1
129.07016	26.7
130.07791	11.6
131.08588	51.5
132.09360	3.5
133.06490	7.6
133.08643	8.5
133.10136	54.8
135.08057	21.3
135.11725	13.3
137.09624	10.2
139.11163	6.0
141.06996	11.4
142.07797	31.7
143.08571	53.5
144.09361	14.6
145.06480	7.7
145.10135	78.7
146.07321	2.2
146.10880	3.9
147.08046	18.8
147.11726	20.3
149.09631	17.3
149.13193	3.0
151.07581	10.2
151.11174	2.2
152.06238	2.6
153.06989	6.1
153.08972	1.8
154.07756	7.4
154.90213	1.7
155.08574	23.9
155.10651	15.8
156.09363	26.8
157.10138	75.7
158.07275	2.0
158.10910	12.7
159.08076	24.9
159.11696	52.3
160.08842	6.9
160.12402	3.5
161.09642	18.8
161.13252	7.9
162.10426	2.4
163.11188	10.4
165.07001	10.2
165.09099	6.4
166.07784	5.7
167.08582	16.7
167.10677	17.2
168.09433	10.1
168.10645	2.2
169.10143	36.3
170.10905	14.8
171.08060	2.8
171.11705	46.3
172.08824	3.0
172.12489	6.7
173.09642	11.0
173.13240	23.6
174.10349	2.5
175.11191	22.1
175.14844	5.6
177.11287	3.1
177.12776	3.6
179.08560	14.5
179.10721	3.1
179.14282	3.9
180.09322	9.2
181.10117	23.8
181.12206	5.1
182.07310	1.7
182.10927	15.4
183.11697	32.5
184.12453	5.0
185.09644	5.2
185.13266	25.4
186.14099	2.9
187.11200	9.8
187.14845	10.9
189.12750	10.8
190.13528	5.2
191.10539	2.0
191.14272	6.0
192.09378	8.2
193.10120	19.3
193.12173	5.2
194.10912	13.0
195.11707	36.5
195.13483	3.6
196.08850	2.2
196.12480	11.1
197.09613	4.5
197.13284	31.6
198.13995	3.5
199.11200	8.5
199.14775	18.4
201.12831	8.3
201.16499	2.1
203.08455	2.9
203.14279	10.0
205.10292	3.3
205.12242	2.6
206.10930	7.8
207.11694	21.1
207.13774	7.0
208.12527	10.4
208.14223	1.9
209.13301	30.3
209.15312	4.5
210.10510	2.8
210.14020	4.5
211.11211	7.4
211.14799	22.7
212.11951	2.6
212.15623	2.1
213.12758	13.9
213.16313	8.3
215.14365	8.6
217.10092	5.0
217.12106	2.8
217.15860	4.6
218.11046	2.4
218.16640	3.5
219.11812	8.6
219.13692	2.4
220.12471	5.8
221.13269	15.1
221.15393	19.1
222.14044	6.7
223.11208	2.3
223.14830	19.0
225.12846	8.2
225.16350	8.6
227.14322	7.5
227.17932	3.5
229.15919	4.2
231.11717	5.6
232.12459	4.8
233.13206	8.3
233.15379	27.6
234.14006	3.1
234.16165	4.2
235.14836	10.0
236.15594	2.6
237.12772	3.3
237.16451	19.2
239.14337	3.5
239.17972	6.0
241.15881	5.8
243.11646	3.7
243.17424	2.5
245.13332	8.5
246.14052	4.6
246.16235	3.6
247.14853	8.2
247.17015	2.7
248.15613	2.8
249.16374	11.5
250.17102	3.1
251.17964	7.4
253.15834	5.4
253.19716	2.3
255.17447	37.8
257.13214	3.3
257.19006	2.9
259.14795	5.3
260.15646	4.0
261.16354	8.3
262.16849	2.1
263.18011	10.3
265.15814	3.2
265.19449	5.8
267.17392	4.0
268.18243	4.0
269.16190	1.9
269.18823	8.1
270.19824	8.1
271.17130	3.6
271.20502	3.4
273.16083	3.4
273.18524	5.1
274.19357	2.4
275.18039	6.1
277.19363	4.2
278.58350	2.2
279.17468	3.3
281.18982	8.7
282.19864	2.5
283.14648	2.2
283.20618	5.6
285.18527	6.0
286.19379	3.9
287.20331	3.5
289.19565	5.2
291.17242	2.4
294.19809	2.6
295.20547	5.8
297.18542	5.5
298.19299	2.8
299.20038	6.6
301.19312	2.4
303.21024	2.0
307.20398	3.3
311.20084	2.4
325.21564	2.1
334.22659	2.4
335.23825	2.3
345.22275	2.8
347.23608	5.6
349.25253	2.0
365.24643	8.4
371.23352	1.9
379.25809	2.1
383.25906	9.1
415.25510	5.4
453.31046	2.3
461.58844	1.7
498.98145	1.8
520.35522	2.8
538.42700	1.7
567.38312	3.5
582.40479	4.3
600.41614	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	600.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.2
56.52264	0.2
57.07057	0.2
62.06063	0.5
65.03938	0.2
67.05509	1.4
68.06187	0.2
68.63564	0.2
69.03409	0.2
69.07073	1.3
70.06557	0.5
71.04967	0.2
71.08634	4.7
71.53880	0.2
72.08173	0.9
72.08473	0.2
77.03971	0.1
79.05471	0.7
81.03384	0.7
81.07063	1.9
83.05000	0.8
83.08628	1.0
84.08161	1.2
86.06068	2.9
91.05454	0.6
93.07017	0.9
94.06548	0.3
95.04948	0.7
95.08617	1.3
96.08137	2.3
97.06505	0.4
97.10165	0.2
98.06026	0.7
98.09699	2.4
99.08099	2.1
105.06998	0.3
107.07349	0.2
107.08579	0.6
108.08109	1.6
109.10111	0.6
110.09649	0.3
110.10416	0.2
111.04419	0.6
111.08064	0.4
113.08347	0.2
114.09183	0.3
116.10736	14.2
119.08543	0.2
121.06482	0.6
121.08874	0.2
121.10137	0.4
122.06873	0.2
122.09666	1.2
124.07584	0.3
126.09109	0.2
135.11662	0.2
136.11182	0.6
138.09146	0.2
140.10680	0.6
142.12283	0.2
143.10664	1.6
149.13283	0.9
150.12766	0.3
152.14331	0.3
154.12297	0.2
154.15906	3.1
159.11646	0.3
164.14349	0.5
166.15930	2.0
167.14299	0.4
168.17513	0.8
176.88597	0.2
178.15924	1.4
196.16975	6.9
214.18024	100.0
215.18394	0.4
231.15901	0.5
238.18019	0.6
239.16338	0.3
256.19104	0.2
257.17535	0.9
292.22836	0.2
310.23715	1.2
328.24655	0.2
367.78448	0.2
369.19073	0.4
407.82843	0.2
408.30997	0.5
415.68356	0.2
459.27493	0.6
484.29181	0.6
497.90158	0.2
502.30197	1.9
564.35358	0.3
582.28711	0.2
582.36578	2.4
600.37469	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
54.99712	2.0
55.05498	7.6
55.22934	1.9
57.07084	14.3
59.04998	4.1
60.77592	1.8
64.79835	1.7
67.05508	12.6
69.03436	12.2
69.07066	8.1
70.01239	4.5
70.01634	4.5
71.04967	2.0
79.05495	16.2
81.07050	26.4
83.04978	7.9
83.08589	2.6
85.06532	7.5
89.06023	7.4
91.05484	31.8
92.06293	2.2
93.07046	36.6
93.25201	1.9
94.07827	2.8
95.04994	9.8
95.08067	2.2
95.08617	23.7
97.06515	8.1
103.05485	2.2
104.71968	2.2
105.07039	52.4
106.07841	2.4
107.08598	28.7
109.06520	15.0
109.10143	8.3
111.07986	1.9
117.07039	14.4
119.04967	2.1
119.08587	63.1
120.09359	4.8
121.06491	7.6
121.10136	23.3
122.07307	2.0
123.08064	20.0
123.11716	2.9
125.06026	11.0
128.06198	4.7
129.06996	10.3
130.00945	2.2
130.07768	4.8
131.08577	23.1
132.09349	2.8
133.06491	4.4
133.08589	4.5
133.10143	26.7
134.10899	3.5
135.08038	19.1
135.11697	6.1
137.05959	3.2
137.09607	12.4
139.07527	2.2
141.07016	6.0
142.07733	12.6
143.08594	23.8
144.09311	7.7
145.06444	2.3
145.09052	3.4
145.10130	44.7
147.08052	32.7
147.11674	7.4
149.09631	15.6
151.07549	14.0
151.11150	2.1
152.08212	2.0
152.74023	1.9
155.08505	12.9
156.09329	10.1
157.10139	38.4
158.10831	6.0
159.08069	9.3
159.11696	26.0
160.08841	3.8
160.12480	2.3
161.09644	13.4
161.13264	9.3
163.07681	2.1
163.11172	27.8
165.06978	4.1
165.09122	49.6
167.08568	5.4
168.09344	3.5
169.10144	14.5
170.10881	5.3
171.08006	3.8
171.11681	19.8
172.12500	4.3
173.09680	10.7
173.13289	10.2
175.11188	21.9
175.14807	2.7
176.11966	2.7
177.09152	3.6
178.09901	3.3
179.08519	4.1
179.10818	2.3
179.43874	2.0
180.11429	2.8
181.10068	10.1
181.12218	24.2
182.10918	5.2
183.11713	15.3
184.12404	3.6
185.09554	3.8
185.13205	11.8
186.10396	2.2
187.11151	8.4
187.14764	3.5
189.12764	9.2
190.13496	8.9
191.10620	6.6
191.14313	3.6
192.09280	2.3
193.10191	6.1
193.12219	16.4
194.10831	2.2
195.11752	12.8
196.12421	5.9
196.80725	1.8
197.09566	2.3
197.13263	13.8
198.10544	2.6
199.11108	9.4
199.14813	3.1
201.12776	8.1
203.14297	22.6
207.11821	3.8
207.13806	14.8
208.12691	3.1
208.14600	10.4
209.13234	8.0
209.15198	3.0
211.11127	5.1
211.14793	8.5
212.11917	2.9
213.12732	6.1
215.14243	4.1
217.12224	2.4
219.13823	9.4
221.13374	7.3
221.15366	100.0
222.15701	8.7
223.14824	6.5
225.12784	2.2
225.16341	3.9
227.14383	3.7
233.15388	6.2
234.16133	24.2
235.14755	3.7
235.16884	3.2
237.12801	4.5
237.16472	2.9
239.14282	3.7
240.18706	4.2
241.15874	2.9
243.13826	2.6
245.13332	2.5
247.14586	4.2
247.16954	34.9
248.17542	3.9
249.16425	3.3
251.14391	3.3
253.15941	3.2
259.16895	5.8
265.15997	2.5
267.17340	3.6
269.15573	3.2
269.18750	2.0
271.16980	5.0
271.29279	2.1
273.18414	2.2
274.19351	13.1
279.17432	3.1
281.19009	3.6
283.16992	2.4
285.18579	4.4
286.19312	3.8
287.20090	11.8
297.18576	3.8
298.19205	2.7
299.20068	17.8
300.20801	4.7
311.20044	6.0
312.20834	8.8
313.21613	7.6
325.21628	18.5
327.23172	4.7
337.21536	7.2
339.23178	8.1
340.23987	17.4
352.19934	3.3
352.23956	32.2
365.24704	6.3
366.25421	3.9
379.26465	3.6
387.25247	6.2
391.26300	5.6
392.26996	2.5
400.25989	2.8
402.27341	2.6
413.26672	6.5
415.25238	2.7
419.29468	8.0
420.30228	3.0
425.26813	11.8
426.27478	4.6
427.28555	17.0
440.29242	63.7
442.30881	4.5
505.33240	2.8
507.14468	2.2
507.34924	3.7
508.35010	4.9
520.35492	50.2
585.38855	5.6
600.41565	33.6
600.55853	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42771	0.6
53.03088	0.7
55.01790	1.0
55.05402	5.6
55.05705	2.6
56.06245	0.9
56.54252	0.7
57.06998	1.1
57.07236	0.7
67.05376	7.1
67.05779	2.3
69.03316	1.1
69.06930	5.2
69.07354	1.7
70.06496	1.3
70.46803	1.8
70.47141	0.8
71.04894	1.4
71.07273	0.9
71.08501	2.3
72.08017	4.2
72.32333	0.7
74.36525	0.7
79.05364	2.8
81.03275	3.1
81.06913	8.3
81.07446	2.1
83.04831	6.4
83.08476	6.4
83.09013	1.2
84.08046	1.5
85.02797	1.0
85.06456	0.8
86.05922	24.1
86.06504	4.1
91.05327	2.7
93.03299	1.2
93.06895	5.3
95.04809	5.3
95.08443	3.6
96.07976	3.0
97.06378	2.7
97.10100	1.1
98.05973	1.7
98.09536	13.0
98.10244	1.9
98.32642	0.7
99.08002	1.3
101.05880	0.8
105.06931	1.6
107.08421	3.8
108.07946	2.6
109.09995	3.0
110.09579	1.5
110.10284	0.9
111.04279	5.0
111.07922	2.4
111.08616	0.8
114.09051	1.4
115.05267	0.8
116.10564	68.1
117.06918	0.7
119.08454	1.1
121.02764	1.0
121.09966	2.6
121.10729	0.7
122.09495	3.9
123.07922	0.8
123.11588	1.0
124.07410	2.2
129.06848	0.8
131.08429	1.3
133.09976	0.9
138.09019	1.5
139.03799	1.4
140.10551	1.0
142.12132	1.6
143.10666	7.1
149.13071	7.1
151.42931	0.6
159.11539	1.6
167.14293	4.1
195.13710	0.8
196.16866	1.1
214.18036	15.5
217.28670	0.7
228.12918	0.8
231.15955	4.1
234.62047	0.7
238.17932	1.2
239.16432	4.1
257.17294	2.6
264.22971	0.6
268.22784	0.9
274.21719	0.9
292.22662	5.0
310.23752	26.2
328.24927	5.7
456.29504	2.6
459.27490	3.1
466.27921	3.4
484.29047	17.3
502.30148	100.0
503.30209	1.8
542.07184	0.9
564.35754	1.2
582.36853	9.3
600.37518	34.7
601.37799	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01859	1.3
55.05516	3.0
57.03423	0.7
63.99802	0.6
67.05504	8.8
69.07062	2.9
69.99929	0.9
70.00281	2.7
70.06604	0.7
71.04988	0.8
74.00658	2.5
74.69386	0.6
76.02218	1.7
79.05503	6.4
80.05016	1.7
81.03402	1.6
81.07057	17.9
83.04987	1.5
83.06109	1.5
83.08617	2.2
84.04506	4.5
85.01125	1.4
85.06537	1.0
86.00610	0.6
86.99007	0.6
91.05489	7.5
93.07056	6.4
94.06597	0.7
95.04980	2.5
95.08613	9.0
96.96336	0.8
97.01124	1.2
97.06544	1.3
98.20853	1.4
99.01423	2.9
99.02721	0.7
99.08115	0.6
100.02193	5.1
105.07033	6.9
107.04942	1.4
107.08608	4.0
108.08118	0.9
109.06531	3.7
109.10170	3.2
111.02659	0.7
111.08104	0.9
112.02207	6.0
113.00617	0.7
113.02976	1.6
113.04230	0.8
114.03766	7.5
115.05777	0.9
116.01669	1.6
117.07019	2.1
119.08602	4.8
121.06503	1.0
121.10149	2.1
123.08076	1.0
123.11725	1.1
126.03754	2.9
129.06577	1.6
130.04991	1.0
131.08574	2.6
133.10130	3.9
134.09676	1.0
135.02635	0.6
135.11723	1.7
136.03929	0.7
137.04152	0.8
138.03709	2.1
139.03995	0.8
140.01666	1.0
140.05305	6.1
145.10188	1.9
147.11655	3.6
149.09604	1.6
149.13242	1.5
152.05307	1.7
153.06580	1.0
154.06837	2.2
156.17290	0.7
159.11729	1.2
163.11177	0.8
166.06879	1.7
168.08435	13.9
169.10081	0.8
171.11687	1.1
173.13240	1.5
181.06142	0.8
185.03813	1.9
189.73958	0.7
191.14342	1.2
202.04156	1.1
209.15407	2.0
216.05663	2.6
231.04306	3.2
233.05931	1.0
236.14595	1.3
241.06253	0.9
255.08026	3.1
264.14166	5.1
265.14984	0.8
269.09686	1.9
270.10309	5.8
271.06024	1.3
271.10983	1.2
272.06561	1.4
275.20117	5.9
281.14508	2.0
282.15225	29.4
293.21008	1.0
308.09042	1.8
323.16150	1.2
333.18906	2.5
350.21573	9.3
351.19952	1.5
368.22537	12.2
378.20956	1.1
384.17160	10.9
385.17953	2.6
453.24231	100.0
525.26184	3.8
582.28595	1.2
600.29303	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01869	0.8
55.05262	0.6
55.05513	7.5
56.05039	0.8
57.03446	0.6
57.07080	0.7
62.06079	0.9
62.40047	0.4
65.03927	1.1
67.05172	0.6
67.05507	6.5
69.03446	0.8
69.07068	7.2
70.06590	2.1
70.78473	1.1
71.04978	0.9
71.07400	0.7
71.08632	3.2
72.08156	5.0
73.06566	0.5
79.05493	2.6
81.07060	8.3
83.04990	5.9
83.08624	6.3
84.08145	1.4
85.02914	0.4
85.06546	0.7
86.06072	27.2
91.05488	1.2
93.03421	0.7
93.07040	5.4
94.06585	0.5
95.04980	3.6
95.08624	4.2
96.08133	4.7
97.06534	2.7
97.10171	1.6
97.84991	0.4
98.06054	1.3
98.09698	15.4
99.04464	0.6
99.08099	1.4
107.08603	4.0
108.08147	3.0
109.10135	2.1
110.06063	0.5
110.09696	1.1
111.04435	5.4
111.08092	2.2
114.09173	1.4
116.10738	71.1
117.07047	0.4
119.08570	0.8
121.02856	0.9
121.10174	2.1
122.09648	2.6
123.11684	0.5
124.07583	1.7
125.09634	0.8
126.09175	1.0
129.05499	0.5
129.09167	0.4
131.08551	0.4
133.10106	0.8
134.09650	0.8
135.11671	1.2
136.11292	0.9
138.09171	0.8
139.03923	1.9
140.10692	1.1
142.12299	1.9
142.66357	0.4
143.10683	6.5
149.13264	8.7
152.10707	0.6
157.04962	0.4
159.11708	1.2
166.15977	0.5
167.14322	2.9
177.12779	1.0
195.13670	0.5
196.17003	1.0
203.23012	0.4
214.18036	14.6
231.15871	5.4
238.18051	1.5
239.16411	4.5
246.22235	0.7
257.17542	3.6
262.21729	1.4
264.23254	1.1
268.22687	0.6
274.21756	1.9
292.22714	5.6
310.23758	24.7
328.24902	6.6
353.95285	0.4
369.19000	0.6
382.86755	0.4
387.03375	0.4
408.31201	1.4
438.28629	0.8
456.29633	3.7
466.28250	2.8
484.29071	17.0
502.30136	100.0
503.30267	1.0
564.35370	1.3
582.36353	9.8
600.37451	34.1
601.37860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01870	1.1
56.72444	0.4
57.03427	0.8
65.03907	0.4
70.28905	1.7
77.01400	0.4
79.05495	1.3
81.03427	0.9
81.07065	0.5
85.02907	2.7
89.07224	0.5
95.04967	1.3
97.02866	0.9
98.20884	0.7
99.64192	0.5
103.03978	0.6
105.04556	0.9
107.04962	100.0
109.02872	0.9
115.05491	0.5
116.33669	0.4
121.02869	1.6
123.04420	0.9
125.38811	0.5
131.04913	1.7
133.06497	0.4
139.03918	0.9
147.04425	1.7
149.05998	0.8
150.90762	0.5
151.03902	1.1
159.04440	0.7
161.06026	0.9
163.03943	2.3
173.06050	1.5
175.03920	1.8
177.05487	1.2
181.05019	1.3
185.06026	1.2
187.03860	2.4
189.05542	1.3
191.03386	0.7
193.05020	2.6
201.05531	1.6
203.07014	0.6
205.04955	4.6
213.05476	1.5
217.05009	5.1
219.06354	2.3
221.04486	1.3
223.06017	1.2
225.05528	0.8
227.07025	0.7
229.05060	1.3
231.06535	2.0
235.06041	3.6
241.04973	1.5
243.06607	1.0
247.06023	5.2
253.04967	0.7
255.06757	0.9
259.06006	7.4
266.47287	0.5
267.06757	0.7
271.05981	3.3
273.07513	0.8
277.07220	1.8
283.06107	2.2
285.07645	1.5
287.09158	1.3
289.07059	3.2
295.06131	0.5
297.07584	0.5
299.05957	0.7
299.09277	1.7
301.06967	3.0
311.09232	1.3
313.07071	3.0
317.10327	0.6
323.09122	0.5
325.07147	2.1
327.08664	0.7
329.10184	4.3
335.09308	0.7
341.10156	3.5
343.08301	0.7
353.10144	5.7
359.11374	0.6
365.10324	3.8
377.10327	1.8
383.11255	7.9
389.10162	1.0
395.11359	7.1
407.11319	7.2
413.12317	2.0
419.11090	5.6
425.12430	3.8
431.13446	10.2
443.13516	3.9
449.12329	6.4
461.13544	4.9
467.13412	3.8
473.12604	0.5
479.13223	3.9
485.14618	3.5
491.13297	2.0
497.14349	5.2
509.14682	2.8
527.15448	2.9
530.40967	0.5
545.16528	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	600.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.4
61.02951	0.4
67.01855	1.2
68.99788	1.7
69.03425	1.8
70.02963	0.7
74.00658	0.8
81.03432	0.5
85.02904	2.3
88.03994	10.0
95.04970	0.8
96.04513	0.4
97.02885	1.3
107.04932	0.7
109.02872	2.3
111.00795	1.1
113.02377	3.4
120.01151	0.8
121.01095	0.5
123.04432	6.0
125.05965	0.5
125.32919	0.4
127.03922	1.4
137.02238	0.5
137.05949	1.1
139.03929	2.6
148.02190	0.9
149.00568	8.3
149.02324	0.8
151.03853	0.5
153.01833	92.6
154.00957	0.4
155.01608	0.5
162.05521	0.5
162.06781	0.4
163.02159	0.5
163.03868	0.4
164.04755	1.0
165.00078	3.7
166.00914	0.6
166.04916	0.6
166.06241	0.5
167.00357	0.5
167.01607	1.6
167.03461	0.6
169.03195	25.9
176.01668	9.6
176.07063	1.2
178.03438	0.5
180.02361	2.3
181.03197	2.6
184.99123	0.4
190.03256	0.5
193.01791	3.0
193.03275	1.0
194.02815	0.8
194.04486	7.1
195.01163	1.0
195.02972	0.9
195.04762	0.5
197.02684	1.5
205.03148	0.5
207.01070	1.8
208.04276	22.3
209.02730	0.4
220.04243	0.4
222.05830	1.7
232.01950	0.5
233.02785	2.6
239.02438	1.3
240.05028	3.3
243.01230	1.0
247.04276	0.9
249.11267	1.3
254.04828	100.0
259.00623	0.6
259.06073	0.6
260.01355	3.4
261.02194	0.6
268.06351	1.9
268.58762	0.4
269.04874	2.0
271.00613	4.2
273.23969	0.4
275.03754	6.6
286.07443	9.9
287.00092	1.4
288.00940	2.2
293.04764	5.0
299.00092	9.0
301.06937	2.3
303.03226	0.8
316.00369	18.2
321.04315	6.2
329.04709	1.0
331.02722	16.2
333.04309	11.8
341.03751	0.5
349.03748	6.9
356.05908	1.5
375.05392	0.7
392.07867	0.9
402.06396	0.6
403.05002	0.7
420.07504	13.2
421.05933	5.3
429.85251	0.5
438.08554	37.1
516.09625	0.7
578.09375	0.4
600.13782	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
55.05512	5.0
57.03432	0.6
57.07058	1.0
62.06078	0.7
65.03909	1.0
67.05513	6.3
68.05020	1.0
69.03410	1.7
69.06745	0.7
69.07078	9.7
69.94535	2.7
70.06570	2.1
70.31165	0.5
72.08141	1.1
79.05509	3.9
81.03408	0.7
81.05823	0.7
81.07065	6.5
82.06596	1.3
83.04507	0.5
83.04990	8.2
83.08633	4.3
84.04498	0.6
84.08119	2.0
85.02901	0.9
85.06551	1.3
86.05608	0.9
86.06080	13.8
86.09689	0.8
91.05460	1.4
93.03381	1.5
93.07045	5.5
95.04984	4.6
95.08602	4.0
96.08142	10.3
97.02872	0.7
97.06519	1.7
97.10158	0.7
97.49036	0.5
98.06056	4.8
98.09666	2.5
99.04435	2.4
105.07017	1.4
107.08598	4.8
108.08151	3.1
109.06512	1.4
109.10122	2.3
110.09687	3.7
111.04453	5.7
111.08057	0.6
112.07622	0.8
114.09133	1.1
116.10735	6.3
120.08117	0.7
121.02850	0.7
121.08863	1.1
121.10134	2.4
122.09660	1.1
123.08083	0.8
124.07594	3.8
124.11246	3.2
125.09660	0.6
133.10098	0.8
134.09637	0.9
136.11234	1.0
138.09177	1.1
139.03883	2.4
140.10732	0.9
142.07584	1.0
142.08650	16.8
145.10176	0.6
149.13258	3.1
151.11185	3.7
151.64128	0.6
152.10721	0.9
154.12300	3.1
159.11702	1.4
166.15926	10.2
167.12967	0.9
167.14326	0.8
169.12257	2.4
176.10777	0.6
176.14386	1.1
191.75883	0.6
194.15402	3.9
210.18558	4.2
212.16479	100.0
231.15910	0.8
237.72243	0.6
238.18037	61.6
256.19104	27.2
257.17438	4.4
280.12570	0.6
310.23849	1.2
324.87271	0.6
345.24377	1.0
384.23749	1.2
386.25473	0.6
388.28793	0.9
394.22345	0.8
406.29416	3.8
412.23352	20.8
424.30515	2.8
430.24405	57.5
519.29956	1.1
537.30530	1.9
552.35547	1.5
562.34033	1.2
580.35016	8.4
598.35956	76.2
599.36383	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06913	0.3
55.05509	0.9
57.07053	0.3
57.14237	0.3
62.75354	0.2
64.02665	0.3
67.05500	0.8
69.07057	1.0
70.06590	0.7
70.07681	1.0
79.05508	0.5
81.07053	1.3
83.05001	0.6
83.08628	1.3
86.06071	100.0
88.26456	0.2
93.07050	1.0
95.04976	0.8
95.08624	0.5
96.08150	0.4
97.06560	0.4
97.10160	0.4
98.06049	0.5
98.09715	0.3
105.07072	0.3
107.08612	0.8
110.09675	0.3
111.04455	0.9
121.10141	0.4
133.10243	0.3
142.08626	0.7
149.13268	1.8
159.11713	0.4
166.15887	0.4
167.14351	0.9
177.12776	0.4
212.16464	4.3
231.15889	1.8
238.18030	4.4
256.19107	2.4
369.19064	5.1
412.23254	1.6
430.24390	5.9
472.25385	2.9
571.69696	0.3
580.34546	0.5
598.35925	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	598.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88702	0.6
55.01867	1.2
55.05510	6.2
57.07055	1.0
62.06051	0.6
65.03915	1.0
67.05192	0.5
67.05505	6.0
69.03400	1.5
69.07073	8.8
70.02917	0.5
70.06565	2.3
71.04991	0.8
71.08617	0.7
71.53583	0.7
71.53976	0.7
72.08131	0.7
75.05666	0.5
79.05495	3.6
81.03413	0.8
81.05784	0.9
81.06663	0.5
81.07056	6.5
82.06548	1.7
83.04993	7.5
83.08631	4.7
84.08119	2.1
85.02894	1.0
85.06528	1.5
86.05595	0.8
86.06071	13.3
91.05473	1.6
93.03379	1.9
93.07052	5.4
95.04977	3.5
95.08617	3.4
96.07574	0.8
96.08138	9.4
97.06531	1.2
98.06033	3.8
98.09673	3.1
99.04444	2.3
105.07040	1.1
107.08617	4.3
108.08085	2.5
109.06526	1.5
109.10149	1.3
110.09697	3.5
111.04459	4.6
111.08057	1.1
112.07621	1.3
114.09138	1.2
116.10735	7.5
117.07005	0.7
121.10127	1.8
122.09638	2.1
123.08084	0.6
123.11681	1.3
124.07568	3.8
124.11224	2.5
126.09106	0.7
129.05472	0.7
133.10143	0.8
134.09624	0.9
136.11220	1.7
138.09163	0.9
139.03885	1.4
140.10701	0.8
142.07593	1.0
142.08649	15.2
149.13242	2.8
151.11198	3.3
152.10681	1.5
154.12274	2.8
159.11642	0.7
166.15948	8.7
167.14301	1.1
169.12225	2.7
176.14369	0.9
194.15445	3.8
210.18565	3.3
212.16464	100.0
238.18027	58.7
256.19098	25.1
257.17529	3.9
310.23697	1.3
345.24173	0.8
348.06604	0.6
364.24545	0.6
384.23953	1.5
394.22461	0.8
406.29514	3.0
412.23322	22.2
424.30450	2.6
430.24384	62.9
484.29605	0.8
537.30670	2.3
552.35327	1.0
562.34326	1.0
580.34821	9.7
598.35913	81.6
599.35883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1817
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.01857	4.9
57.03444	4.0
65.03932	4.0
69.03403	2.9
70.89782	5.6
70.90127	5.0
76.61047	2.9
81.03419	7.0
83.04986	3.7
85.02901	19.0
91.05487	5.1
93.03412	14.0
95.04937	5.8
97.02900	11.5
103.03941	8.2
105.03423	3.6
107.04970	21.4
109.02859	18.9
119.04950	9.9
121.02876	29.4
121.06487	8.5
123.04446	9.0
131.04929	7.0
133.02843	3.6
133.06491	7.1
135.04442	17.1
137.65445	2.8
139.03954	10.4
145.02795	4.4
147.04425	28.2
149.02353	8.7
149.26524	2.8
151.03917	8.4
153.01831	7.4
159.04410	10.4
161.02374	4.0
161.05957	4.2
163.03963	11.5
165.01859	13.0
173.02376	8.2
173.05994	11.7
175.00314	4.0
175.03941	7.1
177.01866	29.6
177.05508	11.2
187.03906	7.9
189.01799	27.2
189.05399	4.3
191.03404	17.4
195.02904	31.2
199.03915	5.0
201.01978	6.0
201.05473	7.9
203.03448	13.0
205.01367	15.0
205.05037	8.6
207.02917	53.2
215.03510	16.7
217.01337	3.7
219.02890	100.0
221.00836	3.2
223.02377	11.0
225.03967	9.9
227.03384	6.3
229.04985	16.6
231.02895	64.5
231.06418	3.9
233.04483	22.0
237.03937	21.4
241.04858	3.5
243.02852	33.6
243.06625	7.6
245.04486	9.0
249.03943	14.9
255.02895	9.6
255.06595	3.5
257.01376	2.8
257.04385	20.5
259.02200	6.0
261.03955	99.4
269.04364	8.2
271.02344	4.6
271.06033	8.1
273.03906	49.0
281.04425	7.1
285.03922	44.1
291.04993	25.7
294.74872	3.7
297.03925	18.3
297.07504	15.0
299.05457	10.4
303.04984	33.8
309.03897	12.7
309.07434	8.5
311.82092	3.6
315.04868	11.9
321.06158	19.8
325.07095	6.5
327.04993	48.8
327.08621	28.0
339.08069	44.7
345.06046	11.1
351.08676	19.1
357.05972	8.9
357.09781	6.4
363.06998	29.5
369.05838	7.7
375.07147	5.3
381.09698	39.9
387.07224	6.0
393.09491	32.4
405.08496	37.3
409.09000	4.6
411.10739	13.9
417.09753	10.5
423.10260	28.7
427.10233	5.2
429.11795	37.1
441.10925	43.1
447.10706	29.3
459.12796	40.7
465.11795	12.0
477.12256	8.5
483.12759	22.0
489.11450	3.6
495.12851	19.7
507.12433	5.9
525.13843	20.3
543.14923	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	596.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.05515	17.3
57.03426	7.8
57.07096	2.3
65.03915	2.7
67.05509	74.8
69.07080	12.3
71.05003	18.1
71.54204	3.3
71.54895	2.2
74.39299	1.9
79.05499	32.5
81.07063	100.0
81.77856	1.9
83.04987	3.9
83.08604	7.5
85.06546	6.6
91.05480	30.2
93.07047	40.4
94.77252	1.9
95.04951	2.3
95.08601	26.7
97.06526	3.9
97.10150	2.2
105.07027	21.2
107.08593	21.8
109.10164	10.8
117.07063	5.2
119.08577	7.8
121.10151	13.1
123.11710	13.2
131.08577	8.9
133.10147	15.1
135.11707	8.8
145.10118	7.7
146.74530	2.2
147.11679	4.2
149.13260	3.8
151.11215	4.9
159.11714	6.3
173.13264	4.3
187.13284	3.5
187.14766	2.3
198.63361	2.2
257.17599	3.0
269.17377	3.0
301.20178	14.5
335.25778	33.5
396.40533	2.2
503.37311	96.9
517.38873	3.7
529.38837	5.2
561.41559	53.4
561.50116	2.5
596.29004	2.6
596.47589	5.9
596.60022	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	597.1454
Annotation	Peltatoside
Peak:m/z	Relative Intensity
55.01868	0.5
57.03446	1.0
61.02937	1.4
62.53299	0.2
65.03925	0.2
67.05486	0.2
68.99785	0.5
69.03144	0.2
69.03435	1.8
69.46054	1.4
71.01336	0.4
73.02921	6.0
81.03388	0.3
81.07043	0.2
83.82443	0.2
85.02427	0.3
85.02907	3.6
87.04487	0.4
91.03967	0.4
91.05518	0.2
93.03417	0.2
93.07066	0.2
95.04985	0.3
97.02894	2.0
97.10272	0.2
100.59262	0.2
101.26428	0.2
104.33023	0.2
105.03413	0.2
107.08576	0.2
109.02869	0.7
109.81770	0.1
111.00781	0.6
115.03941	1.4
119.04900	0.2
119.08534	0.2
121.02859	1.1
121.10120	0.2
123.04421	0.5
127.03928	1.0
133.04999	0.8
135.04411	0.2
137.01375	0.3
137.02353	3.0
137.05956	0.2
139.03934	0.6
145.04971	1.0
149.02342	0.5
151.64888	0.2
153.01828	3.0
161.06013	0.2
163.03944	0.9
163.05980	0.3
165.01859	2.2
177.01833	0.2
177.05560	0.2
183.02962	0.9
187.03905	0.2
191.03438	0.3
191.14348	0.6
195.02863	0.2
201.05440	1.1
215.03392	0.2
219.03018	0.3
219.06670	0.3
229.05014	3.9
247.06116	0.6
257.04489	2.7
265.09863	0.2
273.07565	0.4
274.04861	0.9
285.03961	1.6
303.05005	100.0
304.05344	0.8
315.05164	0.2
321.08304	0.2
339.09735	0.4
345.06116	0.4
389.13800	0.2
435.09277	1.3
465.10349	16.0
547.15729	0.5
552.53125	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	596.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	11.2
56.05037	1.3
63.89633	1.2
65.03934	2.0
67.38313	1.1
68.99800	1.8
69.20806	10.4
70.02953	3.6
74.00675	2.5
76.03996	2.8
83.06113	11.9
84.04507	25.6
85.04041	1.2
85.79370	1.0
86.75488	1.0
91.05489	2.5
93.03418	1.1
97.02908	1.1
98.07234	1.1
99.05584	3.8
107.04957	1.4
107.06084	1.3
109.07633	3.1
110.06036	1.7
111.04427	3.0
112.03963	10.2
116.01687	2.9
119.04971	3.4
121.01079	2.3
121.02888	1.6
123.02643	1.0
123.04472	2.4
127.03920	2.0
129.06621	20.7
130.04054	2.4
130.05009	37.5
131.04672	1.3
135.02643	3.3
135.04430	1.3
136.02161	1.9
137.00587	1.9
139.03909	76.6
140.99983	1.6
145.06093	16.5
147.04427	5.8
148.05211	11.6
149.00562	10.6
149.04749	1.6
151.02122	2.1
151.03880	1.8
153.00101	1.5
153.03694	5.2
153.06575	5.4
155.01614	28.3
155.08134	6.0
162.02271	1.6
162.03749	4.1
162.05486	7.7
163.02168	11.4
163.03922	27.7
164.01630	2.5
165.00056	5.9
167.01624	6.4
167.03287	1.0
168.05434	1.1
175.06281	6.2
179.01611	17.1
181.03191	23.8
181.04712	1.7
181.06059	2.8
182.02684	4.8
182.95612	1.1
183.01163	5.3
184.04300	3.9
190.03275	5.3
191.01605	3.1
195.01126	2.8
196.04297	6.3
197.27516	1.1
199.07121	5.6
207.01140	3.1
208.04282	34.2
209.02663	8.6
219.01144	3.3
226.05356	4.6
229.03046	2.2
233.02724	1.5
236.03900	1.7
239.01932	1.2
257.02643	8.8
265.06503	1.3
270.05142	8.8
274.10385	1.4
282.04315	4.5
285.02173	7.1
287.07007	6.5
288.00858	1.6
294.05069	1.1
295.05948	1.5
296.06592	2.9
299.06979	29.9
303.03217	90.7
311.06967	100.0
312.05383	4.4
329.04709	5.2
329.08069	29.8
337.08435	1.3
346.07352	3.3
353.08170	2.2
365.08008	2.5
383.09076	20.5
410.09357	1.4
440.10901	3.3
441.10089	1.7
449.10165	33.0
458.12305	51.9
467.11496	2.9
503.11169	16.7
521.12305	19.9
578.14429	3.5
596.15161	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	595.1659
Annotation	Isorhamnetin 3-alpha-L-arabinopyranosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
53.03943	0.4
55.01865	0.5
56.20850	0.3
57.03437	3.2
61.02924	0.8
69.03439	5.5
69.10049	0.3
71.01348	1.1
71.04996	18.1
71.53973	0.6
73.02919	5.4
75.04469	1.0
81.03399	0.4
83.04990	2.6
85.02908	28.4
86.95523	0.3
87.04459	0.8
92.02599	0.5
95.04974	0.7
95.61554	0.3
97.02895	5.2
99.04457	1.8
109.02846	0.5
111.04440	1.7
115.03923	3.6
117.05531	0.8
121.02840	1.0
123.04455	0.9
125.08076	0.3
127.03949	0.7
129.05484	8.2
137.06041	0.4
139.03929	1.8
145.04996	0.4
147.06523	2.8
151.03899	1.4
153.01834	5.2
165.01962	0.5
169.04991	0.4
171.06505	0.6
181.04800	0.4
217.04865	0.5
225.07681	1.9
228.04147	0.6
229.04961	2.1
237.14291	0.5
240.50975	0.4
243.08810	0.4
245.04396	0.7
246.05252	1.2
257.04453	1.9
260.03033	0.4
273.03934	1.3
274.04715	2.8
285.03958	3.0
287.05573	0.5
295.06036	0.6
302.04224	10.2
303.04980	3.4
305.05685	0.4
317.06567	100.0
318.06958	0.6
324.71323	0.4
329.06506	1.8
359.07651	1.6
367.08276	0.4
383.07660	1.3
395.07770	0.6
413.08774	2.0
431.09689	0.8
449.10886	4.1
457.12411	0.4
541.13977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01628	1.5
55.01874	22.1
58.99590	1.0
65.03956	1.4
68.99786	3.0
69.80102	5.2
74.00675	1.6
76.02203	1.7
76.03991	2.6
81.03408	1.9
83.04953	1.1
83.06103	10.0
84.04509	36.8
91.05489	1.5
93.03420	2.0
97.02879	1.1
99.02680	3.7
99.05569	1.3
107.04924	1.0
111.04449	4.9
112.03973	22.8
119.04914	2.2
121.02881	3.8
123.04407	6.0
124.04776	1.4
127.02152	18.4
127.03949	5.4
129.06609	17.8
130.05008	83.9
135.02661	9.0
135.04382	1.2
139.03909	100.0
139.39545	0.9
140.04248	9.8
141.00066	1.0
145.06187	1.0
147.02658	1.0
147.04428	4.7
147.07651	1.6
149.00549	1.9
151.02087	1.5
151.03943	4.7
152.04205	1.3
153.00070	1.5
153.03647	1.1
153.05498	1.3
153.06598	2.0
155.00455	1.7
155.01627	30.6
163.02150	13.3
163.03902	43.7
164.04245	9.5
165.00090	1.4
165.05487	2.6
167.01611	1.5
175.02155	2.3
177.03276	1.5
178.03114	1.3
179.00043	1.4
179.01653	23.5
179.03305	2.4
179.04825	1.2
181.03229	4.7
181.04680	1.5
181.06212	1.9
183.01128	47.9
189.00076	3.0
191.01657	13.1
192.03651	0.9
193.03229	1.7
195.01140	3.0
196.04295	3.0
199.07111	2.1
203.01620	6.7
203.03329	1.8
206.86057	1.0
207.01309	1.9
208.04292	4.1
209.02693	16.7
209.45334	0.9
213.05542	2.3
219.01083	2.1
221.02710	2.1
226.05415	6.8
233.02631	1.2
237.02196	3.0
241.04976	1.4
242.05475	4.5
245.04445	1.7
246.04929	2.0
257.19690	1.0
258.04999	1.4
259.06024	2.0
260.06448	2.3
266.05008	1.5
269.04715	1.0
270.05243	4.6
271.06097	1.8
272.06427	2.1
275.03470	2.2
281.05853	3.3
282.04315	16.3
287.05499	2.7
288.05832	2.0
292.09134	1.2
294.04697	1.7
295.05884	2.6
296.06335	2.4
298.68042	0.9
300.05966	1.5
303.00049	1.8
303.03198	21.4
308.06143	1.6
312.05392	14.9
320.05637	1.4
325.06992	2.5
326.07385	3.4
329.08041	99.5
332.75937	1.1
338.07321	1.9
346.07352	2.4
347.05978	2.7
350.07233	1.9
364.08521	1.0
365.07706	1.9
380.08429	1.8
383.09122	12.9
391.07910	1.2
392.08405	2.2
395.09100	1.3
409.09180	1.0
410.09604	5.5
422.09460	1.9
428.10657	1.2
432.07349	3.5
440.11209	4.7
441.09579	1.2
449.10263	8.0
452.10883	1.1
458.12292	72.4
467.11295	2.5
500.12793	2.1
503.10971	3.8
512.12006	1.2
521.12274	14.5
524.12689	1.9
560.14435	2.2
578.14380	2.1
596.15417	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	595.1667
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
53.03931	0.2
55.01881	0.3
57.03445	1.8
61.02930	1.9
62.86160	0.2
68.99796	0.3
69.03439	0.4
71.05003	11.7
71.53833	0.2
73.02932	1.0
75.04479	0.6
75.49474	0.2
76.28151	0.2
76.64659	0.2
77.07245	0.2
81.03423	0.3
82.96615	0.2
83.04990	0.7
85.02916	14.9
87.04459	0.5
91.03972	1.0
97.02890	1.3
98.97591	0.4
99.04425	0.2
104.86391	0.2
107.04934	0.3
109.02889	0.6
111.00803	0.5
111.04485	0.3
111.75801	0.2
119.04976	0.3
121.02890	3.6
127.03932	0.7
129.05502	3.4
133.02843	0.2
137.02342	0.8
139.03900	0.6
145.04942	0.4
147.04427	0.6
147.06519	1.1
151.03909	0.3
153.01855	3.1
157.06500	0.3
161.06009	0.3
163.03961	0.2
165.01862	1.6
171.04419	0.3
179.03438	0.3
183.02905	0.6
185.06023	0.5
191.03334	0.3
195.02922	0.3
197.06000	0.3
201.05544	0.3
203.03421	0.8
213.05444	1.2
229.04982	0.3
231.02950	0.2
231.06555	0.5
241.05057	0.7
241.23175	0.2
258.05209	1.0
259.06009	0.4
271.06000	0.9
283.06039	0.5
284.06656	0.2
284.71460	0.2
287.05533	100.0
288.05948	0.8
294.05167	0.6
295.06027	3.3
297.07742	0.2
299.05487	0.6
303.05051	2.4
307.05936	1.8
308.06744	0.4
309.07547	0.5
311.05569	0.3
313.06940	0.3
321.07687	1.1
323.05402	0.4
325.07083	3.2
329.06476	0.4
333.07736	0.2
335.09241	0.8
337.06995	1.6
341.06696	0.3
347.09229	0.4
349.07156	1.0
351.08746	0.7
353.06442	1.1
355.07855	0.3
361.07013	0.6
363.08496	0.4
365.10220	0.4
367.08023	0.4
379.08008	1.2
385.07224	0.3
391.08231	1.0
393.09750	0.3
403.08081	0.5
409.09387	1.2
421.09320	1.1
427.10367	0.8
431.09686	0.2
439.10394	2.0
445.09433	0.3
449.11038	1.5
457.11557	1.3
463.10123	0.3
475.12119	0.5
481.11356	0.6
499.12329	0.5
505.10944	0.4
511.12189	0.3
523.12238	1.2
541.13391	1.6
559.14453	2.2
577.15259	0.6
579.17542	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1665
Annotation	Datiscin
Peak:m/z	Relative Intensity
57.03445	1.7
60.54315	0.2
61.02930	1.8
68.91742	0.2
68.99796	0.3
69.03423	0.4
70.51212	0.6
71.05001	9.2
73.02910	0.8
73.10522	0.2
75.04476	0.6
81.03396	0.2
83.04979	0.5
85.02914	12.2
85.24171	0.2
87.04482	0.4
91.03954	0.8
91.39811	0.2
97.02897	0.9
97.32606	0.2
98.21377	0.2
107.04951	0.5
109.02891	0.2
111.00815	0.5
111.04439	0.6
121.02882	2.3
127.03915	0.8
129.05498	3.3
133.02815	0.3
135.04449	0.3
137.02339	0.6
145.04971	0.4
145.06509	0.2
147.04431	0.3
147.06572	0.9
153.01849	3.0
165.01836	1.4
177.17476	0.2
183.02905	0.7
185.06165	0.3
189.01891	0.2
197.06000	0.2
213.05472	1.0
231.06577	0.4
235.44753	0.2
241.04991	0.6
258.05377	0.6
259.06076	0.4
283.05920	0.3
287.05527	100.0
288.05817	0.7
295.06009	1.2
299.05518	0.5
307.06012	0.7
309.07584	0.3
311.05524	0.2
313.07224	0.3
321.07462	0.4
323.09515	0.2
325.06952	1.1
326.11386	0.2
329.06616	0.3
337.07098	0.6
349.07224	0.4
351.08591	0.3
353.06668	0.3
379.08231	0.3
379.45126	0.2
391.08148	0.5
409.09177	0.6
413.08865	0.2
421.09232	0.4
427.10309	0.3
439.10278	1.0
449.10941	0.8
452.03336	0.2
457.11206	0.4
481.11353	0.3
493.11255	0.4
523.12231	0.5
541.13037	0.9
559.14386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.7
67.95633	1.6
69.69325	7.3
69.69746	3.3
74.01788	1.4
79.60964	1.6
85.02918	5.8
87.44546	1.7
98.20700	1.8
103.03963	2.4
107.04961	3.3
109.02893	2.8
119.04963	8.9
121.02010	2.7
121.02878	45.7
127.03923	4.5
139.03963	4.0
139.58116	1.5
145.02831	4.2
159.04417	1.9
163.03951	4.7
171.04369	1.8
176.01071	2.3
177.01900	4.5
177.05516	1.8
179.03473	4.0
180.86760	1.6
187.03912	5.4
189.01816	12.4
191.03429	5.3
195.02911	6.4
201.01913	2.3
201.05528	1.7
203.03453	9.1
205.05061	2.8
207.02872	8.3
211.03917	2.3
213.01651	1.8
215.03482	3.6
217.04980	6.8
219.02933	7.3
227.03406	2.9
229.04970	4.9
231.03021	3.0
233.04459	3.8
239.03313	1.8
239.06926	2.8
241.04918	2.7
243.02905	3.8
243.06580	3.2
255.02957	3.5
257.04504	2.8
261.04016	2.9
267.02850	2.2
267.06430	2.5
268.07355	4.3
279.06573	5.9
281.08011	5.4
283.06091	7.7
285.03851	3.4
287.05493	2.3
293.08014	4.1
294.05215	25.3
295.06027	98.0
296.06750	8.3
297.07526	9.0
305.08109	1.7
307.06033	53.8
307.09567	2.7
308.06830	16.5
309.04346	2.8
309.07578	13.8
313.07092	4.9
319.06015	6.6
320.06812	4.9
321.07648	27.4
322.04901	3.1
322.08392	10.8
323.05609	3.8
323.09171	5.1
325.07092	100.0
326.07648	2.2
329.08102	2.1
333.07693	9.9
335.05521	2.2
335.09106	15.8
336.06320	2.7
336.10089	1.9
337.07108	58.5
337.10977	2.7
345.07797	3.1
347.09058	12.9
349.07071	31.6
350.07700	2.0
351.04727	2.1
351.08615	23.1
355.08121	24.0
361.07077	17.7
361.10825	2.4
363.08496	6.4
365.10281	12.3
367.08148	5.9
373.07111	6.5
375.08664	12.4
379.08142	58.8
382.44104	1.5
385.07104	3.8
387.08728	3.0
389.10162	2.8
391.08212	31.7
393.09818	2.1
401.10162	2.5
403.08163	25.6
409.09207	45.6
415.09317	2.7
417.09607	2.4
421.09262	26.1
427.10309	40.8
429.09409	2.2
433.09265	2.8
439.10266	31.2
441.10480	2.4
445.11340	7.6
457.11368	99.5
463.10223	5.8
475.12485	23.8
481.11386	29.5
489.45029	1.7
493.10889	2.8
499.12451	23.7
505.11478	8.5
511.12427	27.0
523.12433	30.5
529.13416	12.3
541.13470	34.8
559.14532	29.7
577.15424	18.0
595.15973	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	595.1658
Annotation	Vicenin 2
Peak:m/z	Relative Intensity
56.92643	1.4
57.03423	2.4
58.98085	1.4
61.02900	1.8
61.30537	1.6
65.03919	2.4
69.76745	7.8
75.61574	1.4
81.03390	1.3
85.02910	7.0
91.65176	1.4
98.21458	2.1
103.03972	1.4
109.02877	3.1
112.82781	1.2
119.04953	8.0
121.02862	31.1
122.37284	1.3
145.02824	4.9
147.04350	1.5
151.03821	1.5
159.04413	2.1
161.02351	2.0
163.03856	2.9
165.01801	2.0
175.71800	1.5
176.00999	1.6
177.01888	3.6
177.05440	1.6
179.03349	2.1
187.03871	2.7
189.01843	11.7
191.03429	4.9
195.02873	4.1
199.03981	2.4
201.01895	1.4
201.05524	2.5
203.03362	14.2
205.05020	2.9
207.02887	6.9
209.04446	1.5
211.03864	2.5
215.03362	2.5
217.04958	5.1
219.02892	4.9
229.04971	4.2
231.02782	1.7
233.04504	1.9
239.03503	2.0
239.07013	1.6
241.05104	1.8
243.03006	1.7
243.18355	1.4
251.06993	1.6
255.02946	2.9
257.04343	1.9
261.38864	1.5
267.06506	2.7
268.07278	6.0
269.08163	1.5
273.03967	1.8
279.06601	3.9
280.07324	1.5
281.05042	1.4
281.08054	6.6
283.05942	7.4
284.06836	3.0
285.04053	3.5
287.51453	1.5
291.06818	2.1
293.08008	3.8
294.05203	23.4
295.06003	93.6
296.06683	8.2
297.07602	10.5
298.08524	2.3
305.08038	1.5
307.05991	52.4
307.09195	1.9
308.06790	18.1
309.04160	2.6
309.07498	14.3
313.07031	6.5
317.08362	2.5
318.09052	1.6
319.05902	7.0
320.06863	2.6
321.07590	28.6
322.04874	2.1
322.08234	13.6
323.05450	4.0
323.09146	4.4
325.07050	99.9
331.06387	1.7
333.07501	8.2
335.05347	2.4
335.09073	18.7
336.06287	3.5
336.09927	2.4
337.07068	59.3
337.11115	3.4
338.46576	1.6
339.08548	2.3
345.07501	3.4
346.08475	2.4
347.09238	13.2
349.07071	37.7
351.08621	21.6
355.08069	19.8
357.07227	2.0
360.06390	1.9
361.06992	18.0
361.10825	2.0
363.08536	6.1
365.10172	12.6
367.08014	4.3
373.07004	4.7
375.08612	11.7
377.06406	2.4
377.10513	1.9
379.08102	53.0
385.07010	3.8
387.08600	2.4
389.10309	3.4
391.08145	29.5
393.09561	2.4
401.10101	2.1
403.08099	24.8
409.09201	43.4
415.08524	4.4
417.09518	3.0
421.09177	23.5
427.10284	41.6
433.09268	3.4
439.10263	31.0
445.10236	6.1
457.11301	100.0
458.11954	1.8
463.10168	4.5
472.80890	1.6
475.12375	23.4
481.11279	26.6
487.10107	3.2
493.10974	2.4
499.12347	20.3
505.11182	5.7
511.12329	26.9
523.12378	27.0
529.13403	13.0
541.13452	30.0
559.14417	30.1
567.92242	1.5
577.15558	15.3
595.16406	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	595.1447
Annotation	CHEBI:75670
Peak:m/z	Relative Intensity
53.03935	0.7
53.42673	0.6
55.01860	1.3
65.03928	1.1
68.99788	6.0
71.45300	1.0
79.52065	0.7
81.03407	3.3
85.02926	0.7
93.03396	1.0
95.04967	1.3
98.21579	0.8
99.04463	1.3
101.38891	0.6
103.05473	0.7
103.14605	0.6
105.03413	0.8
107.04937	3.3
109.02865	3.4
111.00799	3.6
111.04469	3.4
119.04935	1.2
121.02877	2.2
123.04436	26.7
127.03922	100.0
131.04921	1.8
133.02829	1.2
135.04417	25.4
137.02335	2.0
137.05963	0.9
139.03906	73.5
140.83734	0.6
141.06973	1.2
143.04948	1.1
145.06483	0.8
147.04405	4.1
149.02330	3.5
149.06001	1.4
151.03909	16.8
153.05511	1.1
157.06511	0.8
159.04402	3.3
161.05978	2.3
163.03909	35.3
165.05464	3.0
167.03412	6.4
169.05011	1.5
169.06406	1.3
171.04497	1.0
173.06003	3.6
175.03906	7.0
177.05487	4.5
179.03395	11.8
181.04999	2.6
183.04437	1.0
185.05879	1.7
187.03900	5.5
187.07547	0.8
189.05513	2.9
191.03394	11.9
193.04944	3.9
197.06006	3.6
199.03958	1.4
201.05479	6.7
203.03442	10.6
203.06999	1.4
205.04982	3.0
211.03944	1.2
213.05519	3.1
215.03426	1.4
215.07086	2.2
217.05098	2.0
225.05486	1.7
228.62038	0.8
229.04964	9.1
231.06665	1.3
233.04436	7.0
241.04935	2.2
243.06554	3.9
245.04436	6.7
247.06041	28.7
247.88271	0.7
251.05574	0.9
253.04913	1.0
255.06567	1.2
257.04453	12.2
259.06012	5.2
263.05484	4.4
269.04562	2.2
271.06039	15.6
274.65393	0.7
274.68158	0.8
275.05478	18.5
283.06006	7.2
287.05496	26.3
289.07071	12.7
291.08649	4.6
295.06024	0.8
297.07553	0.7
299.05533	7.9
301.07031	10.0
305.06601	3.5
307.08240	7.0
311.05600	1.1
317.06448	6.2
319.08365	1.2
325.06973	0.8
409.09219	17.6
425.08673	8.4
427.10388	6.3
436.29303	0.7
443.09814	5.3
451.10529	1.0
457.10742	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.4
55.01872	17.8
55.05513	44.8
57.03436	17.8
59.05007	2.7
65.03941	6.1
67.05507	63.8
69.03430	11.2
69.07069	25.2
71.04993	7.7
71.53712	4.7
71.58981	2.8
79.05499	71.2
81.03421	74.5
81.07060	100.0
83.04980	31.8
83.08625	37.1
84.06895	2.6
85.02912	26.4
85.06535	8.7
91.05476	62.4
93.07041	56.1
95.04968	42.4
95.08620	29.5
97.02888	7.5
97.06531	17.2
97.10175	30.8
99.08089	4.1
105.07044	44.0
107.04952	15.9
107.08598	31.8
109.06527	25.5
109.10163	16.2
109.74058	2.5
111.04453	20.4
111.08089	17.8
113.06009	6.0
115.05464	5.3
117.07030	14.7
119.08583	46.4
121.06522	11.7
121.10139	26.8
123.08089	33.4
125.06024	3.5
125.09628	24.5
127.03910	4.4
127.07535	3.2
128.06308	4.0
129.06978	15.8
131.08569	25.9
133.02980	2.8
133.06483	4.7
133.10139	22.4
135.08047	17.9
135.11697	12.6
137.09605	8.9
142.07809	3.0
143.08578	5.9
145.06487	14.3
145.10159	20.7
147.08051	17.8
147.11697	22.0
149.09616	10.3
153.09084	3.1
153.12782	6.0
157.10121	18.2
159.08034	4.2
159.11769	4.9
161.09602	11.4
163.11180	25.7
165.07039	3.0
165.09143	6.8
165.12700	5.1
171.11742	3.0
173.09637	5.2
173.13246	4.2
175.11215	18.1
177.12639	3.4
181.12213	11.4
183.11691	3.2
185.13197	3.3
189.11232	31.0
189.12744	3.9
191.10712	7.4
193.12247	45.8
199.14778	2.8
206.66692	2.8
209.11653	4.4
211.13289	61.5
217.15921	2.8
223.13278	3.2
227.12784	27.4
249.14867	3.5
255.17322	3.7
263.19650	3.4
267.15894	21.3
273.18527	28.8
283.15414	6.2
285.17004	37.3
291.19577	82.0
297.07516	13.4
303.91080	2.8
315.19598	3.3
333.24283	12.8
347.22104	6.9
365.23169	30.7
380.48904	2.8
447.28891	4.9
459.27142	3.1
465.29514	4.1
483.31134	4.9
501.32166	5.5
539.33899	5.7
557.34790	20.4
575.35876	52.4
593.28326	3.6
593.36981	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50780	1.4
54.14710	1.3
55.01866	3.0
55.05518	15.3
57.03437	10.3
59.92768	1.3
60.42924	1.4
67.05507	20.2
69.03423	3.2
69.07052	5.9
70.19648	6.1
71.04980	4.7
76.92307	1.3
79.05498	22.9
81.03417	49.8
81.06661	1.7
81.07067	20.0
83.04969	5.2
83.08218	1.6
83.08627	16.3
84.87209	1.6
85.02888	2.0
85.06552	2.0
91.05486	18.7
93.07043	17.9
95.04968	21.0
95.08614	11.8
96.70067	1.5
97.02880	2.1
97.06523	4.6
97.10169	15.4
105.07037	14.5
107.04958	12.1
107.08592	12.4
109.06509	7.4
109.10152	8.0
111.04417	1.6
111.08073	4.2
117.06999	4.9
119.08589	10.8
121.06501	10.6
121.10170	8.6
123.04419	2.8
123.08067	4.0
125.09631	12.5
129.07025	10.3
131.08582	9.9
133.06512	3.7
133.10120	6.7
135.08034	4.8
135.11682	2.2
137.05975	2.0
137.09590	2.4
143.08556	4.6
145.06461	8.8
145.10138	5.0
147.04456	1.9
147.08052	6.2
147.11661	8.5
149.09607	5.4
153.09088	2.7
155.08572	2.1
157.06459	2.0
157.10138	8.8
159.08061	2.0
159.11653	2.2
161.05878	1.4
163.11191	4.4
171.08054	2.7
172.73341	1.4
175.11174	9.0
187.11136	2.6
187.14818	1.6
189.11159	6.3
189.12697	2.8
193.12257	14.3
195.11749	3.0
199.11223	2.3
211.13139	2.5
219.13831	3.4
227.12694	3.0
233.15349	4.0
241.14331	1.5
249.14951	1.5
267.15921	39.5
273.14682	4.4
273.17191	2.0
293.17697	1.7
298.07794	1.6
339.23071	2.3
349.21658	4.6
357.24103	3.3
367.22717	20.0
385.23709	26.4
403.24869	9.4
441.26303	9.4
459.27435	100.0
460.27768	2.2
477.28537	76.3
491.30176	14.7
509.31207	6.5
530.19196	1.7
541.33398	2.7
576.36066	2.5
594.34747	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
57.03425	1.0
61.02914	0.6
67.05500	0.8
67.55331	0.2
68.99780	0.5
69.03416	0.7
69.07055	0.6
71.04992	5.4
71.13039	0.4
71.13378	0.4
73.02917	7.5
73.24731	0.3
79.05486	0.6
79.71092	0.3
81.03420	0.4
81.07041	0.8
83.04977	0.8
83.08595	0.5
85.02435	0.5
85.02906	6.4
85.06503	0.3
87.04446	0.5
91.05476	0.5
92.76583	0.3
93.07040	0.5
95.08598	1.0
97.02874	0.6
99.04456	0.8
101.06025	0.6
105.07032	0.6
107.08569	0.5
109.02869	0.7
109.10148	0.5
111.00819	0.5
111.04412	0.9
121.02874	1.0
123.04424	0.5
125.06013	0.3
127.03918	1.4
129.05473	1.3
137.02359	1.7
139.03932	1.0
147.04401	0.8
147.11714	0.3
153.00865	0.3
153.01865	2.5
163.03894	0.6
163.11240	0.3
165.01775	1.3
183.02925	0.3
187.11044	0.4
201.05458	0.9
211.09689	0.6
215.10730	0.4
229.04915	2.9
233.11797	0.3
246.96629	0.3
247.06044	0.8
252.74744	0.3
257.04434	2.1
267.19586	0.4
285.03986	1.1
287.05402	0.5
302.04062	0.3
303.04987	100.0
304.05313	1.0
324.92923	0.3
417.11887	0.6
431.22702	0.9
447.09195	3.4
556.72943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2725
Annotation	Scortechinone F
Peak:m/z	Relative Intensity
53.03944	3.8
55.01867	3.2
55.05515	12.3
57.03440	9.0
59.05006	0.9
59.08741	0.9
65.03946	2.1
67.05508	28.4
69.03428	4.0
69.07066	7.5
69.53468	1.4
69.53872	5.1
71.05000	5.3
72.32004	0.8
72.84257	0.8
79.05497	33.2
81.03423	60.1
81.06589	1.9
81.07062	33.3
83.04986	13.6
83.08624	17.3
85.02911	25.7
85.06548	3.3
91.05485	44.3
93.07051	22.4
95.04977	26.6
95.08611	14.9
97.02866	4.8
97.06533	5.0
97.10164	3.2
98.20729	1.0
98.98461	6.7
99.08089	1.6
103.05441	1.0
105.07035	30.9
107.04973	9.4
107.08600	9.6
109.06532	5.7
109.10151	4.9
111.04453	2.6
111.08077	10.0
113.06005	2.3
115.05446	1.2
117.07039	2.3
119.04997	1.0
119.08585	19.5
121.06525	2.3
121.10142	8.7
123.04449	2.6
123.08070	3.7
123.11718	2.3
124.40665	1.0
125.09653	1.8
126.01158	0.9
127.03921	1.5
128.06250	1.6
129.07008	14.8
129.35548	0.9
131.08583	13.0
133.06523	4.2
133.10132	14.5
137.09644	2.7
139.03914	2.7
142.07831	4.3
144.03473	0.9
145.10085	2.4
147.08057	3.5
147.11696	16.7
148.21173	0.9
149.09625	5.7
151.11229	0.9
155.01025	3.3
157.10129	14.3
163.11217	1.5
165.12758	3.2
175.11247	12.5
193.10432	1.7
193.12251	49.7
211.13307	57.4
227.28349	0.9
249.14874	1.7
267.15936	16.8
285.07611	1.1
285.17050	9.3
347.12378	4.7
459.27429	8.7
477.28503	33.9
495.29550	100.0
496.30106	1.5
593.30841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2756
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
60.26692	0.3
64.96043	0.3
71.39901	0.4
86.90382	0.2
102.54636	0.3
126.83160	0.3
134.27792	0.3
141.30138	0.3
197.19283	0.3
227.79204	0.4
236.63794	0.3
320.30182	0.3
389.17496	0.6
401.17804	0.5
402.18463	0.4
403.19138	2.2
404.19974	1.2
405.20938	1.4
416.20212	0.6
417.16843	1.0
417.21658	1.9
418.21811	1.6
419.22382	2.9
430.17682	0.8
431.18170	6.4
432.18570	1.5
432.24255	0.5
433.24152	5.6
434.24600	1.0
445.19910	7.8
446.20758	4.0
447.21555	4.5
459.21503	3.0
460.22595	11.2
461.23221	8.7
473.23874	2.0
474.24649	0.6
476.25812	1.0
477.23022	1.1
487.25223	1.0
489.26672	0.5
491.24500	0.9
492.25363	1.6
505.22043	6.7
515.24335	0.5
519.24200	0.9
533.25519	30.6
534.26312	0.8
564.23901	1.2
565.28046	1.1
593.27600	100.0
594.27948	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73560	0.3
59.31764	0.3
60.01247	0.3
64.88644	0.3
70.77907	0.3
70.78230	0.7
99.01319	0.3
113.15017	0.3
116.22934	0.3
120.79787	0.3
128.03297	0.3
178.96526	0.3
269.72739	0.3
388.16898	0.4
389.17615	0.9
401.17957	0.5
402.18567	0.8
403.19165	3.2
404.19812	0.6
405.20868	1.2
416.15729	0.4
416.20554	0.6
417.21243	4.5
418.21960	1.8
419.22424	3.0
420.22940	0.4
430.18118	0.9
431.18076	7.7
431.23608	0.8
432.19452	1.8
432.24081	0.7
433.24060	7.6
434.24677	0.9
444.19043	0.6
445.19995	10.6
446.20663	4.6
447.21643	3.9
449.23651	0.7
459.21570	3.5
460.22617	10.4
461.23233	10.3
473.23645	2.9
474.24146	1.0
476.25900	1.0
477.22623	0.6
487.24960	1.4
489.26242	0.5
491.24469	0.7
492.25238	0.9
505.21756	4.4
515.24316	0.5
518.23175	0.7
533.25513	43.9
534.25836	0.9
547.26898	0.7
564.23322	0.5
565.28125	1.2
593.27606	100.0
594.27692	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.05279	1.1
55.05510	11.5
57.03442	8.8
57.07078	32.3
64.23624	1.1
64.68297	1.0
65.03944	1.5
67.05508	51.3
69.07062	11.2
70.65602	3.1
71.05003	1.4
71.08634	19.9
79.05067	1.9
79.05493	23.9
81.07061	54.7
83.08624	11.4
85.06528	2.2
85.09801	1.0
85.10194	10.0
89.06026	1.6
91.05479	13.1
93.07044	35.7
95.04927	1.5
95.08608	48.2
97.10174	5.7
99.34566	1.1
104.50116	1.1
105.07053	11.0
107.08596	21.2
109.10159	24.3
111.08122	1.1
111.11728	1.8
117.07010	4.2
119.08601	9.3
121.09323	1.9
121.10149	19.4
123.11731	9.1
131.08569	14.1
133.10133	7.8
135.11696	11.6
137.13246	3.8
145.10126	7.8
147.11673	7.2
149.13263	10.1
151.14919	1.4
159.11685	6.8
161.13229	5.0
163.14824	6.3
173.13264	6.6
175.14818	2.2
177.16377	2.0
187.14771	2.4
195.75583	1.2
201.16472	1.1
230.13672	1.0
233.22728	2.9
239.23662	2.9
243.21103	11.0
257.24716	1.6
261.22144	59.5
279.23187	2.1
281.15884	1.1
299.23749	1.6
313.27374	100.0
317.24799	8.9
335.25818	67.5
573.48828	27.1
591.49976	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	592.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.0
55.05503	5.3
56.05025	2.1
57.07057	2.2
60.04504	2.7
63.39328	1.2
65.74688	1.3
66.61239	1.2
67.05515	13.8
69.03410	3.1
69.07061	4.4
69.07427	1.6
70.06573	1.6
71.04978	4.6
74.78085	1.3
79.05497	17.7
80.05009	3.2
81.03433	3.0
81.05771	2.1
81.07062	11.9
82.06569	5.1
83.08620	4.5
85.02913	2.0
85.06541	2.0
91.05497	8.2
93.07053	23.2
94.06553	15.3
94.46809	1.2
95.04939	2.6
95.08047	2.0
95.08618	22.1
96.08150	2.8
97.06515	4.9
97.10155	1.7
105.07035	10.9
107.07299	2.4
107.08580	1.9
109.10141	2.2
110.09708	8.4
111.08091	14.2
122.09671	32.3
123.08067	25.8
128.10715	32.9
133.10101	1.9
140.10707	100.0
141.09085	11.0
149.13135	1.5
158.11812	8.3
198.89523	1.3
201.27010	1.3
217.10306	1.6
241.18123	1.6
272.25891	6.9
282.86862	1.7
382.33215	9.3
394.33130	18.5
412.34238	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1298
Annotation	Robinetinidol-(4alpha->8)-dihydrorobinetin
Peak:m/z	Relative Intensity
53.03959	0.6
55.01873	0.7
65.03934	1.3
67.05480	0.9
68.99786	4.2
69.03404	0.5
70.50522	1.8
83.04987	1.6
87.93352	0.5
88.29045	0.5
89.03872	0.6
91.40404	0.5
95.04952	1.2
107.04932	0.5
109.25755	0.6
110.97021	0.6
111.00783	1.3
111.04433	3.6
121.02865	3.6
123.04438	3.3
127.03890	1.6
135.04404	1.8
137.05968	1.2
139.03911	63.2
145.06483	0.9
147.04369	1.0
151.03912	4.4
153.05489	1.2
155.03333	0.7
163.03912	100.0
165.05489	1.3
169.04991	1.1
169.06401	0.6
173.06010	1.6
175.03923	0.9
177.05490	1.5
179.03448	1.1
181.04935	2.3
181.86372	0.6
183.04448	1.4
185.05952	1.1
187.03947	1.0
197.06027	1.3
200.04739	0.8
201.05504	3.6
203.08089	0.6
205.04959	0.7
213.05481	2.4
215.03444	5.5
221.05997	1.1
225.05473	1.1
229.04987	8.8
237.05473	1.5
239.07030	1.1
241.05020	2.1
243.02907	1.1
245.04396	1.8
249.05602	1.0
253.04878	2.9
255.06468	0.7
257.04456	8.8
259.06042	2.1
261.03958	6.1
262.04642	0.9
265.05005	0.9
267.06497	1.9
269.04510	1.4
271.06100	2.0
275.05511	26.6
277.04825	1.2
281.04480	4.1
283.06125	0.9
285.04099	0.6
286.04688	0.6
287.05450	8.2
289.07111	0.9
295.05957	5.4
297.07626	1.2
299.05493	6.3
301.07162	1.9
307.05777	0.7
311.05438	1.4
319.05884	1.0
321.07605	0.7
323.05475	2.1
333.07516	1.8
337.06961	0.8
341.06787	1.0
349.07440	0.7
361.07175	2.6
379.08090	1.5
389.06525	2.2
393.05939	0.7
407.07690	12.5
423.07016	1.0
425.08694	31.5
437.08633	1.8
449.08722	3.5
455.09659	2.4
467.09448	2.1
575.11865	7.1
593.12665	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85042	1.8
55.05502	8.6
57.03442	13.0
57.07079	33.9
62.88141	1.7
67.05173	1.7
67.05510	11.3
67.05795	1.7
69.07061	6.5
70.11103	6.6
71.08640	28.0
72.08920	1.9
72.31240	1.9
78.72754	1.8
79.05496	8.9
81.03424	53.8
81.07059	18.8
83.08625	18.5
85.10194	14.7
89.06042	2.9
91.05488	15.9
92.91678	2.0
93.07040	8.6
95.04975	14.8
95.08601	13.8
97.10197	4.1
105.07035	9.1
107.04945	2.5
107.08608	4.7
109.06519	2.6
109.10157	7.8
111.08110	4.0
117.06956	2.3
119.08592	8.9
121.10155	5.2
123.11699	4.8
129.07004	7.0
131.08600	9.4
133.10124	7.3
135.11684	2.1
137.13261	2.5
147.11671	8.8
149.09639	3.1
157.10161	9.4
161.13283	3.0
175.11188	4.9
176.15092	1.9
187.80289	2.0
193.12279	19.3
230.43460	2.0
239.20955	2.0
239.23508	2.5
242.19862	3.9
257.24713	3.4
259.20486	6.3
260.20905	3.5
267.13025	4.8
267.15933	100.0
272.78217	2.2
313.27380	95.9
314.27643	6.7
334.24411	4.9
447.75580	2.2
468.05176	1.9
505.38892	79.3
506.38815	2.6
590.48566	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	591.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	3.2
53.03945	11.7
55.01871	19.3
55.05267	4.4
55.05514	53.1
57.03440	15.4
65.03937	6.8
67.05509	100.0
69.03435	10.3
69.07070	30.3
71.04990	14.5
71.53255	3.2
79.05501	84.7
79.05970	4.3
81.03419	52.6
81.07063	94.4
83.04990	15.3
83.08614	30.1
85.02901	5.4
85.06556	8.8
91.05486	65.7
93.06480	5.7
93.07051	90.9
95.04980	35.2
95.08610	49.5
97.02888	6.5
97.06541	27.3
97.10161	33.1
99.04450	4.7
103.05452	3.7
105.07040	64.0
107.04951	23.3
107.08599	54.6
109.02887	4.7
109.06498	14.4
109.10153	34.1
111.04446	7.1
111.08103	8.5
115.05419	5.0
115.65298	2.5
117.07037	24.7
119.08589	42.7
121.06516	13.3
121.10160	46.2
123.08086	6.8
123.11729	8.8
125.09637	26.0
128.06215	6.2
129.07016	25.6
131.04836	2.7
131.08580	39.7
133.06500	8.6
133.10127	34.9
135.08073	14.6
135.11691	22.4
137.09660	9.4
139.07617	3.6
141.07007	5.4
142.07841	3.6
143.08598	16.7
145.06514	9.3
145.10143	39.1
145.97743	2.7
147.08064	10.0
147.11710	32.6
149.09615	25.1
149.13278	5.9
151.11218	6.4
155.08566	12.4
157.10144	16.3
159.08046	7.6
159.11670	18.1
161.09567	7.1
161.13280	8.5
163.11176	19.5
169.10146	8.7
171.11711	11.8
173.09653	7.4
173.11815	5.8
173.13283	10.8
175.11198	12.4
175.14767	3.2
177.12749	4.4
181.10114	4.3
181.12254	5.6
183.11685	9.0
185.13280	8.7
187.11226	7.6
189.11246	14.7
189.12747	4.6
191.10689	9.5
193.12257	15.4
197.13318	3.6
199.14865	3.9
205.12257	4.0
209.11644	5.9
209.13492	4.3
211.13283	9.4
221.13304	3.2
225.14745	3.9
227.12770	37.9
227.14722	4.8
229.14362	3.3
233.15387	4.6
235.13344	3.4
241.14305	3.2
249.14906	3.9
253.19630	3.1
255.15993	6.5
259.15463	10.1
259.20618	16.6
267.15915	22.1
273.14908	4.6
273.18607	4.8
275.19873	14.4
277.21844	3.0
281.19006	2.9
289.14410	3.2
291.19662	14.0
297.22083	5.2
299.20016	9.2
301.14410	4.7
313.21649	7.3
315.18036	8.5
315.23425	7.3
317.21063	6.3
331.22781	5.2
333.24399	6.3
347.22226	3.8
349.23770	8.3
373.23688	6.9
400.05682	3.4
429.26407	4.9
431.29520	6.0
447.27356	9.0
449.30737	5.5
465.28085	3.6
467.31448	8.5
477.28644	4.1
523.34241	8.8
525.28204	3.2
533.34711	7.2
541.35272	54.0
555.29510	5.9
559.36340	34.8
573.38428	23.6
591.39606	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
55.05511	16.0
56.05629	2.7
57.03442	9.7
57.07079	40.4
58.82999	2.7
67.05510	34.6
69.07083	17.1
69.48920	20.8
71.04986	3.2
71.08633	30.2
76.03221	2.7
79.05502	31.4
81.07062	42.6
83.08618	12.7
85.06570	4.6
85.10193	13.1
91.05492	43.2
93.07052	38.9
95.04962	3.5
95.08611	37.1
97.10184	5.5
99.08087	3.5
105.06390	2.0
105.07036	53.6
107.08603	18.6
109.10165	18.8
109.63128	2.8
117.07008	12.7
119.08588	45.2
119.79823	2.4
121.10143	13.5
122.48214	2.6
123.11734	4.6
129.05487	3.8
129.07028	7.8
131.08546	22.4
133.10143	37.8
135.11691	20.3
143.08551	6.3
145.10129	15.5
147.11688	39.5
149.13245	8.9
157.10178	8.9
159.11745	13.8
161.13263	38.2
163.14865	3.7
171.11703	10.8
173.13287	7.5
175.14854	16.1
185.13248	7.5
187.14844	5.5
199.14832	5.8
213.16467	3.5
231.21152	7.6
239.23642	3.6
241.19533	36.7
259.20593	85.4
313.27383	100.0
315.23416	5.2
333.24261	53.1
351.25336	3.4
522.91895	3.1
571.47449	13.9
589.48700	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	13.7
56.26046	2.9
57.03434	9.1
58.56085	2.4
62.19952	2.4
67.05512	20.5
69.03423	3.1
69.07063	6.6
70.42365	2.3
71.04990	3.5
71.53255	2.5
74.09699	3.9
75.04355	2.3
76.61816	2.5
76.67092	2.4
78.66564	2.5
79.05500	21.9
79.75155	2.2
80.64944	2.4
81.03426	61.8
81.07081	22.5
83.04980	9.2
83.08624	18.7
85.02900	9.1
89.30856	2.7
90.03095	2.2
91.05488	27.2
93.07056	18.7
95.04967	25.0
95.08597	7.9
97.02890	3.8
105.07046	14.5
107.04948	7.1
107.08591	6.5
107.42007	2.6
109.10179	4.2
111.04443	2.7
111.08082	6.3
114.23563	2.3
116.24063	2.7
117.07059	4.6
119.08613	15.7
121.06507	3.0
121.10156	6.1
123.08068	2.9
129.07004	10.4
131.08588	9.6
133.06502	4.3
133.10132	9.6
142.07700	4.3
147.08093	3.5
147.11717	12.9
149.09607	5.1
157.10103	9.5
165.12807	3.4
175.11186	11.8
193.12244	35.1
211.13307	40.8
267.15939	100.0
285.17001	47.1
308.42578	2.8
349.21500	3.0
367.22443	5.5
385.23743	13.0
403.25110	3.2
433.26169	3.4
441.26443	6.0
459.27441	63.1
477.28516	59.7
590.33759	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02340	1.0
53.03940	1.4
55.01895	1.0
55.05505	1.1
57.07080	22.3
57.07349	2.2
61.52597	1.0
69.07057	2.7
71.08637	47.7
73.06566	1.5
77.03901	0.9
79.05484	1.6
81.07049	2.3
81.56432	0.9
83.08619	1.2
85.10186	24.5
87.04482	13.8
89.06039	100.0
91.05491	9.5
92.63511	1.2
93.07046	7.9
95.04980	2.0
95.08608	1.6
97.10213	1.2
103.05466	1.8
105.07061	4.7
107.04964	4.1
107.07051	1.8
107.08603	3.0
109.10166	1.3
117.07018	2.6
117.09169	1.1
119.08586	4.3
121.06515	27.3
121.07378	1.3
121.10162	1.1
127.14825	2.5
130.08630	3.1
130.68257	0.9
131.07065	6.2
131.08592	1.7
133.08615	65.6
135.08049	4.2
135.11731	1.2
136.05185	1.6
145.10089	1.5
147.08038	9.0
149.09615	4.7
149.13322	1.8
150.06729	1.6
159.11655	1.1
161.13185	1.3
163.11182	2.9
163.59492	1.0
164.08282	1.6
165.09126	12.5
167.10672	2.6
175.09679	3.5
175.11104	1.5
177.11253	28.5
177.12682	1.8
191.10684	2.8
193.12213	1.4
209.11685	6.8
211.13338	2.1
221.13855	6.7
227.12849	1.2
235.13341	2.8
247.20598	16.5
253.14581	2.3
255.15883	2.8
265.16550	1.7
273.22183	3.1
279.15982	1.9
283.17508	2.3
289.25034	1.7
291.23203	31.4
315.18008	1.8
317.24771	2.0
335.25803	10.1
359.20517	3.3
379.28220	1.3
403.23428	2.3
447.25916	14.0
485.34506	1.4
529.37482	1.3
555.39081	1.0
573.40076	27.9
590.42389	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	588.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.01876	2.7
55.05516	19.0
57.03445	11.4
57.03668	1.9
57.07074	17.0
67.05499	17.7
69.07069	23.7
69.57398	11.9
71.08632	9.9
71.83436	1.8
74.91288	1.7
79.05499	12.0
80.02460	1.9
81.03421	51.3
81.07063	19.1
83.04984	4.2
83.08621	29.8
83.09078	3.9
85.10215	4.0
91.05485	15.6
93.07070	12.7
93.07551	2.0
93.64380	1.7
95.04966	17.8
95.08595	14.0
97.02855	2.8
97.06515	4.6
97.10165	13.7
99.08069	2.2
105.07024	10.8
107.04968	3.7
107.08595	6.5
109.06567	2.9
109.10159	6.0
111.08077	6.0
111.11715	3.9
117.07008	2.8
119.08575	10.4
121.06573	2.0
121.10123	5.9
123.08107	3.0
123.11687	2.2
123.23609	1.9
125.09619	3.1
129.07014	8.3
131.08549	8.1
133.10095	3.7
135.11665	4.5
145.10159	3.3
147.11687	7.0
149.09619	3.6
157.10170	9.9
175.11221	5.6
185.08107	2.6
193.12251	16.9
202.30585	2.2
246.93013	2.1
267.15924	100.0
275.20026	3.9
311.25821	56.6
313.27377	5.5
320.53622	2.0
425.32129	4.2
453.24002	2.1
467.37967	2.0
503.37433	41.2
588.38757	3.0
588.47638	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	589.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01867	3.5
55.05515	7.1
57.03422	1.1
66.07835	1.1
67.05234	1.0
67.05506	12.7
69.03431	2.7
69.07059	4.1
69.18198	8.2
69.18600	2.9
71.05001	1.4
79.05492	13.1
81.03428	13.3
81.07065	12.7
83.04993	3.1
83.08659	6.3
85.06524	1.7
91.05489	10.5
93.07069	9.8
95.04968	9.6
95.08620	6.2
97.02903	1.4
97.06526	3.8
97.10174	8.2
98.20729	2.3
98.98484	2.1
103.65469	1.1
105.07030	6.7
107.04964	9.1
107.08604	5.8
109.06521	5.2
109.10162	5.2
109.45202	1.1
111.04434	1.8
111.08063	2.0
117.07018	3.7
119.08578	5.4
121.06504	4.8
121.10174	3.3
122.69739	1.0
123.08062	3.3
123.11667	1.5
125.06071	1.2
125.09647	7.0
129.06999	5.1
131.08556	5.8
133.06511	2.5
133.10100	3.2
135.08043	3.9
135.11668	2.1
143.08578	2.5
145.06451	5.3
145.10130	2.4
147.04488	1.8
147.08078	3.2
147.11667	2.9
149.09552	2.4
153.09099	1.8
153.12781	1.4
157.06422	2.2
157.10138	4.0
159.08076	2.2
161.09639	3.4
163.11200	2.5
169.10103	1.8
170.78429	1.1
171.11674	1.6
173.09514	1.9
173.13269	2.3
175.11104	2.2
179.10568	1.3
189.11252	2.7
189.12804	1.4
191.10654	1.2
193.12204	3.2
199.11340	1.3
201.12694	1.3
203.10756	1.3
209.13300	1.8
231.13730	1.2
233.15419	2.2
241.14226	1.3
254.65869	1.3
255.13869	2.3
273.14899	3.9
331.80106	1.2
349.21518	1.9
367.22668	7.5
385.23822	10.0
403.24841	2.7
441.26483	10.0
459.27448	100.0
460.27875	1.2
491.30103	7.0
511.78000	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01873	1.1
55.05513	28.3
57.03438	1.2
57.07080	9.3
65.03940	0.8
67.05508	6.9
68.05838	0.7
69.03423	0.7
69.07070	15.4
70.06611	0.6
70.32361	0.6
71.08638	2.0
71.54296	0.7
73.06556	2.9
79.05495	4.2
80.05849	0.6
81.03418	2.3
81.07056	11.0
82.07401	1.1
83.04989	1.0
83.08088	0.6
83.08623	57.2
87.04475	6.7
89.06036	100.0
91.05495	3.6
92.05825	1.2
93.07042	2.8
95.04961	3.7
95.08609	5.5
97.02909	0.8
97.10179	18.3
105.07038	3.0
107.04976	1.5
107.07064	4.6
107.08596	1.7
109.02914	1.1
109.06556	0.7
109.10167	2.3
115.05476	0.8
116.10776	1.6
117.07021	1.5
117.09129	1.5
119.08577	1.1
121.06545	1.1
121.10110	0.7
129.07030	0.8
130.08617	1.0
131.07066	2.9
131.08594	0.9
133.08607	59.0
139.14850	0.8
145.06528	1.1
145.10136	0.8
147.04472	1.1
147.11740	0.8
149.13351	0.8
151.09712	3.9
155.14355	1.6
157.15895	4.5
159.11707	1.1
161.06026	1.5
166.54329	0.7
171.08144	0.7
173.06010	1.4
174.06375	1.0
175.09654	2.2
177.11235	25.0
179.08591	0.8
187.07512	0.9
189.05457	1.3
190.05876	1.0
192.57080	0.7
195.12326	2.1
201.18559	2.9
221.13803	5.1
223.15439	0.7
227.20052	2.1
239.14972	2.3
245.21159	7.8
257.04550	1.8
258.05096	3.2
259.05643	1.2
265.16580	2.0
269.17499	0.9
271.22791	1.8
274.15381	1.2
283.17676	2.8
286.04892	1.9
287.05371	3.8
288.05890	1.7
289.23651	6.0
301.14441	2.1
302.04071	0.9
302.14651	3.4
303.04828	2.0
304.05325	1.1
309.19107	0.8
327.20163	1.3
328.24933	2.4
333.26224	3.3
351.27112	1.0
371.22739	1.9
376.18445	1.1
377.28937	2.0
394.19330	0.7
415.25403	4.7
421.31732	1.0
483.35434	1.3
527.38153	0.9
552.30597	1.1
553.39648	2.4
558.31403	2.2
570.31702	7.1
571.40570	18.1
588.08502	2.3
588.32550	10.5
588.42889	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	588.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.05499	20.8
57.03428	10.4
57.07068	7.1
57.72223	3.2
58.57347	3.6
65.37849	3.4
67.05497	13.2
69.07064	17.8
71.08640	6.5
71.45692	4.0
79.05489	11.2
81.03416	59.2
81.07046	11.5
83.05026	4.2
83.08636	25.7
91.05453	15.4
92.52627	3.4
93.07049	7.1
95.04944	16.7
95.08617	5.1
97.06517	4.4
97.10165	13.1
101.20319	3.1
105.07019	11.6
107.04955	4.5
119.08568	4.0
121.10155	5.7
129.07005	7.0
131.08603	6.1
147.11647	5.8
149.09692	4.1
157.10092	8.1
161.63470	3.2
193.12256	18.1
267.15939	100.0
311.25812	59.4
313.27502	3.7
425.42123	4.0
435.41251	3.3
503.37283	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01868	0.6
55.05515	4.3
57.03426	1.0
57.07056	1.2
58.06629	0.3
61.02920	1.0
62.06096	0.8
67.05508	3.1
69.03432	4.4
69.07074	5.4
70.06577	1.7
70.45850	1.1
71.04995	1.0
71.07377	0.4
71.08637	6.7
72.08157	3.2
73.02905	0.4
79.05504	2.3
81.03415	1.9
81.07062	5.0
83.04996	0.7
83.07345	0.3
83.08627	5.5
84.08141	1.5
85.02914	4.3
85.06543	0.5
86.06075	22.4
87.04509	0.5
91.05483	1.2
93.07054	3.9
94.06561	0.4
95.04984	0.7
95.08614	2.2
96.08144	3.0
97.02901	3.2
97.06532	1.7
97.10155	1.7
98.06048	1.5
98.09702	10.1
98.10345	0.5
98.20866	0.5
99.04443	1.1
99.08102	9.2
100.92476	0.4
105.07013	0.7
107.08585	2.8
108.08117	2.4
109.02892	1.0
109.06507	0.4
109.10155	1.6
109.29050	0.3
110.09697	0.6
111.08095	1.6
113.08378	0.5
114.09187	0.8
116.10743	54.4
117.07061	0.6
119.08622	0.7
121.10158	1.7
122.09687	2.3
124.07610	1.0
125.09634	0.4
127.03936	3.5
131.08615	0.4
135.11658	0.4
136.11192	0.5
138.09142	0.6
140.10692	1.1
142.12277	0.8
143.10667	2.5
145.04967	1.3
149.13277	3.1
152.10774	0.6
159.11664	0.9
163.11299	0.4
166.15947	0.5
167.14307	1.3
184.07465	0.8
196.17050	1.2
214.18031	17.0
225.11198	0.5
231.15993	1.4
238.18042	1.0
239.16364	1.9
243.12238	0.9
257.17471	4.5
261.13370	2.3
262.21838	0.5
264.23340	0.6
268.22729	0.6
274.21741	1.7
280.22809	0.7
292.22733	3.2
310.23773	20.1
328.24844	100.0
329.25183	0.5
376.23337	1.9
381.20328	0.4
395.83035	0.4
408.31006	1.7
414.90378	0.4
426.32187	19.3
472.29080	1.1
490.30188	23.9
570.32385	0.6
588.37671	12.4
606.14844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.1
56.84570	0.6
57.07081	29.5
67.05512	1.5
69.07081	4.3
70.80821	1.3
70.81141	0.9
71.08637	45.9
73.06563	9.7
81.07059	0.8
83.08626	1.3
87.04475	7.2
89.06040	100.0
92.43121	0.9
92.57266	0.8
93.07054	1.0
105.07089	0.8
107.07124	1.8
107.08583	0.8
111.11710	0.8
113.13311	3.8
117.09153	6.8
129.15317	0.7
130.08684	2.3
131.07074	2.7
131.08606	0.7
133.08617	50.8
135.10152	1.4
149.92821	0.7
157.15883	8.0
161.11781	2.2
175.09766	1.1
177.11240	21.6
177.12700	1.3
198.18645	2.1
201.18509	14.1
221.13843	5.0
239.14886	1.5
245.21164	10.1
265.16699	2.0
283.17532	1.7
327.20111	1.1
351.27679	1.2
459.28238	2.4
527.37500	1.0
571.40564	11.1
588.34454	1.2
588.43201	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	587.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07780	2.7
53.03946	6.5
55.01873	5.0
55.05516	24.2
57.03437	9.0
57.07059	2.4
64.53217	2.1
65.03931	2.8
66.14074	2.3
67.05180	4.7
67.05509	63.5
69.03455	2.3
69.07066	13.2
71.01344	4.8
71.52748	2.9
79.05501	42.6
81.03414	24.4
81.07059	49.4
83.04987	4.0
83.08624	9.9
91.05482	27.1
93.07048	42.0
95.04977	56.2
95.08603	32.5
97.06562	3.7
97.10175	8.7
103.05500	2.7
105.07032	24.0
107.04968	12.5
107.08606	28.6
109.02862	6.7
109.06527	9.5
109.10172	14.8
111.03436	2.3
111.04372	2.6
111.08125	3.9
117.07024	14.9
117.98396	2.2
119.08582	19.0
121.06543	4.4
121.10146	22.5
123.04436	59.6
123.11683	4.1
125.09655	5.3
129.07014	7.4
131.08554	14.9
133.06519	2.8
133.10124	12.2
135.08072	4.5
135.11696	15.7
139.03920	3.5
143.08557	4.0
145.06502	5.2
145.10104	17.5
147.08061	5.4
147.11714	6.3
149.05963	2.7
153.09096	4.6
155.08578	4.7
157.10123	2.8
159.11703	3.3
161.09593	2.5
161.13275	3.4
163.11200	18.5
171.11708	11.2
173.09683	7.0
173.13220	5.1
189.12738	9.7
191.10721	4.7
199.11125	2.6
205.42110	2.6
207.13818	12.3
217.12236	10.6
227.12624	3.6
231.08220	2.6
235.13284	79.7
235.15622	4.3
253.14340	2.8
261.22208	7.1
272.02188	2.3
291.15909	2.7
309.16992	49.7
335.25806	100.0
381.44879	2.4
412.27753	2.5
469.43951	2.3
551.37653	2.9
569.38416	50.5
569.47363	3.3
587.40027	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	587.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61783	2.5
53.03956	6.9
53.32898	2.7
55.01873	6.7
55.05520	23.2
57.03435	12.2
57.07059	3.2
62.60331	2.3
65.03935	3.8
67.05138	4.2
67.05507	78.4
69.07071	14.1
71.01344	6.0
71.05003	6.0
71.52877	3.5
71.88514	3.1
72.85199	2.6
79.05072	3.9
79.05501	49.3
81.03419	24.8
81.07063	57.7
83.04963	4.8
83.08636	13.8
91.05482	34.4
93.07044	55.5
95.04974	54.6
95.08619	36.7
97.06527	4.4
97.10197	12.7
105.07050	26.1
107.04969	11.5
107.08604	29.9
109.02884	10.8
109.06517	9.1
109.10173	22.1
111.08083	4.8
111.11687	2.8
116.85548	2.6
117.07000	14.5
119.08580	21.8
121.06519	5.7
121.10180	20.3
123.04443	61.6
123.08020	3.7
123.11719	6.6
123.56789	2.3
125.09638	8.0
128.06210	3.7
129.07021	11.7
131.04916	3.1
131.08566	12.4
133.10146	11.9
135.08083	7.9
135.11711	14.0
136.06241	3.3
140.63466	2.5
142.07748	2.7
143.08597	8.1
145.06496	8.2
145.10123	20.5
146.98779	2.7
147.07997	8.1
147.11713	8.8
149.09570	4.1
153.09128	4.5
155.08598	4.8
157.06499	2.7
157.10216	4.0
159.11702	5.6
161.13237	4.9
163.11205	17.9
165.12596	3.1
171.11682	10.0
173.09645	10.6
187.14856	3.1
189.12791	8.9
199.11110	3.2
207.13843	9.2
217.12251	8.0
235.13298	72.5
253.14265	3.6
261.22208	9.0
291.16052	3.0
301.14410	4.6
309.16977	57.6
335.25806	100.0
419.74860	3.2
477.33401	5.4
551.37421	5.1
569.30310	5.1
569.38452	57.1
587.39709	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	587.3218
Annotation	5-Oxoavermectin ''2b'' aglycone
Peak:m/z	Relative Intensity
53.03951	7.8
55.01877	7.8
55.05268	1.8
55.05516	25.1
57.03448	8.3
65.03936	5.4
67.05510	49.4
69.03432	4.2
69.07077	17.0
70.71741	3.6
71.01372	2.0
71.04997	4.4
77.03948	1.8
79.05499	42.2
81.03425	25.2
81.07065	58.7
82.11671	1.4
83.04983	8.3
83.08636	12.3
85.02935	1.6
85.06541	2.9
91.05488	41.7
93.07053	38.1
95.01346	1.7
95.04972	39.9
95.08617	19.8
97.02903	4.6
97.06524	7.5
97.10177	7.8
98.20820	1.5
103.05471	6.8
104.06229	1.5
105.03419	1.8
105.04544	2.3
105.07038	22.1
107.04966	15.1
107.08610	20.7
109.02892	11.2
109.06510	6.8
109.10171	8.2
111.04443	3.2
111.08075	4.2
113.05988	1.5
115.05483	8.2
116.64660	1.5
117.07027	18.1
119.04946	4.2
119.08600	12.4
121.02882	8.8
121.06540	11.9
121.10148	12.3
123.04433	3.7
123.08100	4.9
123.11687	3.7
125.06001	2.0
125.09645	6.5
128.06232	5.5
129.07011	9.3
131.04948	13.5
131.08585	14.4
132.05731	1.2
133.06491	13.7
133.10139	8.2
135.04440	2.5
135.08112	4.3
135.11688	5.9
137.02377	4.6
137.05969	3.8
141.07005	4.6
143.08527	7.6
143.78735	1.5
145.06491	17.4
145.10161	6.5
147.04424	8.4
147.08060	4.4
147.11681	6.3
149.05994	5.2
149.09642	3.1
149.13289	8.8
154.07796	1.8
155.08530	6.5
157.06522	6.6
157.10150	4.6
159.04469	3.1
159.08072	9.1
159.11716	5.2
160.05258	5.3
161.05994	18.0
161.09575	6.3
163.07504	2.2
163.11243	7.3
165.07021	2.2
165.12781	2.3
167.08592	3.8
169.06529	3.8
169.10167	4.4
171.04446	2.6
171.08066	7.5
171.11734	2.0
173.05994	22.0
173.09622	4.1
174.06773	4.8
175.03983	3.2
175.07600	5.4
175.11197	2.0
177.05530	2.2
177.12814	2.9
178.07732	1.4
179.08557	1.9
181.06532	2.7
181.10207	3.0
183.08112	5.2
183.11652	1.6
185.06009	4.8
185.09653	3.2
186.06744	2.6
187.07578	10.3
187.11284	2.4
189.05487	23.3
189.09148	3.1
189.11223	3.1
190.06271	2.7
191.06967	1.5
193.10170	2.6
193.12314	2.8
195.08083	5.0
195.11871	3.1
195.13847	6.5
197.05963	1.5
197.09674	3.8
199.07605	5.5
200.08388	2.3
201.05534	2.1
201.09097	3.3
203.08720	2.1
203.10629	2.6
205.10344	1.7
205.12302	1.7
207.11803	1.7
209.09622	3.1
209.13466	1.4
211.11261	3.1
213.09094	2.6
223.11238	1.8
225.09323	1.3
227.14511	2.2
229.12259	1.7
237.12698	2.5
239.10660	1.4
239.14395	1.8
241.22552	1.3
245.15440	1.8
255.13826	8.8
257.15417	4.9
265.12299	2.3
267.16046	3.2
269.17490	19.7
271.13269	1.8
273.14911	19.9
283.13278	11.7
285.14813	8.9
289.14291	7.5
301.14374	73.1
302.14938	1.6
303.15802	7.0
311.16370	1.5
319.15375	8.7
325.18100	2.2
328.24820	2.0
329.17511	1.9
339.15842	2.8
341.17450	1.5
357.17188	4.7
359.18546	1.8
375.18039	15.6
393.19205	5.4
431.25922	2.8
449.26749	2.8
459.25647	2.0
461.29172	1.9
467.28098	2.6
477.26663	4.1
495.27365	3.1
513.28552	3.5
523.30316	1.3
527.30176	5.5
533.28668	2.0
539.29834	2.8
541.31665	6.7
551.30524	8.2
557.31018	21.9
569.31140	76.2
587.32190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3216
Annotation	5-Oxoavermectin ''2b'' aglycone
Peak:m/z	Relative Intensity
53.03937	6.6
55.01862	5.7
55.05268	1.9
55.05511	23.0
57.03428	6.4
57.07055	1.9
59.04983	1.6
65.03940	4.8
65.13815	1.3
67.05506	37.2
69.03423	3.4
69.07072	11.3
71.05003	3.7
79.05493	38.3
81.03417	22.6
81.07055	47.4
83.04974	6.1
83.08626	12.0
85.02894	2.0
85.06565	2.3
91.05485	31.7
93.07043	30.1
95.01311	1.5
95.04972	28.8
95.08616	17.3
97.02893	4.3
97.06526	5.7
97.10163	11.0
103.05471	4.5
105.03420	2.0
105.07039	26.1
107.04951	11.2
107.08599	18.7
109.02859	9.1
109.06521	5.0
109.10156	5.2
111.04449	2.9
111.08054	3.0
115.05467	7.0
117.07011	15.6
119.04964	5.3
119.08574	11.0
121.02863	4.2
121.06502	8.0
121.10147	9.2
123.04417	4.0
123.08090	3.8
123.11730	4.3
125.09627	6.5
125.47047	1.4
126.92712	1.5
128.06223	3.8
129.07013	12.3
131.04910	9.1
131.08569	10.7
133.06483	11.0
133.10104	11.2
135.04356	2.6
135.08035	4.0
135.11696	4.9
137.02390	3.0
137.05997	3.4
137.09604	2.1
141.07019	6.5
142.07751	2.4
143.08580	8.2
144.05704	2.4
145.06496	13.8
145.10075	7.9
147.04442	8.7
147.08060	5.0
147.11720	7.9
149.05994	4.4
149.09619	3.1
149.13278	6.3
153.07010	3.1
155.08556	8.0
157.06451	7.2
157.10135	5.3
158.07178	1.6
159.08047	7.9
159.11649	6.9
160.05177	2.2
161.06012	14.9
161.09641	5.2
163.11220	5.2
165.05582	2.7
165.07018	3.4
165.12769	2.6
167.08572	5.4
168.09439	1.9
169.06509	3.5
169.10123	5.1
171.04439	3.7
171.08057	6.5
173.06001	14.5
173.09657	2.0
173.13272	1.5
174.06755	4.8
175.03940	2.0
175.07535	2.5
175.11151	3.0
177.12747	3.5
178.07890	1.4
179.08611	3.5
181.10147	2.8
183.08038	3.6
183.11722	2.2
185.05997	3.8
185.09624	3.6
185.13286	2.1
186.06805	1.8
187.07552	8.2
189.05479	22.3
189.09196	2.1
189.11208	2.7
190.06236	1.9
193.10143	2.1
193.12183	3.3
195.08038	3.5
195.11729	2.0
195.13826	2.8
199.07538	3.5
201.09206	2.3
201.12817	1.9
209.09634	2.0
211.07593	2.3
211.11316	3.2
211.13155	2.5
213.12721	1.9
223.13347	1.7
229.12360	1.7
235.11261	1.7
239.92685	1.4
243.13713	2.6
245.05157	1.8
249.12656	1.7
253.15779	1.5
255.13849	5.2
257.15311	3.5
267.16074	2.7
269.17441	14.6
271.13467	2.4
273.14871	18.6
283.13318	8.7
285.14691	9.7
289.14441	3.1
301.14365	59.8
303.16010	7.1
304.19180	1.7
307.17291	2.5
319.15454	6.0
331.19458	1.8
339.15848	1.6
345.17224	2.1
357.17093	3.8
359.18686	2.2
375.18048	15.7
393.19043	3.9
421.27652	1.8
431.25827	3.1
447.25211	2.1
449.27438	3.8
459.25443	2.7
461.29050	1.6
467.28027	2.0
469.26337	1.8
477.26566	4.9
495.27319	5.6
513.28314	2.6
523.30609	2.4
525.28748	2.7
527.30145	4.1
539.30048	2.8
541.31696	6.0
551.30164	8.7
557.31226	13.9
569.31024	62.1
587.32098	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
55.05502	1.9
57.03446	1.5
61.02910	1.5
62.50016	1.1
64.91089	1.2
67.05510	7.3
69.03431	6.1
69.07068	4.5
70.06591	1.6
71.05009	1.6
71.08645	7.7
71.53431	1.5
72.08166	2.1
77.55130	1.1
79.05492	5.5
81.03419	3.4
81.07059	12.1
81.14971	1.3
85.02921	5.3
86.06076	53.8
87.04463	1.7
88.26693	1.3
89.06055	1.6
91.05490	7.6
93.07056	3.9
95.04971	3.0
95.08624	2.8
96.08141	4.2
97.02884	3.7
97.06537	4.2
98.09682	8.5
99.04428	2.5
99.08101	11.6
105.07064	5.7
107.08611	2.6
108.08047	1.4
109.02909	2.2
109.06521	2.5
113.06049	1.3
116.10740	56.2
119.08607	8.2
121.10155	3.7
123.11682	1.6
127.03922	4.6
129.07047	2.9
131.08565	1.8
133.08647	1.1
133.10146	4.5
142.08675	2.5
142.12294	2.2
143.10719	3.6
145.04974	1.8
147.11708	18.3
157.10167	9.3
165.12744	3.2
175.11188	14.6
193.12207	7.9
200.16403	7.4
211.13374	1.5
214.18034	7.2
220.62642	1.1
229.14331	1.9
255.16078	1.4
261.13269	3.2
273.48352	1.2
295.52356	1.2
308.22250	8.8
326.23291	100.0
406.29971	5.8
408.42404	1.2
424.30673	24.2
488.28613	32.5
586.35992	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	585.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26319	0.4
53.20674	0.4
53.96310	0.4
56.96572	2.9
58.32435	0.4
58.99853	1.5
65.03922	1.3
69.83215	0.4
77.00902	1.1
82.99865	0.5
85.02892	0.5
89.00845	0.5
89.03904	0.5
90.32738	0.4
91.05487	12.8
97.01422	0.7
98.97578	3.1
100.99145	0.6
101.00889	6.5
110.97598	0.8
113.00842	2.5
115.02437	2.8
116.98606	0.6
119.01925	11.3
119.04945	26.7
120.05255	0.8
124.02476	0.4
124.99209	0.6
127.02425	0.9
128.98628	0.7
129.00323	1.0
129.03999	0.5
130.31657	0.4
131.01933	5.1
133.03493	4.1
133.06470	0.4
135.04398	0.7
137.02924	0.9
139.02402	0.6
139.03902	1.0
140.98640	0.5
142.03551	0.5
143.00133	1.2
143.01903	6.7
144.98132	0.4
145.03496	3.3
147.01367	1.6
147.04414	100.0
148.04762	2.4
149.02986	1.1
155.01913	1.4
157.03497	1.1
159.01445	1.8
159.05074	0.8
161.01440	0.6
161.02959	6.2
161.44841	0.6
163.03905	3.2
168.99809	3.2
169.03413	0.5
171.01384	2.9
172.97624	0.6
172.99214	0.4
173.02968	3.2
174.99294	0.8
175.00897	1.5
175.04582	0.6
177.02513	2.1
177.03850	0.5
179.03822	0.4
181.03488	0.6
183.01460	0.8
185.02980	1.2
187.00903	3.8
187.02472	0.9
187.04489	0.7
189.00856	0.7
189.02411	2.8
189.03897	0.4
190.98657	0.9
191.04016	1.2
195.01555	0.6
196.99443	0.7
197.02972	0.6
197.06613	0.7
199.00870	1.9
201.00800	1.0
201.02507	1.9
203.04092	0.8
205.00389	0.5
205.03493	11.1
207.03555	0.6
208.99745	0.9
213.02440	1.5
213.04224	0.5
214.76500	0.5
215.00397	2.9
215.04013	0.7
217.01958	3.3
219.01727	1.1
219.03391	0.9
219.05086	0.8
219.06821	0.7
223.01022	0.7
223.04539	10.8
227.00432	0.5
229.01840	1.2
229.03671	5.3
231.03529	1.7
233.01472	1.8
233.03329	1.0
237.00661	1.2
237.02760	0.8
237.06194	1.8
241.03606	0.6
241.05585	3.2
243.05219	1.0
245.04956	0.8
247.04652	16.0
251.02538	1.2
255.01668	1.1
259.04733	3.6
261.02646	1.4
261.06284	2.1
265.05652	10.9
269.02966	1.7
270.06158	0.7
273.02570	1.3
273.06122	1.3
275.02203	4.8
279.01718	0.5
279.07080	0.5
283.06546	1.4
287.04071	5.7
289.04025	0.8
291.00302	0.8
291.03491	0.9
291.06955	0.5
293.03265	2.8
295.06619	2.0
299.04160	1.0
301.00238	3.0
303.03409	0.9
305.04025	1.6
307.05362	0.7
315.03357	1.2
317.04984	1.6
317.10995	0.8
318.99786	0.6
321.10379	1.2
323.05765	1.0
328.99982	0.8
329.04163	0.5
333.02979	2.6
335.06204	2.8
343.02872	0.7
345.03418	1.8
347.00793	0.7
351.05338	1.6
361.03836	9.2
363.03992	2.1
369.06665	1.5
373.02423	0.6
375.05621	5.3
379.04941	6.8
381.06699	0.7
391.03668	1.8
393.06662	4.4
395.02890	0.5
397.06235	4.7
403.04523	3.7
411.07660	3.2
414.00491	0.7
421.05417	10.1
423.00595	0.7
434.09039	0.5
439.06873	1.3
444.07025	0.6
459.14249	0.5
461.05621	0.9
465.05402	0.9
475.07181	1.2
479.06882	0.9
489.04950	0.5
507.06299	1.3
519.05939	0.5
525.07422	2.4
567.07886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.05507	10.8
57.07064	7.8
61.96249	2.2
63.80684	2.3
64.32884	2.6
64.48216	2.6
65.03950	3.6
67.05508	17.7
69.07077	15.9
71.08621	2.7
71.54517	3.2
79.05484	22.0
81.07055	30.3
83.04978	5.0
83.08591	5.0
85.06545	4.2
89.06033	5.7
91.05482	47.6
93.07047	56.7
95.04964	34.8
95.05555	3.5
95.08607	31.9
103.05481	5.5
105.07039	90.3
107.04945	3.2
107.08594	47.4
109.06541	5.4
109.10170	27.2
115.05450	8.9
116.06233	3.3
117.07021	30.9
118.07831	3.1
119.08583	100.0
120.09371	10.8
121.06541	7.5
121.10141	30.6
123.08082	24.0
123.11703	6.2
128.06244	12.9
129.07021	20.0
130.07796	11.2
131.08574	57.5
132.09377	5.5
133.06447	5.9
133.10135	43.4
135.08066	13.4
135.11693	17.3
137.09612	6.6
138.10405	8.8
141.07027	11.3
142.07809	15.3
143.08559	48.7
144.09343	9.1
145.06509	3.1
145.10124	57.1
147.08112	4.6
147.11720	22.6
148.08861	3.0
149.09647	6.8
149.13261	4.2
151.11185	4.0
153.07050	5.4
155.08556	22.9
156.09358	14.4
157.10127	49.8
158.10924	8.0
159.08029	4.4
159.11693	35.9
161.09683	7.3
161.13242	3.6
163.11157	3.9
165.07005	6.7
166.07794	6.0
167.08546	13.5
168.09351	7.3
169.10115	25.3
170.10890	10.0
171.11690	25.7
172.12453	4.3
173.09596	4.1
173.13278	29.2
175.11215	3.2
175.14847	21.5
177.12767	6.0
178.07811	3.0
179.08537	15.9
180.09323	6.1
181.10124	20.9
182.10963	10.4
183.11714	29.3
184.12572	3.9
185.09760	4.5
185.13223	15.0
187.11270	5.6
187.14813	12.8
189.12750	4.7
191.14272	4.1
192.09407	4.7
193.10104	10.5
193.15900	3.4
194.10909	11.4
195.11713	23.6
196.12567	6.0
197.13287	24.3
198.14023	4.3
199.11194	3.3
199.14856	7.5
201.12808	4.8
201.16379	6.8
202.13452	3.6
206.10980	6.1
207.11711	16.9
207.13705	5.2
208.12445	5.5
209.13261	23.1
211.14827	11.8
213.16353	4.8
217.10126	3.0
217.15811	4.9
219.11659	7.0
221.13277	9.8
222.14034	4.5
223.14861	9.0
225.16438	4.5
230.16701	2.9
233.13306	7.3
234.13940	3.3
235.14888	8.1
237.16409	4.5
239.17964	4.4
241.15808	3.3
245.13383	4.1
247.14873	7.2
248.15392	2.9
249.16489	6.8
251.18015	5.0
253.16098	3.1
253.19539	2.7
255.17424	5.8
259.14828	4.1
259.20493	3.4
263.17886	6.1
265.19482	7.8
269.19150	3.8
277.19501	4.0
281.19119	4.8
283.20575	4.0
303.21051	5.5
311.29312	5.7
321.22171	9.8
335.79840	3.1
336.24615	7.3
354.25629	20.7
424.24051	3.2
446.31787	8.3
460.45114	3.1
492.36163	13.9
566.40509	5.3
584.42004	43.2
584.56274	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	584.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03819	1.4
51.00193	1.5
51.57713	1.4
53.03936	2.0
55.01874	2.0
55.05513	7.1
57.07073	11.1
59.05007	2.3
67.05508	18.8
69.03426	4.3
69.07076	8.4
71.08625	2.3
71.53789	1.8
79.05485	14.6
81.03422	2.8
81.07063	21.9
82.31635	1.8
83.04990	6.2
83.08620	5.1
85.06544	3.9
89.06042	10.5
91.05477	25.4
93.07049	32.4
95.04982	6.3
95.08611	22.9
96.08925	1.9
97.06556	4.0
103.05464	2.1
105.07038	46.5
107.08596	28.9
109.06528	7.1
109.10165	12.0
111.08101	2.7
111.23413	1.8
112.83701	1.6
117.07018	13.5
119.08591	59.2
120.09369	4.5
121.06519	3.9
121.10146	22.8
123.08076	8.4
123.11673	4.3
125.05981	2.5
128.06233	6.2
129.06982	13.2
130.07777	5.7
131.08586	31.1
133.06554	2.3
133.08592	7.0
133.09169	1.8
133.10129	29.7
133.11101	2.3
135.08066	11.3
135.11716	7.2
136.48706	1.6
137.09628	7.5
137.92056	1.9
139.07559	2.0
139.11176	1.7
141.07013	4.8
141.49785	1.7
142.07791	11.7
143.08577	21.1
144.09320	7.7
145.06496	2.0
145.09061	3.1
145.10141	38.9
146.10875	2.1
147.08087	13.9
147.11720	12.3
149.09630	5.0
149.13269	3.0
151.07576	4.7
151.11185	2.5
155.08568	12.9
156.09363	12.0
157.10136	39.0
158.10852	3.6
159.08076	5.4
159.11713	24.1
160.12413	2.1
161.09633	5.6
161.13264	4.7
163.11168	5.9
165.06999	2.9
165.09137	24.0
167.08586	3.8
168.09337	5.4
169.10132	15.9
170.10895	5.3
171.11714	20.0
172.12451	4.6
173.09663	3.7
173.13257	13.4
175.11176	8.0
175.14845	7.2
177.11258	4.1
179.08537	5.7
181.10091	9.0
181.12238	6.7
182.10855	4.6
183.11702	16.4
184.12465	2.5
185.09607	2.3
185.13280	13.7
186.13904	1.9
187.11156	2.7
187.14781	6.3
189.12738	5.6
190.13536	3.4
191.10648	1.8
191.14328	2.7
192.09283	2.2
193.10141	4.6
193.12219	7.1
194.10886	3.3
195.11690	12.1
196.12314	4.1
197.13263	13.7
198.10449	1.8
198.14159	1.9
199.11172	2.7
199.14827	5.5
201.12823	3.4
201.16396	5.2
203.14276	10.0
206.10997	2.1
207.11688	6.1
207.13831	4.9
208.12483	3.7
208.14651	4.8
209.13234	9.9
210.14014	2.4
211.11333	1.8
211.14841	6.1
213.12732	1.9
213.16347	2.1
215.14439	2.3
217.12128	2.1
217.15866	3.4
219.11745	3.2
219.13742	3.4
220.12471	3.2
221.13310	6.5
221.15349	41.3
222.15845	2.6
223.14743	8.1
225.16428	5.6
227.14497	2.3
233.13126	2.0
234.16158	7.0
235.14839	4.6
237.12750	3.9
237.16431	3.2
241.15860	2.4
247.14806	2.2
247.16963	9.0
249.16521	2.0
259.16989	3.2
261.16388	3.1
263.17941	2.0
267.17694	2.2
271.16998	2.2
271.20282	1.8
274.19241	2.4
275.17929	2.3
281.19028	2.2
283.17227	2.7
283.20508	2.7
286.19370	2.2
296.21255	3.3
299.20117	9.1
300.20920	2.8
311.20074	1.8
325.21780	8.7
337.21454	8.3
352.23996	56.8
365.24817	10.0
371.22607	3.3
376.27368	2.6
378.25381	2.6
391.26120	2.0
397.27478	2.5
398.28189	4.5
403.29764	2.0
404.30850	4.3
411.28635	2.3
412.29898	13.1
425.30618	3.4
431.29544	1.7
438.31525	9.5
489.33698	4.5
491.35211	9.5
492.35745	4.9
504.36020	100.0
549.40680	2.9
566.41162	3.4
569.39758	3.8
584.42224	26.5
584.56323	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	584.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.4
52.51826	0.9
52.82378	0.8
53.03947	1.9
55.05517	8.7
57.06865	0.9
57.07080	9.3
59.04992	1.8
65.03947	1.6
67.05219	1.1
67.05514	10.4
69.03407	5.1
69.07076	6.3
71.14066	2.2
72.60909	1.0
79.05495	14.0
81.07058	18.4
83.04990	3.0
83.08618	2.9
85.06537	4.8
89.06023	2.5
91.05481	26.8
91.50358	1.1
93.06481	1.9
93.07048	30.4
95.04976	4.1
95.08610	19.2
95.60659	0.9
97.06539	2.3
105.04520	1.7
105.07034	45.1
106.07833	2.1
107.08591	25.4
107.15933	1.0
109.06514	7.9
109.10170	9.9
109.77002	0.9
111.08109	2.2
115.05484	2.9
117.07022	14.3
119.06165	1.3
119.08585	58.8
120.09377	2.4
121.06496	2.9
121.10151	16.3
121.58331	1.2
122.07251	1.4
123.08039	7.4
123.11688	2.6
125.05952	2.2
128.06213	5.6
129.07014	11.3
130.07777	5.1
131.08569	27.4
132.09377	1.6
133.06517	1.3
133.08592	1.9
133.10130	27.9
135.08035	9.7
135.11710	9.8
137.09624	8.3
137.13245	1.1
139.07558	2.2
141.06975	6.0
142.07782	12.4
143.08565	24.0
144.09378	8.4
145.06616	1.2
145.10129	39.2
147.08055	12.6
147.11702	10.4
148.12369	1.0
149.09669	6.6
151.07524	5.4
151.11218	1.5
153.07010	2.0
153.09109	1.1
154.07787	2.2
155.08533	11.6
156.09386	11.6
157.10138	39.9
158.10959	7.3
159.08072	4.2
159.11699	26.5
160.12376	1.6
160.79442	1.1
161.09604	5.1
161.13216	5.3
163.11208	8.6
165.07016	2.6
165.07706	1.5
165.09108	22.0
166.07719	2.1
167.08592	4.9
168.09302	6.2
169.10124	15.6
170.10901	7.7
171.08015	1.2
171.11688	22.5
172.12459	5.3
173.09605	3.4
173.13269	15.3
174.10298	1.3
174.74615	1.1
175.11203	10.6
175.14816	7.9
177.09229	1.3
177.12790	2.1
178.07738	1.1
179.08524	6.6
180.09355	1.7
181.10158	8.8
181.12271	6.2
182.10915	5.8
183.11693	17.7
184.12477	2.5
185.09619	3.1
185.13249	12.5
187.11229	3.0
187.14830	5.4
189.12802	5.8
190.13522	4.3
191.10611	2.1
191.14409	1.9
192.09384	2.0
192.11325	1.1
193.10143	5.2
193.12105	5.5
194.10898	4.6
195.11729	13.2
195.13573	1.6
196.12506	4.8
197.09496	1.4
197.13242	12.9
198.13965	2.4
199.11227	4.6
199.14819	4.6
201.12791	4.9
201.16333	2.5
203.14284	9.5
206.10901	2.6
207.11682	6.4
207.13780	4.9
208.12463	3.3
208.14580	4.0
209.13266	13.7
209.15132	2.0
210.13989	2.7
211.11186	3.1
211.14844	7.4
213.12848	2.5
213.16527	2.8
215.14247	1.1
217.15822	1.5
219.11726	3.3
219.13820	2.7
220.12506	1.6
221.13249	7.0
221.15338	42.3
222.13940	3.2
222.15825	1.6
223.14838	9.3
225.12733	2.8
225.16379	3.0
227.14388	2.3
227.17853	1.3
229.12192	1.3
231.11693	1.7
233.13300	2.2
233.15378	1.5
234.14001	2.2
234.16165	8.3
235.14777	4.7
236.15735	1.3
237.12770	4.6
237.16380	4.0
239.14267	1.2
239.17915	2.6
241.15808	1.3
243.17545	1.4
245.13254	1.9
245.15472	1.9
247.14792	2.0
247.16988	9.1
249.16516	2.9
250.17287	1.7
251.14308	2.1
251.17996	1.9
253.16064	1.5
253.19545	3.0
255.17451	1.4
259.17026	2.2
261.16376	2.1
263.17914	4.2
265.19565	1.9
271.14490	1.4
271.17206	2.3
271.20483	2.3
274.19492	1.6
279.17542	1.2
279.20959	1.3
281.15759	1.2
281.18988	2.6
283.20520	1.4
285.18457	3.0
286.19427	1.6
287.19965	2.4
291.21201	1.9
296.21097	2.1
297.18481	1.3
299.20142	9.0
300.20526	1.4
307.20425	1.3
309.21991	2.1
311.20151	1.6
312.20911	1.5
312.24438	3.8
319.20602	2.5
321.18546	1.6
325.21622	6.3
337.21503	6.9
351.23160	1.2
352.23978	60.4
363.26593	1.3
365.24738	10.2
371.22775	1.2
376.27667	1.7
378.25476	2.0
383.25513	2.3
391.26138	1.7
397.27417	2.0
398.28098	5.9
404.30798	6.9
411.28897	2.6
412.29816	12.9
423.28955	3.4
425.30307	3.9
431.29456	1.5
438.31290	13.0
467.62949	1.2
489.33591	3.9
491.35245	11.4
492.35941	5.6
504.36023	100.0
505.36203	1.3
566.41101	2.0
569.39789	3.8
584.41962	24.4
610.58173	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4144
Annotation	Pectenol B
Peak:m/z	Relative Intensity
55.05508	6.3
57.07074	4.5
59.04994	1.9
65.03939	2.3
67.05507	8.7
69.03426	3.2
69.07061	3.7
71.03445	2.8
74.16417	1.2
79.05491	7.2
81.07059	10.8
83.04984	2.4
83.08619	2.1
85.06562	1.8
91.05488	10.8
93.07046	17.5
95.04955	1.9
95.08601	20.4
97.06557	1.7
105.07040	22.5
105.07703	2.1
107.04993	1.1
107.08594	14.7
109.06530	4.6
109.10152	7.6
111.08034	1.5
117.07030	4.9
119.08595	20.3
119.09377	1.8
121.06523	2.1
121.10152	13.9
123.08070	11.2
123.11704	1.9
128.06198	2.9
129.07042	4.4
130.07841	1.4
131.08585	9.0
131.60356	1.3
133.10138	11.4
135.08046	4.3
135.11720	3.1
137.09639	5.3
139.11206	1.4
141.06982	1.6
142.07823	5.0
143.08539	8.8
144.09341	2.1
145.10130	15.1
147.08067	11.1
147.11771	5.9
149.09633	2.6
151.07524	13.0
153.07037	1.3
155.08598	3.6
156.09407	4.6
157.10143	16.2
158.10960	2.0
159.11700	8.2
161.09612	3.2
161.13283	3.1
163.11150	2.7
165.09117	25.3
167.08542	2.5
168.09293	1.4
169.10103	7.8
170.10901	2.3
171.11731	11.1
173.13292	6.0
175.11310	1.4
175.14845	1.3
179.08575	4.2
180.09390	1.9
181.10138	3.1
181.12286	2.7
182.10883	3.2
183.11696	6.5
184.12567	1.7
185.09660	1.9
185.13240	10.1
187.11194	1.6
187.14880	2.7
189.12726	3.2
191.14421	1.5
193.10144	3.5
194.10965	2.9
195.11674	6.3
196.12582	1.3
197.13281	8.0
199.14807	2.4
201.60674	1.2
203.14320	12.9
207.11787	5.1
207.13846	5.5
208.12552	2.3
209.13280	8.4
211.14861	3.5
213.16423	2.2
220.12509	2.8
221.13278	4.2
221.15346	41.7
222.14119	1.3
223.14883	5.0
225.16400	2.0
229.16023	1.3
231.17450	2.7
233.13290	4.0
235.14883	3.0
237.16472	3.2
246.14029	1.7
247.14832	2.0
247.17068	1.8
249.16359	2.2
251.18044	2.6
253.19632	1.7
259.14847	1.8
263.17981	2.4
265.19583	2.5
271.20526	2.6
275.17838	2.2
277.19379	2.1
281.19183	1.9
283.20688	4.0
287.20264	1.6
291.17319	1.3
291.21008	1.5
295.20782	1.7
297.22159	4.1
349.25162	1.5
352.23853	1.4
357.25668	2.4
365.24973	1.9
375.27100	3.7
403.30014	8.6
436.49997	1.2
491.35254	2.9
503.35156	3.9
509.34412	1.6
547.39325	1.8
565.40375	26.8
583.41504	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.6
55.05511	18.0
57.07077	10.9
59.05012	4.0
62.38071	2.2
65.03942	2.9
67.05235	2.3
67.05511	28.5
69.03432	7.3
69.07075	23.6
70.65156	6.7
71.05004	3.1
71.08614	2.3
73.01328	2.1
77.06842	2.2
79.05491	26.3
81.07059	38.8
83.04982	7.0
83.08611	9.3
85.06536	7.5
87.04445	3.2
91.05482	49.6
91.67075	2.2
93.07051	62.1
95.04980	11.3
95.08617	35.8
97.06525	8.3
103.05490	5.6
105.07037	63.5
107.08595	48.9
109.06535	8.5
109.10168	23.6
110.19324	2.4
111.08092	3.4
115.05440	5.1
117.07037	19.7
119.06204	2.1
119.08588	78.9
121.06522	5.8
121.10151	60.2
123.08093	11.5
123.11684	5.9
125.06006	2.5
125.09625	4.7
128.06239	11.0
129.07007	17.9
130.07813	7.9
131.08582	37.8
133.06476	3.8
133.10129	47.2
135.08076	9.8
135.11674	14.9
137.09647	10.9
139.11145	2.3
141.07016	8.5
142.07779	24.7
143.08560	43.9
143.41101	2.3
144.09354	8.1
145.10129	55.5
147.08072	10.3
147.11690	18.2
149.09625	12.2
149.13390	3.2
151.07549	7.3
151.11224	2.7
153.06960	4.1
154.07799	4.6
155.08572	18.4
155.10695	3.8
156.09348	18.2
157.10135	55.9
158.10921	9.2
159.08105	3.8
159.11699	32.2
161.09637	6.9
161.13234	12.8
163.11186	7.6
165.07053	6.0
165.09117	13.0
167.08598	11.3
167.10684	45.9
168.09361	7.0
169.10144	32.7
170.10939	8.8
171.11664	30.5
173.09752	3.7
173.13255	30.6
175.11182	5.8
175.14822	8.9
178.07872	2.5
179.08614	13.0
180.09366	7.3
181.10199	17.6
181.12225	5.0
182.10956	9.9
183.11694	25.9
184.12503	4.4
185.13228	18.2
187.14885	9.2
189.12820	7.8
189.16333	2.8
191.14388	9.8
192.09404	6.3
193.10190	15.0
194.10814	11.7
195.11678	21.8
196.12451	6.0
197.13229	25.6
199.11287	2.7
199.14832	25.8
201.12708	3.9
201.16418	4.5
203.14372	8.8
205.10158	6.0
206.10910	8.0
207.11755	19.4
207.13632	3.8
208.12537	8.3
209.13287	25.8
210.14055	5.1
211.14919	12.5
212.83966	2.6
213.16313	4.4
215.14348	8.2
217.10217	3.7
217.15903	22.2
218.10814	3.0
219.11703	7.9
219.17375	3.2
220.12523	5.7
221.13272	16.3
221.15437	21.3
222.14084	2.3
223.14775	14.1
225.16425	8.0
227.14449	3.7
231.11617	5.1
232.12624	3.7
233.13269	8.7
233.15469	15.5
234.13972	3.6
235.14919	10.5
236.15707	3.5
237.16473	7.0
239.14294	3.0
239.17972	5.8
241.40486	2.8
243.11679	2.6
245.13239	3.7
246.14075	5.3
247.14932	8.2
249.16402	8.8
251.17926	4.2
253.15897	2.9
253.19589	2.4
255.17448	3.1
256.12662	2.8
257.13397	2.8
257.19113	8.8
258.14142	3.7
259.14825	5.5
260.15610	5.3
261.16510	6.7
263.18094	7.4
265.16638	2.5
265.19592	6.1
269.19073	4.4
270.97009	2.4
271.14771	3.1
273.16364	4.5
275.18030	9.0
276.18762	2.8
277.19586	4.2
281.19138	2.9
283.20541	14.6
287.17838	2.4
291.21078	4.0
293.19174	2.6
295.20471	4.6
299.20221	4.5
301.19403	2.9
307.20694	3.1
309.22104	2.8
311.20343	3.0
319.20746	4.2
331.24481	4.7
334.10974	2.5
347.23843	2.9
349.25357	7.2
361.25314	3.4
363.67914	2.5
375.26901	3.4
403.29962	2.8
491.35217	3.6
507.36243	2.5
534.63641	2.9
565.40674	20.1
583.41498	100.0
606.69690	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32568	1.0
53.03941	4.1
55.01870	1.9
55.05512	11.6
57.07084	7.3
59.05005	2.7
60.11591	1.1
65.03937	3.4
67.05173	1.6
67.05511	19.6
69.03429	6.0
69.07067	14.2
70.77782	2.4
70.78160	2.3
77.03915	1.0
79.05061	1.7
79.05496	20.9
81.03442	1.2
81.07059	24.4
83.04981	5.6
83.08614	7.7
85.06558	4.9
87.04462	1.0
91.05484	33.0
93.07045	44.0
95.04969	8.1
95.08611	27.5
95.09235	1.0
97.06515	4.2
97.10204	1.5
98.18417	1.0
103.05462	2.3
105.04520	1.7
105.07034	56.5
107.08601	37.4
109.06511	7.7
109.10156	16.9
110.71137	0.9
111.08095	2.1
111.11717	1.2
112.63145	1.0
113.09649	1.9
115.05451	4.2
117.07015	13.1
119.08585	56.6
121.06526	4.6
121.10145	46.0
123.08080	14.8
123.11739	6.6
125.06005	2.6
125.09611	2.2
125.33303	1.0
128.06213	8.5
129.07004	11.7
130.07787	5.3
131.08572	26.8
133.06493	3.2
133.10129	33.7
135.08057	6.3
135.11703	11.5
137.09625	6.3
139.11191	3.6
141.06989	5.8
142.07788	17.5
143.08569	29.5
144.09358	6.0
145.06491	1.0
145.10133	42.0
147.08031	7.9
147.11673	12.0
149.09630	7.5
149.13297	1.9
151.07526	13.2
151.11139	1.6
153.07047	3.5
154.07777	2.6
155.08569	12.1
155.10660	1.6
156.09344	13.4
157.10132	39.1
158.10921	6.3
159.08105	6.0
159.11703	21.4
161.09604	7.0
161.13289	6.3
163.11221	4.0
165.07024	5.9
165.09099	13.2
166.07802	3.0
167.08641	7.6
167.10675	23.9
168.09329	5.0
169.10118	22.9
170.10886	5.9
171.11684	23.7
173.09680	3.6
173.13264	16.4
174.10474	1.0
175.11177	3.0
175.14833	6.1
177.09100	1.7
177.12814	2.1
178.07735	1.6
179.08574	10.2
179.10048	1.4
179.95992	1.2
180.09387	3.8
181.10132	13.6
181.12241	5.8
182.10924	8.5
183.11703	21.0
184.12527	3.6
185.09714	1.5
185.13252	15.8
187.11249	2.2
187.14786	7.4
189.12695	6.4
191.14349	4.7
192.09438	3.4
193.10141	10.9
194.10899	9.1
195.11691	16.8
196.12486	6.9
197.13255	15.8
199.11163	1.6
199.14828	11.5
201.12836	1.5
201.16429	2.6
203.08635	1.3
203.14378	5.3
205.10139	4.5
205.15942	2.3
206.10983	7.4
207.11705	12.9
207.13826	7.1
208.12495	5.9
209.13274	21.2
209.15280	1.5
210.14081	3.0
211.11247	1.1
211.14816	12.9
212.15607	1.3
213.12839	2.0
213.16418	3.8
215.14323	3.0
217.10170	3.2
217.15924	4.7
218.10922	3.1
219.11755	4.8
219.17551	1.1
220.12514	4.0
221.13264	13.7
221.15425	24.8
222.14063	4.4
223.11446	1.2
223.14835	12.7
224.15547	2.1
225.12846	1.1
225.16376	7.6
227.14407	2.1
227.17970	1.8
229.15640	1.7
230.11060	1.8
231.11708	5.0
231.17513	1.8
232.12502	3.7
233.13620	7.0
233.15137	7.7
234.14014	2.7
235.14795	8.7
235.16896	1.6
236.15611	1.7
237.16382	6.2
239.18016	3.9
243.11800	2.6
243.17456	1.4
244.12662	2.4
245.13242	5.3
246.14024	3.8
247.14790	7.1
247.17076	1.1
248.15730	2.7
249.12759	1.5
249.16374	9.8
250.17165	1.4
251.14397	1.1
251.17964	6.0
253.15952	1.7
253.19630	1.5
255.17502	1.5
257.19046	5.6
258.14099	1.3
259.14682	5.6
260.15674	3.1
261.16400	7.6
263.17862	6.1
264.18811	1.1
265.19647	5.0
267.17484	1.8
269.13266	2.2
269.16537	1.0
269.19043	6.6
271.14944	1.9
271.20596	2.8
272.15759	1.4
273.16458	3.7
274.17120	1.7
275.17862	6.3
277.19568	4.3
279.17462	1.7
279.21011	2.2
281.19006	1.8
283.20575	10.0
284.15753	1.4
285.16187	2.1
285.18921	1.3
287.17950	3.1
289.19498	3.5
291.20975	1.5
293.19141	2.1
295.20663	4.6
297.22031	2.4
301.19507	2.4
303.21091	1.3
307.20441	1.4
309.22192	1.4
313.19458	2.1
317.22635	1.6
319.24194	1.8
325.19406	1.2
329.22717	2.2
331.24216	2.8
333.22263	2.2
335.23767	2.5
343.24359	1.6
347.23727	2.8
349.25232	5.4
357.25977	1.2
359.23593	1.7
361.25378	1.9
365.24786	2.0
373.25418	1.9
375.26837	5.3
385.28702	1.8
403.30203	6.8
491.34845	2.5
503.35184	1.7
509.34274	1.7
531.71594	1.3
547.39227	4.0
565.40454	22.9
583.41461	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.8
53.03944	2.6
55.05511	8.5
57.07079	7.3
59.04994	1.9
65.03938	3.2
67.05506	16.4
69.03420	4.9
69.07072	11.2
69.22875	5.9
69.23280	1.9
71.04977	0.8
76.35941	0.7
77.03929	1.6
79.05493	13.6
81.07054	19.4
83.04975	4.2
83.08608	4.7
85.06534	3.5
91.05480	28.0
93.07045	34.3
93.07641	1.6
95.04968	5.6
95.08607	22.5
97.06547	3.3
97.10150	1.3
98.20667	1.4
103.05479	2.8
105.04489	1.6
105.07029	45.4
107.05018	0.8
107.08598	30.0
107.09306	1.6
109.06531	6.2
109.10165	12.8
111.08112	1.8
115.05424	3.8
116.06236	1.4
117.07023	8.8
119.08583	49.9
121.06522	3.2
121.10148	30.6
123.08067	14.5
123.08945	0.9
123.11690	3.8
125.06015	2.5
125.09680	1.3
127.67245	0.8
128.06226	8.3
129.07010	10.8
130.07803	4.4
131.08572	21.1
133.06494	2.4
133.10133	26.8
135.08069	6.3
135.11699	8.3
137.06021	0.9
137.09612	7.7
139.07520	0.9
141.06995	5.8
142.07790	17.7
143.08563	25.2
144.09338	4.5
145.06424	0.9
145.10126	33.8
147.08052	13.5
147.11687	10.6
149.09628	4.8
149.13275	2.6
151.07545	12.2
151.11275	1.0
153.07016	3.1
153.09163	1.2
153.97165	0.7
154.07779	2.2
155.08560	11.0
156.09366	11.0
157.10126	35.3
158.10927	4.9
159.08107	3.0
159.11696	18.0
161.09587	4.7
161.13234	5.0
163.11189	6.0
165.07034	4.6
165.09106	24.4
166.07834	1.6
167.08562	6.1
167.10690	7.4
168.09325	5.7
169.10121	17.2
170.10918	6.4
171.08260	1.0
171.11688	21.0
172.12431	0.9
173.09673	2.5
173.13254	16.1
175.11240	2.8
175.14850	5.7
177.09074	1.1
177.12762	1.3
178.07870	1.8
179.08548	7.4
179.10675	0.8
180.09334	3.3
181.10158	12.3
181.12241	4.0
182.10921	5.5
183.11696	18.6
184.12531	4.3
185.09613	1.2
185.13278	13.6
186.10457	0.9
186.14064	1.2
187.11273	1.7
187.14847	4.2
189.12758	5.0
189.16466	1.3
191.08620	1.3
191.14278	4.9
192.09364	3.5
193.10158	10.6
193.11900	1.3
194.10895	7.3
195.11713	16.5
195.13501	1.0
196.12483	3.6
197.09602	1.1
197.13249	15.5
198.10211	0.8
198.14070	1.6
199.11179	1.5
199.14809	11.3
201.12717	1.1
201.16397	1.0
203.08665	1.3
203.14310	13.3
205.10146	3.0
206.10925	5.6
207.11746	11.4
207.13849	5.8
208.12531	4.9
209.13254	18.8
209.15118	1.3
210.14046	2.4
211.11244	1.8
211.14777	8.8
213.12764	2.1
213.16449	3.2
215.14357	2.2
216.09328	1.0
217.10188	1.8
217.15895	6.8
218.10959	1.5
219.11710	4.8
219.17520	1.0
220.12457	5.5
221.13287	10.2
221.15320	50.3
222.14061	2.7
223.14789	12.4
224.15778	2.0
225.12814	1.8
225.16354	4.8
227.14262	1.7
229.15858	1.5
230.10939	1.9
231.11703	4.8
231.13791	1.2
231.17505	2.3
232.12517	3.3
233.13283	6.9
233.15450	3.9
234.14127	3.0
235.14809	8.1
236.15689	2.0
237.12796	1.5
237.16389	6.7
238.17049	0.7
239.14365	1.3
239.17940	3.8
241.15912	1.0
243.11758	2.0
244.12386	1.3
245.13271	4.1
246.14091	3.8
247.14857	5.2
247.17117	1.9
248.15663	2.4
249.16364	7.5
250.17183	1.3
251.17902	4.7
253.19528	2.2
255.17447	0.9
256.12506	0.9
257.13336	2.7
257.19006	4.5
258.14105	1.3
259.14764	4.7
260.15598	2.5
261.16299	5.9
262.17383	1.9
263.17960	5.2
264.18729	0.9
265.19556	4.7
267.17407	1.2
269.18964	2.1
271.14697	1.4
271.20596	1.9
273.16458	3.4
274.17148	1.4
275.17905	5.9
277.19501	4.7
279.21173	1.8
281.19177	2.5
283.14801	1.0
283.20587	11.1
284.15616	0.9
285.16333	1.4
286.19360	2.2
287.17709	2.2
287.20197	3.0
288.18686	1.2
289.19550	3.3
290.20135	1.2
291.17798	0.9
291.21155	2.0
293.19095	1.8
295.20502	2.0
297.16254	0.9
297.22232	3.3
299.17526	1.3
299.20374	1.6
301.19266	1.6
301.22211	1.1
303.21149	1.0
305.22827	0.8
307.20596	1.6
309.22156	1.1
315.21201	2.0
321.22073	1.3
329.22714	1.4
331.24213	4.2
333.22214	1.4
335.23846	1.6
341.22720	1.2
347.23831	1.7
349.25287	5.2
351.23126	1.1
352.23911	1.5
357.25790	1.5
361.25272	1.3
365.24689	2.6
373.25232	1.0
375.26715	5.4
385.28809	1.2
401.28830	0.9
403.30032	5.6
466.40720	0.8
473.34036	0.9
491.35284	3.9
503.35254	3.8
509.34506	1.6
547.39355	2.3
565.40448	23.1
570.23163	0.9
583.41449	100.0
584.42078	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03173	1.5
53.03947	8.1
55.01872	5.2
55.05513	28.1
57.03437	12.5
57.91645	1.1
59.05006	1.6
61.02928	1.5
61.31499	1.4
65.03938	5.7
67.05507	96.8
69.03436	21.3
69.07056	7.2
70.72095	2.9
71.01357	1.5
71.04999	9.3
79.05494	25.4
81.03422	95.6
81.07058	33.4
83.04977	20.7
83.08624	26.7
85.02908	21.2
85.06541	3.9
91.05485	31.8
93.07046	17.6
95.04970	23.2
95.08615	14.0
97.02873	14.1
97.06527	4.1
97.10168	12.7
99.04458	4.2
103.03951	1.6
105.07038	15.9
107.04983	10.0
107.08605	12.9
109.02886	17.8
109.06519	5.3
109.10161	61.0
111.04442	14.5
111.08102	9.3
117.07025	5.1
119.04969	1.6
119.08578	16.8
121.06528	5.4
121.10159	8.1
123.04453	5.2
125.09641	11.1
127.03928	12.6
128.06200	1.3
129.05489	2.1
129.07018	7.7
131.04944	2.9
131.08597	8.2
133.06517	2.8
133.10139	7.6
135.08055	2.4
137.06024	2.3
137.09581	6.4
139.03914	3.1
141.07074	1.3
142.07793	2.8
145.10132	2.9
147.04436	2.9
147.08064	4.0
147.11693	10.8
149.05925	1.9
149.09631	4.4
155.08635	1.8
155.10661	6.6
157.10129	8.4
161.09702	2.9
163.11230	3.7
165.05577	1.5
165.12839	2.0
171.11671	1.8
173.11758	13.8
175.11183	10.0
181.12193	1.8
189.11235	4.9
189.12764	2.9
191.10741	2.1
193.12256	27.0
209.11699	1.4
211.13281	46.9
217.12224	1.6
227.12663	7.5
229.14330	23.1
231.13959	1.9
235.13359	4.2
249.14980	1.7
267.15915	12.3
273.14908	2.9
277.14432	3.1
281.13815	2.0
285.17020	4.0
299.14813	8.7
301.14352	4.7
303.15836	2.1
309.16803	3.0
319.15323	3.3
328.03757	1.7
329.21075	3.1
331.17706	1.5
337.16467	4.9
351.17990	2.6
355.17581	10.7
373.18561	4.3
375.17911	1.7
393.19193	1.7
403.24838	3.4
411.20148	5.1
421.25961	11.1
439.26901	23.9
455.26239	2.7
463.26932	2.8
505.27945	10.1
529.27673	4.9
535.28955	1.9
547.11426	1.8
547.29553	6.8
565.29938	13.8
583.31091	100.0
594.44525	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.7
53.03946	4.0
55.01867	1.3
55.05518	11.6
57.07080	10.8
59.04989	3.2
65.03943	2.5
67.05508	22.6
69.03436	6.7
69.07069	15.9
70.11338	4.9
79.05501	20.5
81.07058	25.9
83.05002	5.8
83.08618	8.1
85.06548	5.8
91.05486	38.1
93.07051	46.7
95.04983	5.6
95.07990	1.4
95.08614	28.0
97.06517	2.8
97.10182	1.8
103.05476	3.7
105.04521	2.0
105.07037	62.7
107.04954	1.3
107.08602	34.4
108.05847	1.3
109.06527	8.2
109.10169	13.6
111.08094	2.2
115.05471	4.5
116.06246	2.3
117.07025	15.0
119.06117	1.5
119.08588	61.1
121.06510	5.7
121.10146	40.3
123.08080	15.7
123.11721	4.3
125.06007	4.2
125.09673	3.1
128.06227	12.6
129.07022	16.0
130.07784	7.0
131.08580	28.6
133.06509	1.8
133.10139	32.4
135.08040	7.9
135.11687	11.2
137.09622	11.2
139.07600	1.2
139.11191	1.4
141.06985	7.4
142.07788	22.3
143.08568	32.9
144.09392	6.1
145.10139	43.8
146.10811	1.1
147.08060	16.0
147.11688	12.8
149.09622	6.0
149.13261	3.8
151.07547	14.3
152.06363	1.3
153.07069	2.7
154.07813	2.8
155.08551	15.7
156.09349	18.1
157.10143	47.7
158.10901	7.4
159.08081	3.4
159.11708	20.7
161.09637	5.5
161.13245	6.7
163.11217	6.1
165.07036	5.0
165.09119	28.7
166.07744	2.8
167.08560	8.6
167.10692	9.0
168.09373	6.0
169.10132	24.0
170.10954	8.6
171.11699	27.5
173.09656	3.6
173.13289	19.1
173.14694	1.5
175.11253	4.2
175.14853	6.6
179.08568	14.2
180.09377	6.3
181.10120	14.8
181.12273	4.9
182.10922	9.5
183.11713	27.1
183.13245	2.1
184.12529	4.4
185.09723	2.6
185.13274	16.4
187.11234	2.7
187.14865	4.0
189.12804	4.9
191.08554	1.7
191.14328	7.6
192.09364	6.9
193.10147	13.8
194.10904	10.0
195.11705	18.5
196.12531	5.0
197.13277	16.7
198.13968	2.1
199.11153	3.2
199.14832	13.8
201.12843	1.8
201.16484	2.1
202.07721	1.4
203.08643	1.4
203.14323	14.2
205.10178	3.1
206.10899	6.8
207.11746	16.8
207.13844	7.0
208.12473	6.9
209.13292	23.7
209.15236	2.0
210.14047	3.2
211.11336	1.5
211.14819	9.2
213.12782	1.8
213.16475	4.0
214.13463	1.2
214.74858	1.2
215.14394	2.2
217.10193	4.0
217.15833	9.3
218.10953	3.1
219.11760	8.5
219.17575	1.3
220.12457	5.4
221.13301	15.5
221.15439	57.9
222.14069	2.8
223.14824	13.3
224.15623	2.2
225.12862	1.9
225.16374	6.5
226.13408	1.3
227.14415	1.3
227.18033	1.7
229.10115	1.5
230.10875	1.6
231.11755	5.0
232.12547	4.3
233.13304	8.9
233.15472	5.2
234.14063	3.6
235.14809	10.3
236.15634	3.6
237.16377	7.2
239.14459	1.3
239.18039	4.1
241.15945	1.5
242.16174	1.2
243.11656	2.6
243.17473	1.9
244.12587	2.4
245.13263	8.1
246.14134	3.9
247.14857	8.3
247.17078	2.0
248.15581	2.4
249.16412	8.8
250.17192	1.7
251.18005	4.4
253.15875	1.4
253.19574	2.2
255.17445	1.7
257.13324	2.4
257.18997	6.3
258.14108	3.7
259.14871	5.8
260.15607	2.9
261.16397	7.1
262.17459	1.6
263.17993	7.7
265.19537	7.1
269.19202	2.3
270.14041	1.4
271.14709	2.6
271.20642	1.4
272.15634	2.0
273.16464	4.5
274.17255	2.9
275.17905	10.9
275.20111	1.1
277.19586	4.0
279.17572	1.7
279.21146	2.3
281.19110	2.6
283.20605	14.1
285.16153	1.4
286.19409	3.0
287.17569	2.0
287.20197	3.8
289.19507	3.9
291.21063	2.0
293.19034	2.6
295.20667	3.3
297.22284	4.0
299.17780	2.1
300.20908	2.0
301.19565	3.3
307.20343	1.8
309.22131	2.0
312.21091	1.3
313.19400	2.6
327.21094	1.9
331.24329	5.2
333.22131	2.8
349.25201	7.5
352.24042	2.2
357.25903	2.0
359.23901	1.6
365.24664	1.9
375.26904	6.9
385.29288	1.5
403.30127	5.9
491.34967	4.5
503.35187	4.4
509.34085	2.4
547.39453	3.6
565.40430	19.5
583.41486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35759	0.8
55.01873	2.6
64.36797	0.9
65.03936	3.2
68.99796	7.0
69.63263	5.2
73.54411	1.0
81.03438	1.8
85.02909	4.2
93.03371	1.6
97.02882	4.4
105.03313	0.8
107.04962	3.1
109.02902	1.4
111.04455	3.3
119.04973	3.8
121.02874	100.0
123.04398	1.3
129.07028	1.8
135.04442	3.0
137.05969	1.3
139.03912	3.1
145.06509	1.0
147.04431	4.0
149.05983	1.8
151.03915	3.3
153.01859	1.8
155.08684	0.9
159.04417	1.8
161.06003	2.4
163.03926	21.0
165.01820	5.4
165.05542	0.8
165.50853	0.9
173.05968	2.6
175.03897	4.6
175.66135	0.8
177.01816	5.1
177.05455	2.3
179.03426	1.0
181.04955	3.3
183.02872	1.0
185.06007	1.2
187.03935	2.9
189.01834	4.4
189.05530	2.2
191.03445	1.3
193.05055	1.7
195.02861	4.8
199.03923	2.3
201.05513	2.8
203.03394	5.3
205.04938	6.0
207.02855	7.2
213.05539	2.1
215.03398	4.2
217.05002	7.2
219.02875	8.8
223.05972	1.8
225.03831	1.6
229.04962	6.6
231.02908	10.7
233.04434	3.2
235.06026	3.2
237.04019	2.0
241.05006	2.6
243.02945	7.2
243.06473	2.0
245.04524	2.2
247.06049	4.9
249.03885	4.4
255.02956	2.1
257.04373	2.4
259.02588	0.9
259.06076	3.8
261.03967	14.4
265.07138	1.5
269.04529	2.0
271.06009	4.4
273.03955	8.1
279.05017	1.9
283.05917	2.1
285.04004	5.6
289.07025	1.2
291.04987	7.7
295.05945	5.1
297.03992	2.4
299.05573	1.1
301.07004	2.8
303.04962	2.1
307.06027	3.2
309.06146	5.8
313.07050	4.1
315.04993	5.3
321.07379	1.7
325.07047	3.7
327.04971	2.7
331.08191	2.1
333.06155	3.6
335.09116	1.2
337.07117	3.2
339.07385	2.0
345.06015	4.0
349.07193	4.0
355.08234	2.3
357.06119	2.1
361.07111	2.8
363.06958	5.2
367.07910	1.5
373.07535	1.0
375.07031	5.5
379.08148	9.9
391.08191	3.9
393.08179	14.9
397.09198	4.7
409.09149	7.7
411.09247	13.9
413.09155	1.0
415.09915	2.7
421.08990	1.5
427.10236	13.1
429.10077	1.5
433.09146	5.6
439.10330	1.8
440.84604	0.9
445.11267	7.2
451.10159	2.6
456.34283	0.9
457.11398	4.6
463.10419	5.2
469.11267	3.5
475.11398	2.0
481.11316	10.5
493.11365	4.1
499.12207	3.4
511.12430	9.4
529.13208	5.0
547.14624	5.5
565.15430	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.6
55.01855	4.4
55.05518	23.1
57.03444	9.6
59.04984	3.9
65.03945	2.1
67.05508	87.4
69.03436	16.7
69.07078	7.4
69.70501	6.6
71.04977	7.5
73.02927	1.3
79.05504	24.0
81.03421	86.0
81.07061	28.7
83.04982	18.0
83.08620	21.0
85.02914	22.1
85.06545	3.2
91.05487	27.6
93.07037	19.7
95.04972	21.8
95.08606	12.7
97.02896	16.4
97.06522	6.7
97.10200	7.6
98.21420	2.0
99.04439	3.7
103.03928	1.7
105.07029	18.1
107.04961	8.5
107.08593	12.1
109.02888	16.4
109.06519	3.9
109.10165	59.5
111.04444	12.9
111.08103	8.0
117.07011	3.2
119.04971	1.5
119.08591	16.7
121.06506	2.5
121.10152	6.7
123.04430	4.2
123.08122	1.4
123.11722	1.4
125.09644	10.4
127.03942	10.0
129.05505	1.8
129.07034	7.7
131.04977	2.2
131.08588	8.2
133.06531	3.0
133.10143	7.8
135.08061	2.4
135.11690	3.4
137.09605	4.4
138.49763	1.1
141.07034	1.8
143.08553	1.7
145.06557	1.3
145.10127	3.6
146.85101	1.2
147.08073	2.6
147.11720	9.6
149.05991	1.8
149.09619	4.2
155.10649	4.9
157.06544	1.9
157.10115	8.6
159.11726	2.1
161.06007	1.8
163.11201	2.1
165.12801	2.9
171.11661	1.7
173.09532	1.3
173.11746	16.2
175.11145	7.1
183.11568	1.7
189.11237	5.0
189.12740	1.9
189.30229	1.4
191.10756	2.6
193.12248	22.7
193.13892	1.9
211.13309	39.0
217.12262	2.1
227.12732	7.9
229.14360	23.6
235.13345	3.5
239.37300	1.4
259.13434	2.1
267.16000	9.7
272.60999	1.2
273.14865	2.6
277.14291	3.2
281.13797	1.9
285.16962	3.7
299.14917	5.1
301.14389	5.3
309.17059	3.2
319.15421	2.7
329.21164	1.8
331.17508	1.5
337.16580	4.2
351.18005	1.3
355.17606	11.3
373.18588	3.8
393.18991	1.8
403.24945	2.0
408.95480	1.3
411.20181	4.2
421.26117	9.4
439.26868	18.9
455.26520	2.1
463.27167	1.6
505.27930	8.3
529.28070	2.8
547.28839	7.1
565.29919	11.0
583.31104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.05516	18.7
57.03426	5.9
57.07075	3.8
63.94357	2.8
67.05177	4.6
67.05507	50.2
69.03423	3.0
69.07070	20.5
69.46344	21.2
71.04980	4.1
79.05489	23.8
81.03427	34.1
81.07060	48.7
83.04964	11.7
83.08624	26.1
85.02896	11.4
85.06525	4.4
91.05485	23.9
93.07069	21.8
95.04987	14.4
95.08607	37.5
96.08929	5.7
97.06524	4.1
97.10151	8.0
98.21475	6.2
100.05003	2.7
105.07045	18.2
107.04950	4.1
107.08578	12.0
108.79829	3.0
109.06516	4.6
109.10158	10.6
111.08067	6.7
119.08567	19.3
121.10152	13.4
123.11747	5.0
125.09674	2.6
129.06985	2.8
131.08582	7.2
133.10129	10.0
135.11653	7.0
137.09703	2.4
139.11172	2.6
145.10156	5.6
147.11681	12.3
157.10130	6.1
163.11180	5.4
175.11214	9.1
193.12326	21.1
206.66769	2.9
208.51358	2.7
209.20595	2.6
211.13295	36.8
227.12675	5.3
263.23553	3.8
267.15924	6.4
283.26395	17.7
285.16928	36.0
316.41370	3.4
324.30698	3.0
337.27374	79.9
338.27728	4.3
339.27750	3.2
440.08163	3.4
492.51633	3.1
529.38751	8.0
547.39874	100.0
582.40497	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	582.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.05516	18.7
57.03426	5.9
57.07075	3.8
63.94357	2.8
67.05177	4.6
67.05507	50.2
69.03423	3.0
69.07070	20.5
69.46344	21.2
71.04980	4.1
79.05489	23.8
81.03427	34.1
81.07060	48.7
83.04964	11.7
83.08624	26.1
85.02896	11.4
85.06525	4.4
91.05485	23.9
93.07069	21.8
95.04987	14.4
95.08607	37.5
96.08929	5.7
97.06524	4.1
97.10151	8.0
98.21475	6.2
100.05003	2.7
105.07045	18.2
107.04950	4.1
107.08578	12.0
108.79829	3.0
109.06516	4.6
109.10158	10.6
111.08067	6.7
119.08567	19.3
121.10152	13.4
123.11747	5.0
125.09674	2.6
129.06985	2.8
131.08582	7.2
133.10129	10.0
135.11653	7.0
137.09703	2.4
139.11172	2.6
145.10156	5.6
147.11681	12.3
157.10130	6.1
163.11180	5.4
175.11214	9.1
193.12326	21.1
206.66769	2.9
208.51358	2.7
209.20595	2.6
211.13295	36.8
227.12675	5.3
263.23553	3.8
267.15924	6.4
283.26395	17.7
285.16928	36.0
316.41370	3.4
324.30698	3.0
337.27374	79.9
338.27728	4.3
339.27750	3.2
440.08163	3.4
492.51633	3.1
529.38751	8.0
547.39874	100.0
582.40497	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	582.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	5.6
55.05511	39.3
57.03435	18.1
65.03963	5.0
67.05505	89.0
69.03423	6.0
69.07070	30.1
70.35570	9.0
70.35937	8.0
71.04989	8.4
79.05495	34.9
81.03418	57.8
81.06590	6.3
81.07056	89.9
83.04980	19.4
83.08627	33.7
85.02905	24.0
85.06546	5.8
91.05473	45.4
93.07051	43.5
95.04418	3.9
95.04970	24.1
95.08614	57.4
97.06504	6.2
97.10164	7.7
105.07044	39.2
107.04945	6.4
107.08584	17.9
109.06525	9.2
109.10176	24.7
111.04417	5.1
111.08058	12.8
117.07006	7.8
119.08575	38.5
121.03871	3.6
121.10145	17.5
123.08044	4.4
123.11716	10.1
129.07010	16.7
131.08604	22.5
133.06473	5.1
133.10144	29.2
135.11688	7.5
137.80019	3.5
143.08556	4.9
145.10109	9.5
147.11682	15.3
149.09618	9.4
157.10152	21.7
159.11758	3.9
161.13295	4.7
171.11755	4.5
173.13171	4.3
175.11221	13.8
193.12233	55.8
211.13280	79.2
221.15356	4.4
263.23825	4.4
267.15891	24.2
285.16965	100.0
297.57138	3.7
299.40137	4.1
337.27383	98.0
437.34055	4.9
529.38519	10.4
547.39941	82.9
573.25739	4.6
582.40582	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	581.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66053	1.9
55.01871	6.1
57.03432	1.9
57.69105	2.2
61.02911	4.2
62.79429	2.5
63.86642	2.1
71.11821	4.7
81.03439	3.1
85.02902	8.4
93.03416	2.6
97.02878	3.1
107.04951	8.1
117.03368	3.4
121.02905	4.6
123.04436	4.8
127.03977	5.1
127.30376	2.0
135.04428	12.0
137.02354	36.4
137.03336	3.4
139.03923	14.0
147.04460	3.0
149.42801	2.1
151.03894	5.0
161.02333	7.3
163.03925	7.4
173.06035	2.2
175.03992	3.9
177.01869	5.9
177.05510	4.5
179.03441	4.1
181.04935	3.0
187.03964	5.8
189.01843	13.7
191.03404	7.8
195.02875	6.7
199.03972	2.8
201.05643	3.3
203.03406	14.5
205.04910	2.8
207.02939	11.4
215.03397	6.9
217.04953	4.7
219.02855	8.9
221.04384	5.3
227.03407	3.2
229.04971	5.9
231.02986	2.7
233.04411	4.8
239.03557	2.4
241.04999	3.5
243.02818	3.1
245.04451	3.5
249.11043	2.6
255.02974	5.6
255.06412	2.4
257.04495	5.0
269.04749	2.4
283.06116	5.8
284.06720	6.0
285.03986	2.9
285.07529	3.1
287.05481	2.5
288.29855	2.3
295.05978	6.6
296.06702	4.8
297.07593	7.7
299.05634	9.1
307.05939	3.5
308.06638	2.9
309.07559	5.6
310.04794	25.5
311.05539	87.6
312.06238	8.7
313.07089	11.2
321.07675	4.6
323.05521	63.0
324.06244	18.7
325.07123	23.2
329.06625	6.3
333.07452	5.0
335.05569	8.2
335.09216	2.8
336.06192	6.1
337.07062	40.4
338.07767	12.0
339.04953	4.8
339.08676	7.7
341.06561	100.0
347.05365	2.6
349.07059	24.9
351.04977	2.6
351.08820	14.7
352.05725	4.5
353.06570	75.4
355.07913	4.0
361.07025	7.6
363.08685	12.3
365.06583	44.8
365.10852	4.0
367.04300	3.4
367.08197	29.7
371.07623	12.0
373.07199	2.7
375.08655	3.7
377.06528	26.5
379.08099	13.0
381.09869	10.9
383.07596	11.8
389.06442	6.1
390.07126	2.5
391.08051	10.7
395.07632	96.0
401.06430	3.3
403.07968	5.6
405.09695	4.0
407.07675	31.5
409.09055	3.5
413.08673	53.9
417.09607	2.9
419.07703	25.9
421.09097	8.5
425.08646	45.4
431.09750	16.4
433.09509	4.5
435.11047	3.8
437.08807	16.5
443.09842	32.1
445.09531	2.9
449.08536	17.0
455.09756	23.3
461.10651	33.7
467.09723	34.5
473.10843	58.1
479.09592	3.4
485.10782	53.4
491.09915	14.0
497.10748	41.0
509.10760	32.1
515.11884	29.3
524.72601	2.3
527.11914	46.5
545.05121	3.7
545.12903	50.2
563.14032	34.9
581.14459	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	580.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01868	5.7
55.05513	21.9
57.03439	15.8
57.07084	5.4
60.87803	2.1
62.03749	2.2
65.03963	2.6
66.05344	2.1
67.05504	64.4
67.61501	2.6
67.85825	2.4
69.03444	3.6
69.07078	31.8
69.48361	16.7
70.31546	2.2
71.04996	5.2
74.17692	2.1
74.18115	2.2
79.05495	39.6
81.03423	3.8
81.06593	3.5
81.07061	71.4
83.04992	5.6
83.08612	20.9
85.06593	2.4
91.05482	21.5
93.07054	57.5
95.04971	11.5
95.08612	71.2
97.02888	4.6
97.06528	9.2
97.10175	7.7
99.04429	3.6
105.07056	18.7
107.04946	8.7
107.08598	35.8
109.06550	3.3
109.10152	22.1
111.08110	2.4
117.07028	9.7
119.08587	16.9
121.06526	7.1
121.10143	20.4
122.10539	2.4
123.11691	7.2
125.06006	3.6
131.08601	7.1
133.10097	11.3
135.08075	3.1
135.11694	45.4
137.13348	2.3
143.08595	2.6
145.10124	31.5
147.11682	4.9
151.11143	2.3
157.10124	2.9
159.11684	3.0
161.08243	2.6
163.11185	53.9
181.12259	8.2
222.38301	2.3
227.12785	80.3
263.23825	3.4
283.12598	2.4
283.15405	80.6
285.17081	16.4
335.25812	19.4
337.27365	100.0
338.27802	2.8
530.39557	8.2
545.38403	92.7
548.40192	5.8
580.39508	3.4
590.94550	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	581.1504
Annotation	Artabotryside A
Peak:m/z	Relative Intensity
52.27932	0.4
54.50547	0.5
55.01862	0.6
55.05497	0.7
55.51732	0.5
57.03193	0.4
57.03442	3.4
57.52771	0.4
61.02938	0.8
64.25282	0.4
67.05525	0.4
69.03123	0.6
69.03438	4.7
69.69653	2.4
71.01332	0.6
71.05000	16.7
73.02919	4.5
75.04487	1.2
81.03429	0.6
83.04970	2.0
85.02912	25.3
87.04462	0.7
97.02904	5.2
99.04446	1.7
109.07163	0.5
111.04455	2.1
115.03941	3.4
117.05495	1.1
121.02891	0.7
123.04445	0.4
127.03926	0.8
129.04533	0.6
129.05482	7.0
137.02361	2.7
139.03928	0.7
145.04955	1.1
147.06529	2.6
153.01854	2.5
165.01816	1.4
195.02882	0.5
201.05547	0.8
225.07631	1.0
226.37042	0.5
229.04959	4.2
243.08740	0.8
247.05876	1.0
257.04462	2.0
274.04974	0.5
285.04031	0.8
287.05447	1.5
303.05011	100.0
304.05460	0.7
315.05032	2.1
327.05246	0.8
329.06625	0.6
345.06097	2.0
353.06750	0.7
369.06073	1.8
381.05869	0.8
399.07040	1.9
417.08017	1.6
435.09207	5.7
473.73889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23646	1.5
53.96650	1.2
55.01866	5.1
57.03430	1.3
60.68958	1.2
61.02921	2.1
63.88272	1.4
69.03448	1.4
71.53428	2.0
71.53790	1.8
73.02929	2.3
75.55782	1.2
81.03440	1.6
85.02920	4.1
91.05505	1.8
93.03397	1.6
97.02889	1.3
98.97620	1.5
103.03954	2.2
107.01324	1.4
107.04980	3.0
109.02894	1.7
111.04421	2.1
119.04945	2.2
121.02879	3.1
123.04437	3.9
127.03951	2.9
131.04987	2.2
133.76764	1.2
135.04451	6.9
137.02351	27.5
137.09741	1.6
139.03926	12.7
147.04420	2.9
151.03934	2.0
159.04478	2.0
161.02380	4.3
161.09650	1.3
163.03906	3.8
175.03929	1.5
177.01849	3.5
179.03418	2.1
187.03909	3.1
189.01863	5.2
191.03413	3.9
195.02916	5.2
199.03928	2.2
201.05571	2.1
203.03401	11.2
207.02873	6.2
213.05524	3.6
215.03435	5.6
217.05003	6.2
219.02872	3.9
221.04514	2.2
227.03462	2.7
229.04944	1.6
233.04504	3.5
243.02905	3.1
243.06683	1.7
245.04402	2.7
252.10350	1.3
255.02847	2.3
257.04526	2.3
273.04047	2.2
283.06033	3.9
284.06796	2.8
287.05255	1.5
295.06070	3.0
296.06943	1.8
297.07654	2.8
299.05478	4.0
300.06354	1.8
307.06143	1.8
308.06937	3.9
309.07501	2.5
310.04745	13.2
311.05542	56.7
312.06216	5.1
313.07111	7.1
321.07693	3.2
322.08438	2.1
323.05573	36.7
323.09027	1.6
324.06265	12.9
325.07025	11.6
329.06644	3.6
333.07510	3.5
335.05469	5.2
336.06317	7.9
337.07104	31.1
338.07864	4.5
339.05005	2.8
339.08801	4.6
341.06598	48.5
345.07535	3.8
347.05475	2.0
349.07092	15.0
350.07953	3.6
351.04803	2.3
351.08646	17.0
352.05804	4.1
353.06577	46.8
355.08154	6.4
361.07111	10.6
363.08685	2.8
365.06589	33.0
365.10669	1.6
367.08215	15.6
371.07651	8.6
375.08685	2.8
377.06516	24.4
379.03604	0.9
379.08112	22.7
383.07568	6.3
389.06622	9.9
389.14691	1.7
391.08224	8.2
395.07651	48.4
403.08014	4.0
403.78436	1.4
407.07623	47.1
409.09229	1.9
411.10336	1.8
415.08124	1.6
417.09601	3.2
419.07574	5.2
425.08688	70.2
431.07416	6.8
433.09250	2.4
437.08722	5.5
443.09802	100.0
445.09006	2.8
449.08456	6.3
453.22540	1.4
455.09528	3.1
461.08499	6.1
473.10626	9.9
479.09662	4.8
491.11655	8.6
497.10825	18.5
509.10559	9.3
515.11871	16.7
527.11908	73.1
545.12946	37.1
563.13818	17.3
581.14886	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	580.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.0
55.05509	25.6
57.03441	11.9
57.94079	2.3
65.03895	3.6
67.05506	57.5
69.03396	2.3
69.07062	17.1
70.11911	6.9
71.04987	6.2
74.08504	2.4
79.05492	42.0
81.03420	48.2
81.07055	58.5
83.04982	15.2
83.08624	20.4
83.59489	2.4
85.02913	14.1
91.05484	37.2
93.07051	40.3
95.04961	23.4
95.08610	34.2
97.06521	5.9
97.10144	5.7
98.21486	3.4
105.07030	29.2
107.04957	4.7
107.08617	20.1
109.06544	4.8
109.10153	8.3
111.08065	9.6
117.07043	6.1
119.08569	18.5
120.60434	2.3
121.10155	18.8
129.06989	11.1
131.08553	15.4
133.10136	12.4
135.11687	10.5
142.26231	2.6
142.78838	2.2
145.10065	7.8
147.11674	15.9
149.09564	5.1
149.13281	3.9
157.10130	9.3
159.11708	3.0
161.13284	2.7
162.10316	2.3
163.14827	2.9
165.12860	3.4
175.11174	12.3
176.38475	2.3
193.12247	33.8
211.13283	42.6
261.22147	12.8
267.15955	13.5
269.17404	4.1
285.16916	42.0
335.25793	100.0
335.97763	2.4
351.25168	3.6
364.13916	2.4
390.78061	2.4
527.37164	12.8
545.38379	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.05522	24.0
57.03440	10.0
67.05509	43.6
69.07055	15.6
71.53081	4.3
71.53546	5.5
76.66208	3.6
77.82301	3.8
79.05511	36.5
81.02995	4.6
81.03424	57.4
81.07066	52.4
83.04987	9.1
83.08611	26.2
83.61632	3.8
85.02905	12.6
86.60728	3.7
90.86383	3.3
91.02616	4.1
91.05472	32.6
93.07053	35.0
95.04954	25.2
95.08609	34.2
97.10174	8.1
105.07047	24.7
107.04961	5.7
107.08606	17.1
109.10138	12.2
111.08077	9.5
117.07058	4.7
119.08603	26.1
121.10130	17.0
129.06998	5.9
131.08577	9.4
133.10127	15.0
135.11711	5.2
147.11656	16.3
149.09604	9.1
157.10176	12.3
175.11189	14.0
193.12288	37.6
211.13287	75.8
216.27219	4.1
233.88585	4.2
235.44826	3.8
261.22192	6.3
266.62445	3.5
267.15930	15.3
279.89966	3.9
285.16989	56.2
335.22046	7.1
335.25836	86.3
406.49695	4.1
460.17209	4.4
527.37189	6.3
545.30688	6.0
545.38477	100.0
551.54803	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	580.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	1.1
51.42013	1.1
52.87436	1.3
53.03928	3.0
55.01872	2.9
55.05515	23.6
57.03199	1.3
57.03448	11.9
57.07066	4.5
64.14988	1.2
65.03942	2.5
67.05513	54.5
68.05847	1.4
69.06734	2.5
69.07076	29.2
69.25193	2.4
69.25599	9.7
71.04980	4.7
71.08627	2.4
73.02888	1.3
79.05502	30.5
80.05822	1.7
81.03412	3.4
81.06590	2.8
81.07065	55.3
82.07397	2.4
83.04977	3.1
83.08624	17.3
85.06548	3.1
91.05498	20.8
92.05792	2.3
93.07053	38.2
94.07403	2.0
95.04971	6.8
95.08616	55.6
96.08942	1.4
97.02881	2.8
97.06518	5.8
97.10196	7.3
99.04473	3.4
99.08063	1.3
105.07040	16.1
106.07375	1.7
107.04952	7.1
107.08605	28.0
109.06513	2.5
109.10157	17.8
111.08077	3.1
111.11700	1.3
113.06047	1.5
117.07039	7.3
119.08591	14.8
120.08941	1.9
121.06522	4.1
121.10165	14.6
123.11710	6.5
125.06033	2.1
125.09572	2.0
131.08578	4.1
132.08882	1.4
133.10123	8.5
135.08054	1.8
135.10701	2.5
135.11700	33.1
137.13252	2.5
139.11172	1.6
143.08560	2.2
144.15176	1.3
145.10136	20.2
147.11685	5.1
149.13258	2.9
153.12732	1.6
159.11668	1.8
161.13271	4.2
163.11201	34.9
165.16417	1.5
175.11214	1.8
175.14822	1.7
181.12221	4.5
193.12213	1.8
227.12805	48.8
232.35448	1.2
245.22656	2.2
267.15927	2.3
268.16159	2.0
283.15424	40.8
285.17075	6.3
293.46301	1.2
329.69205	1.6
335.25769	7.4
337.27402	100.0
438.34393	1.7
468.37262	1.7
490.12958	1.3
530.39307	14.0
545.38477	72.6
548.40448	10.2
562.41345	2.5
580.40436	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	579.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59582	0.4
52.24746	0.4
61.02923	0.4
68.99795	1.2
69.83405	2.2
74.02444	0.7
79.83085	0.4
81.03419	0.8
85.02901	0.4
89.03915	0.5
91.05492	1.8
95.04993	0.5
99.04474	0.4
107.04977	1.1
109.02914	0.7
111.04416	0.7
114.60802	0.4
115.05476	1.4
117.06988	0.9
117.39407	0.4
118.06551	17.2
118.55604	0.4
119.04951	1.0
123.04434	9.6
125.06011	1.5
127.03922	27.2
130.06537	1.6
131.04947	0.5
132.08112	4.9
135.04407	7.0
137.02373	0.5
139.03905	11.7
142.06525	2.1
143.07346	1.9
144.04443	0.6
144.08095	12.1
146.06017	60.8
147.04413	2.7
149.02295	0.8
149.05991	1.0
151.03912	4.5
159.09193	6.8
160.07614	0.5
161.06015	1.0
163.03914	9.3
165.05490	1.8
167.03438	1.9
170.05991	5.0
173.05939	0.7
175.03903	1.0
177.05446	1.8
179.03377	0.9
187.03883	1.3
188.07074	100.0
189.07362	0.7
191.03395	2.7
193.05034	0.4
197.05959	1.1
201.05472	1.5
203.03490	2.5
205.09734	46.9
213.05721	0.6
213.07645	3.6
215.03632	0.4
215.07033	0.5
229.04922	1.8
233.04378	1.5
243.06567	1.7
245.04410	1.5
247.06058	4.1
251.05598	0.7
257.04434	2.9
259.06100	2.5
261.07532	0.4
269.04416	0.7
271.06027	4.7
275.05530	4.1
283.05859	1.2
287.05527	4.7
289.07034	3.9
291.08557	3.5
299.05698	0.9
301.06995	3.4
409.09207	7.2
411.10770	0.5
427.10364	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3018
Annotation	Atractyloside G 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.64825	1.3
53.03959	3.2
55.01889	3.0
55.05268	2.7
55.05516	33.9
57.03440	6.5
57.07086	3.0
59.05005	5.5
61.02918	4.0
61.93605	1.3
64.89988	1.6
65.03959	3.0
67.05511	60.2
68.99789	1.8
69.03433	15.5
69.07088	9.0
70.41207	5.5
71.05000	14.4
77.63954	1.5
79.05503	6.2
81.03426	5.8
81.07068	32.6
83.04991	28.7
83.08635	17.6
84.58670	1.7
85.02912	32.9
85.06554	9.1
87.04481	1.7
91.03974	3.1
91.05484	2.8
93.07045	8.7
95.04971	1.5
95.08614	69.8
97.02910	10.1
97.06552	5.8
97.10162	4.2
98.20888	1.7
99.04511	1.8
99.08109	2.9
101.06031	44.8
103.47187	1.5
105.07054	4.2
107.08614	10.8
109.02882	4.3
109.06522	2.0
109.10168	78.5
111.04453	59.5
111.08078	2.8
113.09649	1.6
115.03992	2.0
119.08610	6.5
121.10165	7.3
123.04410	2.0
123.08070	12.4
123.11736	2.3
125.09640	8.9
127.03955	9.9
129.05493	24.1
133.04921	2.5
133.10138	4.1
135.08089	3.0
135.11682	3.6
137.13239	3.5
139.03928	3.2
139.14711	2.1
141.09105	17.0
145.04988	2.6
145.10089	2.2
147.06543	8.7
147.11713	11.3
149.13295	4.2
151.11223	4.0
159.10202	2.0
161.09566	1.9
161.13245	2.4
163.11168	2.0
165.12810	7.2
167.14389	2.2
171.11697	2.1
175.11240	1.9
183.13786	10.2
189.12794	1.9
197.08128	3.2
203.18073	3.0
213.16432	2.5
215.09129	12.8
216.97795	1.5
225.07658	4.5
231.17474	5.7
243.08644	18.5
249.18530	28.7
267.19595	95.1
285.20483	7.0
287.05505	2.0
295.06259	1.5
352.74387	1.5
363.21817	3.7
381.22797	19.9
399.23828	24.5
417.24863	100.0
516.03204	1.7
537.74194	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73866	2.0
53.03930	2.8
57.03418	3.9
59.51175	2.0
61.02919	2.2
66.49751	2.1
68.99780	6.8
69.03429	34.4
70.65947	4.2
81.03411	4.8
83.04971	2.6
85.02900	11.0
91.05491	5.5
94.61573	2.5
95.04953	2.7
106.83616	2.0
107.04941	7.7
109.02881	6.2
111.04438	6.5
115.05516	2.1
119.04929	7.7
121.02873	47.6
121.06430	2.0
123.04433	94.2
127.03918	100.0
133.06493	2.2
135.04422	38.0
137.02338	3.3
139.03900	41.0
143.04947	3.4
145.02853	6.2
147.04372	20.0
149.02402	4.4
151.03920	10.6
157.06461	2.5
159.04430	4.3
161.05954	7.4
163.03922	51.0
165.01830	3.9
165.05428	9.1
167.03401	6.7
167.07002	4.9
173.06021	5.5
175.03935	6.2
176.01144	2.3
177.01855	3.4
177.05444	4.7
179.03418	7.4
181.04993	6.4
183.04399	2.1
183.08116	2.0
185.05969	2.6
187.03821	10.5
189.01823	6.9
189.05453	7.4
191.03389	18.3
193.04944	5.9
195.02960	6.1
197.05956	4.8
201.05463	9.5
203.03371	19.4
203.06862	3.2
205.05070	5.0
207.02873	8.1
207.06483	2.7
209.04381	3.1
213.05493	6.9
215.03418	5.3
215.06940	3.3
217.04930	7.6
219.02898	5.1
219.76160	2.1
221.04465	4.2
225.05652	3.9
227.07092	3.0
229.04959	12.0
231.02954	4.8
233.04466	6.6
235.66359	2.3
241.04997	5.8
243.06549	6.1
245.04468	16.1
247.05966	21.5
253.05066	3.2
255.06488	4.9
257.04440	21.2
259.06018	7.9
261.03864	4.4
263.81500	2.2
267.06564	2.3
269.04507	5.7
271.06033	26.2
275.05484	17.7
279.06543	9.4
281.08127	4.7
283.06006	17.6
285.04050	2.6
285.07541	4.7
287.05508	38.0
289.07083	17.7
291.08795	13.1
294.05219	20.8
295.05981	51.4
296.06494	4.9
297.07507	8.8
299.05545	8.8
301.07019	11.6
303.08682	2.6
307.06021	54.6
307.09531	3.7
308.06708	14.2
309.04053	3.2
309.07440	18.5
313.07407	10.4
319.06058	7.4
321.07605	27.8
322.08456	8.3
323.05441	2.5
323.08942	5.0
325.07059	58.0
331.09616	4.3
333.07370	10.1
334.08469	4.3
335.08911	13.1
336.06259	2.9
337.07047	63.4
339.08423	2.6
343.09634	5.8
345.07300	4.6
347.09271	11.1
349.06982	27.6
349.10773	2.4
351.08664	22.1
355.08179	19.2
359.08911	10.0
361.06982	11.6
361.10919	3.1
363.08514	12.2
365.10297	6.3
367.08029	8.2
375.08624	29.6
377.10251	11.2
379.08136	47.7
381.09573	3.7
387.08401	15.0
389.10046	6.6
391.08170	14.4
393.09717	15.5
401.10297	4.2
403.08237	15.0
405.09665	43.2
405.14737	3.5
409.09183	43.4
411.10699	19.7
417.09814	4.5
421.09079	13.0
423.10721	59.7
427.10379	17.4
429.10156	7.8
435.10492	9.4
439.10220	19.0
441.11868	46.0
443.11053	3.3
445.09094	2.3
447.10684	12.6
453.11462	2.4
457.11313	32.3
459.12460	11.9
465.11618	10.6
471.10193	5.1
475.12479	14.7
481.11340	18.6
483.12714	9.6
489.11685	10.2
495.12628	7.6
499.12387	11.0
507.12839	20.5
513.14008	5.2
525.13947	77.5
543.14984	49.5
561.15796	18.8
579.15887	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	579.171
Annotation	Swertisin 2''-O-arabinoside
Peak:m/z	Relative Intensity
57.95237	2.2
58.23458	2.2
60.05348	2.3
61.38096	2.3
67.05534	2.6
69.03082	3.2
69.03432	34.6
69.18832	23.5
71.04999	5.0
81.03432	4.3
83.91359	2.7
85.02914	15.3
107.04985	2.8
109.02809	2.9
117.07018	2.9
118.91904	2.3
119.04945	7.3
121.02882	43.4
132.48100	2.7
133.63887	2.6
145.02838	5.9
149.07492	2.5
163.03914	3.0
165.01872	3.3
167.07089	17.4
173.06015	4.3
175.03935	4.0
177.01883	3.5
179.03435	4.7
181.04924	2.9
185.05936	2.4
188.12323	2.4
189.01866	9.2
191.03484	6.3
195.02733	3.4
201.05470	3.1
203.03407	13.6
205.04865	3.5
207.02939	7.1
215.03496	3.0
217.04974	4.5
219.02925	6.7
220.48386	2.5
221.04504	3.6
227.03471	3.0
229.04950	5.4
233.04488	3.1
241.04973	3.3
243.06447	3.9
245.04478	4.7
255.06152	2.7
257.04553	4.9
267.06561	2.8
268.07214	5.7
269.04385	3.6
271.06064	3.2
279.06537	4.6
281.08148	5.6
283.05988	26.2
284.06796	4.8
292.07486	3.2
293.08093	3.1
294.05188	23.0
295.06052	78.6
295.09366	4.5
296.06766	5.8
297.07596	14.0
305.07953	4.8
307.02631	4.7
307.05997	64.1
308.06720	23.1
309.03955	4.0
309.07547	25.7
313.07065	28.2
319.05966	6.2
320.06607	3.3
321.07632	32.4
322.08316	11.1
323.05594	3.8
323.09113	11.5
325.07053	79.3
326.06952	3.0
331.09485	4.3
333.07498	9.3
335.09036	17.1
336.06149	5.4
337.07053	100.0
339.08585	6.4
343.09451	4.9
345.07486	5.3
347.09140	15.6
348.09689	2.9
349.07053	31.6
350.07526	3.5
351.08725	26.8
355.08066	23.0
359.09094	7.5
361.07053	14.0
362.07663	3.9
363.08521	15.0
365.06293	3.7
365.10245	7.2
367.08017	14.8
373.10791	4.1
375.08630	31.7
377.10147	9.4
379.08160	53.1
387.08627	18.2
387.13177	4.0
391.08130	18.5
393.09714	26.4
397.09369	5.5
401.10477	4.8
403.08057	16.4
405.09708	38.8
409.09042	26.5
411.10934	18.3
415.10544	14.1
417.09796	5.0
419.11218	4.4
421.09180	15.7
423.10794	55.0
427.10141	6.0
429.10611	10.1
433.11331	21.4
439.10132	14.5
441.11835	56.4
447.10629	12.4
457.11197	43.4
459.12952	18.3
465.11783	15.6
471.10638	7.8
475.12445	12.3
481.11267	17.6
483.12796	21.4
489.11740	10.2
495.12796	18.8
499.12283	9.3
507.12866	19.0
513.13690	15.0
525.13947	85.6
543.15021	58.4
561.15906	27.1
579.18280	10.3
597.49780	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	579.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13245	0.7
53.03944	1.1
53.07956	0.6
55.01878	0.9
56.96562	1.7
63.65699	0.6
65.03936	0.7
65.81843	0.6
68.99790	3.5
69.03435	0.7
69.27906	6.0
79.05460	0.6
81.03422	2.9
85.02900	0.8
89.03910	0.8
91.05486	2.1
93.03395	0.7
95.04958	1.5
98.97604	2.0
99.04440	0.8
103.05486	0.7
105.03353	1.0
107.04960	2.6
109.02900	3.6
110.97472	0.7
111.00839	1.9
111.04436	1.8
118.94745	1.1
119.04947	3.5
121.02897	1.2
123.03726	0.7
123.04440	31.7
127.03928	100.0
131.04915	1.8
135.04419	28.4
137.02370	2.3
139.03914	42.6
141.07042	0.7
144.96295	0.9
147.04422	14.7
148.04756	1.1
149.02364	2.5
149.05995	2.6
151.03917	7.0
155.04947	1.0
156.67140	0.7
159.04416	3.1
161.05930	3.2
163.03918	32.4
165.05521	4.4
167.03412	8.8
169.06552	1.6
173.05936	3.2
175.03935	3.7
175.07420	0.8
177.05479	2.7
179.03452	2.6
179.06981	0.7
185.05986	1.6
187.03896	6.1
189.05560	2.2
191.03418	9.6
193.04936	2.2
197.05891	3.1
201.05469	5.4
203.03407	7.3
203.07079	1.9
205.05008	2.7
207.06635	1.2
208.96056	0.8
213.05571	1.8
215.03603	0.7
215.07039	3.1
217.05034	1.5
219.01637	0.7
225.05562	1.1
229.04964	6.5
231.06618	1.5
233.04480	5.2
243.06516	4.3
245.04477	5.2
247.06049	13.2
253.05099	1.2
254.96654	1.9
255.06683	0.9
257.04489	8.9
259.06012	8.3
269.04388	1.9
271.06030	17.3
272.97690	2.2
275.05502	15.8
283.05954	5.5
287.05524	17.9
289.07071	13.8
291.08652	11.7
296.97836	1.1
297.07468	0.8
299.05496	3.6
301.07095	12.0
303.08694	2.1
391.07907	0.8
399.00925	1.6
409.03845	1.1
409.09232	21.7
411.10767	2.9
417.02063	2.0
427.10263	8.4
505.15204	0.8
554.98401	0.7
579.07367	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	579.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.0
69.03441	14.3
70.97775	3.2
81.03449	1.5
85.02907	4.0
91.05492	1.8
107.04963	1.9
109.02903	2.7
111.04449	2.7
119.04946	6.8
121.02877	31.3
123.04491	2.2
135.04414	1.4
139.03848	1.6
145.02841	4.2
145.06450	3.0
161.02318	1.7
161.06076	2.3
163.03964	4.6
167.07053	17.9
173.06035	2.2
177.01839	3.9
179.03435	3.2
181.04984	4.5
187.03951	2.2
189.01833	10.3
191.03357	4.0
195.02943	3.6
201.05450	2.5
203.03423	10.1
205.04953	1.8
207.02892	5.8
213.05495	2.4
215.03397	3.2
217.04936	2.8
219.02924	5.6
229.04991	3.7
233.04419	3.1
239.03471	3.4
241.05063	1.6
257.04440	3.3
267.06644	1.8
268.07312	3.6
271.06076	1.7
279.06537	5.7
280.07184	1.8
281.08221	4.7
283.06076	6.7
285.04028	3.7
291.06482	2.5
293.08051	3.5
294.05264	19.1
294.08374	2.7
295.06036	56.9
295.09369	3.6
296.06897	8.1
297.07568	8.9
307.06021	39.5
307.09598	3.4
308.06790	15.8
309.07480	14.1
313.06985	5.0
319.05957	5.7
319.09534	2.6
320.06802	2.0
321.07635	27.2
322.08377	11.3
323.05576	2.2
323.09119	5.8
325.07074	100.0
329.08069	2.0
331.09821	3.4
333.07581	7.5
334.08575	1.9
335.05606	2.9
335.09164	8.4
336.06268	3.6
337.07062	54.7
339.08618	3.6
347.09274	11.6
349.07053	28.3
351.08643	26.5
355.08087	17.0
357.07321	2.1
361.07071	10.0
363.08575	6.0
365.10330	11.5
367.08087	4.1
373.06989	3.9
375.08661	25.8
377.10272	2.7
379.08109	45.6
381.09320	2.0
385.07239	3.1
387.08597	2.5
387.13928	2.5
389.10382	2.5
391.08215	16.8
393.09677	27.5
393.14639	2.2
403.08118	26.3
405.09509	7.1
409.09259	27.2
411.10800	32.0
415.11789	1.5
417.09659	2.1
417.15497	1.9
419.11478	3.2
421.09158	18.1
423.10617	3.6
424.47604	1.6
425.10971	2.0
429.11829	7.4
439.10159	20.9
441.11880	20.8
443.11255	1.6
445.09119	3.2
447.10916	10.2
457.11322	59.6
459.12900	23.6
465.11884	23.1
471.10794	4.4
477.11929	3.0
483.12900	29.0
489.12015	9.9
495.12936	24.7
507.12857	25.0
513.13873	18.5
525.14020	27.9
543.14972	35.5
561.16089	20.6
579.20746	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	579.15
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
51.02390	1.0
55.01874	2.3
65.03928	1.1
67.01848	1.1
67.05502	1.3
68.99789	5.8
69.81434	4.0
81.03420	2.6
83.04958	1.1
89.03901	1.0
91.05508	1.0
93.03435	1.1
95.04974	2.4
99.04464	1.0
105.03389	1.7
107.04984	2.6
109.02882	3.3
111.00793	2.3
111.04432	2.7
111.47389	0.8
119.04931	2.1
121.02858	1.7
123.04432	66.1
127.03921	100.0
131.04927	2.0
135.04413	30.8
136.68602	0.8
137.02338	5.1
137.06032	0.9
139.03906	69.6
139.95694	0.9
143.04915	1.0
147.04419	10.9
149.02330	4.2
149.05986	2.4
151.03905	12.9
159.04410	4.1
161.05991	5.7
163.03908	43.9
165.05502	8.3
167.03391	9.2
169.06467	1.9
173.05980	3.8
175.03920	4.3
177.05505	5.2
179.03397	5.3
181.06401	1.0
183.04459	1.4
185.05994	1.5
187.03857	6.0
189.05428	4.1
189.37927	0.8
191.03383	16.2
193.04985	4.0
197.06015	3.2
201.05492	8.8
203.03380	12.6
203.07127	2.3
205.04948	3.3
207.06511	1.1
211.04074	1.2
211.07861	0.8
213.05510	2.3
215.03424	1.9
215.07031	3.1
217.04942	2.1
225.05428	1.9
227.06926	0.8
229.04942	9.3
231.06531	3.1
233.04411	7.7
241.04991	2.0
243.06522	4.5
245.04443	9.8
247.06021	24.4
251.05426	2.1
253.05022	1.4
255.06549	2.7
257.04477	13.3
259.06046	15.9
259.08755	1.0
265.04895	1.0
269.04440	4.1
271.06012	21.7
275.05530	19.2
283.06030	9.9
287.05490	28.9
289.07089	18.4
291.08603	15.1
299.05618	4.6
301.07080	20.4
303.08728	3.0
315.08569	1.1
391.07990	1.7
393.09735	1.2
398.12857	0.9
409.09174	33.7
411.10733	2.6
421.09290	1.9
427.10281	12.7
435.10751	1.8
439.10260	2.1
453.11496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1504
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
53.03943	0.9
55.01870	1.6
63.02407	0.4
67.05469	0.6
68.00958	0.4
68.99797	4.0
69.66725	1.5
69.67128	0.9
77.03905	0.9
81.03415	2.8
88.11055	0.4
93.03407	0.7
95.04985	1.2
99.04449	1.1
99.62848	0.4
103.05506	0.7
105.03425	0.6
107.04984	2.9
109.02908	3.3
111.00799	1.5
111.04455	1.8
117.03391	0.9
119.04955	1.6
121.02881	1.7
123.04446	33.1
127.03932	100.0
131.04935	1.6
132.08829	0.5
135.04436	26.9
137.02333	2.5
139.03918	39.6
141.07001	0.7
143.04964	0.6
145.06508	1.0
147.04439	4.7
149.02356	4.9
149.05981	1.7
151.03928	6.2
155.04878	0.8
157.06517	0.7
159.04427	2.9
161.06023	3.2
163.03931	31.5
165.01936	0.5
165.05499	4.6
167.03442	7.6
169.06522	1.9
173.06017	2.3
175.03946	3.4
177.05466	3.9
177.77466	0.4
179.03386	1.9
181.06541	0.6
183.04434	0.9
185.05998	1.5
187.03925	5.5
187.05342	0.6
187.07559	0.6
189.05495	1.6
191.03413	9.0
193.04959	2.5
197.06017	3.4
199.03865	0.4
201.05518	4.9
203.03424	7.0
203.07056	1.4
205.04974	2.5
207.06505	0.8
213.05496	0.9
215.03485	1.5
215.07062	1.9
217.04979	1.4
225.05507	1.3
227.07063	0.6
229.04965	5.5
231.06630	1.4
233.04469	4.8
241.05095	1.1
243.06548	4.2
245.04527	5.2
247.06053	12.5
247.08479	0.9
251.05617	1.4
253.04988	1.1
255.06607	1.2
257.04486	6.0
258.05338	0.8
259.06027	7.8
269.04471	1.9
271.03070	1.0
271.06039	16.9
273.07651	1.3
275.05536	13.6
283.06036	5.3
285.07666	0.5
287.05515	17.6
289.07101	13.9
291.08670	10.9
299.05600	2.6
301.07111	9.8
303.08676	1.4
321.66620	0.5
409.09216	20.8
411.10803	1.6
421.09216	1.0
427.10345	5.8
435.10834	0.7
454.42520	0.5
579.14771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1503
Annotation	ent-Epicatechin-(4alpha->8)-catechin
Peak:m/z	Relative Intensity
51.02374	1.3
55.01865	1.6
65.03923	1.4
68.99799	4.7
69.03419	2.4
70.65100	1.8
71.04987	1.0
79.05495	1.2
81.03421	2.8
85.02890	2.7
89.03915	1.2
91.05507	2.0
93.03394	1.1
95.04976	3.0
99.04440	1.3
105.03363	1.7
107.04953	3.6
109.02869	3.1
111.00835	2.5
111.04449	3.6
113.02261	0.7
115.92612	0.8
119.04948	6.1
121.02868	4.3
121.92619	0.7
123.04436	91.2
123.65217	0.9
127.03925	100.0
131.04892	1.8
132.39761	0.7
135.03568	0.7
135.04428	31.5
137.02361	3.7
139.03909	32.5
143.04959	1.4
145.06526	1.8
147.03375	1.5
147.04417	15.0
149.02367	3.3
149.05992	1.6
151.03896	5.6
155.04948	1.0
157.06485	1.0
159.04440	3.8
159.07938	1.1
159.68701	0.9
161.06012	5.2
163.03918	43.8
165.05481	8.2
167.03395	7.0
167.07033	2.3
169.06497	1.2
173.05991	2.1
175.03952	3.8
175.07509	0.9
177.05457	4.0
179.03375	5.8
179.07114	1.5
181.04941	2.7
183.04526	1.2
185.05948	1.2
187.03886	6.8
187.07448	1.3
189.05469	4.8
191.03435	9.0
193.04942	5.8
197.05981	3.4
201.05499	6.7
203.03419	11.8
203.07045	2.0
205.04948	1.8
207.06577	3.0
213.05473	3.3
215.03517	2.0
215.07060	3.7
217.04945	3.2
219.06528	0.9
225.05466	1.9
227.07159	1.0
229.04971	7.9
231.03079	1.0
231.06462	2.6
233.04498	2.9
241.05028	2.6
243.06541	5.4
245.04486	12.9
247.06007	17.1
253.04933	2.2
255.06596	1.8
257.04471	16.5
258.05225	2.3
259.05981	5.4
269.04489	2.5
271.06052	20.9
273.07535	2.4
275.05548	13.6
283.05957	6.2
285.07666	2.3
287.05521	35.3
289.07114	14.2
291.08649	13.5
294.05151	1.4
295.05899	4.3
297.07300	1.0
299.05460	8.0
301.07111	8.4
303.08676	3.8
307.06000	3.6
308.06787	1.3
309.07431	1.1
313.07040	2.3
321.07608	1.6
325.06998	4.5
333.09848	1.0
334.07999	1.1
335.09265	1.2
337.07059	6.5
351.08698	2.3
355.08121	1.3
367.08362	0.9
375.08667	1.1
377.10141	1.2
379.08179	3.1
380.55295	0.9
387.08441	1.4
391.08020	2.5
393.09561	1.4
405.09592	2.0
409.03751	1.7
409.09192	34.7
411.10803	5.8
421.09256	3.4
423.10870	4.0
427.10352	11.1
435.10706	5.6
439.10287	7.8
441.11856	5.0
451.10672	0.9
453.11938	1.9
457.11130	2.6
459.11838	1.8
463.10687	0.9
473.41861	0.8
481.11267	1.5
507.12817	1.6
525.14099	4.8
543.14691	3.6
561.15442	1.6
579.15283	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01872	3.2
55.05516	12.2
57.03450	8.4
57.07086	1.8
65.03912	1.6
67.05510	40.0
69.07073	11.3
71.04991	2.4
79.05505	30.0
81.07062	37.6
82.07357	1.3
83.04998	3.5
83.08646	9.5
85.06564	2.6
91.05495	13.9
93.07052	44.7
95.04984	5.2
95.08620	41.6
95.15968	1.4
97.06518	3.0
97.10152	2.5
98.20754	4.4
99.04474	2.3
99.08098	2.4
105.07029	10.0
106.25574	1.5
107.04952	6.1
107.08607	26.5
109.06514	2.6
109.10197	11.0
109.11697	1.6
111.08125	2.0
117.07040	8.0
119.08605	11.1
121.06533	2.2
121.10162	15.5
123.11663	1.9
125.05999	1.6
131.08600	7.2
133.10129	6.6
135.08051	2.5
135.11708	31.8
145.10146	18.2
147.11746	3.2
149.13266	2.7
159.11722	3.3
161.13208	1.9
163.11200	33.8
163.14807	1.6
173.13211	2.1
181.12329	6.9
201.31017	1.6
221.32149	1.4
227.12801	47.8
261.22171	5.7
269.52420	1.5
283.15427	34.8
308.81354	1.3
335.25830	100.0
528.37518	6.2
543.36841	54.4
544.37219	1.8
546.38391	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90279	0.7
52.36043	0.8
53.03938	0.9
55.01869	1.8
57.03436	0.8
58.75543	0.8
64.00954	0.8
65.03937	0.9
67.01844	1.1
67.05492	2.0
68.99790	5.3
69.03434	1.0
70.03779	1.5
70.04151	1.8
79.05486	2.0
81.03446	4.2
85.02899	3.0
88.03997	1.2
91.05473	2.0
93.03390	2.6
95.04956	1.8
97.02895	3.1
99.04467	1.6
103.05449	1.9
107.04962	7.3
109.02922	4.2
111.00805	1.8
111.04439	3.1
115.05441	1.3
117.07012	1.1
119.04946	3.7
119.28796	0.9
121.02905	6.2
123.04436	46.0
127.03924	100.0
129.28973	0.8
131.04910	2.5
133.06477	1.4
135.04425	31.2
137.02365	4.2
137.05974	1.0
139.03906	44.7
139.25023	0.8
141.01868	0.9
143.04945	1.2
145.06508	2.0
147.04422	11.1
149.02399	4.1
149.06026	2.0
151.03889	7.9
155.06148	1.1
157.06410	1.4
159.04419	3.8
161.02373	1.2
161.05949	3.9
163.03912	35.1
165.01845	2.8
165.05504	5.2
167.03410	7.3
167.07021	8.7
169.06491	1.6
173.06033	5.9
175.00307	1.2
175.03908	5.1
175.07562	1.0
177.01817	3.1
177.05487	6.2
179.03426	3.7
181.04942	2.8
181.06410	1.3
183.04442	0.9
185.05951	1.5
187.03903	5.9
189.01825	4.0
189.05473	3.4
191.03392	13.0
193.04942	4.4
195.02861	3.7
195.04501	0.9
197.05986	3.0
201.01778	1.0
201.05455	9.5
203.03430	11.5
203.07045	1.9
205.01288	1.5
205.04961	3.5
207.02904	6.1
207.06458	1.5
213.05412	1.3
215.03342	4.5
215.07059	3.5
217.04965	2.8
219.02910	15.2
221.04410	1.6
222.04907	1.0
223.02394	1.7
225.05537	1.8
226.39423	1.0
227.03448	1.8
229.04996	11.0
231.02893	9.5
231.06502	2.2
233.04469	10.2
234.04843	1.4
241.04993	2.1
243.02882	5.8
243.06535	6.3
245.04489	7.1
247.06013	15.6
249.03882	2.5
251.05527	0.9
253.05051	1.4
255.03024	1.6
255.06549	1.8
257.04474	12.8
258.05096	1.6
259.02524	1.7
259.05984	6.8
261.03937	15.5
269.04446	2.9
271.06033	17.6
273.03937	5.0
273.07285	1.5
275.05484	16.7
281.04373	0.9
283.06110	5.4
283.08649	0.9
285.03976	10.9
287.05545	19.9
289.07092	13.3
291.05081	3.4
291.08588	17.0
297.03784	2.5
297.07486	2.5
299.05542	5.8
301.07056	12.6
303.04956	5.1
303.08240	1.9
309.07724	1.7
311.05545	1.3
315.05011	1.8
321.06305	1.7
325.07117	1.1
327.04962	9.9
327.08572	2.7
339.08606	4.2
345.05988	2.7
351.08643	3.2
357.06158	1.4
363.07153	7.8
377.08902	1.0
381.09625	5.7
387.07498	1.7
387.14114	1.9
393.09460	5.0
405.08792	5.0
409.09195	23.2
411.10950	5.3
417.09769	1.6
423.10141	4.1
427.10345	8.1
429.11957	5.6
435.10468	1.2
439.10242	2.3
441.10538	7.9
447.10773	4.2
453.12155	1.6
459.12854	8.1
465.11646	1.6
483.13239	5.5
495.12753	3.8
507.12927	1.9
525.14178	2.6
543.15314	3.8
561.17542	3.8
579.20905	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	577.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.0
55.01673	1.7
55.01876	18.9
55.05513	42.2
57.03438	13.5
59.04997	2.3
65.03930	5.6
67.05509	87.3
69.03426	7.1
69.07075	30.3
69.55377	1.6
71.05000	9.3
71.54620	2.4
79.05498	71.4
80.87729	1.8
81.02929	2.2
81.03422	63.4
81.07063	100.0
83.04990	17.1
83.08622	29.7
85.02907	21.5
85.06526	4.2
91.05483	67.2
93.06483	3.6
93.07052	54.4
95.04962	31.5
95.08612	42.9
97.02876	4.5
97.06533	23.3
97.10163	17.2
99.08083	4.2
103.05475	2.6
105.04509	2.1
105.07036	63.9
106.07420	1.9
107.02467	1.7
107.04959	19.1
107.08605	38.1
109.06512	18.2
109.10155	27.1
111.04424	2.9
111.08113	12.6
113.06018	3.5
115.05444	4.2
117.07012	16.2
119.08586	52.0
121.06493	5.6
121.09332	2.7
121.10153	29.0
123.04421	2.7
123.08110	11.1
123.11732	9.5
125.09628	10.9
128.06209	3.3
129.07007	18.3
131.08575	29.7
133.06490	4.0
133.10143	33.2
135.08063	9.2
135.11674	8.0
137.09607	8.8
139.11174	2.8
142.07790	2.9
143.08612	4.4
145.06480	3.2
145.10118	21.0
147.04402	2.4
147.08066	5.9
147.11702	39.1
149.09633	23.7
149.13252	6.1
151.11180	3.2
153.09167	2.0
155.08560	4.2
157.10141	20.1
159.11714	12.9
161.09653	2.5
161.13223	3.4
163.11189	12.1
163.14819	2.1
165.12778	7.3
169.10112	4.9
171.11656	6.5
173.09682	3.2
173.11765	3.9
173.13257	6.3
175.11194	20.7
175.14912	2.7
177.12756	4.1
179.14333	2.5
183.11661	5.9
187.11087	3.6
189.11179	6.0
189.12741	2.0
193.12248	41.0
197.13234	2.3
199.14931	2.3
201.12639	2.2
203.12622	2.1
211.11327	3.8
211.13281	58.1
211.15240	3.7
215.17841	2.5
227.12776	11.6
229.14279	3.0
229.19420	5.3
239.17943	5.7
241.14322	2.8
247.20552	2.9
257.18967	9.3
267.15878	29.9
275.20071	83.0
285.16956	29.1
291.19363	1.9
293.21216	10.9
300.92548	2.0
331.22556	3.3
340.19247	1.8
349.23761	36.5
367.24576	8.8
404.27258	2.1
431.29547	2.0
449.30209	4.0
449.81955	2.4
467.31479	6.1
485.32523	4.4
503.33401	2.3
523.33936	3.3
534.22937	2.2
541.35303	24.0
559.36383	50.7
560.36377	2.2
577.37439	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	577.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	2.0
52.11141	2.0
53.03945	7.5
53.95766	1.9
55.01867	6.2
55.05268	2.8
55.05512	39.8
57.03441	13.5
57.07065	5.0
59.04996	3.0
60.74436	2.2
65.03933	6.8
67.05505	92.2
69.03413	3.2
69.07069	32.0
70.09232	7.6
70.97195	2.0
71.04993	16.9
71.08612	2.5
72.63665	1.9
73.06528	2.2
79.05009	2.6
79.05490	64.2
81.03425	23.6
81.07056	100.0
83.04977	8.5
83.08617	17.7
85.06528	9.7
91.05487	53.9
93.07041	72.8
95.04980	14.2
95.08610	68.8
97.06514	12.4
97.10164	17.1
98.20837	3.8
99.08099	3.3
105.04470	2.6
105.07034	55.9
107.04967	5.5
107.08603	36.1
109.06513	7.1
109.10151	33.3
111.08086	5.1
115.05468	2.9
115.27334	2.3
117.07014	20.0
119.08588	46.0
121.06427	4.6
121.10153	36.1
123.08064	5.8
123.11709	13.1
125.09646	14.4
128.06218	2.1
129.07007	15.4
131.08565	38.8
133.10123	30.1
135.08083	4.6
135.11723	13.9
137.09608	4.0
137.13239	4.1
139.11186	2.3
141.06969	4.0
143.08565	13.5
145.06448	2.4
145.10132	31.8
147.11707	25.2
149.09592	6.4
149.13254	8.7
151.11174	1.9
153.12767	2.0
155.08536	7.1
157.10118	17.7
159.11687	23.8
161.09676	2.2
161.13251	13.3
163.11127	4.4
163.14815	2.5
165.12775	2.8
167.08588	2.5
169.10110	10.4
171.10419	2.5
171.11612	10.5
173.09749	2.5
173.13205	12.5
175.11159	6.0
175.14882	6.6
177.12804	2.6
181.10185	5.1
183.11752	6.9
185.13229	10.1
187.14836	7.2
189.11226	8.3
189.12758	2.9
189.16394	2.8
192.06935	2.0
193.10388	2.6
193.12190	10.2
195.11714	3.4
195.13757	2.2
197.13324	5.1
199.13249	3.3
199.14844	10.8
201.14742	3.3
201.16451	3.0
209.13293	5.1
211.14879	2.9
213.16449	4.0
221.13452	2.5
227.12756	13.3
233.15308	3.3
235.14702	2.1
239.16273	2.9
240.25845	2.1
241.19681	2.8
247.16821	2.5
251.18045	3.0
259.20605	3.0
261.22052	10.6
267.15851	26.4
285.22095	5.8
287.23685	3.3
289.21658	3.7
291.19656	3.0
299.23785	3.6
301.20206	1.9
301.22006	3.1
301.25143	13.9
303.23132	4.2
315.23380	2.5
327.23022	3.7
335.22675	2.4
335.25888	24.3
359.25659	4.3
363.25327	7.3
417.31506	4.5
421.25705	2.2
431.28107	2.2
435.27371	3.7
435.32556	17.2
453.33624	16.6
471.34555	8.2
509.36182	7.8
519.36377	3.1
527.37360	82.3
545.38330	67.1
559.40179	12.6
577.41028	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	577.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.7
53.03944	10.3
54.23940	2.0
55.01640	1.7
55.01876	23.0
55.05514	47.5
57.03439	16.3
57.07076	3.9
58.24536	2.0
62.46829	1.8
63.52747	1.5
63.67616	1.8
63.85382	1.5
65.03934	6.1
66.99077	1.7
67.05508	80.0
69.03407	6.8
69.06728	2.6
69.07071	38.0
70.04370	6.4
71.04982	7.7
76.07870	1.8
79.05499	81.1
81.03424	55.5
81.03912	2.4
81.07061	89.7
83.04994	24.1
83.08624	34.5
83.42999	1.7
85.02910	16.4
85.06525	7.9
86.75166	1.8
91.05489	83.4
93.06483	3.6
93.07053	63.3
93.72187	1.7
95.04974	39.0
95.08612	47.0
97.02884	3.1
97.06538	31.9
97.10168	18.2
98.21453	2.7
98.95947	2.3
99.08076	4.2
103.05453	4.3
105.04511	2.6
105.07041	78.5
107.04974	29.3
107.08603	49.9
107.81357	1.6
108.07410	1.7
109.06539	10.5
109.10165	23.0
111.08086	14.3
113.06030	3.3
115.05457	5.7
116.06194	2.4
117.07015	18.7
119.08585	52.8
121.06486	8.3
121.10149	26.8
123.08085	12.5
123.11696	6.7
125.09642	14.8
127.07533	1.9
128.06238	3.5
129.07024	19.5
131.08585	35.3
133.06496	5.7
133.10141	41.4
135.08055	9.8
135.11678	13.9
137.09615	9.5
142.07787	4.7
143.08540	9.2
145.06444	2.8
145.10115	25.2
147.08066	7.4
147.11691	37.4
149.09619	37.0
149.13245	3.9
151.11198	6.9
155.08533	3.6
157.10133	25.6
159.08029	2.2
159.11668	18.5
161.09593	3.2
161.13226	8.7
163.11230	14.1
165.09053	2.2
165.12761	5.8
165.50044	1.8
169.10132	6.5
171.11700	6.8
173.09578	2.0
173.11868	2.8
173.13274	7.6
175.11229	19.6
177.12700	5.2
183.11649	4.6
185.13263	3.5
187.11237	3.9
187.14844	3.9
189.11179	7.3
189.12733	3.2
191.14323	3.1
193.12256	45.4
195.13795	3.0
197.13298	3.4
205.12369	2.0
207.13608	1.9
211.13277	60.7
214.27411	2.1
227.12776	26.7
229.14261	2.5
229.19479	3.1
239.17920	5.1
245.13712	2.0
247.20592	2.9
257.19019	14.2
267.15936	25.5
269.17474	3.1
273.18552	2.4
275.20068	100.0
285.14014	3.5
285.16977	41.2
291.19754	3.0
293.21262	12.4
315.23160	2.6
331.22546	3.3
349.23724	63.3
367.24890	4.6
381.22714	3.4
431.28998	3.8
449.30646	4.2
455.26822	2.1
463.30750	2.7
467.31421	6.7
473.29880	2.0
479.29803	5.2
541.35437	28.7
559.36340	60.3
577.37396	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	577.1555
Annotation	Maysin
Peak:m/z	Relative Intensity
57.03424	2.4
57.94407	1.1
65.03952	1.3
70.88940	3.0
85.02908	5.9
91.05479	1.5
97.02843	1.4
103.64381	1.2
107.04977	2.4
109.02854	3.2
110.74022	1.1
110.98352	1.0
119.04964	8.2
121.02871	29.4
135.04375	1.4
140.81548	1.2
144.08099	1.6
145.02858	2.8
147.04413	1.4
151.03915	1.6
153.01826	1.2
159.04399	1.3
161.02502	1.3
161.05952	1.3
163.03889	1.4
165.01839	1.7
175.03915	2.9
177.01784	5.0
179.03404	3.8
189.01860	11.1
190.02435	1.3
191.03345	3.7
195.02885	5.6
199.03951	2.9
201.01776	1.7
203.03351	14.4
204.80643	1.2
207.02893	7.1
215.03438	2.0
217.04971	6.2
217.08643	1.1
217.11061	1.4
219.02852	2.0
221.04427	3.2
227.03348	2.9
229.05026	3.8
231.02937	1.7
233.04405	2.3
234.81149	1.2
235.05977	1.5
241.04843	1.7
243.02812	2.1
245.04384	2.0
255.02844	5.7
255.06354	1.1
257.04770	1.3
266.05707	1.5
267.06595	2.3
268.07251	5.6
273.03995	1.7
279.06589	5.0
280.07449	2.2
281.07968	2.2
283.05963	19.6
293.08139	3.3
294.05206	11.1
295.06012	100.0
296.06744	8.3
297.07568	21.3
305.08139	1.7
307.06000	63.9
307.09531	3.1
308.06732	10.8
309.04086	2.8
309.07516	18.2
312.06271	5.0
313.07132	3.6
317.08173	1.6
319.05960	6.9
320.06808	3.7
321.07578	38.0
322.04874	1.5
322.08459	6.2
323.05429	6.2
323.09116	4.8
324.06262	3.9
325.07068	68.4
326.07797	4.8
326.91449	1.4
333.07629	8.9
334.04630	2.5
335.05414	6.0
335.09116	23.8
336.06165	6.8
337.07031	38.8
339.08755	2.3
345.07602	5.1
346.08496	2.1
347.05258	3.0
347.09143	9.7
349.07080	32.3
350.07837	4.9
351.04932	1.8
351.08652	13.9
353.06467	8.9
355.08215	2.9
360.06293	1.4
361.07071	15.1
363.08673	17.9
365.06528	5.5
365.10278	4.5
367.07999	3.2
373.07095	8.5
375.08524	7.9
377.06403	7.9
378.07260	3.4
379.08182	19.2
381.09662	2.8
385.07028	5.1
387.08640	2.7
389.10355	2.0
390.07211	1.7
391.08154	39.7
393.09583	3.9
395.07291	1.9
403.08075	13.2
407.07150	1.7
409.09198	45.8
415.09149	4.2
417.09525	2.8
419.07690	4.6
420.08179	1.6
421.09012	18.1
427.10361	22.1
429.09717	1.4
433.09280	2.0
435.10678	2.3
437.08578	3.2
438.09125	1.6
439.10345	25.3
445.09299	1.8
456.10568	1.9
457.11316	41.0
459.10419	1.9
463.10126	12.3
475.10339	8.4
481.11295	55.3
487.10162	4.1
493.11295	18.3
505.11365	18.0
511.12457	28.7
523.12415	25.6
541.13397	52.9
559.14471	28.6
574.76361	1.5
577.14740	2.9
579.59973	1.4
589.57123	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
54.80533	1.1
55.01873	2.3
55.05516	14.7
57.03439	6.0
57.07072	1.1
57.25544	1.0
65.03932	2.2
67.05507	37.0
69.03442	1.6
69.07074	12.5
71.04981	3.8
71.53157	1.0
73.02916	1.1
79.04785	1.0
79.05498	27.9
81.03419	22.4
81.07061	43.6
83.04985	7.8
83.08628	12.3
85.02898	7.9
85.06562	2.1
91.05481	27.7
91.06023	1.8
93.07049	32.9
95.04969	15.0
95.08612	14.0
97.02922	1.3
97.06523	5.8
97.10172	2.7
98.98474	3.0
99.08087	1.9
105.07037	17.6
107.04942	6.1
107.08600	20.7
109.06514	4.9
109.10176	4.3
111.04456	1.2
111.08096	7.0
111.51898	1.1
117.07030	5.0
119.08589	11.6
121.06466	2.3
121.10154	10.1
123.08070	2.2
123.11699	1.4
125.09639	1.9
129.06990	5.9
131.08595	10.3
133.10144	10.3
135.08095	1.6
135.11725	2.7
145.06509	1.7
145.10162	2.9
147.11708	8.1
149.09621	3.8
149.13258	10.6
155.01044	2.3
157.10104	5.6
159.08043	1.3
159.11723	4.5
165.12819	2.0
171.11684	1.5
175.11165	6.5
177.12756	3.1
189.11394	1.2
192.88017	1.3
193.12256	12.6
195.13795	4.1
211.13318	20.1
237.92134	1.3
267.15936	5.5
269.17514	6.4
275.19983	4.3
285.17023	3.1
349.13916	1.3
349.23651	2.0
371.67365	1.1
395.36066	1.1
461.28998	18.5
479.30048	100.0
541.34686	1.4
559.35901	4.6
577.36749	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	577.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15759	1.3
57.03439	2.9
60.33167	1.5
61.02924	1.6
61.80639	1.3
63.10327	1.3
65.03928	1.7
69.03407	1.8
69.22060	1.8
71.31467	1.3
71.52917	1.3
72.59795	1.5
73.02915	1.8
76.72765	1.3
81.03407	2.6
81.07052	1.6
83.04950	1.6
85.02902	7.0
91.05476	2.2
93.03409	2.3
95.08583	1.7
97.02895	2.2
103.03936	2.3
105.07036	1.5
107.04933	3.7
109.02913	1.9
111.04383	1.6
115.24806	1.4
119.04945	8.2
121.02866	28.8
123.04398	3.9
127.03919	2.9
135.04384	3.6
137.02325	1.7
139.03903	2.5
145.02856	4.7
147.04408	1.8
151.03838	1.6
153.01852	2.2
153.42204	1.4
156.50110	1.4
161.02319	1.5
163.03896	3.9
165.01883	2.4
175.04007	1.8
177.01802	4.5
179.03349	5.3
181.04959	1.5
189.01770	10.1
191.03366	4.9
195.02849	6.0
199.03841	1.5
203.03386	13.1
207.02849	8.9
215.03346	3.0
217.04985	3.8
219.02884	3.1
219.06523	1.8
221.04485	4.2
227.03314	1.7
229.04953	3.4
233.04367	2.5
245.04234	1.6
255.02922	2.0
257.04456	3.3
267.06622	2.8
268.07254	5.8
269.07822	1.9
273.04245	1.6
279.06540	4.6
280.07297	2.4
281.08038	3.3
283.06052	12.0
284.06766	4.0
287.05484	2.3
293.07968	4.9
294.05145	10.8
295.06018	80.4
296.06827	8.4
297.07535	16.7
305.08231	1.7
307.06015	58.2
307.09537	3.5
308.06821	16.3
309.04126	2.4
309.07495	18.3
313.07016	10.8
317.07742	2.9
319.06094	9.8
319.09457	2.5
320.06705	8.6
321.07581	38.6
322.08295	6.3
323.05478	5.6
323.09140	4.8
324.06079	2.0
325.07077	79.7
326.07770	3.2
332.06561	1.7
333.07629	6.9
334.08228	1.8
335.05325	5.3
335.09125	19.7
336.06363	6.6
336.09775	1.9
337.07068	51.4
337.10846	2.3
339.08664	9.1
345.07632	2.6
347.05408	3.3
347.09180	10.6
349.03104	2.5
349.07056	34.7
349.10547	1.5
350.07681	2.8
351.04858	1.8
351.08609	21.1
353.06577	9.6
353.10248	2.2
355.08243	3.4
361.06943	12.9
361.10522	1.8
363.08472	15.9
365.06503	8.3
365.10382	11.9
367.08136	7.2
373.07123	6.7
375.08652	16.5
377.06461	7.2
379.08179	23.5
383.11133	2.9
385.06815	3.4
391.08130	25.6
393.09677	20.0
395.07462	4.9
397.09238	3.8
401.10925	2.2
403.08038	13.2
407.07651	1.9
409.09177	26.7
411.10773	2.5
415.09164	2.6
417.09503	3.8
419.07144	2.8
421.03839	2.7
421.09195	44.5
427.10229	25.6
429.09497	2.3
433.08975	2.3
439.10251	100.0
445.09235	5.3
455.09567	2.1
457.11316	33.8
463.10159	8.2
475.10455	5.3
479.09702	2.1
481.11359	16.1
487.10123	4.2
493.11343	5.4
495.12567	4.9
497.10541	4.6
499.12360	2.4
505.11298	14.5
511.12064	5.1
513.13361	4.3
523.12396	30.6
541.13422	58.9
559.14404	44.3
577.14948	3.8
577.22833	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	575.6126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.05516	33.0
57.03444	1.5
57.07080	72.6
65.03956	1.5
67.05511	48.7
69.07071	75.6
69.52371	1.9
69.52775	6.7
71.04992	4.5
71.08636	56.2
72.08983	1.4
79.05493	9.0
81.07062	91.1
82.07378	2.8
83.08624	51.1
85.06547	2.2
85.10189	38.0
86.10435	1.1
87.04467	4.1
91.05480	4.2
93.07054	6.9
95.08611	100.0
96.08926	2.3
97.09547	2.2
97.10175	50.8
99.11732	5.2
105.07042	4.5
107.08582	3.9
109.10164	60.4
111.11727	35.4
111.12315	0.7
113.13296	3.3
119.08554	1.7
121.06519	1.3
121.10178	2.7
123.11714	25.8
125.13280	17.7
127.14811	1.7
128.29309	1.2
131.08609	1.3
133.10110	3.0
135.11739	1.6
137.13252	14.1
139.14812	5.1
141.16446	1.9
151.14845	6.9
153.16426	2.8
165.16443	6.7
175.89320	1.2
179.17982	4.7
181.19577	1.7
193.19516	2.0
197.22656	1.3
201.84912	1.3
207.21077	1.4
291.30591	1.1
296.94397	1.3
301.19952	2.6
302.20462	2.2
313.27298	3.2
314.27722	2.6
361.38287	3.7
481.38751	1.9
482.39227	17.1
540.43579	10.0
557.60284	18.6
575.41431	1.7
575.50439	14.5
575.60938	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	576.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	9.1
57.03449	14.5
57.07077	30.4
67.05505	16.3
69.07062	5.5
71.04969	3.0
71.08628	20.4
72.20686	2.4
79.05481	9.5
81.03419	57.9
81.07053	17.7
83.04979	5.2
83.08632	17.1
85.10201	12.9
87.04453	3.2
89.06016	4.5
91.05486	15.6
93.07036	7.7
95.04959	14.5
95.08591	17.3
97.10162	5.6
97.45382	2.1
100.42563	2.1
105.07015	13.0
107.04930	3.3
107.08618	4.6
109.06513	2.9
109.10152	8.9
111.08072	5.6
119.08607	11.5
121.10143	6.3
129.06955	3.0
131.08559	5.2
133.10135	3.2
135.11723	2.2
147.11682	8.1
157.10110	7.9
175.11223	5.0
193.12247	19.3
211.13336	2.7
267.15927	100.0
313.27383	83.2
334.22147	2.2
370.49997	2.2
389.60413	2.1
505.38895	71.1
576.26776	4.6
579.41736	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	577.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
65.03931	0.6
67.05515	0.5
68.99793	2.3
71.18094	0.7
79.01859	0.7
79.05487	0.4
91.05473	0.3
93.03389	0.5
95.04977	0.6
96.48736	0.3
97.02886	0.4
107.04977	0.7
110.22003	0.4
111.00816	1.7
111.04463	1.2
115.05564	0.4
119.04937	0.5
121.02891	4.5
123.04476	2.2
127.03928	1.0
135.04416	1.7
139.03926	30.5
145.02812	0.5
147.04425	1.3
151.03960	2.0
153.05476	0.8
155.03426	0.8
163.03929	100.0
164.04181	0.5
165.05539	0.6
167.59160	0.3
169.06517	0.4
171.04454	0.7
179.03256	0.4
181.05008	0.5
181.06514	0.7
185.05983	1.2
199.03989	2.5
199.07596	0.6
200.04752	0.5
203.03403	0.4
213.05533	4.5
215.06985	0.5
217.05043	0.9
222.67923	0.3
225.05492	0.7
227.03403	2.1
227.06961	0.5
229.05124	1.0
231.06682	0.8
237.05508	2.2
241.05011	5.4
243.06596	0.9
245.04488	5.0
246.05360	0.7
251.07143	0.9
253.04993	0.4
255.06609	1.1
257.04529	0.7
259.06064	10.8
261.05579	0.4
265.05017	2.9
266.05817	0.4
267.06519	0.5
269.04617	0.4
271.06000	3.6
279.06564	3.6
281.08224	0.9
283.05957	3.9
285.07556	0.4
287.05576	0.5
295.06042	1.2
297.07730	0.4
301.07120	1.5
307.06097	0.7
317.08096	0.6
321.07620	1.0
325.07135	0.9
345.07443	1.1
361.07037	0.4
363.08667	1.0
373.07141	0.8
379.07962	0.4
391.08221	11.7
409.09247	14.6
421.09064	1.0
425.32162	0.4
433.09442	1.8
439.10583	0.4
451.10214	0.5
457.11182	0.5
510.21552	0.3
511.12277	0.4
559.12531	3.1
577.14337	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15150	3.6
53.03947	6.6
55.01873	8.6
55.05516	53.7
57.03436	15.9
57.07078	8.3
58.59866	3.7
59.05005	3.9
62.63199	3.6
65.03960	6.2
67.05512	100.0
69.03419	4.9
69.07082	28.2
69.89973	16.0
71.05003	20.7
75.48189	3.5
79.05067	6.4
79.05502	75.7
81.03425	18.9
81.07062	80.4
81.88469	3.7
83.04983	9.9
83.08629	23.1
85.06546	6.6
91.05492	75.6
93.07054	75.8
95.04960	13.5
95.08611	70.0
97.06532	16.7
97.10185	27.5
99.08098	17.7
105.07034	53.6
107.04965	8.3
107.08607	34.9
109.06547	7.9
109.10163	37.1
111.08096	13.1
115.05489	6.2
117.07043	35.2
119.08591	52.6
121.06492	7.1
121.10177	40.8
123.08096	12.2
123.11736	4.8
125.09633	21.4
128.06194	5.6
129.06999	27.7
130.07813	3.9
131.08588	53.5
132.25380	4.2
133.10143	29.1
135.08087	12.4
135.11726	16.0
137.09659	5.4
139.11179	5.0
141.06992	9.6
142.07849	6.0
143.08571	30.1
145.06480	6.6
145.10170	36.3
147.08054	7.6
147.11694	15.4
149.09631	11.0
151.11279	4.7
155.08606	18.5
157.10170	24.8
159.08023	7.1
159.11748	29.3
161.09615	9.3
161.13295	6.7
163.11205	11.7
167.08560	6.5
169.10184	18.1
171.11667	23.8
173.09613	7.6
173.13206	21.0
175.11145	5.5
181.10146	10.9
183.11703	12.1
185.13248	14.2
187.11259	6.0
187.14749	8.1
189.11285	7.9
195.11719	11.8
197.13295	10.4
199.14917	8.6
201.12923	5.1
207.11627	7.1
209.13245	6.8
211.14876	5.9
217.15887	5.1
223.14934	5.5
225.16391	8.1
227.12799	18.2
235.16943	4.7
275.20123	5.8
286.26685	4.1
291.19632	6.4
299.23547	12.8
329.20782	4.7
361.23590	5.1
415.29938	5.8
421.25848	16.5
423.27469	4.6
433.30887	20.9
443.27530	5.8
451.32019	18.8
469.33057	12.9
507.34683	9.2
515.37817	4.2
517.35425	35.7
525.35828	75.5
539.33850	4.1
543.36859	90.4
557.38806	28.7
575.39679	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29897	3.4
53.03937	8.3
55.01892	15.3
55.05513	59.5
56.30487	2.7
57.03425	11.7
57.07078	5.8
65.03933	7.4
65.28237	3.0
67.05507	100.0
69.03447	7.5
69.06787	3.0
69.07074	34.9
71.04999	21.6
71.36634	5.8
71.36989	2.9
78.99143	2.9
79.05076	4.6
79.05501	80.5
81.03423	21.8
81.06588	5.7
81.07059	92.0
81.62035	3.1
83.04971	13.9
83.08621	33.6
85.02899	7.0
85.06532	8.3
91.05480	76.7
93.07043	93.3
95.04977	19.3
95.08607	68.9
97.06538	11.8
97.10173	28.0
99.08082	12.0
105.07027	64.2
107.04950	12.7
107.08600	50.8
109.06517	13.5
109.10164	35.6
111.08089	6.2
115.05440	5.0
117.07012	41.7
119.04944	4.4
119.08592	50.9
121.06508	9.4
121.10143	36.3
123.08112	15.3
123.11671	9.8
125.09654	20.7
128.06204	8.3
129.07018	27.2
131.08574	49.9
133.06525	5.5
133.10161	38.3
135.08040	12.7
135.11705	18.2
136.00612	3.0
137.09639	4.8
139.11177	2.9
141.07002	9.1
142.07762	7.7
143.08565	25.1
145.06532	4.7
145.10120	44.3
147.08032	6.1
147.11690	20.5
149.09637	13.3
149.13243	6.6
151.11215	7.3
153.07001	3.1
155.08493	18.2
157.10121	32.0
159.08141	7.6
159.11690	36.5
161.09622	8.0
161.13268	8.2
163.11185	5.3
165.12679	5.1
167.08525	10.7
167.10744	3.7
168.09276	3.2
169.10109	20.1
171.10374	5.3
171.11668	26.7
173.09608	7.4
173.13269	18.1
175.11211	7.8
175.14935	4.1
177.12685	3.5
179.08586	4.7
181.10112	14.4
182.52573	2.9
183.11679	21.0
185.13272	14.6
187.11128	4.3
187.14882	8.5
189.11226	8.3
189.12724	6.0
193.12288	11.4
195.11702	12.5
197.13271	12.1
199.14868	11.8
201.12770	4.0
207.11842	5.8
209.13228	8.7
211.13158	7.0
211.14861	8.9
217.15884	5.0
221.13319	5.8
227.12773	20.1
229.14296	3.6
247.16928	4.1
253.14372	4.1
257.19193	3.5
267.15897	9.4
271.20551	6.0
273.18542	10.1
283.20593	3.6
285.17023	3.2
285.22043	7.4
287.20090	5.7
291.19455	16.2
297.22180	3.0
299.20337	5.0
299.23370	14.7
301.21466	5.3
309.22226	3.9
343.22800	3.6
371.25943	4.1
415.29953	6.4
421.25778	7.9
423.27579	4.6
433.31168	22.5
443.28088	3.9
451.32123	24.6
469.33044	12.0
483.34750	5.2
489.33566	3.6
499.34076	6.6
507.34442	8.6
515.37244	3.9
517.35193	31.3
525.35760	81.5
539.36707	5.8
543.36865	87.2
557.38690	37.8
575.38635	56.2
575.49591	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	575.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	2.3
53.03944	6.3
53.46543	2.3
55.01867	8.7
55.05271	4.2
55.05519	51.0
57.03447	13.6
57.07081	4.3
59.05019	3.1
65.03952	4.2
67.05515	100.0
69.03441	10.4
69.07077	28.2
70.13613	10.2
71.05000	20.4
73.64597	2.1
78.08700	2.0
79.05505	77.5
81.03435	21.4
81.07067	98.6
83.04976	10.3
83.08630	26.1
85.02911	3.2
85.06554	8.3
91.05495	68.1
93.07059	68.9
95.04984	18.3
95.08619	56.6
97.06550	13.0
97.10181	22.9
99.08113	10.2
103.05437	3.1
105.04568	2.7
105.07042	67.6
107.04982	12.3
107.08614	48.6
109.06519	17.6
109.10180	31.1
111.08086	9.0
115.05435	5.5
116.06249	2.5
117.07021	35.8
119.08598	52.5
121.06506	12.1
121.10156	32.6
123.08094	14.3
123.11700	4.9
125.09641	23.9
128.06200	8.1
129.07024	29.8
130.07819	3.8
131.08592	52.1
133.06538	5.0
133.10159	31.2
135.08054	14.9
135.11714	15.2
137.09644	6.9
141.06998	9.5
142.07776	7.8
143.08600	26.7
145.06458	5.0
145.10130	45.6
147.08067	9.2
147.11726	23.0
149.09654	12.3
149.13263	7.1
151.07596	2.3
151.11176	4.4
153.12672	2.4
155.08548	17.5
156.09332	3.2
157.10158	31.9
159.08112	5.8
159.11716	23.6
161.09647	9.9
161.13304	8.2
163.11180	7.3
165.07030	2.7
167.08530	7.5
167.10779	3.3
168.09402	3.2
169.10147	17.6
171.11708	24.2
173.09631	8.1
173.13272	14.0
175.11209	9.8
175.14903	2.9
177.12755	5.6
181.10078	8.2
181.12234	2.8
183.11751	19.7
185.09703	3.5
185.13242	16.5
187.11203	6.8
187.13264	2.6
187.14856	8.0
189.11237	11.0
189.12791	3.8
189.16412	4.1
191.14365	2.4
193.12242	6.5
195.11707	14.6
197.13313	12.1
199.11172	5.1
199.13162	2.8
199.14848	9.7
201.12767	3.5
205.83043	2.2
207.11655	3.7
209.13310	8.1
211.11426	2.8
211.13139	3.9
211.14928	5.3
213.12775	3.5
213.16479	3.2
217.15958	3.7
219.11841	2.5
221.13268	4.6
223.14900	5.3
225.16447	3.5
227.12790	21.6
229.14172	2.8
233.15500	3.6
237.16383	2.8
241.19633	5.1
247.17130	2.6
253.14214	2.6
255.17467	3.3
257.19067	3.4
259.20578	9.3
267.15823	13.4
273.18481	10.1
275.20093	9.8
285.22202	3.4
287.20126	3.1
291.19592	13.6
297.18619	3.4
297.22223	4.3
299.14966	3.4
299.23465	11.8
301.21738	2.6
303.23407	2.7
313.21692	3.6
329.21259	2.8
333.24380	4.1
335.23877	3.9
339.23401	3.4
341.24585	3.7
347.22354	8.1
351.22824	2.3
353.24811	3.2
365.23605	7.1
403.25076	2.9
415.29791	7.2
421.25647	6.4
423.32486	2.9
431.28278	2.7
433.30893	21.8
443.28076	4.1
451.32269	15.6
469.33182	9.4
489.33636	2.4
499.34634	3.2
507.34647	9.0
517.35321	17.7
525.35809	75.1
539.33997	6.7
543.36865	70.9
557.37683	23.0
575.38568	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.6
55.01873	12.4
55.05514	39.3
57.03442	10.7
57.07074	3.2
59.05005	1.3
65.03929	3.2
65.27241	1.0
67.05507	57.5
69.03439	11.5
69.07074	34.7
71.04987	8.0
71.25345	1.2
79.05495	52.4
81.03421	38.9
81.07058	55.9
83.04974	14.0
83.08620	24.6
85.02898	16.0
85.06531	3.2
87.04464	2.0
91.05482	53.0
93.06485	2.5
93.07048	41.1
95.01356	1.3
95.04969	25.4
95.08606	26.7
97.02901	9.8
97.06535	12.3
97.10172	23.3
98.21561	1.8
99.08105	1.7
101.42584	1.1
103.05471	3.4
105.04581	1.9
105.07038	40.3
107.04958	17.0
107.08590	26.6
109.06516	10.3
109.10148	14.7
111.04462	4.3
111.08070	7.5
115.05455	5.1
117.07025	15.2
119.04955	2.2
119.08585	34.4
121.06519	9.3
121.10154	16.5
123.08080	10.3
123.11697	5.4
125.09635	18.6
128.06215	3.4
129.07004	16.7
130.07816	2.0
131.08580	24.1
133.06505	5.8
133.10136	18.0
135.08028	7.3
135.11699	4.7
137.09622	4.1
141.06985	3.7
142.07813	3.4
143.08603	7.6
145.06430	2.6
145.10115	14.9
147.08060	11.5
147.11700	15.8
149.09634	6.1
149.13260	3.9
151.11234	2.4
153.09142	3.3
155.08530	2.4
156.09299	1.4
157.10150	15.5
159.08054	2.8
159.11659	9.2
161.09663	5.4
161.13295	2.8
161.46239	1.5
163.11237	6.1
165.09222	3.1
165.12772	4.1
169.10139	3.4
171.11699	4.6
173.09613	2.3
173.13251	3.3
175.11226	9.6
177.12766	1.8
181.10173	2.4
183.11726	3.6
185.09665	1.5
185.13255	3.1
187.11244	2.6
187.13417	1.7
189.11259	10.1
189.12762	2.1
193.12260	27.4
195.11839	1.7
195.13802	2.5
199.11113	1.4
205.12265	3.3
211.13281	30.2
211.15265	1.5
219.13760	6.5
219.40942	1.2
223.13239	14.4
227.12770	15.0
227.17862	1.6
245.13887	1.8
245.19077	3.0
249.14896	4.4
255.17517	1.9
259.20615	2.1
263.20135	1.8
264.99258	1.3
267.15942	19.2
269.17422	2.3
270.17844	2.1
273.18527	25.7
275.20160	5.9
283.15356	2.3
285.17041	3.7
291.19547	100.0
313.21597	4.1
315.19803	2.4
331.22861	1.7
333.20547	1.7
333.24472	2.0
347.22098	5.5
360.07587	1.4
365.23318	8.5
389.23502	2.0
407.24661	1.3
437.25360	2.1
445.26096	2.9
447.28772	1.6
462.29309	3.6
465.30231	2.3
477.28622	5.1
483.31201	4.5
539.33643	4.8
543.36682	2.9
557.34735	41.2
568.17987	1.3
575.35773	93.5
575.50403	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	574.468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07528	0.8
53.03944	1.3
55.05263	1.0
55.05511	9.8
55.79040	0.7
57.03442	4.0
57.07080	29.4
59.44676	1.0
59.85300	0.8
65.03931	1.7
67.05508	37.4
67.46343	0.7
69.07074	9.9
70.81778	1.7
71.04604	0.9
71.05000	15.7
71.08638	22.6
72.08952	0.7
79.05499	8.6
81.07059	64.6
83.04983	1.3
83.08621	11.8
85.06557	6.8
85.10188	12.4
86.54480	0.8
87.04477	8.9
88.75419	0.7
89.06042	0.8
90.05499	0.7
91.05484	14.6
93.07047	10.1
94.07343	0.9
95.08608	21.7
97.06519	3.2
97.10149	5.0
99.08109	0.9
105.07041	6.4
107.08597	7.6
109.06532	1.2
109.10170	12.6
111.08108	1.1
111.11713	1.2
117.07038	1.8
119.08583	1.0
119.31998	0.8
121.06465	1.0
121.10181	1.9
123.08087	1.2
123.11711	10.2
131.08585	0.9
133.10136	10.2
135.11684	2.5
137.13271	1.8
149.13258	3.1
151.11194	5.7
159.11697	2.4
169.12181	1.0
177.12714	1.7
183.13843	2.0
187.13290	3.5
195.13786	1.9
201.14926	1.4
201.49512	0.7
216.88858	0.8
230.92311	0.8
239.23685	2.9
240.63611	0.7
257.17459	2.3
269.17502	5.1
283.26328	2.6
301.20108	21.0
306.37784	0.8
313.27368	28.1
393.82593	0.8
406.77942	0.8
481.38901	100.0
495.40521	4.3
507.40454	5.5
539.43103	54.6
539.50140	0.9
557.98853	1.0
574.40662	1.1
574.49207	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	573.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.1
55.01877	4.1
55.05512	6.9
57.03445	6.5
65.03571	0.6
65.03931	1.4
67.05177	1.1
67.05506	10.7
69.03433	1.8
69.07064	3.6
71.04984	2.3
71.53329	0.9
75.59892	0.6
79.05499	12.3
80.12569	0.6
81.03423	52.1
81.07059	14.4
83.05001	3.0
83.08618	7.6
85.02905	18.4
85.03296	0.4
85.06543	1.5
91.05486	15.1
93.07045	7.9
95.01340	2.2
95.04965	9.1
95.08613	6.8
96.02631	0.6
97.02878	1.4
97.06523	2.3
97.10160	1.7
99.08120	0.6
103.05458	1.9
104.06246	1.7
105.06390	1.2
105.07030	11.3
105.16107	0.7
107.04955	5.6
107.08599	3.7
109.02879	2.5
109.06518	2.3
109.10147	2.1
111.04448	2.7
111.08083	3.3
113.05995	1.5
115.05454	7.6
116.06265	0.8
117.07011	4.4
119.04985	1.5
119.08586	7.9
121.02898	0.8
121.06496	2.4
121.10148	4.5
123.04456	1.5
123.08067	2.0
123.11671	2.1
125.09676	1.0
128.06206	0.8
129.06996	5.3
131.04961	5.6
131.08569	4.5
132.05740	1.4
133.06514	7.3
133.10132	4.4
135.04474	1.1
135.08057	1.5
135.11676	0.7
137.05965	2.5
141.06990	1.4
142.07700	0.7
143.08595	1.7
145.06508	3.8
145.10100	1.5
147.04417	6.2
147.08046	2.0
147.11720	4.1
149.09665	2.2
151.03903	1.4
153.07018	0.7
155.08586	1.2
157.06436	1.4
157.10138	4.7
159.04388	5.1
159.08040	1.7
159.11739	0.8
160.05203	16.1
161.05986	20.3
161.09645	4.3
163.11209	1.4
165.12791	0.8
169.06461	1.2
171.08073	1.8
173.05992	15.9
173.07367	1.2
173.09607	1.0
174.06563	0.9
175.07616	1.4
175.11182	4.8
181.12268	0.9
185.05945	0.9
185.09654	1.1
186.06781	2.1
187.07527	4.7
189.09097	2.6
189.11223	0.7
191.10649	0.8
193.12248	12.6
197.09589	0.6
197.13248	0.9
201.05388	0.7
203.07001	1.9
203.10689	4.5
211.13300	17.4
225.12743	1.5
227.12825	0.9
243.13803	5.8
243.15903	0.9
253.12372	0.9
271.13303	25.3
273.14807	4.5
277.14420	0.7
283.15317	0.7
285.14694	3.9
285.17404	9.6
289.14349	20.3
313.14285	5.5
327.16089	0.7
331.15417	2.6
345.16986	11.1
387.18018	2.6
405.19156	0.8
463.24689	0.8
481.25714	0.8
481.40491	0.6
487.27112	0.7
499.26974	0.8
555.29510	10.6
573.30591	100.0
574.31000	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3039
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.03938	0.8
55.01848	1.0
55.05516	4.9
57.02286	0.8
57.03439	4.5
57.06794	1.2
57.07079	23.6
67.05506	10.1
69.03455	0.9
69.07061	6.1
71.02479	0.6
71.04969	1.0
71.08634	15.4
71.53456	0.8
78.41386	0.6
79.05495	4.7
81.03427	4.1
81.07058	11.8
83.05004	0.9
83.08628	6.4
85.10185	8.7
89.06042	1.7
91.05472	3.8
93.07057	4.3
95.04947	1.9
95.08608	14.7
97.06529	1.7
97.10158	3.2
98.98468	23.6
99.08110	0.8
103.07613	1.0
105.04436	0.7
105.07045	3.5
107.05002	0.7
107.08610	2.7
109.02902	3.2
109.06541	0.7
109.10161	8.4
119.08590	2.1
121.06461	0.9
121.10114	1.1
122.16797	0.7
123.11685	2.2
125.09646	1.1
129.07050	1.2
131.08572	1.4
133.10153	2.0
134.13002	0.8
135.08092	0.9
135.11681	2.2
137.13293	0.8
143.08569	1.0
145.10138	1.0
147.11694	1.6
155.01045	21.1
171.11684	1.7
183.11621	0.8
202.65747	0.8
239.23698	4.0
256.26349	3.7
261.03717	0.7
275.20007	1.9
281.17484	1.5
293.58102	0.7
313.27368	100.0
314.27945	0.8
317.06384	3.7
335.07364	2.1
335.26120	1.0
349.23868	1.2
393.23938	5.5
401.28973	2.3
403.27121	0.8
517.66156	0.8
537.28326	4.0
555.40509	1.9
573.40991	2.9
573.48877	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	573.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01857	3.9
55.05514	8.5
57.03432	5.7
65.03938	1.2
67.05514	10.9
69.07058	3.9
71.01342	2.0
71.04978	2.8
71.53725	1.4
75.27648	0.9
77.03909	0.9
79.05499	12.4
81.03420	38.7
81.07064	18.6
83.04966	3.6
83.08628	6.6
85.02908	13.7
85.06536	2.1
86.09680	1.0
91.05487	13.7
93.07041	9.6
94.90818	1.0
95.04968	11.2
95.08609	8.0
97.02888	1.4
97.06535	1.8
97.10180	3.5
103.05489	1.2
104.06237	1.1
105.03371	1.8
105.04541	1.0
105.07040	13.4
107.04974	5.2
107.08591	3.8
109.02879	1.8
109.06528	2.8
109.10159	2.5
111.04412	2.9
111.08082	1.8
115.05486	6.6
117.07015	4.4
117.79852	0.9
119.04933	3.1
119.08578	7.9
121.02808	1.9
121.06512	3.0
121.10130	3.2
123.04427	5.3
123.08073	2.3
123.11739	5.8
125.09625	2.8
129.07022	6.6
131.04935	6.8
131.08562	6.0
132.05771	1.9
133.06473	7.4
133.10091	4.8
135.08092	2.6
137.05994	2.8
141.06987	2.6
141.44002	1.0
143.08557	3.2
145.06529	6.2
145.10153	2.0
147.04434	5.5
147.08057	3.6
147.11691	3.3
149.09612	2.8
151.03877	7.1
153.12801	1.5
155.08591	2.6
157.06514	2.8
157.10114	3.6
159.04437	3.7
159.08037	1.8
160.05234	12.2
161.05992	15.4
161.09653	4.5
163.11217	2.5
165.06996	1.6
165.12831	1.1
167.08507	1.7
169.06531	1.4
169.10168	1.5
171.08061	3.0
171.11703	1.9
173.05998	16.8
173.09576	0.9
175.07585	3.1
175.11223	4.6
181.12396	1.1
183.08139	1.5
185.09587	1.3
186.06891	1.2
187.07576	4.6
189.05495	1.6
189.09103	2.1
189.11244	2.1
193.12273	7.1
195.11742	1.1
197.09621	2.0
197.13219	1.4
199.07552	1.7
201.05518	3.7
201.09158	1.6
202.06306	1.5
203.07065	8.8
203.10754	2.2
211.13258	10.5
213.12801	1.4
215.14365	1.3
225.09195	1.3
225.12868	1.4
239.14229	1.2
243.13814	3.7
243.16011	2.2
267.13785	1.7
271.06024	3.7
271.13312	18.2
271.16022	1.6
273.14871	2.8
285.10187	2.1
285.14734	35.7
289.14362	15.5
311.16522	1.7
313.14346	23.8
315.15851	2.4
331.15350	13.3
345.16937	7.1
369.17157	1.2
373.16833	1.1
387.18039	13.8
405.18976	6.6
429.95868	1.0
461.08978	1.1
463.24780	3.9
475.27063	1.4
481.25702	5.6
499.27072	4.4
543.01343	1.1
555.29517	33.2
573.30603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59662	1.1
53.56400	1.0
56.96572	6.3
63.70808	1.2
69.60436	5.5
72.96712	1.1
81.03404	1.1
82.99858	2.4
84.96052	1.8
85.02901	1.6
91.05476	2.9
97.02927	1.2
98.20769	1.3
98.97588	4.4
101.00899	13.7
110.97563	1.4
113.00897	4.8
115.02456	2.2
119.01932	21.2
119.04960	4.5
127.02431	5.2
131.00192	1.2
131.01917	10.5
133.03487	3.3
135.98004	1.5
137.02989	1.7
139.02429	2.2
143.00218	1.9
143.01907	29.7
145.03488	12.5
147.01505	1.6
147.04414	19.1
148.04759	2.0
153.04001	1.2
154.36699	1.3
154.46361	1.4
155.01920	21.2
156.03638	1.9
157.03476	8.1
161.02988	22.1
167.01891	13.3
168.99884	6.1
169.03493	6.3
170.99669	2.4
171.01436	2.9
171.04997	2.3
173.01421	2.3
173.02963	23.9
175.04581	1.6
179.01910	6.8
180.99928	1.2
183.01521	1.1
185.02977	47.9
187.00935	4.8
187.04576	3.9
189.00749	3.9
191.04028	2.9
196.99388	1.8
197.02956	16.6
199.00974	3.7
201.00769	2.1
201.02490	3.1
201.07845	1.3
203.04091	11.9
207.01794	4.1
209.03128	1.7
213.02554	2.7
215.00421	10.7
215.04010	11.3
217.01982	3.1
219.01675	1.8
219.03462	2.8
221.05069	3.4
225.02434	1.5
227.03995	10.4
228.05807	4.3
228.55814	2.3
229.02040	4.4
231.03539	4.0
232.10541	1.2
239.02214	1.8
241.01955	2.8
245.05103	100.0
247.02971	7.7
255.73767	1.2
257.05237	6.6
259.03046	3.1
261.02777	1.5
263.06186	11.3
264.06354	1.3
269.05664	1.1
271.03000	4.0
275.02850	2.0
275.06143	13.4
289.04114	9.8
293.07150	4.5
299.02734	2.7
301.04068	3.2
303.05991	1.2
303.09253	2.3
305.07278	10.7
307.05133	6.9
318.59140	1.6
319.05106	3.8
321.06870	1.6
321.10336	1.3
331.05188	9.6
333.06750	2.1
335.02762	1.3
335.08368	4.8
343.05267	1.4
347.08676	1.5
349.06131	14.1
359.04761	2.3
361.06387	1.7
365.09354	22.3
377.01517	1.4
377.05829	2.8
391.07242	4.4
407.06454	1.7
409.08319	2.9
469.09952	3.1
483.12372	1.8
511.11401	12.9
539.10840	3.7
571.13507	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	572.437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81233	1.1
55.05511	2.5
57.07081	26.3
67.05499	4.5
68.44859	1.2
69.07073	1.8
71.08633	23.5
73.06564	7.8
79.05482	2.2
81.07058	2.2
83.08622	3.0
85.10191	22.6
87.04469	4.4
89.06038	100.0
93.07029	2.6
99.11712	2.0
105.07039	2.0
107.07063	1.9
107.08606	1.8
109.10146	2.7
111.58440	1.2
117.09150	7.0
119.08567	1.3
128.55156	1.1
130.08630	2.6
131.07050	2.2
133.08611	49.0
135.10114	1.3
141.16388	4.8
161.11732	2.0
177.11256	22.7
185.19060	5.3
192.62943	1.1
220.86873	1.2
221.13863	6.0
229.21628	11.9
239.15005	2.4
265.16473	1.1
273.24243	11.3
280.33499	1.1
327.20468	1.4
383.24191	2.5
394.46234	1.1
415.25491	3.9
555.40894	12.9
572.43433	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01870	1.5
55.05507	2.6
57.03425	2.0
60.04531	0.7
61.02918	2.0
64.99525	0.4
66.37335	0.4
67.05505	5.8
69.03436	3.6
69.07073	4.8
71.04979	1.7
71.41415	0.4
71.53010	0.8
73.02942	0.5
79.05494	3.3
81.03425	1.8
81.07062	23.3
83.04983	2.0
83.08613	2.9
85.02909	18.3
85.03432	0.7
85.06564	2.2
87.04457	0.5
91.03931	0.9
91.05486	4.9
93.07048	3.2
95.04955	0.8
95.08594	4.0
97.02897	4.7
97.06534	1.8
99.04443	1.1
99.08104	1.3
100.11299	0.8
101.05994	0.6
104.07082	0.8
105.07037	12.1
107.08598	4.3
108.97665	0.5
109.02863	1.8
109.06527	1.7
109.10168	0.7
113.06035	0.8
119.08586	8.6
121.10162	8.5
123.08070	1.7
123.11716	14.8
127.03918	4.8
127.07552	2.3
131.08618	0.7
133.10124	1.4
137.09605	0.7
137.13264	1.3
141.09149	1.0
145.04962	8.4
145.10089	0.6
145.34741	0.4
146.20694	0.5
147.04440	0.6
147.11694	40.4
157.10136	0.9
163.06094	2.2
165.12762	27.1
175.11154	1.1
180.08679	1.8
183.13791	8.8
184.31544	0.5
193.12262	3.6
211.13304	8.3
229.14363	100.0
230.14632	0.6
372.27490	1.1
386.32990	0.5
390.28751	0.8
569.47272	0.9
570.49084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.6
56.86060	0.4
57.06830	0.5
57.07082	5.1
58.06599	1.9
70.06599	14.1
70.49842	0.4
71.08636	2.4
72.08144	0.4
77.03941	0.5
79.64711	0.3
85.10178	0.8
88.07639	19.0
90.87123	0.4
93.10824	0.4
98.20712	0.9
102.09186	13.4
105.03394	13.3
107.08619	0.4
131.04939	0.7
131.36813	0.4
149.02364	9.3
149.05989	54.0
166.86189	0.4
173.48479	0.4
175.03888	0.6
181.06499	1.3
193.04979	8.9
196.30099	0.4
204.67039	0.4
206.58012	0.3
212.23882	0.7
219.06557	1.0
240.35020	0.3
243.92043	0.4
250.82465	0.3
256.26370	42.2
297.07602	10.5
333.15146	0.4
341.10214	47.4
487.37534	0.4
570.34271	100.0
571.34656	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2937
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
54.83878	0.3
55.05507	0.6
57.28019	0.3
67.05499	1.2
69.03426	0.4
69.07105	0.4
78.18224	0.3
79.05489	1.0
81.03437	0.4
81.07069	1.6
81.53636	0.3
91.05488	0.9
92.45477	0.3
92.48606	0.3
93.07042	1.1
95.04987	0.7
95.08640	0.5
105.07076	0.6
107.04963	0.4
107.08615	0.6
109.02881	0.7
117.07025	0.7
121.06516	0.4
121.10151	0.5
131.04924	0.4
131.08534	0.4
133.06487	0.3
135.11694	0.3
137.02289	0.6
143.08517	0.5
145.06508	0.3
145.08853	0.3
145.10081	0.5
147.04424	0.6
157.06317	0.3
161.06079	0.4
165.07056	0.4
173.06056	0.3
184.03357	0.3
185.04253	0.7
201.03674	0.4
203.05284	0.7
213.09039	0.4
246.46362	0.3
259.07846	1.5
273.14786	0.4
283.13528	0.4
301.14392	1.2
331.09793	0.4
333.20389	0.5
395.94269	0.3
407.24274	1.7
415.44003	0.3
444.23706	0.3
457.20267	2.4
471.22192	3.9
487.21463	0.8
551.30396	0.6
569.29382	100.0
570.29681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47080	0.2
57.03423	0.2
61.02934	0.3
62.46226	0.2
69.03419	0.6
70.06572	0.3
70.31474	0.5
70.31863	0.3
71.04995	0.2
79.05485	0.2
81.03421	0.2
83.10084	0.2
85.02498	0.2
85.02919	2.2
91.05483	0.6
93.48044	0.2
95.08596	0.2
97.02908	0.7
109.02938	0.3
110.60574	0.2
115.05444	0.7
116.06274	0.3
117.07021	0.5
127.03881	0.3
128.06232	0.8
129.07011	4.6
129.07928	0.4
131.04929	0.7
131.08571	5.0
137.05981	0.5
141.07008	3.3
143.08566	0.5
144.05664	0.4
145.04982	0.4
145.06444	0.6
146.07224	0.3
157.06502	4.1
158.07307	1.4
159.08067	4.9
160.05225	0.6
161.09673	0.4
162.07599	0.4
163.07533	0.6
167.07033	0.8
169.06482	2.8
169.07698	0.2
170.07271	0.9
173.05998	0.6
173.09622	0.5
174.06786	11.5
175.07555	2.3
177.09029	0.2
180.08685	0.3
186.06746	2.8
187.07565	0.5
188.08315	0.6
189.09126	22.6
191.10667	1.9
201.09119	8.3
201.10983	0.5
207.10144	0.6
219.10181	100.0
220.10454	0.5
237.11232	1.7
249.11278	0.2
266.10104	0.2
291.93051	0.2
298.09381	0.5
316.10098	0.4
374.27960	0.3
381.15579	0.5
389.13522	0.4
390.13754	1.1
408.14600	0.6
520.40948	0.3
538.17444	0.2
570.19897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22443	0.8
61.56628	0.8
71.51778	0.9
79.68410	0.8
94.93011	3.0
98.43920	0.7
146.08191	0.8
150.95599	16.9
166.51833	0.8
166.95070	1.1
180.96631	2.6
208.96135	11.2
226.97202	100.0
227.08891	1.1
244.97346	1.0
268.97360	1.3
286.98508	5.7
298.98465	1.3
381.07925	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	569.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01875	1.9
70.98833	1.0
79.05481	1.3
81.03435	0.5
85.02913	1.4
85.66562	0.4
93.03387	0.5
95.04970	1.3
97.02900	1.1
105.04538	0.5
107.04961	100.0
109.02876	0.6
114.67442	0.4
119.04926	0.8
119.08586	0.6
121.02868	1.5
121.06507	0.7
131.04965	1.1
139.03917	1.3
145.06480	1.2
147.04408	1.6
151.03970	0.8
157.06592	0.7
163.03911	1.4
173.06010	1.1
175.03922	1.8
177.05521	1.3
181.05019	1.5
185.06000	1.3
187.03926	1.9
189.05499	1.4
193.04915	2.3
201.05481	2.1
203.03468	0.7
203.06993	0.8
205.04976	5.2
213.05476	1.3
217.04951	3.6
219.06554	2.0
221.04468	1.5
223.06091	1.2
229.04944	2.7
231.02907	0.5
231.06551	1.4
233.04277	0.7
235.05974	3.1
241.04962	2.0
243.06590	1.9
245.04410	0.5
245.08279	0.6
247.06027	4.9
253.05032	1.1
255.06680	1.1
257.04465	0.5
259.06042	6.1
267.06650	0.7
267.59717	0.4
271.06021	5.1
273.07681	0.7
275.05527	0.8
277.06992	2.4
279.06491	0.6
283.05942	1.2
285.07565	1.3
287.09253	0.6
289.06992	4.5
297.07516	0.7
299.09055	0.9
301.07111	2.4
313.07071	3.2
323.09512	0.6
325.07132	1.5
327.08682	0.6
329.10245	1.7
331.08032	1.0
335.09259	1.1
341.10358	1.8
343.08038	1.0
347.09213	0.7
353.10168	6.8
355.08234	1.2
359.09204	0.5
365.10172	3.0
371.11163	0.8
373.10040	0.8
377.10245	3.0
381.09763	1.1
383.11304	6.7
389.12424	1.3
395.11362	8.1
399.10687	0.5
401.12357	7.6
407.11240	3.7
407.25949	0.5
413.12381	5.5
419.11203	4.9
425.12424	1.2
431.13419	7.7
437.12399	6.2
443.11780	0.6
449.12354	6.5
455.13370	2.9
461.12320	2.8
467.13391	7.1
479.13580	5.1
485.14371	1.5
497.14526	4.9
515.15509	3.6
533.16541	1.9
569.25964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.9
55.05510	13.0
56.48092	2.7
57.07066	10.0
67.05508	21.2
69.07062	15.6
69.26010	26.1
76.22627	2.6
79.05495	25.2
80.06286	3.4
81.06643	3.3
81.07063	36.0
83.08601	5.4
91.05483	49.1
92.06252	3.0
93.06482	3.8
93.07050	54.0
95.04980	35.8
95.08604	31.0
103.05456	5.8
105.07036	85.7
106.07822	4.3
107.08603	45.1
109.06495	3.8
109.10159	19.8
115.05462	5.0
117.07024	28.2
118.07803	2.8
119.08585	100.0
120.09339	7.6
121.10145	29.2
123.08051	12.5
123.11704	7.0
128.06244	12.0
129.06993	16.9
130.07791	8.7
131.08571	52.8
132.09363	14.9
133.00676	2.6
133.10146	54.5
134.10918	4.4
135.08112	5.8
135.11661	15.0
137.09636	5.5
138.10385	6.8
141.06970	9.7
142.07813	15.7
143.08578	44.6
144.09366	19.7
145.10133	95.4
147.11664	23.2
147.37791	2.6
149.09615	4.9
149.13235	7.9
153.07042	4.3
154.07735	2.8
155.08562	17.1
156.09380	15.4
157.10143	52.4
158.10890	11.4
159.08038	3.1
159.11699	47.0
160.12407	3.5
161.09601	8.9
161.13234	6.4
163.11140	3.6
165.06978	4.0
167.08556	7.5
168.09332	9.4
169.10127	26.7
170.10904	7.8
171.11700	38.0
172.12425	8.5
173.13264	27.6
175.14848	18.0
177.12822	5.4
179.08554	10.4
181.10123	16.1
182.10873	8.3
183.11685	22.2
184.12444	6.0
185.13249	23.9
186.14052	6.7
187.14870	18.3
189.12741	5.3
191.14336	9.7
193.10126	6.7
194.10962	9.8
195.11670	25.3
196.12486	12.2
197.13278	28.2
198.14041	6.4
199.14839	10.2
201.12782	4.7
201.16423	6.4
206.10951	4.8
207.11673	11.6
208.12500	3.2
209.13274	26.6
211.14836	16.2
213.16422	8.1
215.17801	2.8
217.15865	5.2
219.17450	3.8
221.13249	11.8
223.14835	7.9
224.15564	5.9
225.16365	10.5
231.17471	3.6
233.13281	3.3
235.14828	5.8
237.16357	9.2
239.17860	4.3
244.44412	2.4
247.14786	2.7
249.16280	6.3
251.18086	3.2
253.19485	3.7
255.17570	3.2
257.18832	2.7
265.19644	4.7
271.20514	3.2
277.19730	3.1
279.21106	3.2
283.20425	4.4
285.22092	4.8
311.29294	4.5
323.23700	6.7
338.26065	45.0
430.32379	14.4
448.16284	2.9
476.36368	26.8
568.42694	46.6
568.56262	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	568.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.05508	10.0
57.03421	1.3
57.07082	6.9
59.04975	2.0
60.47102	1.1
64.03174	1.1
65.03922	3.0
66.53724	1.2
67.05512	17.0
69.03439	3.1
69.07069	13.6
69.57403	2.8
69.57816	5.2
77.03929	1.9
79.05492	26.6
79.99872	1.2
80.06279	3.8
81.06590	1.8
81.07061	33.1
83.04971	4.8
83.08629	6.2
85.06542	4.1
86.24091	1.3
91.04898	2.2
91.05479	42.0
92.06269	3.0
93.06482	2.5
93.07048	50.9
93.07639	2.4
94.07812	1.5
95.04968	36.9
95.08605	27.8
97.06528	2.2
98.20815	2.4
103.05469	4.8
104.06327	1.4
105.04520	2.2
105.07035	84.1
106.07828	7.4
106.92743	1.2
107.08595	48.1
108.09399	2.3
109.06514	5.2
109.10159	19.8
111.08078	2.2
115.05413	4.9
116.06183	2.5
117.07018	26.0
118.07774	3.0
119.03945	1.2
119.08583	100.0
120.09402	7.7
121.06524	3.6
121.09320	2.4
121.10148	31.9
121.11034	1.7
123.08064	16.1
123.11695	5.2
125.09621	2.8
128.06212	7.8
129.07018	15.6
130.07784	8.3
131.07588	2.8
131.08568	51.9
132.09373	10.6
133.06567	1.3
133.10133	57.0
134.10970	7.7
135.08067	4.5
135.11687	18.2
137.09642	6.6
137.13235	1.3
138.10410	12.4
141.07013	7.6
142.07782	15.9
143.08574	43.3
144.09343	14.3
145.10129	90.9
146.10887	5.8
147.08032	3.5
147.11687	26.1
148.08839	1.6
149.09616	5.3
149.13260	3.5
151.11171	3.5
153.06990	1.6
154.07784	1.5
155.08571	17.1
156.09338	16.8
157.10130	51.6
158.10938	11.8
159.11696	43.1
160.12488	3.8
161.09610	7.0
161.13260	8.4
163.11221	3.0
163.14914	2.7
165.06990	3.6
166.07829	2.0
167.08556	8.7
168.09352	6.3
169.10101	28.3
170.10918	10.0
171.11688	36.9
172.12486	6.9
173.09511	1.2
173.13272	30.5
174.14066	2.2
175.11247	1.9
175.14818	25.5
177.12796	5.2
179.08557	10.5
180.09349	3.6
181.10097	14.9
182.10942	7.7
183.11717	30.1
183.13243	2.5
184.12469	5.5
185.13264	28.8
186.14005	6.7
187.14803	14.2
189.12808	4.6
191.14319	11.6
192.09346	2.7
192.15092	1.8
193.10062	7.8
193.15877	2.5
194.10918	10.2
195.11687	21.5
196.12480	8.6
197.13278	25.1
198.14046	6.9
199.14856	12.2
200.15550	1.6
201.12752	2.9
201.16399	9.2
203.14308	4.7
205.10083	2.3
206.10921	3.3
207.11743	10.5
208.12503	4.3
209.13263	28.5
209.15120	2.2
210.14079	4.2
211.14812	20.8
212.15604	1.8
213.16394	5.6
215.14337	1.6
217.15932	5.5
219.11774	4.0
219.17467	3.5
220.12599	3.0
221.13248	11.8
222.14027	3.8
223.14754	12.2
224.15646	4.9
225.16379	8.2
226.17146	3.4
227.14371	2.7
227.17899	3.0
229.16037	1.6
231.17471	2.4
233.13312	4.9
234.14049	2.3
235.14838	5.7
237.16412	7.1
238.17123	2.6
239.18004	5.1
240.18716	1.4
241.19583	3.1
243.17450	2.2
245.13243	1.6
246.19794	2.1
247.14880	5.0
249.16437	5.5
251.17976	5.7
255.17558	1.8
257.19144	2.7
259.20486	3.1
261.16425	4.6
262.17255	1.4
263.17984	5.7
265.19556	6.5
267.17416	1.7
267.21106	2.3
272.21368	2.0
273.16336	2.0
275.17953	4.5
277.19589	3.4
279.21127	2.3
281.19046	1.6
283.20596	5.1
285.22238	2.3
289.19412	2.2
291.20956	2.0
297.22180	2.4
301.19345	1.8
303.21515	1.4
305.22769	2.6
323.23755	8.5
336.24753	1.5
337.25235	2.9
338.26050	59.1
350.25763	1.6
351.27011	1.6
362.25989	1.9
415.30038	2.4
420.30133	3.0
430.32224	15.6
458.35461	2.8
476.36597	27.5
489.37631	1.5
550.42383	2.1
568.42749	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
55.01865	3.0
55.05511	17.1
57.03426	4.0
59.04991	2.5
65.03938	2.8
67.05508	70.2
69.03436	14.7
69.07069	9.7
70.16290	1.2
70.46284	2.9
71.04987	5.7
76.37966	1.2
79.05070	1.7
79.05495	21.5
79.52439	1.1
81.03421	44.7
81.07058	40.0
83.04982	10.5
83.08624	10.0
85.02889	3.9
85.06521	3.4
91.05476	14.8
93.07041	24.2
95.04962	4.8
95.08608	12.1
97.02882	7.1
97.06532	5.5
97.10162	5.7
98.20911	1.6
99.04450	3.5
99.08089	2.2
105.07048	7.7
107.08588	16.0
109.02908	8.8
109.06512	2.2
109.10157	37.9
111.04466	7.7
111.08073	4.3
117.07007	4.4
119.08617	6.0
121.06512	2.0
121.10115	6.8
122.87528	1.3
123.11765	1.9
125.09672	6.3
127.03934	9.1
129.06944	2.4
131.08565	6.0
133.10152	3.1
135.08072	2.4
135.11719	3.0
137.09601	2.0
147.04364	1.4
147.11671	2.5
149.13275	11.9
155.10690	2.5
159.11673	5.9
165.12767	1.3
173.11734	13.3
177.12759	4.1
189.11235	4.0
195.13808	8.6
213.14859	2.3
227.12775	1.6
229.14270	6.0
263.12866	1.3
269.17490	2.5
299.14801	7.7
303.16080	1.9
321.17252	1.5
339.18097	3.7
351.48468	1.3
355.17584	6.5
395.20630	3.5
422.57980	1.4
423.27347	10.4
549.30426	3.5
567.31665	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.8
55.01870	2.7
55.05512	16.6
57.03421	4.7
59.04988	2.7
65.03932	1.9
67.05508	85.5
69.03435	13.5
69.07076	10.9
69.57561	1.4
71.04976	5.8
71.54013	1.9
71.54433	1.7
72.32936	1.5
79.05072	1.9
79.05492	21.0
81.03423	45.5
81.07063	46.0
83.05002	9.0
83.05418	1.8
83.08617	10.8
85.02885	6.3
85.06548	3.1
89.54290	1.5
91.05485	17.9
92.51286	1.7
93.07042	20.1
95.04966	7.2
95.08618	11.1
97.02926	9.4
97.03452	1.8
97.06526	5.3
97.10167	5.9
99.04490	4.0
100.29401	1.8
105.07034	9.5
107.04954	3.9
107.08598	13.2
109.02914	12.1
109.06503	3.4
109.09473	3.1
109.10164	45.2
111.04430	7.5
111.08100	5.3
117.07020	7.6
119.08577	7.4
121.01989	1.7
121.06522	2.7
121.10142	7.2
123.11742	2.1
125.09639	6.8
127.03948	8.6
129.07013	4.0
131.08548	6.2
133.10130	6.3
135.08086	1.9
135.11696	4.6
137.09642	2.3
147.11699	4.7
149.13240	9.5
155.10724	3.7
159.11690	6.6
167.08453	1.7
169.00755	1.6
171.55788	1.6
173.04443	1.8
173.11723	16.7
177.12721	3.4
183.06454	1.6
189.11223	3.2
195.12074	1.7
195.13838	6.3
213.14842	3.7
227.12691	3.6
229.14290	8.0
269.17572	2.7
299.14981	5.1
303.16107	2.4
316.14029	1.6
321.16891	2.5
339.18057	5.2
355.17468	4.4
377.19962	1.9
395.20627	6.2
423.27307	11.5
454.43073	2.0
493.27768	2.7
531.29498	2.8
549.30865	6.0
567.31586	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.05511	1.6
57.03435	1.0
65.03953	0.3
66.38156	0.3
67.05504	5.5
69.03437	1.0
69.07082	1.0
69.36234	2.6
71.04996	0.6
75.12535	0.3
79.05504	2.4
81.03419	4.5
81.07065	3.3
83.04998	1.0
83.08637	1.0
85.02928	1.4
91.05466	2.1
93.07042	2.5
95.04983	0.9
95.08631	1.3
97.02937	1.0
97.10211	0.5
105.07072	1.1
107.08613	1.4
109.02917	0.6
109.06524	0.5
109.10162	3.1
111.04495	0.5
117.07036	0.5
117.56226	0.3
118.60858	0.3
119.08626	1.2
121.10183	0.9
123.08079	0.3
123.11741	0.3
127.03986	0.6
129.07040	0.8
131.08595	0.9
133.10139	0.9
135.45651	0.4
139.03963	0.4
145.06473	0.6
147.11732	1.0
149.09663	0.8
149.13301	0.9
157.10182	0.6
159.11769	0.6
173.11765	0.6
175.11284	0.5
193.12244	0.8
197.00925	0.3
211.13391	0.4
229.14297	0.5
251.12703	1.4
267.16040	0.6
283.15167	10.3
283.18057	0.6
299.15134	0.4
307.15329	1.0
339.17819	4.8
355.17435	0.6
423.27371	0.5
471.04285	0.4
567.31586	100.0
568.32153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1703
Annotation	CHEBI:70200
Peak:m/z	Relative Intensity
55.01863	5.8
58.01437	3.2
69.03419	4.3
69.42333	26.3
70.06577	5.0
79.05509	5.0
81.03427	7.1
83.04990	3.4
85.02892	22.3
90.20059	3.8
91.05491	8.4
93.03420	11.0
95.04955	6.4
97.02888	19.6
98.20714	6.7
103.03777	3.5
107.04961	20.1
109.02863	15.8
111.04405	7.7
115.05454	4.5
119.04944	11.8
121.02884	41.0
121.06508	7.1
123.04415	10.7
131.04929	6.8
133.02831	5.1
133.06482	4.4
135.04436	20.7
137.05946	5.8
139.03879	10.9
145.02846	4.6
145.06502	8.3
147.04422	25.7
149.02327	9.6
149.06009	6.8
151.03877	8.8
153.01834	4.5
157.06487	4.3
159.04417	10.2
161.06003	7.1
163.03915	14.0
165.01831	16.5
170.44885	3.3
171.04453	8.3
173.02333	7.6
173.05988	11.5
175.03865	10.2
177.01810	21.6
177.05463	7.7
183.02888	7.4
185.05945	5.0
187.03897	9.2
189.01816	30.0
191.03400	18.3
195.02881	27.9
199.04012	5.9
201.01944	4.3
201.05429	9.9
203.03429	26.0
205.01212	5.9
205.04948	8.3
207.02882	46.5
213.05438	6.7
215.03387	20.4
217.01300	7.2
217.04953	8.0
219.02896	83.5
223.02376	9.0
225.03972	15.8
225.10159	7.9
227.03482	6.2
229.04982	19.5
231.02901	73.7
233.04407	17.6
237.03957	14.9
241.04886	9.4
243.02846	39.8
243.06639	4.2
245.04439	13.1
249.03883	29.7
253.09679	9.0
255.02849	12.4
257.04413	16.9
259.02472	5.0
261.03967	100.0
265.09683	8.5
266.10461	7.3
267.11197	8.9
269.04462	16.4
271.02463	4.6
273.03952	44.9
277.03275	6.4
279.04956	6.9
281.04556	7.4
281.09174	7.6
285.03998	42.3
287.05585	6.0
291.05002	38.3
293.09274	6.4
294.09943	11.7
297.03931	24.2
297.07581	11.3
299.05362	5.3
303.04959	26.2
309.06229	33.5
315.05035	31.1
319.04501	3.8
321.05835	7.0
325.07040	6.2
327.04993	30.8
327.08560	16.9
333.06030	17.2
339.09296	26.0
345.06009	13.2
351.08621	38.5
357.06058	21.0
363.07025	27.5
369.09738	6.3
375.07147	40.8
381.09589	46.9
393.08539	42.1
397.09079	7.9
399.10675	67.9
405.10172	9.6
411.09549	43.7
417.10025	11.6
423.10709	18.1
429.11749	30.7
435.10571	12.0
440.27737	3.7
441.11954	13.0
447.10864	20.1
453.11716	24.7
459.12747	22.0
465.11731	26.7
471.13614	6.8
477.11609	13.2
483.12732	12.4
495.13083	24.2
499.13467	4.1
513.13782	42.0
517.14575	59.3
524.83801	4.0
531.15302	7.2
549.16528	8.9
567.18213	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	565.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72267	1.2
52.78990	1.4
57.03435	2.9
60.13963	1.2
61.02924	2.0
67.05504	1.5
69.03404	1.4
69.44797	8.7
71.04961	1.3
81.03419	2.1
81.07063	1.2
82.80363	1.2
85.02892	2.5
91.05433	1.3
96.53883	1.0
97.10128	1.4
98.21482	2.6
109.10157	1.8
119.04929	5.9
120.99291	1.3
121.02872	23.3
135.04390	1.6
139.03903	4.7
145.02769	3.3
147.04395	1.8
151.03915	5.4
156.48824	1.2
161.02344	1.5
163.03922	4.3
177.01845	3.8
179.03355	3.0
187.03868	1.4
189.01871	7.2
191.03407	4.6
195.02844	3.5
202.02438	1.4
203.03423	8.8
207.02797	6.4
215.03383	4.6
217.04868	3.4
219.02867	2.4
219.10115	6.4
229.04980	2.6
233.04477	2.2
245.04436	1.9
267.06787	1.4
268.07269	3.7
271.06091	2.4
279.06482	2.8
280.07162	1.7
281.07959	1.3
283.05984	8.1
284.06909	2.8
292.07297	2.5
293.08163	3.0
294.05173	8.8
295.06024	62.3
296.06757	4.9
297.07507	8.0
307.06006	49.1
307.09540	3.1
308.06778	11.6
309.07550	16.4
313.07217	7.9
313.10156	1.4
317.08044	1.9
319.06110	5.0
320.06680	7.5
321.07544	24.9
322.08292	4.4
323.05432	2.7
323.09097	6.3
325.07068	53.7
333.07639	16.2
335.05539	3.2
335.09076	6.2
336.06125	3.1
337.07071	35.8
337.11093	2.4
339.08606	2.8
345.07315	3.4
347.05289	2.1
347.09058	10.9
348.06140	1.5
349.07053	30.6
349.10727	1.2
350.07645	3.2
351.08569	16.1
353.06381	2.3
355.08060	2.6
357.07245	2.0
361.07062	10.1
363.08652	8.6
365.06403	4.0
365.10471	8.4
367.08249	11.4
373.07092	3.3
375.08694	13.0
377.06250	2.8
377.10257	3.3
379.08124	37.2
387.08438	1.5
387.14182	2.0
391.08087	15.8
393.09695	13.9
395.07483	2.5
397.09216	25.4
401.10278	1.9
403.08072	12.4
405.09467	4.3
407.07187	1.6
409.09271	11.9
411.10416	2.4
415.09903	4.5
417.09879	4.3
419.11197	4.2
421.09201	22.4
427.10242	8.2
429.09451	1.9
431.07721	1.5
433.08871	3.6
439.10291	46.6
445.09695	4.4
447.10715	5.5
451.10141	5.4
457.11319	10.9
463.10281	2.1
465.11691	5.6
466.04861	1.4
467.09232	3.2
475.10306	9.9
481.11246	2.9
483.12634	5.7
485.10825	4.4
493.11295	28.7
511.12396	64.5
529.13452	100.0
530.12726	2.0
547.14392	19.5
560.42908	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.9
55.01871	5.7
55.05510	20.0
57.03424	10.8
57.07084	30.9
67.05512	43.3
67.25378	3.6
69.07056	13.5
70.96672	6.8
71.08642	26.8
79.05489	22.9
81.03410	22.8
81.07065	42.8
83.08637	19.8
85.10176	13.8
91.05486	21.5
93.07056	39.7
95.04972	62.8
95.08623	33.8
95.27576	4.0
97.10138	10.9
105.07027	32.8
107.04927	9.3
107.08604	27.1
109.02892	10.4
109.06554	5.2
109.10178	20.0
117.07016	10.3
119.08589	31.8
121.06505	9.2
121.10158	22.2
121.97996	3.4
123.04430	72.8
123.08064	5.8
123.11694	5.5
125.05994	4.7
125.09653	7.2
128.06178	5.6
129.06999	9.9
131.08583	17.7
133.10152	20.3
135.08011	8.9
135.11673	16.9
143.08554	13.9
144.37086	4.0
145.10138	23.5
147.08025	8.5
147.11684	9.2
149.06035	4.2
149.09625	8.6
155.08586	5.5
156.09409	6.2
157.10117	14.5
159.11746	8.7
163.11171	17.1
167.10713	6.0
169.10159	8.5
171.11691	18.8
173.09592	7.8
173.13304	4.1
181.10146	6.4
183.11641	4.7
185.13293	6.3
189.12701	6.3
191.10660	7.0
195.11620	5.3
199.14742	5.3
207.11800	5.9
207.13800	8.7
209.13327	7.8
217.12231	6.0
218.89139	5.0
221.13286	5.2
221.15262	6.5
223.14850	4.7
235.13277	83.8
239.23709	5.4
275.17749	4.0
279.21109	4.6
309.16974	64.0
313.27350	100.0
353.04483	4.1
473.33694	4.1
547.39935	76.8
565.40570	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30346	2.7
55.01881	4.5
57.03424	2.4
61.02919	3.2
64.07642	2.5
70.86272	6.1
85.02897	4.4
104.62395	2.7
109.02883	2.3
116.13039	2.7
119.04942	9.4
121.02885	37.3
135.04361	3.0
145.02803	2.9
177.01828	7.3
179.03436	3.9
189.01787	9.4
191.03456	5.8
195.02867	6.5
201.05368	2.9
203.03461	12.8
207.02878	9.5
215.03406	3.6
217.04967	5.9
219.02882	7.9
227.03268	3.7
229.05026	4.4
243.02884	3.4
268.07349	4.6
269.04471	3.6
279.06512	6.3
281.08081	6.6
283.05997	5.9
284.06818	3.3
285.03748	3.6
293.08002	6.3
294.05240	22.2
295.06021	84.4
295.09412	4.1
296.06760	7.3
297.07666	6.7
307.02692	3.8
307.06030	62.8
307.09528	3.7
308.06830	19.3
309.04282	3.7
309.07608	18.1
313.07098	4.4
317.08118	3.9
319.05905	9.8
319.09494	3.3
320.06876	7.0
321.07602	34.5
322.08215	13.6
323.05484	3.9
323.09039	6.3
325.07074	88.7
329.08405	3.2
333.07660	19.2
335.09119	11.4
336.06332	5.5
337.07071	69.0
339.08643	3.3
345.07639	3.8
347.08948	14.9
349.07156	43.6
351.08755	24.0
355.08188	16.4
361.07059	23.3
363.08563	11.3
365.10162	11.5
367.07910	10.9
373.06918	9.2
375.08636	15.9
377.10397	3.3
379.08200	100.0
385.06958	5.7
387.08527	5.2
389.10049	3.3
391.08130	33.2
397.09201	74.8
403.08133	23.1
405.09543	9.6
409.09216	52.4
415.10349	27.2
417.09802	5.5
419.11179	5.4
421.09125	26.8
427.10266	35.6
429.09705	3.9
433.09277	19.4
439.10300	26.7
445.11316	52.7
451.10263	42.7
457.11353	77.4
463.10202	4.7
469.11356	67.1
475.10489	12.0
481.11325	56.4
493.11331	48.7
499.12418	47.4
511.12393	63.7
529.13452	76.8
533.62421	2.5
547.14532	45.3
565.15454	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	565.1552
Annotation	Isomollupentin 2''-O-glucoside
Peak:m/z	Relative Intensity
55.01865	3.2
61.02910	1.4
70.58884	3.1
103.03976	1.1
107.04942	1.1
119.04932	4.6
121.02859	22.7
141.47484	1.2
145.02823	2.8
145.06354	1.2
176.01083	1.1
177.01823	3.2
179.03348	1.3
187.03960	1.4
189.01833	5.0
191.03334	3.5
195.02863	2.5
199.03915	1.8
201.05460	1.3
203.03400	8.3
207.02934	2.4
215.03354	3.1
217.04980	4.7
219.02930	3.2
227.03458	1.5
229.05035	1.3
233.04526	1.8
241.04906	1.6
243.02879	2.3
255.02823	1.7
263.07281	1.2
268.07327	2.2
273.04022	1.5
279.06412	3.2
280.07333	1.5
281.04715	1.0
281.08011	3.0
283.05948	3.5
292.07202	1.7
293.08047	3.3
294.05209	9.7
294.41339	1.1
295.06015	44.5
295.09415	2.4
296.06638	2.9
297.07562	4.5
305.07993	1.7
307.06003	26.3
307.09500	2.0
308.06790	9.6
309.07486	11.7
313.07083	2.1
317.08057	2.2
319.05899	3.2
320.06705	5.0
321.07526	20.5
322.08264	3.5
323.09097	2.5
323.63705	1.2
325.07040	39.4
329.08099	3.2
331.05826	2.0
333.07571	11.9
334.08652	2.6
335.09079	12.5
336.06216	1.6
337.07043	35.8
339.08554	3.4
345.07596	7.8
347.09146	3.4
349.07077	24.9
349.10797	1.0
351.08603	13.7
355.08142	8.1
359.09274	1.7
361.07047	14.6
361.10992	1.5
363.08609	18.6
367.08118	4.4
373.07236	8.2
375.08612	2.5
379.08127	41.2
387.08362	3.1
391.03061	2.2
391.08121	39.6
399.08569	1.5
401.10226	2.8
403.07990	4.3
409.09195	67.4
415.08023	5.2
417.09424	2.4
421.09232	3.6
427.10254	100.0
428.10553	2.1
429.10040	1.7
433.09216	7.3
439.10178	2.5
445.10016	6.3
457.11307	8.0
463.09985	4.4
475.12024	10.0
481.11313	23.2
493.11322	9.2
499.12393	17.1
511.12366	71.6
512.12201	1.4
529.13391	41.4
530.12598	1.3
544.76935	1.2
547.14514	16.2
565.15479	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	565.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	6.4
57.03439	3.1
61.02923	3.4
68.99799	2.3
70.41121	4.9
70.41451	2.5
75.68992	2.0
81.03454	3.0
85.02892	6.6
91.05516	2.4
93.03467	3.6
107.04928	2.0
110.18441	1.9
119.04926	12.4
121.02874	66.9
139.03935	2.3
145.02855	5.9
149.06000	2.2
163.03886	6.6
173.02325	2.9
175.03877	3.0
177.01865	7.9
177.05330	2.1
179.03368	2.6
187.03854	3.4
189.01810	14.1
190.88461	2.5
191.03413	7.4
195.02864	8.5
201.01773	2.0
203.03412	15.1
205.05054	4.4
207.02898	7.1
209.04343	2.9
215.03429	8.0
217.04942	7.2
219.02957	6.5
221.04405	3.6
227.03384	4.7
229.04941	5.8
231.02962	4.6
233.04520	2.8
241.04959	2.6
243.02824	6.3
255.02769	5.2
257.04538	2.3
261.03876	3.4
268.07367	3.5
271.05991	2.5
279.06497	4.2
280.07324	4.1
281.08130	5.7
283.05978	7.9
284.06433	2.4
285.03949	3.0
293.08069	2.7
294.05225	24.8
295.06033	84.4
295.09326	2.8
296.06714	7.2
297.07556	8.9
305.07925	3.4
307.06036	63.3
308.06772	17.5
309.07590	22.2
313.06979	4.9
317.08087	3.9
319.06036	9.1
320.06918	10.6
321.07611	44.6
322.08340	11.8
323.05554	4.3
323.09140	5.7
325.07062	87.4
329.08273	4.6
333.07629	23.5
334.08395	4.3
335.05600	3.7
335.09085	23.3
336.06271	4.1
337.07047	67.9
339.08585	6.0
345.07608	15.8
347.09192	10.8
349.07022	48.4
350.07788	2.8
351.04794	3.7
351.08612	27.5
355.08145	14.2
359.09073	2.9
361.07028	29.7
363.08685	25.1
365.10101	5.3
367.08273	12.4
373.07101	13.7
375.08841	13.1
377.10483	2.8
379.08160	94.3
387.08496	6.1
391.08142	59.8
393.09311	4.8
397.09302	30.3
399.08679	2.9
401.10437	2.9
403.08017	15.8
405.09729	5.8
409.09207	82.9
411.08908	4.9
415.10400	13.4
421.09171	16.9
427.10309	100.0
429.09647	2.3
433.09128	17.2
439.10425	14.2
445.10953	23.5
451.10327	17.9
457.11368	37.0
463.10303	6.2
469.11444	27.5
475.10626	10.7
481.11270	43.5
493.11212	27.7
499.12424	35.2
511.12411	81.5
529.13470	62.5
547.14362	32.1
565.15381	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	565.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60452	1.1
55.01861	3.3
61.73192	1.2
71.53503	1.1
71.54031	1.2
74.32384	1.1
81.03392	1.3
90.71919	1.1
107.04956	1.8
110.50417	1.2
119.04942	5.4
121.02879	28.6
127.03858	1.5
131.05016	1.5
135.75394	1.1
139.03911	4.4
145.02885	2.3
151.03940	7.5
161.02318	1.3
163.03934	2.5
163.11194	1.2
165.01910	2.1
177.01842	3.9
179.03421	1.7
187.04002	2.1
189.01857	5.5
191.03383	3.9
195.02940	3.5
199.03915	1.8
203.03419	10.8
205.05011	2.4
207.02867	4.7
211.04086	1.6
215.03368	8.2
217.04947	3.6
219.02957	2.8
219.10150	10.0
221.04521	2.3
227.03514	1.4
229.04987	2.1
231.02850	2.7
238.29951	1.2
243.02968	3.7
245.04431	1.7
255.06516	6.1
261.03839	1.4
268.07175	2.9
274.37305	1.1
279.06528	2.4
280.07059	1.3
283.05997	12.1
284.06931	1.2
293.08118	3.6
294.05237	6.2
295.06024	58.8
295.09412	3.1
296.06924	3.7
297.07599	9.2
298.37646	1.3
305.08203	2.3
306.08795	1.3
307.06018	42.8
307.09503	2.9
308.06854	8.7
309.07568	18.8
312.06265	3.0
313.07080	3.1
317.08035	2.8
318.08838	1.6
319.06100	4.9
320.06757	7.0
321.07626	28.9
322.04745	1.5
322.08368	4.2
323.05502	3.4
323.09256	6.7
325.07095	41.6
326.07800	1.7
329.07947	1.4
333.07599	30.1
334.08417	2.7
335.05566	5.1
335.09186	10.8
336.06302	4.6
337.07065	27.8
339.08701	1.5
345.07681	6.8
347.05301	2.5
347.09155	4.3
349.03491	1.0
349.07053	29.8
350.07843	1.5
351.08630	14.0
353.06607	5.5
355.08249	2.3
357.07358	1.5
359.09311	1.5
361.07080	31.4
362.07983	2.2
363.08636	13.1
365.06375	2.6
365.10477	2.4
367.08124	5.9
373.07111	11.0
375.08554	5.7
377.06586	4.8
378.07446	1.3
379.08151	30.2
383.07379	1.3
387.14624	2.5
389.06183	2.3
391.03079	2.8
391.08096	50.9
393.09540	5.2
395.07828	1.3
401.10123	3.8
403.08151	5.5
407.07550	6.2
409.09256	37.3
417.09720	2.1
421.09015	9.4
427.10284	23.7
429.09650	3.6
433.09076	3.2
434.24295	1.3
435.10532	1.6
439.10376	9.9
445.10074	2.2
447.10703	4.0
457.11276	8.6
463.10165	7.6
465.11804	1.9
475.10562	15.4
481.11307	32.1
493.11304	58.8
499.06012	1.4
499.12210	8.6
511.12424	100.0
512.12665	2.2
529.13446	55.1
547.14557	8.7
565.15546	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	565.1343
Annotation	Theaflavin
Peak:m/z	Relative Intensity
53.03028	0.3
55.01867	1.0
57.03441	0.5
62.71303	0.3
64.85002	0.4
65.03922	1.3
67.05503	0.5
68.99786	1.4
69.03428	0.9
71.05015	1.8
71.05314	0.4
71.39326	0.8
73.02911	0.8
78.21397	0.4
81.07053	0.3
83.04977	1.2
85.02906	3.4
93.03403	1.0
95.04947	0.6
97.02888	1.3
99.04467	0.5
111.00798	0.5
111.04451	4.1
115.03946	0.4
116.97661	0.3
121.02879	1.3
123.04453	1.9
127.03940	1.7
129.05490	1.0
129.06946	0.5
139.03914	100.0
141.07002	0.6
147.04456	0.7
148.96835	0.3
151.03922	5.9
153.01897	0.5
153.05482	0.5
157.06500	0.7
163.03923	4.3
165.05505	0.5
169.06537	1.2
171.04369	0.5
171.08195	0.4
177.05540	0.5
181.05019	0.8
181.06508	0.8
183.04419	0.5
185.06020	1.0
187.07608	0.9
189.05469	0.7
195.06543	0.4
197.06036	1.6
199.03931	0.9
199.07684	0.5
201.05510	1.5
203.03349	0.4
203.07074	0.7
205.05029	0.8
207.02840	0.3
209.05968	0.6
213.05449	2.1
215.03436	0.6
215.07086	1.1
217.05038	2.2
225.05498	1.1
227.07133	1.4
229.05006	2.3
230.05688	0.4
231.06570	1.3
235.04008	0.4
237.05508	1.0
241.05003	1.0
243.06570	2.5
245.04567	1.3
253.05150	0.7
255.06479	2.1
259.06021	5.5
270.05008	0.3
271.06009	4.1
277.07150	1.4
283.06052	1.7
284.06723	0.5
287.05527	12.4
289.06995	1.6
295.06131	2.1
307.05969	1.7
308.06943	0.4
309.07709	0.7
313.07089	0.4
325.07120	1.4
333.07504	0.9
337.07071	1.6
345.07755	0.6
349.07166	0.9
351.08777	0.9
361.07214	0.5
363.08862	0.6
365.06271	0.4
367.08112	1.0
375.08780	0.4
379.08060	2.2
383.07666	0.5
391.08133	1.8
397.09277	1.0
403.08255	0.7
409.09555	1.7
419.09467	0.4
421.09357	1.4
427.10309	12.0
439.10611	1.3
457.11282	0.6
493.11481	1.0
511.12433	1.9
529.13324	2.7
565.13464	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	564.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.05509	18.8
57.03435	13.0
57.07071	4.5
63.67892	2.5
65.68537	2.4
67.05504	78.3
69.07061	22.9
70.47034	2.2
71.04977	6.7
71.08614	2.5
71.50234	2.0
79.05492	43.2
81.06590	4.8
81.07055	82.5
82.66782	2.2
83.04977	6.0
83.08622	15.2
85.06528	3.5
89.15216	2.2
90.62081	2.8
91.05482	30.2
93.07047	69.4
93.17011	2.8
95.04974	5.2
95.08614	39.8
97.06522	7.6
97.10169	2.9
98.21628	4.2
99.08103	3.0
105.07036	14.6
107.08601	34.3
109.06508	3.3
109.10151	7.7
111.08073	4.4
117.06998	8.7
119.08583	13.3
121.06487	3.4
121.10164	27.0
123.08110	3.5
123.11732	6.4
131.08571	9.1
133.10135	9.7
135.08034	3.6
135.11676	16.6
137.84572	2.4
145.10144	5.5
147.11679	8.9
149.13275	32.1
156.95668	2.5
159.11713	14.0
163.14822	2.8
175.11171	6.5
177.12727	30.7
195.12091	3.8
195.13708	14.0
219.13820	13.6
261.22159	6.2
269.17477	76.5
314.07794	2.6
327.19525	7.8
335.25800	72.5
529.38873	100.0
564.26855	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	565.1184
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03947	0.5
53.71825	0.3
55.01849	0.4
56.75586	0.4
57.03423	0.6
61.02927	0.8
65.03960	0.3
65.54292	0.3
68.99799	0.8
69.03085	0.4
69.03429	6.0
70.06586	0.3
71.04987	1.0
71.54162	0.4
73.02907	1.0
79.05476	0.4
81.03411	4.4
81.07052	0.5
83.04967	0.3
85.02905	4.8
87.00829	4.5
91.03941	0.8
92.02634	1.0
93.03400	0.7
93.07037	0.4
97.02892	3.6
99.04433	1.2
105.01866	1.7
107.08546	0.3
109.02862	2.4
109.06525	0.3
111.04435	0.3
117.01855	1.1
119.04985	0.7
121.02877	2.2
126.40166	0.3
127.03918	4.4
139.03903	9.8
145.04979	1.0
147.04445	0.6
147.11606	0.3
151.03906	1.2
153.01831	6.5
159.02879	4.4
163.03877	0.9
165.01797	0.8
167.66429	0.3
183.02867	0.4
189.01833	0.5
197.06070	0.3
200.04655	0.3
201.05496	0.8
203.03363	0.5
213.03871	0.4
215.03296	0.4
215.07037	0.4
217.05013	1.1
218.05756	0.5
219.02904	0.6
228.04213	1.2
229.04953	3.1
231.02946	0.6
231.04948	2.8
245.04446	1.0
246.05176	1.6
257.04498	2.5
259.06186	0.5
260.03137	0.5
271.06186	0.5
273.03946	1.7
274.04721	4.1
283.06000	0.5
284.03165	0.6
285.03940	4.0
294.05200	0.6
295.06055	3.6
297.07529	0.6
302.04224	11.3
307.06015	2.1
308.06866	0.6
309.07620	1.0
312.06171	0.3
317.06558	100.0
318.07028	0.5
321.07645	1.2
323.09061	0.5
325.07098	2.6
333.07715	0.6
335.05499	0.4
335.09247	0.5
337.07230	2.0
349.06973	1.9
351.08560	0.7
361.07147	1.4
363.08807	0.7
365.06638	0.4
367.08023	0.5
375.08505	0.5
379.08157	2.0
383.07675	0.4
387.14178	0.4
391.08261	1.8
393.09686	0.4
397.08981	0.9
403.08490	0.6
409.09213	1.0
421.09235	1.1
427.10263	1.7
439.10471	1.4
452.20779	0.3
457.10980	0.6
463.10101	0.4
475.10385	0.4
481.11133	0.5
493.11349	1.8
511.12442	3.6
529.13513	4.2
547.14380	1.1
565.13690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01869	2.2
57.03426	1.1
59.58370	0.3
61.02921	1.0
65.03936	0.4
67.05501	0.4
68.99788	1.1
69.03434	7.3
71.04985	1.1
71.53490	0.3
71.53871	0.4
73.02921	1.6
81.03422	7.0
81.07045	0.6
83.05009	0.4
85.02914	10.6
87.00833	5.2
91.03935	0.5
92.02626	0.3
93.03413	1.2
95.04953	0.5
95.08592	0.3
97.02894	4.3
99.04451	2.4
105.01870	3.0
105.07024	0.4
107.08580	0.3
109.02885	5.5
109.10166	0.4
111.04445	0.9
117.01867	1.3
119.04924	0.6
119.08599	0.3
121.02884	1.5
123.04486	0.3
127.03927	9.7
129.01793	0.7
137.02348	0.5
139.03915	12.7
145.04962	2.3
145.10106	0.4
147.02922	0.5
147.04404	0.9
147.11697	0.3
151.03880	1.6
153.00720	0.5
153.01842	5.5
159.02913	4.5
163.03918	0.7
165.01793	0.4
167.07074	0.4
177.05452	0.4
181.04936	0.3
201.05521	0.6
203.03419	0.5
207.02899	0.4
207.92665	0.3
217.05009	1.0
218.05704	0.4
228.04143	0.9
229.04964	3.0
231.03009	0.4
231.05046	1.6
241.04721	0.3
243.06439	0.4
245.04478	1.0
246.05275	1.6
255.06570	0.3
257.04474	2.3
259.06055	0.5
260.03064	0.6
263.50961	0.3
271.06070	0.7
273.03912	1.5
274.04688	3.4
283.06113	0.6
284.03143	0.6
285.03946	3.1
287.05573	0.8
294.04956	0.4
295.06052	2.9
297.07709	0.4
302.04218	9.5
307.06067	1.5
308.06830	0.4
309.07614	0.7
317.06577	100.0
318.07028	0.7
321.07581	1.7
322.08224	0.4
325.07092	1.7
333.07578	0.8
335.09274	0.3
337.07101	1.2
345.07596	0.3
349.07126	1.6
351.08670	0.6
361.07132	0.9
367.08133	0.4
373.07040	0.5
375.08789	0.5
379.08185	1.7
391.08105	1.3
397.09079	0.7
407.07495	0.4
409.09177	1.0
421.09241	0.5
427.10300	1.7
439.10211	1.0
457.10767	0.4
481.11267	0.6
493.11185	1.4
511.12408	3.4
529.13531	3.6
547.14679	0.8
565.13281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68859	1.9
53.03930	5.6
55.01853	7.5
55.05510	17.4
57.03225	1.4
57.03443	14.0
61.02937	8.5
61.54509	1.6
67.05505	59.6
69.03424	8.9
69.07068	27.7
69.98605	7.1
71.04978	6.6
73.02906	3.2
79.05493	49.1
81.03407	12.8
81.07059	77.3
83.04980	11.2
83.08618	15.1
85.02908	10.4
85.06522	5.3
91.03960	4.1
91.05487	32.6
93.07044	57.1
95.04987	9.8
95.08068	2.2
95.08614	27.8
97.02920	8.0
97.06538	22.9
97.10153	6.5
99.04430	1.9
99.08060	5.2
99.08698	1.5
101.22636	1.6
103.03902	2.0
105.07033	30.8
107.04936	7.1
107.08595	36.3
109.02854	3.2
109.06511	5.7
109.10165	12.4
111.04438	3.2
111.08086	7.7
117.07023	15.1
119.08597	24.5
121.06515	4.7
121.10154	19.2
123.08047	5.9
123.11667	4.9
124.07600	2.4
125.09652	5.5
127.03920	6.7
127.07535	2.0
129.07007	3.1
131.08580	16.9
133.10129	21.8
135.08058	5.3
135.11711	22.5
137.09593	4.6
139.07475	1.9
139.11198	1.8
143.08562	4.8
145.06517	3.6
145.10132	13.9
147.11705	10.4
149.09624	11.0
149.13271	22.6
151.11124	2.7
155.08568	2.8
157.10110	3.7
159.11714	29.3
161.13203	7.4
163.11217	9.3
169.10063	2.7
171.11665	3.2
171.19612	1.9
173.13255	7.3
177.12729	24.6
179.14317	10.1
181.12216	4.5
183.11699	3.7
187.14848	1.9
189.11270	2.1
193.12234	2.4
195.13762	9.5
197.13179	2.4
227.12697	3.8
229.19534	3.6
237.14619	1.7
239.17958	4.3
247.20572	3.0
251.16380	4.6
253.14304	1.7
255.15927	47.8
257.19064	9.0
258.91531	1.7
267.15900	2.1
269.17499	100.0
275.20050	28.4
293.21149	3.4
321.80707	1.7
339.17969	4.8
349.23740	59.7
367.24832	19.1
413.21637	2.7
564.28448	3.6
567.15887	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	564.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
53.09777	1.0
54.13681	1.0
55.01877	5.5
55.05262	1.8
55.05509	17.5
57.03439	15.8
57.07067	1.8
61.02930	5.0
65.03941	1.4
65.19302	1.0
67.05507	53.7
69.03430	6.6
69.06728	1.8
69.07070	22.5
70.06586	1.1
71.04993	4.6
71.53596	1.0
73.02910	1.7
79.05013	1.2
79.05493	36.1
81.03423	7.9
81.07058	58.1
83.04982	8.5
83.08202	1.3
83.08629	12.2
85.02902	7.0
85.06540	4.3
87.04467	1.3
89.04296	1.0
91.03977	2.5
91.05485	27.7
93.07045	48.2
95.04988	7.6
95.08609	23.1
97.02906	5.0
97.06532	13.5
97.10173	7.2
99.04448	2.7
99.08105	3.1
103.03966	1.3
103.05469	1.1
105.07034	22.4
107.04983	5.9
107.08598	29.6
109.02908	2.2
109.06535	3.4
109.10155	11.8
111.04442	2.1
111.08082	5.3
113.09628	1.3
117.07024	12.8
119.08593	15.8
121.06492	4.0
121.10134	16.8
123.08080	2.4
123.11700	3.5
125.09610	4.0
127.03916	2.7
128.06181	1.0
129.05443	1.1
129.07011	3.3
131.08578	14.6
133.10127	19.0
135.08084	2.5
135.11693	18.0
137.09624	2.4
139.11188	1.9
141.06931	1.1
143.08549	2.7
145.10124	12.7
147.11694	8.9
149.09624	9.0
149.13263	16.9
151.11192	2.5
155.08568	1.8
157.10133	2.9
159.11702	23.6
161.13208	5.4
163.11185	7.3
165.09027	1.2
165.12775	2.2
171.10289	1.4
171.11684	2.3
173.13249	4.5
175.11285	1.0
177.12753	22.8
179.14313	8.8
181.12212	2.5
183.11716	2.1
187.14844	1.6
195.13809	7.8
197.13266	1.8
213.14952	1.1
219.13820	1.3
227.12798	2.5
229.14325	1.8
229.19585	2.2
233.15479	1.5
239.18001	3.5
245.13788	1.0
247.20619	1.2
251.16425	5.4
255.15909	42.2
257.19040	8.2
267.16077	1.3
269.17484	100.0
275.20053	18.9
293.21057	1.4
309.20679	1.7
315.09476	1.1
331.22763	1.2
339.18173	1.3
349.23758	47.3
367.24799	21.3
413.21814	2.7
511.29080	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	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
55.01874	8.4
55.05516	17.4
57.03436	15.8
57.07058	1.7
61.02943	7.3
65.03950	2.8
67.05506	53.5
69.03431	9.1
69.07070	27.7
69.33139	11.4
71.01347	1.8
71.04990	5.7
73.02918	2.3
79.05496	45.3
81.03426	10.8
81.07059	70.3
83.04989	14.4
83.08626	12.2
85.02900	9.4
85.06544	4.7
89.92236	1.3
91.03959	2.2
91.05485	35.0
93.07050	54.1
93.07640	2.7
95.04970	8.0
95.08606	28.8
95.27073	1.3
97.02894	6.0
97.06533	19.0
97.10173	6.3
99.04435	1.8
99.08071	3.8
103.03976	2.7
103.05487	1.6
105.07037	25.7
106.09960	1.4
107.04957	10.1
107.08595	33.4
109.02892	2.4
109.06528	5.2
109.10158	10.1
111.04427	2.4
111.08128	6.7
117.07024	15.7
119.08579	17.9
121.06521	3.2
121.10150	20.5
123.08093	3.9
123.11692	4.3
125.09664	4.7
127.03880	2.5
128.06250	1.6
129.05475	1.8
129.07028	4.1
129.40950	1.3
131.08562	17.9
133.10136	22.3
135.08057	3.8
135.11694	21.8
136.31963	1.2
137.09621	2.3
141.07074	1.4
143.08559	3.7
145.10153	17.6
147.11684	10.1
149.09628	11.6
149.13248	18.7
151.11211	1.8
157.10138	3.0
159.11696	26.5
161.13293	7.7
163.11179	10.9
171.10254	2.0
171.11671	3.4
173.04517	1.8
173.13283	8.1
177.12750	26.2
179.14346	8.9
183.11812	1.9
189.11234	2.5
195.13780	7.1
197.13243	2.0
201.62408	1.5
227.12776	2.5
239.17940	3.7
247.20589	2.9
251.16518	5.8
255.15929	43.5
257.18994	8.7
257.28378	1.7
269.17484	100.0
275.20102	26.3
309.20612	1.7
349.23749	64.6
367.24814	24.8
389.17981	1.7
413.21625	2.9
422.77032	1.4
511.29010	2.4
519.57825	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.8
55.05519	22.3
57.07065	9.4
60.19358	3.3
61.36137	2.9
67.05506	41.2
69.07074	30.7
69.89634	15.5
71.04937	3.2
71.08622	4.0
76.89312	3.1
79.05497	33.7
81.07063	93.3
83.08630	15.8
91.05483	42.4
93.07045	65.9
95.04974	14.2
95.08614	79.7
97.06553	5.1
97.10152	4.0
99.04378	3.3
105.07037	91.1
107.08604	74.5
109.05817	5.0
109.06526	59.3
109.10166	65.3
111.08063	12.1
111.11748	3.8
113.06013	16.5
115.05380	3.9
117.07014	13.3
119.08590	86.0
121.06516	39.2
121.10148	61.4
123.08036	18.4
123.11707	38.8
128.06227	4.6
129.06995	9.0
131.08598	40.1
133.06480	4.4
133.10139	59.1
135.08054	15.3
135.11700	37.4
137.09596	7.6
137.13275	10.4
142.07755	5.9
143.08580	27.7
144.09425	5.5
145.10126	60.6
147.08064	9.5
147.11700	50.6
149.09624	6.6
149.13286	29.0
151.07584	7.5
155.07108	5.8
155.08528	5.3
157.10132	33.8
159.08092	6.1
159.10454	5.1
159.11719	58.6
161.09624	10.0
161.13274	38.9
163.11163	5.3
163.14755	19.0
165.09132	6.5
169.10138	12.2
171.11694	23.1
173.09694	5.1
173.13283	35.0
175.11192	8.0
175.14822	22.1
177.16412	11.7
182.10953	3.5
183.11711	11.6
185.09668	4.9
185.13263	23.2
187.11151	10.5
187.14833	21.6
189.12755	7.3
189.16386	18.9
191.17969	10.2
195.11714	4.6
197.13261	10.3
199.11136	5.0
199.14888	17.0
201.16412	22.8
203.17986	35.4
205.12312	4.7
205.19411	4.1
209.13269	6.3
211.14816	11.2
213.16457	18.7
215.14427	5.7
215.17960	26.9
217.15964	3.6
217.19525	9.3
223.14839	4.8
225.16374	9.1
227.14334	7.9
227.18005	13.2
229.19478	17.0
231.21176	18.1
239.17873	7.2
241.19371	4.3
243.21056	6.9
245.15387	5.0
245.22758	6.7
253.19588	5.2
255.21019	11.9
257.22751	8.2
259.24094	6.9
267.21094	4.2
269.19662	3.9
269.22739	9.4
273.18698	4.1
281.19128	3.7
281.22589	6.0
283.20761	5.8
283.24246	14.1
323.27444	3.5
351.30417	8.6
382.20782	6.4
382.71014	11.8
447.36340	97.8
473.37717	9.9
485.37842	25.5
503.38889	32.8
521.39905	94.0
545.40070	31.2
561.57306	3.3
563.41003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	13.7
67.05186	1.7
67.05494	8.7
67.88880	1.6
69.03423	4.0
69.07090	8.5
71.05001	3.0
71.53399	2.6
79.05486	5.4
81.07057	23.8
83.04980	6.8
83.08622	3.9
85.02905	6.3
85.06534	3.8
91.05496	5.7
93.07045	11.3
95.04964	2.7
95.08604	17.1
96.51823	1.3
97.02918	3.9
97.06535	5.4
97.10178	34.1
99.04437	3.2
105.07029	21.0
107.08585	16.6
107.92838	1.6
109.06529	9.1
109.10156	9.7
111.08047	2.0
111.11709	2.4
119.08597	14.3
121.06535	1.7
121.10142	17.5
123.08083	11.3
123.11700	13.0
123.86538	1.4
125.09642	8.6
127.07585	2.8
131.08588	2.7
133.10114	7.0
135.08092	2.1
135.11707	6.4
137.09630	6.2
137.13249	1.8
139.03828	1.8
139.11192	8.6
143.10658	9.8
145.10150	7.5
147.11691	43.6
149.09645	9.2
149.13260	5.5
151.07617	2.1
151.11189	3.7
157.10075	2.0
157.12299	2.0
159.11714	6.7
161.13264	11.5
163.11157	3.9
163.14839	1.9
165.09213	2.7
165.12772	23.5
171.11732	2.4
173.13301	2.9
175.11197	4.8
175.14835	3.0
177.12805	6.3
179.14331	4.3
185.13301	2.0
187.11258	1.9
189.12807	2.6
191.10869	2.3
193.12251	28.6
195.13840	2.7
197.13322	1.8
205.12297	3.1
207.13799	7.4
211.13260	2.5
215.14362	2.3
229.14363	27.0
237.14859	2.1
243.15959	12.8
251.16463	2.1
267.21109	3.7
285.22107	4.8
295.20535	3.5
303.05139	2.2
303.23331	10.8
305.24875	4.3
313.21680	15.3
321.24188	12.9
331.22711	62.0
336.21652	1.4
349.23752	60.4
367.24811	100.0
367.72296	1.6
385.25903	6.0
471.61951	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.2
55.01873	2.6
55.05509	26.5
57.07080	4.2
67.05513	49.0
69.03424	2.7
69.07076	24.2
71.05006	7.1
71.08614	2.8
71.52505	3.3
79.05501	47.9
81.07063	100.0
83.04993	3.4
83.08640	19.0
85.06554	4.9
91.05493	39.9
93.07051	76.4
94.07393	2.1
95.04987	16.8
95.08616	90.4
97.06556	8.5
97.10184	11.7
99.04460	3.8
100.39752	2.3
105.07039	90.1
107.08601	89.3
108.08885	2.3
109.06525	39.5
109.10163	45.0
111.08125	8.3
113.06026	7.2
115.05518	3.0
117.07032	15.6
119.08590	72.8
121.06512	28.7
121.10149	71.9
122.10493	2.4
123.08113	13.4
123.11724	25.9
125.09625	2.5
128.06236	4.0
129.07068	11.4
130.07849	2.6
131.08585	37.9
133.06522	2.5
133.10147	48.4
135.08051	13.4
135.11694	39.7
137.09683	6.2
137.13304	4.6
142.07825	3.9
143.08557	21.2
144.09335	3.1
145.10138	47.3
147.08090	8.3
147.11699	47.0
147.12785	2.8
149.09700	7.3
149.13269	32.0
151.07545	3.6
151.11159	2.7
153.09180	2.4
155.07106	7.8
155.08614	9.5
156.09436	3.4
157.10133	24.0
157.11116	2.0
158.10876	2.7
159.08089	5.2
159.11710	56.8
159.13031	2.8
161.09703	9.9
161.13257	38.8
163.11243	3.5
163.14861	17.8
165.12762	2.2
169.10173	5.2
171.11726	21.8
172.12463	2.7
173.09671	5.0
173.13287	33.3
175.11353	4.7
175.14867	21.3
177.16391	16.1
181.12416	2.2
183.11740	9.3
185.13318	17.0
187.11258	6.4
187.14845	25.2
189.11290	3.0
189.12836	6.2
189.16418	14.8
195.11699	3.5
197.13388	7.5
199.14824	14.1
201.12816	2.6
201.16377	11.7
203.14351	3.5
203.17978	11.4
209.13333	4.9
211.14818	10.1
213.16437	15.4
215.14537	3.1
215.17970	29.2
217.15985	2.6
217.19568	6.5
223.14928	3.7
225.16495	5.6
227.18069	8.8
229.16064	3.4
229.19438	10.2
231.21071	12.5
237.16498	2.8
239.18150	3.1
241.19637	7.3
243.21204	5.1
253.19655	5.1
255.21208	5.2
257.19119	4.5
261.22256	2.2
267.21146	2.9
269.19583	2.3
269.22766	9.6
273.18805	4.7
276.20496	2.2
277.21661	2.9
281.22778	4.1
283.24176	21.8
285.17178	3.2
285.22461	2.7
295.20648	2.4
313.21863	3.6
323.23566	2.5
331.22870	3.8
335.26053	2.6
343.22891	2.5
382.71225	4.7
447.36374	34.6
447.42221	3.5
470.32153	7.4
473.38345	4.4
485.37869	14.3
503.38815	18.3
521.40051	34.6
527.37744	4.9
528.36896	3.1
545.39154	24.2
563.41077	79.9
570.85022	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	563.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04954	2.6
53.03944	5.9
54.27158	2.3
55.01865	4.9
55.05515	28.0
57.03426	11.5
57.07056	3.6
57.81131	2.6
65.03936	3.1
67.05505	86.9
69.07063	21.6
71.04969	7.7
71.26934	4.0
74.09058	2.9
79.05077	3.1
79.05497	45.4
80.96429	2.5
81.03422	30.1
81.07063	89.6
83.04974	15.1
83.08617	20.5
85.02888	8.7
85.06538	3.8
91.05487	48.3
93.07047	55.5
93.44274	3.6
95.04974	14.3
95.08609	55.6
97.06541	7.8
97.10162	16.8
99.08091	6.2
99.49433	2.6
105.07029	42.3
107.04950	3.6
107.07896	3.7
107.08595	36.9
107.21423	2.6
109.06565	3.3
109.10155	32.6
111.04439	4.5
111.08079	9.4
113.09618	3.7
117.07034	12.2
118.77487	3.2
119.08594	34.7
121.10131	23.7
123.08068	3.5
123.11712	16.7
123.64871	2.6
125.09627	8.6
125.70126	2.6
129.07016	12.9
131.08588	29.4
133.10147	30.4
135.11699	22.1
137.09602	3.0
143.08571	7.7
145.10107	20.8
147.08081	2.6
147.11722	21.9
149.09613	5.8
149.13228	9.1
153.12798	3.8
155.08539	6.3
157.10161	18.6
159.11728	19.8
161.13260	8.7
163.11206	6.4
165.12733	4.4
169.10184	4.5
171.11679	7.1
173.13274	10.2
175.11165	8.2
175.14853	5.2
179.14149	3.3
181.12262	3.8
183.11671	5.9
185.13206	4.8
187.14890	7.0
189.11208	7.7
193.12292	19.9
197.13258	4.6
199.14818	3.2
201.16290	4.0
211.13289	37.0
211.15024	4.3
211.64055	2.7
213.16360	5.2
227.12823	6.9
229.14267	6.4
257.15411	2.6
261.22131	12.4
267.15720	4.7
267.21893	3.0
267.86725	2.8
269.17606	3.7
277.21732	3.3
279.23111	3.3
283.15085	3.1
285.17065	18.4
301.25165	5.3
303.23257	6.7
317.24637	6.8
335.25821	27.1
377.27100	3.6
391.28638	2.9
417.31601	4.3
435.32376	7.5
453.33405	12.1
460.02521	2.6
471.34415	8.8
473.32660	5.2
487.34360	4.6
527.37451	37.6
542.05548	3.0
545.38367	100.0
546.38367	3.4
563.39459	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.0
55.01864	6.5
55.05275	2.6
55.05515	37.4
57.03432	10.4
57.07066	4.2
59.04991	2.6
59.09221	1.7
65.03923	3.5
67.05506	81.8
69.03447	4.4
69.07068	20.3
71.04985	8.3
79.05492	49.4
81.03419	28.1
81.07057	84.6
83.04977	7.4
83.08625	24.0
85.02900	9.4
85.06535	5.4
91.04910	3.4
91.05479	52.6
91.06022	4.1
93.07045	57.5
95.04961	15.2
95.08612	51.0
95.09138	1.2
96.22855	1.8
97.06544	11.7
97.09634	2.0
97.10154	11.7
99.08087	4.9
105.07031	50.0
107.04958	5.4
107.08595	39.9
109.06514	5.9
109.10157	27.9
111.04459	5.0
111.08072	8.4
113.09650	2.2
115.05475	2.2
117.07039	14.5
119.08573	33.4
121.10144	28.5
123.08098	6.1
123.11688	11.3
125.09647	10.4
128.06207	2.3
129.07005	14.5
131.08545	27.3
133.10135	24.1
135.08086	2.4
135.11679	20.0
139.11220	3.0
142.07874	3.5
143.08545	9.2
145.10110	22.0
147.08034	4.3
147.11694	19.5
149.09613	5.7
149.13246	7.9
151.11220	2.7
153.12744	3.3
155.08549	3.6
157.10114	11.6
159.11674	14.7
161.13257	8.7
163.11200	4.6
163.14833	5.4
165.12836	2.4
168.13895	2.1
169.10112	5.7
171.10373	2.4
171.11740	5.5
173.11856	3.9
173.13196	11.9
173.82718	2.0
175.11205	6.1
175.14845	4.4
179.14378	2.5
181.12222	2.6
183.11707	5.5
185.13211	6.3
187.14825	6.2
189.11250	4.5
189.12744	2.1
189.16406	2.2
191.10667	2.1
193.12227	24.1
195.11690	2.4
197.13344	2.1
199.14890	4.5
203.14362	2.2
205.15862	2.1
209.13251	2.4
211.13268	27.6
213.16516	2.7
223.14911	3.0
227.12796	8.2
229.14352	5.7
243.21306	2.2
261.18420	2.3
261.22150	13.4
267.15909	5.0
269.17355	3.3
277.21719	3.5
279.23196	3.9
283.15436	2.5
285.16928	19.6
285.21957	3.8
301.25073	2.9
303.23166	6.8
317.24744	5.5
335.25800	31.7
359.25632	4.3
362.27509	1.9
373.27649	2.2
417.31470	3.2
435.32413	9.2
453.33585	11.3
471.34738	8.3
473.32718	5.2
487.33997	3.7
489.36014	2.1
509.35840	2.8
527.37427	35.7
545.38348	100.0
563.39294	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01870	7.5
55.05513	37.0
57.03444	13.6
57.07071	5.6
59.05021	3.3
65.03929	4.5
65.82012	2.4
67.05509	85.3
69.03446	3.0
69.07075	25.1
71.04981	7.5
71.43025	3.1
73.63345	2.3
76.63908	2.5
79.05064	4.4
79.05500	54.0
80.49188	2.7
81.03419	29.0
81.07061	96.2
83.04967	14.3
83.08618	22.1
85.02909	6.4
85.06543	4.7
91.05484	49.3
93.07049	61.6
95.04983	16.3
95.08614	55.7
97.06529	8.6
97.10165	18.9
99.08102	5.0
105.07037	44.8
107.04938	4.6
107.08604	45.1
109.06529	7.7
109.10163	36.3
111.04467	5.5
111.08099	8.3
111.11750	2.8
115.05424	4.1
117.07031	15.3
117.31976	2.4
119.08580	38.1
121.06525	3.3
121.10165	28.0
123.08115	5.5
123.11697	11.4
125.09622	14.1
129.07054	14.5
131.08577	34.9
133.10144	29.4
135.08064	6.0
135.11728	16.2
137.09612	3.7
139.11180	3.6
141.06984	3.4
143.08540	12.4
145.10135	29.9
147.08150	2.6
147.11708	24.1
149.09627	4.4
149.13287	10.2
151.11230	3.3
153.12656	3.4
154.57829	2.6
155.08571	6.5
157.10162	14.2
159.11716	20.6
161.09633	2.6
161.13272	9.8
163.11252	6.2
163.14865	4.3
169.10143	7.0
171.11659	11.5
173.13222	16.7
175.11215	7.9
175.14876	5.8
177.12721	2.9
181.12289	5.2
185.13269	8.8
187.11131	4.5
187.14868	7.9
189.11223	7.6
193.12245	19.3
197.13234	7.0
197.71365	2.5
199.14825	4.2
201.16402	2.7
203.17921	2.6
209.13245	3.6
211.13240	27.9
211.14943	4.0
213.16373	3.5
227.12817	10.9
229.14417	7.1
243.21147	3.0
245.18942	3.9
261.22192	9.9
267.15952	6.8
285.17105	13.4
285.22067	3.9
301.25259	3.9
303.23172	6.9
317.24792	3.1
335.25937	19.0
359.25861	4.4
417.31393	3.0
435.32590	10.4
440.26514	3.2
453.33502	10.4
471.34955	12.8
473.33029	2.7
487.34177	5.8
489.35751	3.9
509.35968	3.5
513.35388	2.5
527.37402	40.6
545.38348	100.0
563.39575	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.2
55.01865	8.0
55.05518	34.7
57.03430	9.5
63.48944	2.5
65.03930	4.4
66.14790	2.5
67.05511	87.2
69.07071	27.1
69.15693	28.0
71.04996	7.4
74.78519	2.2
79.05067	4.5
79.05499	50.9
81.03433	20.9
81.07066	100.0
81.73383	2.5
83.05003	15.9
83.08628	26.6
85.02923	5.8
85.06551	3.5
91.05489	48.2
93.07056	62.7
95.04961	14.2
95.08618	68.5
97.06538	9.5
97.10178	16.1
98.20642	2.5
98.27642	2.6
99.08109	2.8
105.07039	57.7
107.04969	6.1
107.08609	47.9
109.06532	10.6
109.10156	36.0
111.04440	8.3
111.08101	9.9
113.06040	3.0
117.07034	15.5
119.08595	45.1
121.06543	8.2
121.10165	33.2
123.08078	9.2
123.11716	19.1
125.09632	10.2
127.93713	2.3
129.07011	10.5
131.08591	32.1
133.10144	34.7
135.08096	6.6
135.11705	21.2
137.09642	4.0
137.13277	3.3
141.07053	2.5
143.08572	10.7
145.10152	27.7
147.11703	25.3
149.09602	6.1
149.13248	16.5
151.11279	3.4
155.07172	2.8
155.08559	5.8
157.10146	16.1
159.11694	21.9
161.09708	3.3
161.13301	15.3
163.11186	3.0
163.14822	3.0
169.10159	6.3
171.11638	12.7
173.13310	17.6
175.11259	5.5
175.14821	9.4
177.12836	3.7
177.16409	4.9
181.10086	3.3
181.12236	3.6
183.11734	7.6
185.13249	10.1
187.14861	8.3
189.11296	5.7
189.16391	3.5
191.10648	2.6
191.84148	2.8
193.12270	14.5
197.13332	6.6
199.14853	5.8
201.16409	4.8
209.13397	3.8
211.13289	23.0
211.14995	3.7
213.16380	2.9
215.17892	6.0
219.91901	2.5
221.92421	2.3
225.16585	2.6
227.12807	8.1
229.14362	5.8
231.20972	4.0
237.16525	3.1
243.21181	2.7
249.18785	2.8
261.22263	14.2
267.16147	5.7
269.17484	2.6
279.23166	5.1
283.24136	2.8
285.16870	14.1
285.22043	6.0
301.25244	3.7
303.23303	6.2
311.23724	4.0
317.24667	5.4
335.25943	24.1
359.26080	4.7
373.27112	3.3
435.32654	11.2
447.36401	7.8
453.34003	15.9
453.39343	2.5
471.35022	11.6
473.33002	3.3
487.34308	2.5
489.35986	3.4
503.38934	3.8
509.35684	3.6
521.39874	6.7
527.37280	38.6
542.35822	2.5
545.38446	90.1
546.38306	2.6
563.39630	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35411	1.3
53.03939	3.2
55.05516	17.9
57.03434	8.9
57.07074	4.0
57.49562	1.3
59.05002	1.9
65.03931	2.7
65.86622	1.4
66.92230	1.2
67.05509	62.4
69.07068	20.6
70.37563	1.2
70.58018	3.8
71.04989	3.8
72.00735	1.3
79.05499	41.1
81.07060	100.0
83.04985	5.2
83.08617	10.3
85.06543	6.6
91.05487	35.3
93.07045	39.2
93.07632	2.1
95.04961	4.4
95.08614	50.3
97.06541	7.3
97.10178	2.6
99.08078	3.2
101.06030	2.5
105.07037	38.2
107.08601	28.4
109.06544	7.1
109.10159	19.8
111.08074	2.7
117.07015	7.5
119.08585	30.7
121.09325	2.6
121.10152	32.9
123.08064	4.6
123.11720	28.2
125.09613	2.1
127.07502	3.3
129.07004	1.4
131.08582	12.1
133.10138	11.9
135.11719	11.5
137.09657	1.9
137.13249	5.4
143.08537	2.1
143.93939	1.3
145.10135	9.2
147.11696	51.9
149.09595	1.6
149.13274	9.0
155.08679	1.4
157.10092	3.0
159.11728	6.4
161.13287	4.6
163.14824	3.7
165.12761	20.7
171.11755	2.1
173.13269	5.8
175.11241	2.9
175.14755	2.2
183.13818	4.8
187.14809	3.6
193.12274	2.4
201.16521	1.5
229.14380	7.1
243.21031	6.7
261.22162	30.6
267.15939	37.5
279.23193	5.0
285.16968	46.8
291.11719	1.4
317.24887	7.3
335.25833	44.7
353.26889	3.7
453.33316	3.3
471.34491	3.8
527.37598	6.4
545.38391	29.9
563.39575	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	562.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.0
55.05516	8.2
57.03441	11.9
59.77876	1.1
65.89637	1.1
67.05510	17.4
67.77909	1.2
69.03413	2.5
69.07059	4.3
69.42646	9.4
71.04993	2.5
74.01964	1.1
78.58277	1.0
79.05499	18.1
81.03423	76.8
81.07061	18.9
83.04993	7.8
83.08624	20.1
85.02912	11.2
91.05487	17.7
93.07054	14.2
95.04976	22.7
95.08612	8.5
97.02923	2.3
97.06516	2.4
97.10164	3.7
99.08062	1.6
105.07031	18.4
107.04968	7.4
107.08590	6.9
109.06509	3.5
109.10137	3.4
111.04478	1.7
111.08087	6.7
113.06017	2.3
117.07036	2.0
119.08585	16.3
121.06507	2.8
121.10153	7.7
123.08058	2.5
125.09612	2.9
129.07014	10.8
131.08559	11.4
133.06482	4.6
133.10150	8.7
135.55917	1.2
137.09683	1.9
142.07776	2.3
145.06500	3.5
145.10153	1.8
147.08073	4.8
147.11708	10.3
149.09659	6.6
156.73184	1.3
157.10133	13.5
165.12733	2.0
175.11172	10.9
183.32416	1.4
187.11214	1.2
193.10437	2.2
193.12251	33.1
211.13298	17.0
229.14243	2.0
233.15312	1.4
249.14890	2.3
267.15930	100.0
273.14990	3.1
285.16974	21.3
336.93106	1.3
349.21539	2.4
355.28458	1.9
367.22702	10.2
370.75912	1.2
385.23795	10.4
403.24756	3.2
433.25909	9.1
441.26175	4.5
459.27472	51.0
477.28525	42.1
562.38208	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.2
55.01863	5.2
55.05515	28.6
57.03442	9.3
57.07069	4.6
59.90253	1.8
65.03925	5.8
67.05511	86.7
69.03430	3.3
69.07079	22.3
70.56999	3.6
70.57367	3.2
71.04998	36.3
71.08605	2.0
73.06596	1.6
77.03925	3.0
79.05499	70.8
81.03414	6.7
81.07065	100.0
83.04990	10.1
83.08608	16.0
83.62823	1.9
85.06534	5.3
91.05490	52.8
93.07054	75.6
93.07642	4.4
95.04965	12.0
95.08615	53.9
97.02869	2.6
97.06555	10.8
97.10177	5.5
99.08104	2.1
103.05431	2.5
105.06401	2.8
105.07043	38.3
107.04952	4.9
107.08598	46.5
109.06511	3.9
109.10170	21.4
111.08094	3.5
113.59494	1.9
117.07022	13.1
119.08591	21.6
121.06499	5.8
121.10159	26.2
123.08051	3.5
123.11716	13.9
125.09623	3.8
129.06975	3.8
131.08589	22.3
133.10144	30.2
135.08060	2.2
135.11703	26.8
143.08595	6.2
145.10127	19.2
147.11714	12.4
149.09624	4.8
149.13268	11.9
151.11224	11.2
157.10155	5.8
159.11710	16.2
161.13232	6.7
163.11185	15.8
163.14925	1.9
169.10130	3.4
171.11652	2.8
173.13303	5.4
177.12779	5.4
179.14349	4.2
183.13786	8.6
185.13275	4.9
187.13266	2.6
187.14839	3.2
195.11884	2.0
195.13814	5.6
227.12799	29.5
227.16344	2.3
253.18185	2.0
261.22122	9.1
267.15997	2.3
269.17368	3.2
275.20184	3.7
283.15323	14.0
285.16995	2.3
291.19427	4.1
317.24911	3.4
335.25919	26.3
349.23758	3.9
358.55585	2.0
363.25650	2.3
419.33051	2.6
429.29684	2.0
437.34219	5.1
445.65881	1.9
463.30435	3.2
511.37897	2.0
517.39142	16.7
529.38916	30.9
543.36780	24.0
561.41748	66.3
562.42224	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	562.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.5
55.05510	15.2
57.03443	9.4
57.07057	2.8
61.02941	2.6
65.03938	1.9
67.05508	40.7
68.94810	1.5
69.03426	6.0
69.07072	17.9
71.04982	4.4
71.53407	2.7
72.01579	1.7
79.05495	27.9
81.03423	28.0
81.07056	48.2
83.04977	9.1
83.08630	13.7
85.02908	6.7
85.06538	4.2
89.06023	7.5
91.05482	39.7
93.07052	27.1
95.04967	19.7
95.08614	13.7
97.02879	2.2
97.06518	4.8
97.10171	4.4
98.94845	1.8
99.04456	3.4
105.07036	34.5
107.04952	6.5
107.08601	25.8
109.06495	5.1
109.10160	36.4
111.08070	4.8
113.05951	1.8
117.07011	5.3
119.08582	13.2
120.08866	2.3
121.05644	1.5
121.06473	8.1
121.10143	8.8
123.04436	3.9
123.08060	5.8
123.11703	6.0
125.09666	3.9
127.07578	2.4
129.07007	4.6
131.08601	14.7
133.06503	5.3
133.08578	4.4
133.10136	55.2
135.08049	6.8
135.11661	4.0
137.09602	3.6
143.08589	3.8
145.10136	6.4
147.08067	5.5
147.11703	4.9
149.09665	8.3
151.11185	26.6
157.10141	7.8
159.11707	2.3
161.09608	6.9
161.13274	2.2
163.11153	2.4
165.09102	3.1
169.12267	4.0
171.11726	1.8
175.11215	7.3
177.11224	1.9
193.12216	12.3
209.11728	2.0
210.36479	1.7
211.13298	7.0
215.12747	2.7
227.17950	1.9
245.18912	1.7
253.14366	88.4
263.20081	4.6
267.15884	21.5
269.14038	3.0
271.15457	14.9
273.18481	14.5
285.17062	10.5
291.19635	12.9
347.22092	6.7
365.23224	100.0
367.22699	2.7
383.24185	3.4
385.23642	4.1
403.23975	2.3
459.27432	14.6
464.31052	3.9
477.28439	43.1
544.36688	5.7
562.37775	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	562.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52026	0.7
50.63104	0.8
52.80807	0.7
53.03948	3.0
55.01872	2.1
55.05514	10.8
57.03182	1.3
57.03438	11.4
65.03933	1.2
67.05502	16.7
69.03420	4.2
69.07066	4.2
69.21587	4.3
69.22013	3.7
71.04999	4.0
72.99956	0.8
75.25716	0.7
79.05495	19.4
81.03419	80.3
81.07056	19.9
83.04987	10.2
83.08625	18.0
85.02911	11.2
85.06513	1.0
91.05484	22.6
93.07050	14.9
95.04971	24.2
95.08607	7.5
97.02891	2.0
97.06542	3.0
97.10164	4.7
99.08113	1.4
105.07036	17.4
106.97268	0.7
107.04969	7.7
107.08588	7.9
109.06516	4.4
109.10170	5.0
111.04456	2.4
111.08080	8.2
113.06021	1.7
115.05443	1.6
117.07019	2.6
119.08593	17.2
121.06478	4.0
121.10152	7.4
123.08065	2.1
123.11739	0.9
125.09625	2.3
128.06299	0.8
129.07011	8.8
131.04944	1.0
131.08578	11.9
133.06490	5.3
133.10130	10.3
135.08057	2.0
135.11691	1.0
137.09616	2.5
141.07005	0.9
142.07808	2.9
143.08679	1.1
145.06497	2.6
145.10124	2.0
147.08087	3.8
147.11687	9.8
149.09637	6.9
155.43350	0.9
157.06491	0.8
157.10139	13.1
159.08057	1.3
163.11150	1.3
165.12741	2.4
175.11195	11.3
187.11160	0.8
189.11212	1.4
193.12242	30.7
197.13391	1.5
198.59747	0.8
203.18036	1.3
211.13283	20.8
233.15385	1.4
237.12669	1.2
249.14821	1.4
253.14418	1.1
255.13861	1.0
267.15921	100.0
273.14899	2.4
285.16989	23.7
323.19632	0.7
339.22964	1.0
349.21695	2.7
365.23254	1.4
367.22745	10.8
385.23767	10.3
403.24774	2.7
405.24139	1.5
430.62708	0.8
433.26038	9.7
441.26138	4.7
459.27435	57.4
477.28503	44.9
477.35526	1.6
491.29553	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.6
54.80007	1.3
55.01867	3.3
55.05513	20.1
57.03437	2.7
57.07070	4.1
65.03941	4.9
66.56894	1.3
67.05505	78.4
69.03429	4.7
69.07069	16.4
71.04994	47.7
71.53550	1.1
71.53951	1.4
77.03917	1.4
79.05493	54.7
81.03419	2.3
81.07056	91.4
83.04978	10.6
83.08632	12.1
85.06507	7.0
87.31039	1.4
91.05482	58.5
93.07042	57.4
93.07639	2.5
95.04979	7.4
95.08607	36.3
95.09174	2.7
97.06525	8.3
99.08105	1.9
99.46281	1.3
105.04530	3.7
105.07029	28.1
107.04953	1.6
107.08601	26.8
109.06537	3.2
109.10172	15.0
111.08108	3.7
117.07022	9.5
119.08552	11.0
121.10148	20.5
123.08107	2.6
123.11719	17.6
125.09708	2.4
129.07018	2.7
131.08571	15.7
133.10132	26.4
133.11092	1.7
135.11693	16.1
143.77728	1.3
145.10165	6.3
147.11703	5.4
149.13269	13.2
151.11192	12.5
157.10141	2.8
159.11702	15.4
161.13312	5.9
169.12256	1.6
173.13281	4.3
177.12758	3.4
183.13815	14.1
187.13289	2.5
187.14848	1.8
195.13853	5.9
227.16460	3.2
261.22269	3.9
269.17410	3.2
283.19061	3.0
285.17191	5.1
318.25653	1.4
361.27325	2.2
363.25510	4.1
513.47925	1.5
517.38843	26.6
529.38892	13.0
543.36426	2.1
561.24518	9.0
561.41595	100.0
562.41742	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.0
55.01869	8.4
55.05519	34.4
57.03430	9.3
59.05033	2.4
63.53717	2.1
65.03938	6.0
67.05510	67.8
69.03431	5.4
69.07070	24.5
71.04988	9.6
79.05498	56.6
80.05817	3.1
81.03425	24.7
81.06589	4.4
81.07064	70.7
82.07356	3.1
83.04983	10.1
83.08625	19.0
85.02892	6.5
85.06543	2.9
91.05487	63.3
92.05800	2.7
93.07048	50.4
94.07383	3.8
95.04995	16.8
95.08614	38.4
97.06545	13.2
97.10159	16.7
98.97598	13.3
99.08110	3.1
104.15360	2.2
105.06393	4.2
105.07041	49.4
107.04945	8.9
107.08590	32.0
109.06522	7.5
109.10169	25.3
111.08083	6.6
115.05475	2.4
116.58964	2.3
116.98620	3.5
117.07022	18.3
119.08594	45.8
121.06498	5.2
121.10155	20.4
123.08072	6.6
123.11723	4.0
125.09629	14.0
128.06209	3.8
129.07045	21.5
130.72488	2.2
131.08569	45.0
133.06465	4.6
133.10147	27.9
134.10507	3.1
135.08041	4.9
135.11705	10.0
137.09605	3.6
141.06967	3.9
142.07768	5.0
143.08574	24.2
145.06448	2.8
145.10133	30.0
146.10605	3.1
147.08086	5.6
147.11673	23.8
149.09616	10.4
149.13249	2.9
152.27924	2.3
154.07780	3.0
155.08536	12.2
157.10152	20.1
158.10669	3.6
159.07980	3.6
159.11723	20.4
161.13306	14.7
163.11209	6.4
165.12816	2.4
167.08554	3.6
169.10121	13.7
171.11690	17.3
173.09656	5.6
173.13274	11.4
175.11188	6.8
175.14853	5.4
180.09204	2.4
181.10086	7.4
183.11707	10.1
185.13281	12.7
187.11269	3.5
187.14891	4.8
189.11247	7.6
193.10600	2.4
193.12302	15.3
195.11635	6.3
197.13260	6.1
199.14864	8.1
207.11757	2.6
209.13293	4.7
211.13223	18.2
211.14981	3.9
213.16359	3.2
223.14806	4.1
225.16374	3.3
226.08563	2.1
227.12666	5.3
229.14331	7.5
231.21133	2.8
241.19551	9.3
257.18893	2.6
259.20627	19.9
267.15884	8.5
269.17053	2.6
275.20081	4.6
276.20361	3.9
277.21463	3.6
285.16949	12.7
297.22226	5.6
299.23578	5.5
313.21817	2.4
315.23184	10.9
317.24664	2.9
325.21774	3.4
333.24210	17.1
339.23160	2.9
349.23520	3.0
351.24832	2.7
380.21268	4.7
380.71167	4.7
389.21936	3.0
389.26892	3.1
389.71774	6.4
390.21588	2.3
399.18744	3.7
401.22699	3.1
405.31808	2.8
415.29575	4.0
423.32755	3.8
433.31085	15.6
451.32004	17.8
459.20193	3.1
469.32953	10.7
487.34021	5.4
507.34497	3.0
515.37280	4.2
517.35272	4.5
525.35736	27.9
543.36792	100.0
560.82538	7.2
561.37885	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
55.01880	7.4
55.05517	33.6
57.03446	12.4
57.07083	3.9
59.05004	2.7
65.03941	3.2
67.05511	67.8
69.03442	2.1
69.07071	22.2
70.80332	1.2
71.05003	7.7
79.05498	48.9
81.03423	23.9
81.06586	2.8
81.07064	53.7
83.04986	8.6
83.08627	18.2
85.02921	4.6
85.06570	3.8
86.05557	1.1
91.05487	54.6
93.07053	47.9
95.04988	14.3
95.08616	36.3
97.06528	9.5
97.10166	13.8
98.21631	2.3
99.08105	1.8
103.05482	1.8
105.04515	2.2
105.07040	55.4
107.04958	5.8
107.08602	29.9
109.06511	5.7
109.10155	22.2
111.04482	1.3
111.08082	6.6
115.05479	4.9
116.06280	1.6
117.07030	24.6
119.08595	44.8
121.06551	3.9
121.10155	17.3
123.08100	4.5
123.11734	3.8
125.09649	8.7
128.06248	4.8
129.07011	23.5
130.07826	2.1
131.08586	41.7
131.44812	1.2
133.06520	2.3
133.10139	32.2
135.08107	4.5
135.11723	11.3
137.09668	2.8
139.11205	2.0
141.06953	5.8
142.07805	4.0
143.08568	22.4
143.09569	2.1
144.09334	2.1
145.06514	1.4
145.10143	30.4
147.08107	5.2
147.11697	26.1
147.12811	1.8
149.09641	6.2
149.13232	5.8
151.11240	2.7
153.07137	2.7
155.08569	13.6
156.09344	1.7
157.06535	1.3
157.10143	22.5
159.08194	1.3
159.11688	19.4
161.09662	3.0
161.13278	13.7
163.11212	4.4
163.14871	1.8
165.12842	1.3
167.08629	5.1
168.09369	1.3
169.10146	13.8
171.11702	17.8
173.09593	2.2
173.11884	2.0
173.13231	12.5
175.11252	4.2
175.14830	6.4
177.12749	1.7
179.08449	2.4
179.14468	1.9
181.10136	6.3
181.12428	1.3
183.11726	11.5
185.13301	11.2
187.11197	1.5
187.14790	6.4
189.11272	5.2
189.12706	2.7
189.16441	1.2
193.10277	2.2
193.12271	14.7
195.11763	5.3
195.13850	2.2
196.12421	1.2
197.13274	8.7
199.14784	6.0
201.12836	1.7
201.16452	2.9
203.14403	1.5
207.11751	2.6
209.13365	4.4
211.13194	16.1
211.14951	3.3
213.16447	3.3
221.13319	3.1
221.15277	1.6
223.14879	2.4
225.16492	1.6
227.12743	6.4
229.14183	5.9
231.21214	1.8
233.13347	1.7
235.14821	1.5
237.16481	2.7
241.19507	10.0
245.13721	1.6
247.14792	1.7
247.17076	1.5
257.19153	1.7
259.20605	31.2
261.22214	2.3
267.15979	6.3
275.20163	5.1
277.21771	4.3
283.15558	1.6
283.20441	1.9
285.16919	12.8
285.22003	2.1
297.22211	5.0
299.23776	4.8
301.21838	2.0
313.21741	2.9
315.23221	10.9
317.24872	1.9
327.23294	1.7
331.22598	1.6
333.24286	18.2
335.23755	2.0
351.22879	2.0
353.24719	3.3
358.57639	1.2
365.24960	1.4
371.25769	2.7
379.26123	1.3
389.27042	3.3
393.28088	1.5
405.31815	2.5
415.30142	4.0
423.32690	4.0
433.31107	12.9
451.32135	14.2
463.30984	1.9
469.33121	9.9
485.32709	1.8
487.34180	5.7
507.34747	4.2
515.37372	2.8
517.35333	3.4
525.35834	29.3
543.36835	100.0
561.37915	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	561.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19088	0.1
55.05516	0.3
55.38069	0.2
57.03428	0.3
67.01849	0.3
67.05492	0.2
68.99806	0.5
69.03429	0.9
70.53674	0.3
70.54037	0.4
71.01344	0.2
79.05500	0.2
80.27738	0.2
80.87640	0.1
81.07063	0.3
83.05001	0.2
85.02908	5.2
87.04474	1.6
91.05471	0.6
93.07043	0.4
95.01318	0.2
95.04955	0.3
96.28117	0.1
97.02903	0.8
97.06527	0.1
105.07064	0.3
109.10125	0.2
111.00800	0.2
111.04404	0.2
113.02361	2.0
115.03928	2.9
119.04954	1.7
121.02876	0.8
121.06500	0.2
121.10123	0.2
123.04439	5.2
123.11674	0.2
131.03415	1.7
133.04959	0.3
133.10115	0.1
135.04436	0.2
139.03905	2.7
141.01842	0.6
145.02867	0.5
145.10046	0.2
147.04413	0.7
147.11725	0.2
151.03894	0.4
153.01840	3.8
159.02885	1.7
163.03896	0.6
165.12723	0.2
171.02863	0.5
171.11830	0.2
217.12199	0.2
219.17480	0.2
225.05396	0.2
225.49689	0.1
227.05342	0.2
229.04984	0.4
243.06511	0.4
253.14372	0.4
271.06015	100.0
272.06302	0.7
273.06061	1.5
273.08096	0.4
291.07190	0.2
294.05463	0.2
295.06027	0.4
307.06009	0.4
308.06870	0.2
313.07031	0.3
321.07700	0.2
325.07114	0.5
337.06949	0.3
349.06982	0.3
351.08295	0.3
375.08710	0.3
381.21906	0.2
387.08878	0.2
387.18439	0.2
387.23438	0.7
399.10492	0.3
405.09705	0.3
421.09244	0.2
434.68069	0.1
439.10413	0.2
481.11108	0.5
507.12839	0.4
515.28131	0.2
525.13922	0.7
561.12628	0.2
561.30127	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	561.172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95214	0.5
63.14840	0.5
70.11740	2.1
71.07748	0.5
74.02460	0.6
81.57801	0.5
84.25716	0.5
85.35257	0.5
91.05457	1.7
98.20809	0.5
115.05448	1.3
117.05768	0.9
117.07030	1.1
118.06546	20.0
128.08942	0.6
130.06537	1.7
132.08101	6.4
142.06528	1.5
143.07307	2.4
144.07016	1.0
144.08089	13.0
146.06012	63.0
147.04411	1.5
159.09192	6.4
160.07663	0.9
163.03926	0.9
170.05978	3.3
188.07068	100.0
188.56172	0.6
189.07443	1.0
205.09723	38.9
304.19489	0.6
417.43674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	1.5
53.03940	5.3
55.01872	8.2
55.05266	2.7
55.05516	32.1
57.03441	13.7
57.07078	3.1
59.04995	2.6
61.37515	1.5
65.03942	3.0
67.05506	66.4
69.03420	3.0
69.07072	23.9
70.57331	4.7
71.04990	7.5
77.03925	1.9
79.05496	47.1
81.03420	32.0
81.07059	59.2
83.04977	9.9
83.08622	20.6
85.02911	6.7
85.06527	5.4
91.05485	55.9
93.07046	48.7
93.07628	2.7
95.04967	16.1
95.08607	38.7
97.06523	7.1
97.10175	16.4
105.07038	53.7
107.04962	8.1
107.08595	27.0
109.06529	6.6
109.10160	23.5
111.08092	7.4
113.05989	2.1
115.05427	3.3
116.06186	2.5
117.07026	25.2
119.08588	40.6
121.06493	6.8
121.10149	17.3
123.08073	3.7
123.11684	3.5
123.69705	1.5
125.09621	8.9
128.06187	3.4
129.07001	21.8
130.07880	2.5
131.08578	43.6
133.06517	2.3
133.10141	28.5
135.08022	3.3
135.11673	10.8
137.09642	2.3
141.07016	5.3
142.07779	6.2
143.08560	19.1
144.09344	1.6
145.06514	3.2
145.10139	28.7
147.08034	3.7
147.11676	23.1
149.09586	7.8
149.13268	6.0
151.11234	1.8
154.07816	2.2
155.08540	10.6
156.09364	2.7
157.10144	25.1
159.08058	3.3
159.11697	21.3
160.92413	1.5
161.09610	1.8
161.13274	16.1
163.11179	5.5
165.07024	1.8
165.12743	2.3
167.08566	3.4
168.09528	1.9
169.10121	13.1
171.11687	14.6
173.09641	3.0
173.11874	3.0
173.13232	13.3
175.11194	8.8
175.14835	5.9
179.08565	2.6
181.10121	6.8
183.11708	10.8
184.78763	1.8
185.09633	2.1
185.13243	9.5
187.14851	3.7
189.11200	4.0
189.12801	3.1
193.10423	2.8
193.12234	21.3
195.11703	8.0
195.13907	2.0
197.13258	7.4
199.14839	9.5
201.12709	1.9
201.16484	2.9
202.89615	1.7
207.11778	2.6
209.13278	5.9
211.13245	25.4
211.14980	4.2
213.12830	1.7
213.16422	4.9
221.13254	3.3
223.14821	5.2
225.16423	2.3
225.80208	1.5
227.12773	7.2
229.14372	6.1
231.21048	1.8
235.14731	2.1
239.17873	2.0
241.19591	8.3
249.16502	1.8
259.20575	25.7
267.15872	8.0
269.17459	3.0
271.17010	1.7
271.20337	1.6
275.20117	6.2
277.21689	3.0
283.15295	2.1
283.20682	2.0
285.16913	17.3
287.23483	1.9
297.22217	8.6
299.23672	6.5
313.21582	3.0
315.23187	13.5
327.23138	2.2
333.24289	17.1
339.23196	2.0
349.24048	2.0
353.25058	2.2
355.26300	1.7
371.25638	3.9
389.26666	3.0
405.31375	3.1
415.29840	5.7
423.32559	2.3
433.31018	15.1
451.32053	14.1
459.35602	1.9
463.65384	1.7
469.33139	13.3
471.31543	1.6
487.34143	4.3
499.33875	2.1
507.34528	3.8
515.37195	4.8
517.35480	3.1
525.35822	30.5
543.36829	100.0
561.29858	2.4
561.37891	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	559.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.0
54.87371	1.9
55.01860	3.0
55.05515	31.2
57.03444	11.0
57.07071	3.3
58.72815	2.0
60.05938	1.8
65.03931	5.0
67.05511	88.2
69.07081	19.8
69.78910	1.8
69.79213	10.9
71.04991	4.4
71.08642	2.0
79.05502	86.8
81.03429	9.9
81.06593	4.3
81.07066	80.7
83.04993	12.0
83.08627	11.6
85.06536	4.2
91.05490	68.1
93.07053	100.0
93.07642	5.0
95.04977	21.0
95.08614	49.6
97.06527	7.1
97.10157	4.6
105.04530	2.8
105.07043	50.8
107.04953	6.9
107.08599	33.4
109.06503	6.0
109.10158	19.6
111.08101	3.8
117.07050	14.0
119.08593	29.8
121.06490	4.5
121.10158	21.4
123.08062	6.5
123.11696	6.0
128.06224	6.0
129.07027	13.7
131.08571	16.4
133.06406	2.6
133.10153	19.0
135.11697	12.2
136.33293	2.0
137.13347	1.9
143.08585	14.2
145.10130	16.6
147.08046	2.6
147.11700	38.0
149.09554	2.2
149.13254	6.4
155.08539	3.0
157.10104	6.5
159.11703	9.0
161.09645	3.6
161.13260	13.5
163.14851	3.1
169.10127	3.5
171.11697	31.5
173.13220	5.8
175.14902	2.6
179.14301	2.6
183.11642	1.9
187.11224	2.7
189.12761	13.5
197.13281	3.2
199.14905	3.2
207.13832	25.5
243.21228	3.3
259.20627	2.2
261.22202	7.1
267.16180	1.9
273.18524	2.7
279.15857	4.4
281.17490	60.1
335.25824	67.6
417.44757	2.1
449.34528	3.2
485.35617	2.8
527.37152	6.7
541.39001	89.7
559.23541	2.5
559.39307	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	560.401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	8.2
55.15423	0.8
57.07075	1.6
57.73247	0.9
67.05526	4.7
69.07074	91.2
70.06570	2.1
73.02908	1.3
73.06553	3.0
74.09715	1.1
79.05492	1.3
81.03435	1.4
81.07050	4.3
83.08613	2.6
84.08182	1.1
87.04478	8.8
89.06039	100.0
91.05486	1.1
93.07055	2.0
95.04989	1.2
95.08595	3.5
105.07040	1.7
107.07053	4.9
107.08563	1.4
109.10135	2.8
111.11729	25.3
113.22083	1.0
117.09125	2.8
119.08616	1.5
121.10175	1.3
129.12755	4.6
130.05042	1.1
130.08641	2.3
131.07054	3.2
131.08556	1.0
133.08615	63.4
147.11740	2.0
151.09657	5.0
155.08238	1.0
161.81088	1.0
175.09656	1.3
177.03287	1.2
177.09703	1.4
177.11235	26.4
181.06172	2.7
195.12314	2.4
199.16885	1.5
203.17853	1.0
217.17982	6.1
221.13838	5.6
223.15038	1.3
229.45753	1.1
239.14938	2.8
243.19524	2.2
261.20667	7.1
265.16367	2.4
283.17639	3.4
299.19586	1.0
305.23248	2.4
309.19186	1.3
315.42270	0.9
327.20132	2.3
349.25705	2.0
371.22449	1.7
379.06003	1.2
384.11469	1.0
393.28528	1.9
415.25369	7.4
455.31860	1.3
525.36304	3.8
543.37408	22.6
560.40210	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.7
55.01870	11.7
55.05513	36.5
55.41889	1.6
57.03440	9.2
57.07077	2.1
59.05005	2.4
65.03942	3.7
67.05507	59.3
67.99740	1.9
68.43906	1.6
69.03419	6.7
69.07068	27.3
71.04992	4.6
79.05497	64.1
81.03416	50.4
81.07056	57.0
83.04546	1.6
83.04964	10.4
83.08622	25.1
85.02904	9.6
85.06552	2.7
87.97198	1.7
88.50636	1.9
91.05484	54.7
92.22998	2.2
93.07043	38.7
95.04979	25.0
95.08607	28.4
97.06534	12.3
97.10181	18.1
98.21553	3.6
99.08089	3.3
102.14795	1.7
105.07034	46.5
106.62712	2.0
107.04951	14.8
107.08594	42.1
109.06526	7.4
109.10172	19.0
111.08096	9.1
115.05447	4.3
117.07025	13.7
119.08574	32.5
121.06519	7.2
121.10160	17.5
123.08099	6.2
123.11726	7.6
125.09624	14.3
126.66219	1.7
128.06302	2.2
129.07019	11.3
131.08572	25.4
133.06444	3.4
133.10138	21.0
135.08076	7.8
135.11714	7.1
137.09695	4.4
137.26917	1.8
141.07016	3.9
142.07822	5.2
143.08536	12.3
145.06509	3.5
145.10120	26.1
147.08089	4.1
147.11687	25.3
149.09615	18.4
149.13297	2.2
151.11197	3.4
153.09161	2.5
155.08606	4.3
157.10144	13.9
159.08069	4.3
159.11685	12.2
161.09656	2.4
161.13271	6.1
163.11168	12.9
165.12793	1.8
169.10152	6.2
171.08127	2.1
171.10255	3.6
171.11729	7.6
173.09795	3.7
173.11760	2.0
173.13255	5.1
175.11261	9.9
177.12833	2.8
179.14351	5.7
181.10127	3.0
183.11734	6.9
185.09634	2.2
185.13272	5.7
187.11279	5.1
187.13292	2.0
189.11281	11.5
189.12796	3.1
193.12285	24.0
195.11728	4.4
197.13249	4.4
199.11169	2.5
199.14899	3.3
201.12732	2.9
209.13293	2.2
211.13226	20.5
215.14319	1.8
227.12715	11.5
227.53375	1.7
229.14366	2.0
229.19514	2.2
239.18155	3.2
247.20741	2.6
249.14825	2.4
257.18945	10.3
267.15927	28.3
275.20059	47.1
281.19241	2.2
285.16776	2.3
293.21146	3.6
297.22168	3.4
299.20078	6.4
313.21664	2.8
315.23331	5.7
317.21204	4.0
325.21765	1.9
349.23761	12.4
355.22632	2.7
373.23669	3.0
431.29385	3.7
447.27704	3.4
449.30560	7.2
467.31564	13.0
485.32718	5.6
523.34363	6.0
531.49310	2.0
541.35284	59.3
559.36383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84228	1.5
51.02387	2.2
51.52903	1.6
53.03954	10.3
55.01863	4.9
55.05522	28.8
57.03442	14.2
65.03940	5.4
67.05512	87.3
67.51171	1.5
69.03423	2.2
69.07080	19.9
69.28355	10.7
69.28762	3.7
69.86710	1.4
71.04980	3.8
73.06538	2.5
73.81857	1.8
77.03934	2.4
79.05499	91.4
81.03402	5.9
81.07063	81.4
83.04997	16.8
83.08630	10.4
85.06522	2.0
91.04910	2.5
91.05492	68.6
93.07053	100.0
95.04977	18.0
95.08615	54.6
97.06517	6.2
97.10153	4.0
103.05463	2.1
105.04491	3.3
105.07048	48.5
107.04947	9.6
107.08607	34.1
109.06511	7.4
109.10176	16.3
111.08094	3.4
112.47112	1.7
115.05441	2.2
117.07018	13.5
119.08603	30.3
121.06485	2.5
121.10144	17.6
123.08064	7.1
123.11684	5.3
128.06247	3.8
129.07027	21.7
131.08588	12.4
131.99989	1.5
133.10149	16.2
135.08072	2.6
135.11714	13.1
141.06924	2.0
143.08554	12.0
145.06577	2.0
145.10136	17.5
147.11707	41.1
149.13260	5.4
155.08531	2.0
157.10136	3.6
159.11694	6.2
161.09625	4.1
161.13312	15.0
163.11143	1.9
163.14806	2.1
169.10127	4.1
171.11702	28.6
173.13249	3.8
179.14333	1.8
185.13176	3.0
187.14804	1.8
189.12759	11.9
207.13802	33.2
225.14807	2.1
243.21164	3.4
259.44617	1.8
261.22171	7.3
279.15942	3.8
281.17487	55.9
317.24908	2.3
335.25803	68.3
451.39856	1.7
467.34860	3.0
485.36337	3.7
541.38995	92.2
559.39734	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	559.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.9
53.03954	9.6
55.01883	12.4
55.05269	3.2
55.05517	38.5
57.03450	10.0
57.07080	2.6
59.05015	1.7
65.03941	2.6
67.05513	66.0
67.90633	1.3
68.99808	1.3
69.03434	6.3
69.07072	27.6
70.07352	3.5
70.07763	5.1
71.05003	7.1
72.59201	1.7
79.05502	61.5
81.03432	60.4
81.07066	76.9
83.04987	10.7
83.08627	31.2
85.02914	7.7
85.06572	2.5
91.05496	56.8
93.07052	45.6
95.04975	33.1
95.08617	36.7
95.09178	2.9
96.51348	1.7
97.02923	2.6
97.06534	15.1
97.10188	18.7
98.21422	1.9
99.08122	2.3
103.05465	2.2
104.78889	1.6
105.04533	1.8
105.07041	59.8
107.04969	18.2
107.08605	45.5
107.09303	3.0
109.06528	15.9
109.10161	23.3
111.04441	3.2
111.08078	9.6
113.06016	1.4
113.09694	2.0
115.05476	3.8
117.07034	17.7
119.08593	38.2
121.06525	9.7
121.10163	17.4
123.08047	7.6
123.11714	8.0
125.09640	16.7
128.06252	3.0
129.07027	14.7
131.08583	34.7
133.06540	8.5
133.10141	29.5
135.08057	7.6
135.11708	8.1
137.09674	6.0
141.07050	5.1
142.07828	3.9
143.08575	10.6
145.06500	4.4
145.10149	27.4
147.08070	5.7
147.11711	26.8
147.12808	2.3
149.09633	16.3
149.13327	4.4
151.07509	1.7
151.11226	3.4
153.09172	2.8
155.08630	4.7
157.10179	14.6
159.11710	13.5
161.09738	2.2
161.13347	4.7
163.11185	10.2
163.14830	1.9
165.12770	6.0
167.08652	1.6
169.10188	4.9
171.08116	1.5
171.11699	9.4
173.09665	3.1
173.11876	3.4
173.13347	8.5
175.11191	11.9
177.12764	2.8
179.14377	3.8
181.10153	2.9
183.08163	2.0
183.11705	7.7
184.85754	1.5
185.13327	5.4
187.11232	3.7
187.14819	1.7
189.11281	10.8
189.12802	2.8
191.14302	2.2
193.12256	25.6
195.11858	2.0
197.13309	4.5
199.14897	2.1
203.14449	3.2
205.12431	2.7
209.13194	2.5
211.13295	18.5
213.12848	2.3
223.13252	2.0
227.12793	13.3
229.14366	1.6
229.19691	4.3
239.18040	4.4
247.20595	3.9
249.15009	2.6
257.19031	13.2
267.15912	32.0
274.17548	1.6
275.20105	57.6
281.19199	3.0
293.21231	6.3
297.22360	4.3
299.19986	9.3
313.21756	2.9
315.23328	5.4
317.21191	5.2
331.22821	2.8
349.23712	16.2
349.26868	1.5
397.22379	1.6
431.29501	3.2
439.32541	1.9
447.28006	2.3
449.30536	11.4
467.31711	15.1
485.32990	6.6
523.34399	4.4
541.35315	56.7
559.36450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.7
53.57587	2.0
55.01871	11.4
55.05515	40.2
55.40206	2.1
57.03433	13.1
57.89276	2.1
65.03926	4.8
67.05511	68.7
69.03448	4.9
69.07069	28.6
71.05011	6.1
79.05126	1.6
79.05497	57.4
81.03423	50.7
81.07063	76.4
81.29604	1.9
83.04988	9.1
83.08617	29.1
85.02922	4.8
85.06566	4.2
91.05486	56.4
93.07053	51.2
95.04973	30.9
95.08606	28.6
97.02934	2.3
97.06528	12.7
97.10163	22.8
105.07040	57.0
107.04951	14.2
107.08607	39.2
109.06536	12.0
109.10176	18.6
111.04441	3.1
111.08096	9.5
115.05486	5.0
116.06241	2.5
117.07005	19.1
117.07661	2.0
119.08592	42.3
119.09367	3.8
121.06506	13.2
121.10155	16.8
123.08095	7.1
123.11742	9.6
125.09624	17.9
125.85625	1.9
128.06248	4.9
129.06993	17.2
131.04974	2.3
131.08580	29.6
133.06557	6.4
133.10123	22.8
135.08055	8.1
135.11710	9.5
137.09668	5.1
141.06978	4.7
142.07802	4.8
143.08594	16.5
145.06517	6.0
145.10112	23.4
147.08096	4.8
147.11710	25.8
149.09636	17.7
149.10641	2.3
149.13252	4.2
151.11266	2.8
155.08591	6.6
157.10164	17.4
159.08105	4.8
159.11667	13.5
161.09668	5.3
161.13283	4.5
163.11183	10.9
165.12791	4.6
167.08597	3.6
169.10153	7.3
171.10371	2.5
171.11714	8.3
173.09668	4.9
173.11900	2.4
173.13313	7.9
175.11241	9.6
177.12770	4.1
179.14352	4.2
183.11736	5.8
185.13298	5.0
187.11259	8.3
187.14864	3.8
189.11209	17.3
189.12726	3.9
193.12251	20.7
197.13271	5.3
201.12833	2.4
203.14503	2.8
211.13333	7.1
219.17374	2.4
227.12726	17.5
233.15430	2.9
239.18092	2.7
243.15823	2.5
249.14816	2.6
257.19113	10.5
267.15973	31.7
273.18512	7.2
275.20105	49.5
281.19159	2.4
291.19614	3.7
293.21219	3.0
297.22266	6.9
299.20099	16.9
313.21609	3.2
315.23132	14.8
317.21036	5.2
347.22134	3.2
349.23734	14.6
355.22614	3.7
373.23904	7.6
385.23721	3.5
395.25906	2.9
397.22089	2.6
431.29352	5.0
447.27466	4.5
449.30756	10.3
459.27487	3.8
461.29041	6.5
467.31650	20.1
485.32803	8.1
523.34283	6.3
541.26959	4.7
541.35284	75.7
559.36383	100.0
561.36938	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	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.2
53.66878	1.3
55.01875	12.5
55.05515	31.7
57.03241	0.9
57.03444	10.1
57.07076	1.4
57.86518	1.1
59.04999	2.3
65.03930	3.4
67.05507	49.5
69.03433	3.8
69.06729	1.7
69.07070	20.2
69.39701	4.3
69.40129	4.0
71.04989	5.2
77.03912	1.2
79.05495	54.8
81.02924	1.7
81.03417	42.9
81.07060	49.2
83.04974	8.9
83.08620	25.2
83.68650	1.0
85.02907	12.4
85.06532	1.7
91.05484	55.1
93.07040	36.0
95.04972	22.5
95.08611	25.4
97.02927	2.4
97.06539	9.8
97.10177	14.9
99.08135	1.1
103.05492	2.1
105.07038	47.5
107.04967	11.2
107.08599	39.3
109.06516	9.4
109.10158	13.2
111.04449	2.1
111.08083	7.1
113.06050	2.0
115.05460	2.7
116.06281	1.6
117.07013	16.3
119.08583	32.3
121.06525	6.5
121.10146	14.7
121.10952	1.6
123.04367	1.3
123.08068	4.3
123.11722	5.4
125.09635	12.1
128.06245	2.8
129.07007	13.6
130.07835	1.4
131.08568	26.8
133.06525	5.1
133.10132	23.1
135.08047	5.4
135.11719	4.7
137.09639	3.2
141.07022	2.9
142.07765	2.3
143.08566	8.6
145.06496	2.2
145.10115	22.2
147.08073	3.5
147.11688	20.1
147.12810	1.7
149.09645	14.8
149.13249	2.6
151.11197	1.4
153.09105	2.0
155.08539	5.3
157.06482	1.2
157.10144	10.8
159.08084	2.6
159.11700	11.2
161.09666	3.5
161.13277	3.5
163.11157	7.5
165.12758	2.5
169.10123	5.6
171.08026	1.5
171.10254	2.6
171.11736	6.9
173.09564	2.1
173.11816	2.2
173.13307	4.5
175.11198	8.0
177.12749	2.0
179.14360	5.2
180.49902	1.2
183.11732	4.8
185.13254	3.8
187.11208	3.2
189.11258	6.1
189.12799	3.4
193.10551	1.0
193.12253	25.2
195.11771	2.8
197.13295	3.1
199.14700	1.3
201.12724	2.3
203.14270	1.2
205.12279	1.2
207.11707	1.5
209.13292	1.8
211.11336	1.1
211.13268	27.8
215.14360	1.8
219.13782	1.6
221.13397	1.4
223.13254	1.6
227.12738	8.3
229.14360	1.5
229.19551	2.7
231.17926	1.3
239.18037	4.1
247.20734	1.3
257.18979	11.6
267.15887	17.3
273.18530	1.9
275.20074	43.3
281.97375	1.1
291.19595	1.8
293.21304	2.0
297.22162	2.8
299.20154	4.1
313.21469	1.3
315.23187	3.6
317.21036	2.6
331.22729	3.9
347.21933	1.3
349.23730	10.4
373.23743	1.4
381.24350	1.3
413.28564	1.6
421.31232	2.3
431.29507	3.4
433.25735	2.8
449.30563	5.7
467.31635	4.6
485.32687	4.4
513.36450	1.2
523.34052	5.0
541.35229	40.6
559.36316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74940	0.5
69.79175	1.8
69.91240	0.5
91.05527	1.1
96.24896	0.6
115.05484	1.3
117.05797	0.8
117.07000	1.4
118.06552	16.5
119.04925	0.6
121.02840	0.7
130.06493	1.2
132.08127	4.9
133.93817	0.5
139.03873	0.6
139.70952	0.5
142.06532	1.8
143.07297	2.6
144.08104	11.9
145.02864	0.6
146.06021	63.2
147.04419	2.1
147.06299	0.7
155.59711	0.5
159.07950	0.8
159.09186	6.6
160.07623	0.8
163.03928	4.3
170.06015	4.6
188.07074	100.0
202.06332	0.5
205.09737	46.7
290.08887	0.6
409.08914	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.0
57.07074	7.0
57.07315	1.1
58.07392	1.0
61.02923	2.1
64.81583	1.1
69.03420	2.2
69.16206	12.7
81.03412	2.5
85.02922	9.6
88.03989	5.6
97.02872	1.4
103.03931	3.7
109.02911	2.4
121.02897	3.0
137.05940	2.0
144.06552	1.9
154.51176	1.2
161.06023	1.9
162.06209	1.2
170.34869	1.4
175.07489	1.4
177.05414	2.5
189.01828	1.9
189.05406	2.7
190.98369	1.2
196.17793	1.2
196.57234	1.4
201.05383	3.0
203.03319	1.7
207.10112	2.0
215.06987	1.6
216.07768	2.0
217.04765	1.3
227.03384	1.3
229.04982	3.1
230.05653	6.7
231.06398	1.5
231.10146	1.5
232.07236	1.9
232.11026	2.1
233.04465	1.3
239.07185	1.6
241.04901	2.7
242.05772	5.8
243.06544	4.3
244.07280	4.0
244.10837	1.5
245.11803	5.8
246.08612	1.6
247.09610	7.1
253.05098	2.0
254.05721	2.9
255.02797	2.0
255.06508	3.5
255.10249	2.1
256.07297	7.5
257.08115	2.7
258.08887	24.1
259.09680	81.2
260.06738	3.3
260.10474	6.4
261.11209	7.3
267.06400	2.0
268.07361	1.9
270.08792	2.0
271.06522	2.9
271.09665	48.3
272.06808	4.0
272.10388	10.2
273.07962	2.0
273.11230	14.8
277.10718	7.0
281.08179	2.4
281.11655	2.4
282.08929	2.6
283.06378	1.7
283.09671	5.6
283.12952	1.6
284.10455	4.7
285.07712	3.5
285.11230	27.2
286.08658	2.5
286.11923	7.8
287.09201	3.2
287.12747	3.9
289.10712	100.0
292.07608	1.4
293.11697	1.8
295.06076	2.6
296.06665	1.7
297.11212	8.4
299.09277	3.6
299.12784	15.5
300.09995	3.7
301.10745	64.9
301.14035	2.7
303.08835	1.6
303.12112	2.4
307.06055	2.8
309.07846	2.9
309.11154	4.6
310.11938	1.7
311.12732	12.4
312.09583	1.6
313.10712	35.9
313.14374	2.1
315.08987	0.9
315.12268	24.7
316.12421	1.5
317.10400	2.4
319.11819	18.9
321.11331	2.7
324.10040	2.0
325.07022	2.1
325.10712	20.6
325.14294	2.3
327.12253	9.1
329.13803	10.0
331.11813	4.7
337.07169	1.4
337.10947	6.1
339.12296	11.6
339.15912	1.8
341.10196	2.1
343.11777	56.9
349.06784	1.6
349.10779	3.7
351.12170	3.1
353.14001	4.7
355.07629	3.1
355.11798	34.3
357.13327	2.1
361.12729	1.7
365.13971	3.8
367.11832	29.5
369.13370	2.3
373.12836	39.7
379.11664	2.5
381.13266	5.2
385.12909	16.9
391.13968	36.9
393.13541	2.3
397.13818	4.5
403.08591	2.3
403.13919	25.6
409.13443	4.5
421.14960	95.6
427.14017	6.0
439.16068	24.1
445.15005	30.0
451.14029	3.0
457.14804	2.9
463.15961	17.5
469.14792	6.4
475.16049	27.7
487.16098	24.2
493.17191	11.8
505.17178	28.2
523.18225	26.3
541.20349	21.6
559.20966	7.0
579.29468	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42775	4.2
55.01867	10.9
55.05516	23.0
55.47012	5.0
55.59793	4.3
57.03432	12.7
57.07075	6.0
67.05515	40.1
69.03441	6.4
69.07059	13.0
69.29185	4.5
69.90869	20.4
70.06590	11.8
70.85257	3.9
71.04983	4.4
79.05491	33.3
80.05829	5.7
81.03429	27.3
81.07063	38.6
82.07392	6.4
83.04986	7.3
83.08614	13.4
85.06508	5.0
88.07626	14.4
91.05484	36.5
92.05813	8.0
93.07030	21.1
95.04968	16.1
95.08616	13.9
96.08904	7.4
97.06530	10.4
97.10133	9.5
98.21417	7.8
102.09151	8.0
105.07032	26.8
106.07378	5.7
107.04960	12.7
107.08604	13.6
108.08929	5.1
109.06524	16.3
109.10163	7.0
110.06841	8.3
111.08082	8.7
117.07030	14.0
119.08584	18.2
121.06536	4.3
121.10121	7.4
123.08061	6.3
125.09636	11.0
129.07040	11.3
130.07372	4.8
131.08574	13.7
133.10124	7.8
135.08073	17.3
145.06505	7.3
145.10120	11.5
146.06779	5.0
146.10400	5.7
147.11613	7.7
149.02335	33.7
149.03333	4.7
149.09613	4.6
157.10135	7.0
163.11243	6.7
173.09505	5.3
173.13219	4.6
175.11159	7.8
185.13338	4.8
193.05000	29.8
193.12282	6.4
200.20071	30.1
211.13185	9.5
227.12817	7.9
235.20122	5.1
267.15918	6.1
268.16132	6.2
273.18484	12.7
274.18787	13.5
284.73895	4.5
285.16937	6.3
291.19540	6.7
292.19931	10.2
310.77896	4.2
341.06592	6.6
385.09155	36.2
448.29297	8.0
460.27863	5.5
466.30264	14.2
484.30945	6.4
495.29630	7.6
540.34320	28.7
558.26727	73.9
558.34882	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17734	1.6
53.03942	3.4
55.01870	1.8
55.05517	18.2
57.03438	23.4
57.07080	43.4
67.05508	32.7
69.03404	3.2
69.07069	13.9
70.06575	2.0
71.04983	5.7
71.08636	30.7
71.54226	2.3
79.05495	23.8
81.03425	52.4
81.07063	42.5
83.04995	14.0
83.08621	29.0
85.02491	2.1
85.02917	18.9
85.10184	18.5
89.06026	6.8
90.91384	1.6
91.05489	31.8
93.07053	14.0
95.04974	23.8
95.08058	3.0
95.08617	30.7
97.10180	8.0
99.08081	3.1
99.11765	1.7
105.07042	21.3
107.04969	7.8
107.08597	6.1
109.06498	4.5
109.10167	13.8
111.08076	6.0
119.08606	15.4
121.10175	8.1
123.08084	3.5
123.11693	3.4
129.07037	11.7
131.08545	10.0
133.06488	2.6
133.08571	3.9
133.10149	8.4
147.08064	3.1
147.11697	14.8
149.09621	5.9
157.10127	14.5
175.11186	14.6
193.12250	45.8
211.13292	63.3
256.26459	3.5
257.24649	2.0
266.96750	1.6
267.15915	20.9
284.26706	3.4
285.16983	79.5
313.27380	100.0
339.19092	3.0
340.19620	4.5
424.48422	2.1
457.85217	1.7
505.38901	16.5
523.39935	77.2
558.53503	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	558.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.05516	15.7
57.03433	10.1
57.07078	37.0
60.36177	2.6
62.55496	2.6
67.05506	26.1
68.80878	2.7
69.03416	3.6
69.07073	11.0
69.34048	24.0
71.05009	3.8
71.05623	2.7
71.08637	21.9
79.05501	15.4
81.03422	55.0
81.07063	30.4
83.04989	12.4
83.08624	24.3
85.02922	16.4
85.10185	12.0
89.05996	3.7
91.05493	19.5
93.07053	8.4
95.04979	24.4
95.08603	23.7
97.10162	4.3
98.20757	4.3
105.07036	17.3
107.08627	6.4
109.10180	9.0
111.08102	7.2
115.05470	3.4
119.08587	13.1
121.10164	9.9
123.11749	4.8
129.06967	8.0
131.08562	9.0
133.10129	3.9
135.11673	4.1
147.11693	9.4
157.10150	12.7
175.11241	11.5
193.12265	29.1
211.13292	51.7
267.15973	7.4
285.16965	42.3
313.27377	67.2
488.79456	3.1
505.38675	7.6
523.39990	100.0
558.53876	6.0
572.53064	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	557.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89111	1.2
52.93613	1.1
52.93867	1.2
53.03939	3.5
55.01864	3.3
55.05515	16.2
57.03437	6.4
57.07055	3.5
65.03935	2.8
67.05180	2.2
67.05506	32.3
69.07076	16.3
69.80411	2.2
69.80819	4.8
71.04979	2.6
79.05071	2.0
79.05497	26.5
79.67014	1.2
80.14006	1.1
81.03385	2.9
81.07056	35.7
83.04971	4.4
83.08609	8.4
85.06529	2.9
91.04912	1.8
91.05480	34.3
93.06482	1.8
93.07048	30.0
95.04958	5.6
95.08069	1.5
95.08613	22.6
97.06527	3.8
97.10149	5.4
105.07030	28.7
107.04963	3.6
107.08598	14.7
109.06510	3.5
109.09500	1.3
109.10138	8.3
111.08088	2.7
112.88167	1.3
115.05457	2.1
117.07007	16.4
119.08582	23.5
121.06529	2.6
121.10134	8.8
123.08030	2.3
123.11676	1.9
125.09616	1.9
128.06224	2.6
129.07002	13.8
130.07816	1.7
131.08580	21.4
133.06467	1.6
133.10135	13.9
135.08038	2.3
135.11684	6.4
141.06975	5.9
142.07753	2.5
143.08572	17.6
145.10136	22.3
147.11691	14.8
149.09650	2.3
149.13243	3.6
153.07047	2.2
155.08556	16.9
156.09377	1.6
157.10126	14.7
159.11703	15.2
161.09569	2.2
161.13274	6.1
163.11272	2.8
163.14864	1.8
165.07053	1.6
167.08507	7.3
168.09302	1.8
169.10133	15.6
171.11693	19.8
173.09708	2.0
173.13232	8.7
175.11143	1.4
175.14838	3.4
180.09315	1.3
181.10129	13.1
183.11694	14.3
185.13255	10.8
187.11208	1.7
187.14827	3.6
189.12715	3.4
193.10201	3.1
195.11713	11.1
197.13275	13.4
199.14818	6.0
207.11667	5.0
207.13826	6.1
209.13301	8.1
211.14793	8.3
213.16429	5.6
219.11702	1.8
221.13249	2.7
223.14874	5.1
225.16380	3.6
227.12767	1.8
227.18045	1.6
229.15959	1.3
235.14861	2.7
237.16499	2.0
239.17995	2.3
241.19516	4.3
247.16954	1.4
249.16319	1.9
251.18143	1.7
257.19046	1.5
259.20493	13.0
263.17862	1.5
275.20026	3.5
277.21570	1.5
279.15997	3.7
281.17352	7.9
287.20026	1.8
289.19467	2.0
307.20581	1.4
311.19910	1.5
323.23672	3.7
325.25140	1.5
333.24033	3.7
335.23538	1.9
341.24652	1.4
349.25394	2.2
351.23398	1.4
353.24881	2.1
397.72922	1.4
419.33234	2.7
429.31412	3.7
435.31992	1.9
437.34241	6.9
447.32693	18.1
455.35190	2.3
465.33774	20.9
483.34692	13.8
501.35721	3.0
503.35107	2.8
511.37354	2.5
521.36084	7.8
527.37402	2.5
529.38867	6.2
539.37360	100.0
540.37756	1.8
557.38647	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.8
57.03434	1.5
61.02909	2.1
69.03438	8.9
69.73235	7.6
71.04977	2.3
77.44284	1.5
79.05482	4.5
81.03418	4.1
85.02909	18.6
91.05481	12.1
93.07034	2.0
95.04961	2.1
97.02911	9.9
98.21464	1.7
99.04426	2.5
103.05474	22.1
105.07043	9.6
107.04961	23.1
109.02875	1.3
115.05432	3.5
117.07003	3.1
119.04960	11.1
121.06503	5.6
122.03620	3.8
123.08142	1.6
127.03934	7.3
129.07018	4.3
131.04939	28.4
131.08516	3.0
133.02844	6.2
133.06465	11.9
135.08038	6.8
137.05991	100.0
144.05528	1.7
145.04942	4.8
145.06502	2.2
146.07217	1.7
147.04411	13.1
147.08118	1.4
148.05190	2.4
149.06003	11.9
150.06740	1.5
151.07555	36.4
157.06471	2.6
160.05185	1.5
161.06000	52.0
161.09613	11.4
162.06770	7.7
163.07562	83.0
164.08461	1.6
165.09126	4.3
167.07152	2.4
167.08554	2.5
174.06845	2.0
175.07564	13.2
177.05447	4.4
177.09131	18.2
179.07057	17.2
179.10641	2.8
181.06702	1.4
181.06950	1.6
181.08624	11.5
189.09126	39.8
191.07011	6.7
193.08604	2.1
195.08127	3.1
195.09987	2.1
198.06500	1.2
201.09157	2.9
203.07066	4.0
203.10725	1.6
207.10181	64.9
210.06886	1.4
215.06900	2.1
219.10168	9.5
221.09816	2.5
221.11726	5.6
223.07495	3.2
225.09113	1.8
227.10745	7.6
229.08669	2.8
237.09145	1.9
245.08109	2.3
253.08620	1.8
253.12242	2.2
255.10164	6.0
257.08215	1.9
265.08536	2.6
273.11145	1.6
275.09091	2.1
281.11743	3.2
285.11215	5.7
287.12769	13.8
291.12262	4.9
297.11249	3.2
299.12701	3.2
311.12811	19.7
313.14346	20.7
323.11182	2.5
325.14328	3.3
331.15421	56.6
341.12180	1.7
343.15341	11.5
536.69714	1.4
568.63013	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01866	4.1
55.05518	18.6
57.03428	5.2
57.07071	4.2
57.82764	1.7
67.05183	2.4
67.05508	34.8
69.07068	13.3
69.14998	4.0
69.15396	17.5
71.04993	3.9
71.97582	1.6
72.08163	3.1
74.45459	1.8
79.05068	2.5
79.05497	32.6
81.03413	4.8
81.07063	43.6
83.04996	4.5
83.08617	10.5
85.06539	3.2
86.96065	1.6
89.06023	3.5
91.05486	33.1
93.07048	33.8
95.04981	6.9
95.08613	27.5
97.06514	4.6
97.10155	4.3
103.05499	2.5
105.07039	34.8
107.04953	3.1
107.08614	17.2
109.06520	3.9
109.10166	12.8
109.71947	1.9
111.08084	3.4
114.12417	1.6
115.05480	2.3
117.07037	16.8
119.08596	25.6
119.09392	3.0
121.06506	1.8
121.10151	10.7
123.08084	3.5
125.09656	2.3
128.06207	2.7
129.07008	13.6
131.08582	24.9
133.08603	2.6
133.10135	16.6
135.07988	2.0
135.11700	7.3
141.07013	5.8
143.08591	16.7
145.06470	3.1
145.10117	18.0
147.08049	2.1
147.11694	16.6
149.09657	3.4
149.13281	3.6
155.08551	17.2
156.09335	2.7
157.10133	18.9
159.11707	13.6
161.13268	9.5
165.12679	2.0
167.08571	4.4
168.09387	2.8
169.10150	19.4
171.11713	21.7
173.13315	8.9
175.11243	1.9
175.14868	2.2
181.10144	12.2
183.11691	16.3
185.13252	12.0
187.11171	2.4
187.14835	5.0
189.12798	3.6
193.10121	4.2
195.11740	9.2
197.13213	8.7
199.14854	7.0
201.16451	1.8
207.11736	3.5
207.13777	5.5
209.13318	7.3
211.14812	9.2
213.16319	8.7
219.11797	2.5
221.13263	2.7
223.14786	5.1
225.16454	3.1
233.13232	1.8
235.14845	3.5
237.16492	4.1
239.18031	2.2
241.19539	5.6
257.19077	2.2
259.20578	15.2
261.16364	2.5
279.15918	3.1
281.17355	9.4
289.25354	2.4
297.22153	1.9
313.21570	1.9
315.23038	2.1
321.22198	2.7
323.23953	2.6
333.24213	6.8
339.23019	1.9
349.25143	2.5
353.24753	3.3
389.50021	1.7
419.32880	3.4
429.31522	5.9
437.34308	10.2
447.32635	20.8
465.33719	25.4
483.34647	17.5
501.35651	2.8
511.38007	2.3
521.36157	9.7
527.36932	2.4
529.39038	6.5
539.37360	100.0
557.38342	59.9
557.51849	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	557.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03941	2.9
55.01870	2.6
55.05514	18.0
57.03445	5.2
57.07071	3.4
59.04992	0.9
65.03934	1.7
65.75669	0.7
67.05508	32.8
69.03416	1.6
69.07077	13.1
69.90524	0.8
71.04990	3.2
71.08622	1.4
71.53161	0.8
73.58862	0.7
77.03949	0.8
79.05495	31.1
81.03423	3.1
81.07062	34.2
81.95971	0.8
83.04971	4.1
83.08631	8.0
85.06549	1.6
91.05486	26.8
93.07050	31.4
95.04983	6.0
95.08617	22.7
97.06535	2.9
97.10162	3.6
99.08142	1.2
101.04099	0.6
103.05502	1.2
105.04563	1.3
105.07038	29.1
107.04936	4.6
107.08604	17.4
109.06525	1.8
109.10162	7.9
110.04834	0.6
111.08081	2.2
112.71034	0.7
115.05447	1.7
117.07029	14.3
117.58669	0.7
119.08587	22.6
121.06535	2.1
121.10154	9.4
123.08076	2.9
123.11726	1.8
125.09671	2.3
128.06203	4.5
129.05553	0.9
129.07016	15.9
131.08580	25.1
133.06514	1.6
133.10141	15.6
135.08041	2.2
135.11674	7.4
137.09647	1.7
141.06996	7.7
142.07756	4.3
143.08571	19.3
145.06557	1.6
145.10129	21.1
147.08104	1.6
147.11702	15.3
147.12814	1.2
149.09619	2.7
149.13208	3.8
151.11263	1.2
153.07117	0.9
154.07808	2.3
155.05888	0.7
155.08585	14.0
156.09373	3.1
157.10136	17.9
159.08066	1.7
159.11713	15.5
161.09650	1.8
161.13272	9.0
161.74411	0.8
163.11203	2.4
163.14862	1.4
165.07010	1.5
166.07857	1.2
167.08583	7.6
168.09354	2.4
169.10138	18.8
171.08118	2.2
171.11702	18.6
173.09634	1.9
173.13242	9.3
175.11211	2.1
175.14903	3.9
175.16273	0.7
177.12817	1.1
179.08592	2.8
181.10139	10.6
182.11006	1.7
183.11694	14.0
183.13216	1.1
184.12526	0.9
185.09697	2.1
185.13234	12.7
185.14621	1.0
187.11223	2.2
187.14880	4.0
189.12784	2.2
191.14339	1.0
193.10191	3.1
194.11006	0.9
195.11745	9.8
195.13504	1.2
197.13269	12.1
198.13884	0.8
199.14824	6.5
201.12704	1.6
201.16397	1.7
205.10213	1.0
207.11748	4.3
207.13887	4.2
209.11536	1.2
209.13298	8.5
211.14833	9.2
213.12793	1.5
213.16388	6.2
215.14444	1.0
215.17969	1.7
219.11787	1.7
219.17482	1.1
221.13261	3.9
223.14857	4.1
225.16432	3.5
227.18037	1.2
233.13289	1.7
235.14885	2.1
237.16452	3.5
239.18085	1.8
241.19501	6.3
247.14842	0.9
247.17023	2.1
249.16412	1.9
251.18126	1.9
253.19749	1.1
257.19055	2.7
259.20587	11.2
265.19739	0.8
271.16714	1.0
273.18637	0.9
279.16086	3.0
279.21262	0.9
281.17374	9.0
283.20441	0.9
293.19095	1.4
293.22461	1.1
295.20499	0.9
297.22098	1.7
299.20071	1.1
299.23773	1.4
309.22302	2.0
311.20322	0.9
311.23752	1.6
313.21677	2.1
321.22134	2.2
323.23703	2.3
325.25360	1.2
327.23154	1.4
333.24411	5.8
335.23868	2.2
339.23248	2.6
341.24850	1.1
353.24890	3.1
363.23358	1.1
365.24747	1.1
367.26306	1.0
379.26242	1.0
409.30060	0.9
419.33218	3.0
429.31439	3.9
437.34167	9.7
447.32693	20.6
465.33740	22.2
483.34882	13.4
489.29871	0.8
501.36096	4.0
502.85562	0.9
509.36646	0.8
511.38138	1.1
521.36316	9.3
525.35596	1.0
527.37506	2.5
529.38867	7.8
539.37347	100.0
540.38080	1.1
557.38464	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3472
Annotation	Revandchinone 4
Peak:m/z	Relative Intensity
53.03951	5.7
55.01875	7.9
55.05270	1.2
55.05515	21.6
57.03426	3.7
57.07060	1.3
57.51844	0.9
65.03948	1.6
67.05508	29.9
69.03435	7.4
69.07072	14.8
71.04986	2.5
71.54180	1.1
79.05499	30.9
79.26814	0.9
81.03421	38.0
81.07059	25.4
83.04999	7.4
83.08629	14.0
83.54409	1.0
85.06536	1.9
91.05485	25.2
93.07051	19.2
95.04966	16.0
95.08605	12.6
97.02911	5.1
97.06536	4.4
97.10176	12.9
103.05454	1.1
105.07037	19.5
105.07705	1.8
107.04951	11.9
107.08590	13.9
109.06517	6.7
109.10159	9.1
111.04446	1.0
111.08112	4.5
115.05501	2.4
117.07024	11.4
119.04932	2.0
119.08582	16.6
121.06516	6.8
121.10141	6.5
123.04430	1.5
123.08127	4.3
123.11726	1.7
125.09635	10.8
128.06213	1.4
129.07024	10.4
131.04979	1.2
131.08583	11.5
133.06519	6.0
133.10135	9.1
135.08073	3.9
135.11682	3.1
136.75647	0.9
137.09647	3.0
142.07828	1.3
143.07649	0.9
143.08545	5.0
145.06526	2.8
145.10126	9.4
147.08072	6.8
147.11685	4.7
149.09615	4.2
149.13240	1.1
151.11180	2.6
153.09149	2.3
155.08563	2.5
157.06564	1.1
157.10126	7.2
159.08101	3.3
159.11670	5.6
161.09659	4.4
161.13307	1.3
163.11169	2.6
167.08591	1.2
169.10139	3.5
171.08154	1.1
171.11736	3.6
173.09610	1.7
173.13187	1.7
175.11201	5.3
177.12793	1.0
181.10133	1.8
183.11737	1.7
185.09595	2.2
185.13216	1.9
187.11237	1.4
189.11198	5.4
193.12233	8.5
195.11606	1.7
197.13275	1.4
199.11121	1.2
201.12831	1.9
205.12331	2.1
219.13780	9.8
220.28365	1.0
223.13295	8.5
227.12733	8.1
233.15489	1.1
245.19104	1.5
249.14928	2.0
253.14290	1.5
255.17474	1.3
257.15271	1.3
267.15936	2.7
271.17020	1.4
273.18454	9.6
275.20374	1.2
287.20047	1.5
291.19568	40.6
295.20630	1.4
311.20038	1.3
313.18179	1.4
313.21625	9.4
315.19601	3.0
343.23019	1.1
347.22269	2.2
367.22888	0.9
367.46823	1.0
371.21915	0.9
419.29153	1.1
421.25720	1.0
445.25787	5.1
447.28787	3.6
459.27472	2.1
465.29712	6.6
483.31284	6.3
539.33740	22.3
557.34766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.9659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	4.4
71.51976	0.3
71.95272	1.3
93.22325	0.2
98.97591	74.3
111.21225	0.3
116.98631	35.5
130.93324	0.4
134.98639	0.5
134.99663	9.6
135.82761	0.2
140.00209	1.1
153.00705	0.5
154.93297	0.4
158.01283	0.3
172.94356	3.6
190.95445	3.0
197.95222	0.4
208.96538	0.7
214.27817	0.2
214.95398	3.6
214.97237	0.4
230.98355	0.3
232.96477	7.3
234.99706	0.3
241.94142	0.4
248.94406	0.3
250.97554	3.2
256.96442	20.0
258.99814	1.9
260.99609	0.2
272.94632	0.3
274.97525	100.0
275.97913	0.7
276.97888	0.5
277.00870	1.5
282.99994	0.7
284.00037	0.5
284.99780	0.2
286.99612	0.3
288.92215	0.3
288.99258	0.5
290.95673	0.6
292.98581	46.5
294.98868	0.4
297.99179	3.2
298.97824	0.9
299.97891	0.4
300.97620	0.5
301.01126	0.5
303.00830	0.6
314.95508	0.5
316.00296	0.9
316.98752	1.1
317.99048	0.3
318.98682	0.5
330.93387	0.5
332.96600	0.7
372.94504	0.3
388.92245	0.4
390.95706	0.5
398.97641	4.2
401.01205	0.3
414.95401	34.4
415.95639	0.3
416.98700	7.5
430.93515	0.3
432.96475	32.5
433.96921	0.2
434.99643	0.8
440.00034	0.3
442.98776	0.2
450.91882	0.3
450.97610	3.3
455.98138	2.3
460.00146	0.4
472.94287	1.3
486.40475	0.2
490.95920	0.3
514.95728	0.6
524.87360	0.3
540.98999	0.5
556.96552	14.6
557.96979	0.3
572.94598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
53.93938	0.5
55.01880	2.9
55.05517	8.4
57.03434	1.3
62.68145	0.5
65.03931	0.6
67.05511	11.5
69.03417	1.5
69.07072	3.3
71.04985	1.0
71.53765	0.9
72.45382	0.6
79.05076	0.8
79.05501	12.6
81.03423	21.2
81.07061	11.1
83.04971	2.2
83.08626	6.8
85.02917	0.8
86.31595	0.5
91.05482	10.2
93.07047	8.5
95.04981	9.8
95.08615	5.9
97.02933	1.0
97.06533	2.3
97.10174	6.1
98.55700	0.5
98.98486	2.6
103.05502	0.7
105.07032	9.5
106.61893	0.5
107.04968	7.5
107.08593	6.8
109.02857	0.7
109.06526	3.5
109.10143	2.9
111.04444	1.0
111.08084	2.1
113.06006	0.9
115.05451	1.2
117.07018	4.4
117.07784	0.8
119.04907	1.2
119.08602	6.5
121.06514	6.7
121.10131	2.8
123.04428	1.1
123.08058	2.7
125.09642	5.9
129.07001	5.3
131.04941	1.3
131.08580	6.5
133.06505	2.9
133.10115	2.9
135.04398	0.6
135.08075	2.9
135.11647	1.1
137.09590	1.1
138.75601	0.5
141.06990	1.4
142.07776	0.6
143.08566	2.7
145.06493	4.5
145.10118	2.2
147.04420	1.3
147.08055	2.4
147.11691	3.0
149.05951	0.6
149.09622	2.7
149.13161	0.6
153.09111	4.2
153.12785	1.0
155.01021	0.7
155.08582	2.0
157.06535	0.9
157.10139	4.5
159.08026	1.3
159.11699	1.5
161.05995	1.0
161.09616	0.9
163.11243	1.4
165.12715	0.7
167.08588	1.1
169.10150	1.3
171.08063	1.6
171.10281	0.8
171.11763	1.7
173.09566	1.3
175.11148	3.1
181.10156	0.7
183.11623	0.7
185.09642	0.8
185.13342	1.0
187.11244	1.1
189.09288	0.5
189.11237	2.7
189.12743	1.0
193.12276	14.5
195.11591	1.0
197.09621	1.1
197.13237	1.1
199.11211	1.6
205.12485	0.7
209.13242	0.9
211.11234	1.1
213.12752	1.3
215.10968	0.7
215.14377	1.2
217.12361	0.9
227.12703	3.0
231.13963	0.5
233.15356	4.2
236.70882	0.6
245.15422	1.2
247.13225	0.7
249.14873	1.9
255.13794	1.2
267.15988	1.1
273.14868	1.7
273.18268	0.7
285.91400	0.6
287.16568	0.7
325.71909	0.5
339.23224	1.3
341.21213	1.1
347.12582	1.7
349.21500	1.2
357.24335	0.9
367.22708	4.3
385.23743	9.2
403.24945	2.6
415.24854	2.9
441.26355	2.5
459.27438	100.0
460.28052	1.0
477.28607	0.9
508.63385	0.7
539.23071	0.6
557.33386	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	555.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90434	1.0
53.03944	1.7
54.79856	1.2
55.05508	6.3
57.03441	7.4
57.07077	29.4
61.39572	1.0
67.05509	10.0
69.03428	1.6
69.07070	7.3
69.53848	1.1
71.08242	1.1
71.08633	18.5
71.33088	2.2
79.05485	3.9
81.03427	7.3
81.07058	13.1
83.08625	8.6
85.10184	9.2
91.05464	2.8
91.68768	1.3
93.07030	3.2
95.08607	21.3
97.10172	4.8
98.98468	70.8
99.04463	2.4
105.07036	2.7
107.08637	1.8
109.02861	4.4
109.10141	8.8
116.99482	1.1
119.08549	1.5
121.06505	1.3
123.11697	3.6
133.04565	1.1
133.10135	1.7
137.13254	1.3
143.08592	1.4
145.10088	1.8
155.01042	100.0
159.11667	1.4
239.23715	11.1
243.02631	1.8
313.27365	67.8
317.06335	8.6
393.23956	8.8
401.28925	6.7
537.27899	3.9
555.40179	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.3
61.02927	1.1
65.03931	3.1
68.99801	6.1
69.03445	1.2
70.65017	1.6
72.30597	0.7
79.05497	0.8
81.03416	2.3
83.04970	1.4
85.02908	3.8
91.05489	2.3
93.03419	2.0
95.04951	1.5
97.02890	5.4
98.20872	0.8
107.04953	3.6
109.02871	2.2
109.07659	0.9
111.04451	3.3
115.03916	1.1
119.04953	3.7
121.02877	100.0
127.03913	0.9
133.02876	0.9
135.04407	2.9
137.02376	0.8
137.06003	1.0
138.05478	1.0
139.03909	4.5
145.06468	2.2
147.04434	3.8
149.06001	1.3
149.09482	0.7
151.03888	3.0
153.01807	3.1
159.04453	1.7
161.02332	0.8
161.05981	2.0
163.03911	19.7
163.07484	1.1
165.01839	5.2
166.05177	0.8
167.07071	0.9
167.31667	0.7
171.04436	1.0
173.02267	0.9
173.06027	2.4
174.52370	0.9
175.03908	3.9
177.01819	2.5
177.05510	2.7
179.07028	0.8
181.04959	2.0
181.08636	1.1
183.02824	1.7
187.03928	2.2
189.01839	4.1
189.05421	1.3
191.03436	3.2
193.05014	1.8
195.02939	4.1
197.05951	1.0
199.03888	1.0
199.08853	0.9
201.01813	1.5
201.05504	2.8
203.03374	4.5
205.04941	6.6
207.02922	5.3
211.08659	2.4
213.05476	1.9
215.03389	4.9
217.04999	6.7
219.02939	5.9
219.06564	0.8
221.04477	1.5
225.10260	3.5
227.03348	2.2
229.04939	6.6
229.09686	0.8
231.02919	10.5
231.06407	1.4
233.04434	3.4
235.06024	3.1
239.11787	4.0
241.04924	2.2
241.09807	0.8
243.02895	8.4
243.06554	0.9
245.04405	2.5
245.12881	6.3
247.06067	3.3
249.03964	7.3
253.07100	2.1
253.09755	2.5
255.02934	1.9
257.04422	1.6
257.12811	2.5
259.06076	2.3
261.03940	14.2
265.07101	1.3
267.05164	1.0
267.11285	6.5
268.11975	1.3
269.04507	2.2
271.06082	6.9
273.03860	4.1
279.04877	3.7
281.04471	1.5
283.05847	1.0
285.04013	4.6
285.12415	2.7
289.07129	2.0
291.04965	7.3
295.06030	3.1
295.10818	4.4
297.03876	1.9
299.05539	1.1
301.07190	3.0
301.11761	1.3
307.05548	3.7
309.06073	3.5
313.11835	27.7
315.04990	9.6
319.08191	4.2
321.07632	1.8
323.10242	1.7
325.07202	1.7
327.05057	2.2
331.12830	3.8
333.06052	6.1
337.06970	1.5
341.11292	3.2
345.06021	9.1
349.06970	4.7
359.12372	5.7
361.07053	1.3
363.07068	18.6
367.08185	2.6
373.13998	20.9
379.08136	7.3
381.08176	21.5
391.07889	1.6
391.15033	21.6
397.09204	3.9
399.08951	1.3
403.08185	0.9
409.09406	4.6
415.10141	3.0
417.09781	1.1
421.09268	1.3
427.10287	8.2
433.09351	4.0
445.11279	4.2
451.10562	4.5
463.10147	4.7
469.11194	7.3
481.11325	10.7
499.12231	6.5
517.13348	6.4
553.19617	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45770	3.2
53.03933	4.8
53.13713	3.1
55.05516	47.3
55.50590	3.0
56.52402	3.3
57.03424	5.5
57.62214	3.0
64.77115	3.3
67.05504	22.8
69.03459	16.6
69.03768	3.2
69.07075	48.1
69.68713	15.3
69.69143	5.9
71.05000	19.9
73.06582	3.0
79.05497	29.7
81.03407	5.6
81.07061	87.6
81.07533	6.0
83.04974	7.7
83.08604	8.0
85.02917	21.6
85.06546	7.0
87.32619	3.2
91.05482	17.7
93.07053	63.1
95.04964	14.8
95.08616	54.6
97.02889	7.2
97.06524	16.0
97.10173	100.0
98.20880	4.6
99.04411	4.3
105.07052	30.7
107.04952	4.4
107.08617	52.7
109.06566	4.0
109.10157	39.8
111.08105	4.0
111.11723	3.9
115.03911	4.9
117.06992	5.6
119.08591	33.1
121.06507	3.6
121.10159	69.1
123.04478	3.5
123.08068	11.3
123.11723	27.0
125.09651	18.3
127.03914	3.7
131.08556	5.6
133.05006	3.3
133.10136	20.9
135.08122	4.0
135.11684	35.9
137.09587	11.0
137.13275	4.2
139.11153	16.0
143.10652	28.4
145.10127	26.2
147.04466	5.9
147.11707	23.4
149.09634	8.0
149.13257	22.1
151.11217	9.4
153.12761	7.3
157.10172	8.8
157.12263	8.0
159.11719	11.7
161.13268	9.1
163.11221	20.9
163.14830	5.8
165.12794	12.8
171.10190	3.9
173.13225	4.8
175.11205	7.6
175.14716	4.9
177.12756	8.3
179.14328	3.7
181.12248	21.4
183.13747	3.4
185.13239	4.9
187.13228	4.7
187.14793	5.9
189.11217	9.1
191.14438	3.9
195.13873	5.8
200.81090	3.4
203.18008	4.2
205.19710	5.1
213.16338	3.7
229.14268	5.1
237.14934	4.6
257.19058	4.0
268.98904	3.4
269.86560	3.5
273.22180	11.2
275.20135	19.7
283.20599	7.6
289.21542	3.6
291.23199	15.8
293.21146	63.5
301.21619	57.5
304.05154	4.2
307.22675	10.0
314.68979	3.7
319.22684	67.8
325.16608	6.6
325.23740	19.8
337.23730	87.0
355.24756	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	552.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.05502	3.3
57.07067	1.6
59.05008	9.5
59.41845	1.1
67.05518	5.7
69.07057	4.6
69.19911	1.7
69.20255	11.9
79.05504	8.6
81.06592	1.6
81.07057	20.7
83.08610	1.4
91.05487	12.6
93.07057	12.6
95.04980	1.1
95.08612	12.1
98.20804	2.4
103.05454	3.0
105.07039	100.0
107.08598	10.6
107.67086	1.3
109.10146	5.0
109.45515	1.1
110.44804	1.1
111.08089	2.0
117.07024	5.6
119.08591	45.0
121.06548	1.1
121.10162	22.6
123.08063	2.4
129.07028	2.5
131.08585	9.9
133.10126	10.9
135.11694	2.2
143.08553	1.7
144.09331	1.7
145.10135	19.7
147.11737	2.5
149.13245	3.4
150.80383	1.1
157.10158	1.9
159.11700	23.4
161.13274	38.9
163.11197	1.7
173.13274	3.3
177.12706	1.5
184.39200	1.1
186.14026	1.6
201.16399	52.6
219.17470	3.4
253.19559	1.6
257.17432	1.6
264.72397	1.2
271.20728	2.9
299.20044	1.3
317.21088	4.6
335.25809	2.5
369.94098	1.1
435.66296	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04523	0.7
53.03944	1.1
55.01873	1.2
55.05503	1.6
57.03436	2.2
57.07078	1.1
60.37814	0.7
61.02906	0.7
67.05505	3.6
68.99770	0.6
69.03430	15.2
69.07076	2.8
70.55357	1.8
71.01337	0.6
71.04995	1.2
73.02924	2.2
79.05496	7.4
81.03432	5.4
81.07059	100.0
83.01299	0.7
83.04999	1.0
85.02908	20.4
87.00828	8.8
87.04470	2.3
93.07055	0.6
95.04974	0.7
95.08614	16.0
95.30242	0.6
97.02895	19.0
98.20783	0.7
99.04465	4.1
105.01869	15.2
109.02877	5.1
109.10169	1.4
111.04478	1.6
115.03924	8.0
117.05529	0.8
121.06525	0.7
123.04450	0.8
127.03918	12.8
129.05534	1.0
133.04987	2.6
135.04462	0.6
137.13263	25.4
139.03915	1.2
144.25909	0.6
145.04977	7.0
149.13319	0.7
150.07651	2.1
151.03905	0.7
154.15938	2.1
159.02946	2.5
177.05530	2.2
189.04008	1.2
201.04172	1.1
213.03938	1.4
223.06065	1.8
231.04942	5.7
241.07141	2.4
249.06082	3.1
301.09290	0.6
327.07129	3.7
345.08090	9.2
355.68921	0.7
363.09418	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40477	2.7
53.03948	5.2
55.01862	5.8
55.05515	9.7
67.05497	11.3
69.03422	7.2
69.07056	8.0
70.06574	3.8
71.04993	14.3
71.53911	3.8
79.05485	22.8
81.03426	3.9
81.07063	52.4
83.04983	11.5
85.02886	4.7
85.06520	5.7
87.04459	10.1
91.05476	16.4
93.07047	56.8
95.04965	12.0
95.08608	22.8
97.02897	7.6
97.06519	21.1
99.04465	11.7
100.11263	4.1
105.07034	48.0
107.04932	3.9
107.08601	37.5
109.06519	23.0
109.10168	8.5
109.47888	2.2
111.08065	7.2
115.03933	4.1
117.07042	6.1
119.04948	2.4
119.08604	27.4
121.06510	39.9
121.10129	11.5
123.08074	8.8
123.11674	12.7
125.05948	2.6
127.07566	12.2
129.05527	12.0
129.06999	4.9
131.08560	9.1
132.97592	2.6
133.04959	12.4
133.10139	18.7
135.08047	17.2
135.11664	3.1
137.06049	6.6
139.07521	16.3
142.07805	6.5
143.08563	10.0
145.10085	12.3
147.04399	2.6
147.08054	4.4
147.10504	5.2
147.11690	100.0
149.13243	6.8
156.09372	5.4
157.04956	60.6
157.08910	3.5
157.10161	17.4
161.09627	4.8
161.13248	12.2
163.11197	3.4
165.12756	57.1
169.04967	10.6
171.11694	21.2
173.09688	8.5
175.06036	44.0
175.11198	49.9
189.12752	31.0
193.12256	56.3
193.13910	5.0
199.11208	18.7
203.17964	3.6
207.13792	8.8
211.13301	38.0
213.47107	2.4
217.12242	40.4
229.14345	9.1
235.13297	40.1
253.14389	31.9
281.56284	2.4
303.05014	6.9
304.05472	7.9
307.15430	27.6
325.16486	15.8
331.15393	6.9
339.13617	3.1
349.16473	45.2
367.17413	35.6
385.18607	6.1
481.20630	10.8
490.61407	2.5
499.21707	14.2
533.30792	2.5
552.45013	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	551.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.01866	1.0
55.05513	12.4
57.03446	5.1
57.07081	29.0
60.06374	0.8
62.83411	0.7
65.03968	1.2
67.05507	22.3
69.03436	2.1
69.07076	11.4
70.00946	2.3
70.01355	1.8
71.04995	4.1
71.08640	20.2
73.08227	0.8
79.05497	13.4
81.03426	33.0
81.07065	29.6
83.04987	6.1
83.08625	18.9
85.02913	15.0
85.06552	2.2
85.10184	11.5
91.05482	15.5
93.07053	7.7
95.04982	11.7
95.08616	23.7
97.02883	1.4
97.06521	1.8
97.10190	7.7
98.21484	1.7
99.08136	1.0
99.11784	1.3
105.07043	11.8
107.04948	2.5
107.08605	3.4
109.06523	3.2
109.10160	9.7
111.04478	1.0
111.08063	4.3
111.11732	2.1
111.94551	0.8
113.06004	1.5
119.08591	8.3
121.10169	5.0
123.08117	1.1
123.11735	4.9
129.07007	6.2
131.08594	5.3
133.06506	1.8
133.10117	5.1
135.11720	0.9
137.09650	1.6
137.13335	1.2
142.07770	2.1
145.10172	1.9
147.08052	1.7
147.11676	7.8
149.09651	3.2
157.10132	6.2
164.39723	1.0
165.12817	2.2
175.11209	6.7
193.12253	25.3
208.75740	0.9
211.13312	31.2
211.15286	1.8
249.14903	0.9
249.25758	0.8
267.15939	6.3
267.26941	2.9
295.14996	1.1
341.30576	5.9
395.29755	1.2
426.21082	1.0
533.42114	2.8
551.43152	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01876	1.8
55.05515	13.5
57.03437	6.0
57.07080	27.8
65.03937	1.8
67.05512	20.8
69.03429	2.2
69.07069	9.0
71.04993	3.1
71.08640	18.9
79.05495	10.5
81.03425	34.7
81.06586	1.3
81.07063	21.1
83.04985	5.1
83.08623	15.6
84.56810	0.6
85.02913	15.1
85.06540	1.2
85.10188	10.5
91.05492	14.7
91.06026	1.2
92.70420	0.6
93.07051	7.7
95.04980	11.2
95.08617	20.5
97.02896	1.3
97.06568	1.6
97.10174	6.9
99.04433	0.6
99.11764	0.6
105.07033	9.8
107.04974	2.3
107.08585	3.2
109.06525	1.5
109.10157	8.3
111.04438	1.2
111.08094	5.3
111.11728	2.1
113.06026	1.6
115.05422	0.8
119.08587	10.2
121.06528	0.8
121.10167	4.2
122.62666	0.6
123.08081	1.1
123.11725	4.3
125.05981	0.7
125.09653	0.7
129.07013	4.3
131.08583	4.6
133.06468	0.6
133.10121	3.8
137.09598	0.7
137.13257	1.3
142.07809	1.0
145.10135	0.6
147.08081	1.5
147.11696	6.2
149.09613	3.3
157.10118	6.0
165.12836	1.1
175.11200	5.3
180.33366	0.6
193.12259	28.2
194.12622	0.7
211.13303	33.5
249.14900	1.5
256.75150	0.6
267.15942	7.5
267.26874	2.6
271.89099	0.6
285.17007	1.3
326.05850	0.5
341.30511	6.1
533.41986	3.2
551.43091	100.0
552.43585	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	4.5
55.05507	13.4
57.07084	20.9
61.38155	3.1
67.05507	32.0
69.07072	20.8
71.08614	4.6
71.54295	3.2
78.10555	3.0
79.05495	23.5
81.07066	44.0
83.08635	12.2
91.05488	46.4
93.07043	60.9
93.19331	2.9
95.04976	3.1
95.08615	44.5
105.07030	60.2
107.08598	56.0
109.10149	46.0
117.07019	17.5
119.08588	100.0
121.10139	52.7
123.11707	15.8
124.49938	3.1
128.06244	6.2
129.07004	13.5
130.07768	7.1
131.08571	29.7
133.10126	57.1
135.11697	35.0
137.09604	5.4
139.11206	3.7
141.06929	3.8
142.07770	14.1
143.08578	20.9
144.09358	4.7
145.10133	59.5
147.11682	17.9
149.13254	4.6
154.07674	3.4
155.08586	9.0
156.09363	11.3
157.10156	31.9
158.10861	4.8
159.11693	35.8
161.13289	10.6
167.08580	5.3
169.10129	15.5
170.10825	4.9
171.11699	22.8
173.13313	20.0
175.14857	36.6
176.84325	3.4
179.08580	4.7
181.10129	7.9
182.10965	5.7
183.11711	15.1
185.13318	16.8
187.14799	16.5
189.16502	3.4
193.10201	6.8
193.16029	3.4
194.11050	3.3
195.11708	9.6
197.13188	20.2
199.14828	12.8
201.16417	13.9
202.09239	3.8
207.11650	9.6
209.13228	12.1
211.13106	4.4
211.14832	14.7
213.16415	9.7
215.17871	4.8
219.17490	5.2
221.13376	3.9
223.14848	11.9
225.16492	5.0
235.14984	3.4
237.16397	6.3
241.19543	5.0
247.14877	4.6
253.19560	4.8
263.18005	3.7
267.21225	6.7
275.18024	4.5
277.19580	4.5
279.20984	7.0
285.22122	5.5
327.07828	11.9
333.25461	3.5
345.25888	3.5
495.26508	9.6
533.41089	4.1
551.42621	53.8
551.50397	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	551.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	0.6
61.37377	0.6
69.71917	3.0
74.02437	0.8
86.34133	0.6
89.03915	2.1
91.05476	1.3
92.81834	0.6
97.87904	0.7
104.65063	0.6
115.05415	0.8
117.03395	1.4
117.05770	0.7
117.07010	1.1
118.06561	16.4
119.04943	1.2
130.06497	1.4
132.08093	5.3
135.04434	1.8
139.03911	0.8
142.06548	1.9
143.07289	2.3
144.08101	11.7
145.02843	0.8
146.06029	55.7
147.04457	4.0
159.09213	6.0
160.07608	0.7
163.03938	12.9
164.04291	0.8
166.37688	0.7
170.06053	4.8
188.07091	100.0
205.09749	46.1
218.99747	0.8
237.00780	2.2
255.01895	1.2
299.21490	0.6
450.19974	0.6
543.37616	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.05516	12.1
55.82649	1.2
57.07080	9.5
59.04993	1.5
65.03930	2.5
67.05511	22.3
69.07076	19.1
70.12211	4.7
71.08640	2.9
77.03927	2.2
79.05501	22.6
81.03419	1.8
81.07063	37.9
83.08614	9.7
85.06566	2.0
91.05489	35.9
93.07051	54.7
95.04970	3.7
95.08615	38.5
97.10191	1.7
103.05510	3.9
105.04552	3.3
105.07040	71.2
107.08603	57.9
109.06506	2.0
109.10165	38.6
115.05445	4.2
116.06226	1.4
117.07018	15.5
119.08589	100.0
121.06534	2.0
121.10157	47.3
121.44790	1.2
123.08051	2.4
123.11723	13.7
128.06238	5.9
129.07040	9.2
130.07787	7.8
131.08574	28.9
133.10143	57.0
135.11694	37.7
137.09593	3.0
137.13246	2.0
141.07010	4.3
142.07771	12.5
143.08577	22.8
144.09346	7.8
145.10132	65.1
147.11696	20.9
149.09628	2.9
149.13269	5.9
154.07808	3.1
155.08571	9.3
156.09366	10.2
157.10155	34.6
158.10915	6.5
159.11705	33.3
160.12349	1.9
161.09778	1.5
161.13268	11.5
163.11203	2.1
163.14812	4.1
165.07045	3.1
166.07822	2.1
167.08592	6.0
168.09348	3.9
169.10152	14.2
170.10901	6.2
171.11708	20.6
172.12466	2.2
173.13284	21.3
175.14838	42.6
179.08568	4.5
180.09206	1.8
181.10155	8.3
182.10947	6.4
183.11699	15.3
184.12489	3.1
185.13277	13.9
187.14832	14.9
189.16408	3.0
191.14294	1.9
192.09270	2.2
193.10197	4.1
193.15919	2.5
194.10912	4.9
195.11726	10.4
196.12430	4.9
197.13292	19.5
199.14854	8.8
201.16383	15.6
203.14301	1.4
206.10866	2.3
207.11711	4.9
208.12482	2.6
209.13310	13.3
210.14000	1.9
211.13379	1.3
211.14897	11.2
213.16360	7.0
217.15999	2.2
219.11768	1.8
219.17505	4.5
220.12442	1.6
221.13278	7.4
223.14859	10.8
225.16426	5.0
227.17952	3.3
231.11682	1.9
233.13214	2.7
234.13976	2.3
235.14694	3.5
237.16441	5.2
239.18013	4.7
241.19507	5.3
245.13425	2.1
247.14775	2.8
249.16370	3.5
251.17863	2.5
253.19481	3.4
259.14783	1.9
259.20627	2.9
261.16403	3.6
263.18018	3.6
265.19507	4.4
267.15970	2.4
267.21112	5.3
271.20706	2.5
275.18002	3.7
277.19446	3.0
279.21246	3.9
283.20569	2.3
285.22183	4.6
287.18033	1.6
289.19556	3.5
317.22787	1.7
341.22369	1.3
345.25732	4.0
349.25052	1.7
351.27280	1.7
359.27368	2.3
385.28879	2.0
429.31604	2.3
459.36185	3.4
495.36588	3.8
533.41498	6.1
551.42578	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	551.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
58.22438	0.6
69.03424	0.9
69.19543	4.5
69.19958	2.0
77.20805	0.7
81.03394	1.0
85.02918	1.2
94.06580	2.8
97.87110	0.6
98.20743	1.4
101.40947	0.7
105.07031	1.4
106.74361	0.8
109.02907	1.2
110.95585	0.7
115.05465	0.7
126.76103	0.7
137.02367	2.0
161.05983	2.0
182.09718	0.8
191.07056	1.7
197.10869	1.8
198.07698	0.9
198.11565	1.2
199.08661	3.6
199.12259	0.7
211.08708	5.0
212.09453	4.1
213.10240	6.9
214.07373	1.2
214.11058	1.4
225.10237	12.3
226.07419	5.8
226.10913	5.1
227.08167	6.7
227.11800	7.0
237.10255	1.1
239.08009	1.2
239.11775	4.0
240.08992	2.4
240.12683	5.2
241.09729	9.8
241.13515	1.8
242.10562	4.4
242.14111	0.7
245.12950	1.0
251.11935	2.0
253.09714	9.0
254.10559	2.1
255.11322	11.8
257.12863	15.0
265.09747	1.8
267.08344	1.0
267.11349	9.5
268.08902	1.3
268.12091	10.4
269.09341	1.0
269.12881	2.6
270.09946	0.9
271.10721	2.2
273.12314	1.1
277.09766	0.8
279.11218	1.2
280.12158	2.4
281.09326	1.9
283.10809	1.1
284.11475	0.9
285.09247	0.7
285.12396	3.4
286.13217	1.4
295.10788	6.4
296.11603	6.9
297.12311	4.0
298.09210	1.4
298.13162	1.1
299.10336	1.8
300.11090	1.3
303.05005	10.2
311.05426	1.4
313.11804	18.6
314.12613	11.4
315.13574	0.9
323.05557	1.8
323.10236	1.3
324.10956	1.2
327.13641	1.0
337.07211	1.6
341.06528	2.1
341.11331	2.1
342.12128	7.9
343.12985	1.8
349.07825	0.8
350.08487	1.2
353.06653	1.9
355.12936	1.5
363.13809	0.7
365.06445	1.7
367.08301	0.9
373.14032	2.6
379.08240	1.0
379.12857	1.2
389.13403	1.1
395.07745	3.1
401.13452	1.4
403.10825	3.8
403.15970	1.4
407.07486	1.8
409.14023	1.2
413.08640	1.5
417.16522	1.5
419.14511	2.4
425.08664	2.6
427.15106	1.4
431.14841	1.8
435.17783	1.5
443.09476	1.7
445.16281	13.2
449.08786	0.9
457.16125	2.3
463.17172	2.2
467.09689	0.9
473.15619	11.4
475.17004	5.1
477.15210	1.1
485.10910	1.3
491.16623	42.0
497.11026	3.7
501.14954	2.9
515.12115	2.6
519.16119	50.2
533.17889	2.5
551.18774	100.0
552.19775	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.104
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
52.72052	0.1
53.03948	0.8
55.01869	0.4
57.03424	0.3
61.02927	0.5
65.03947	0.2
68.99799	0.8
69.03437	6.0
69.66704	0.1
69.74632	0.5
69.75059	0.5
71.04999	0.7
73.02908	0.2
79.08929	0.2
81.03426	5.6
83.01339	0.2
85.02924	2.4
87.00839	2.7
93.03379	0.5
93.03922	0.2
95.04945	0.4
97.02904	8.0
99.04458	1.0
102.47799	0.2
105.01871	0.7
106.23475	0.1
109.02894	1.8
111.00828	1.1
117.01838	0.2
121.02874	1.2
123.04408	0.3
127.03928	3.9
131.04909	0.3
135.04422	0.3
137.02353	3.4
137.03412	0.2
137.05968	0.4
143.82225	0.2
145.04968	0.3
145.06479	0.2
149.02345	0.5
153.01837	4.1
155.04890	0.2
159.02864	0.9
161.06061	0.3
163.03943	0.8
165.01846	2.3
166.02629	0.3
167.07053	0.2
173.05983	0.4
177.05486	0.2
181.05034	0.3
183.02921	0.7
183.04384	0.2
187.03967	0.3
195.02954	0.3
201.05510	2.0
205.05035	0.3
209.08023	0.4
219.03011	0.2
219.06601	0.5
226.12282	0.2
229.04982	4.7
231.02734	0.3
231.05017	4.5
247.05898	0.7
257.04483	2.8
274.04880	0.8
285.03970	1.5
302.04279	0.2
303.05017	100.0
304.05386	0.4
315.05029	0.2
345.05688	0.2
359.14984	0.2
371.14911	0.3
435.60458	0.2
497.12698	0.2
515.14886	0.2
551.20117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1034
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.03948	1.0
55.01868	0.4
56.58937	0.1
57.03422	0.5
57.37653	0.1
61.02907	0.6
65.03926	0.2
68.59393	0.1
68.99796	1.1
69.03432	6.3
71.01346	0.2
71.04980	0.4
71.10685	0.3
73.02918	1.0
81.03419	4.5
83.01345	0.3
85.02908	5.3
87.00307	0.3
87.00831	4.5
91.03977	0.7
93.03398	0.5
97.02293	0.2
97.02897	2.8
98.62084	0.1
99.04458	1.2
105.01873	2.1
109.02132	0.2
109.02881	3.5
111.00777	0.8
117.01874	1.2
121.02866	0.9
123.04478	0.4
127.03922	5.5
129.01848	0.3
129.92094	0.1
135.04405	0.1
137.02348	3.1
137.03389	0.1
143.04871	0.2
143.98438	0.1
145.04982	1.7
149.02310	0.4
153.01836	3.8
155.04918	0.2
159.02901	4.4
159.04269	0.2
161.05994	0.3
163.03934	0.4
165.01842	2.0
166.02687	0.2
173.05954	0.5
183.02888	0.7
183.04427	0.3
187.03943	0.3
195.02902	0.3
201.05460	1.5
205.04933	0.2
219.06540	0.2
228.04272	0.2
229.04970	4.4
231.05020	2.5
239.03497	0.2
247.06001	0.7
257.04477	2.7
274.04807	0.8
275.05566	0.3
276.47849	0.2
285.03946	1.3
303.04993	100.0
304.05276	0.6
315.05069	0.1
514.80194	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	551.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01870	0.8
57.03424	0.7
61.02908	0.7
65.03921	0.2
68.99783	0.9
69.03430	5.6
71.04974	0.4
71.52868	0.2
73.02917	0.9
81.03419	3.9
85.02911	5.1
87.00311	0.3
87.00830	4.6
87.04387	0.1
91.03967	0.9
91.05474	0.2
93.03403	0.2
95.04935	0.4
97.02895	2.8
99.04462	1.2
101.02410	0.1
103.05480	0.2
105.01875	1.8
105.07019	0.5
107.38879	0.2
109.02881	3.0
111.00825	0.9
114.82486	0.1
115.03964	0.3
115.05446	0.2
117.01866	1.1
118.04109	0.2
121.02882	1.1
123.04429	0.2
123.51067	0.1
127.03916	4.3
131.04898	0.3
133.06470	0.4
134.17497	0.1
137.01358	0.3
137.02344	3.1
137.03416	0.2
137.05939	0.3
139.03896	0.2
145.04955	1.5
147.04416	0.3
149.02333	0.4
153.01825	3.6
155.04868	0.2
159.02890	4.5
161.06007	0.9
163.03862	0.7
165.01845	2.1
165.63834	0.1
166.02565	0.2
167.07066	0.2
173.06004	0.5
174.23044	0.2
177.03976	0.3
181.04939	0.3
183.02971	1.0
183.04385	0.2
187.03838	0.2
191.03415	0.1
191.07007	0.4
191.91019	0.1
193.08543	0.3
195.02872	0.2
201.05469	1.4
204.59843	0.1
205.04857	0.1
207.02802	0.2
209.07968	0.2
211.03976	0.1
212.33382	0.1
213.03949	0.5
224.79907	0.1
228.04170	0.3
229.04979	4.3
231.04988	2.8
239.03352	0.2
247.06105	0.9
252.34868	0.2
257.04437	2.9
274.04715	0.9
275.05365	0.3
285.04028	1.4
303.04987	100.0
304.05228	0.4
318.08963	0.2
326.79385	0.2
345.05930	0.3
369.06085	0.3
411.07175	0.3
491.16605	0.2
519.16095	0.4
551.19336	0.5
555.45148	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	550.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.6
57.03431	1.7
57.07082	2.1
67.05515	10.4
68.03499	1.5
69.03428	4.2
69.07072	15.1
69.83859	7.3
73.99791	1.5
79.05503	10.8
81.07066	42.1
83.04998	11.7
83.08620	5.8
84.04514	2.1
85.02913	6.5
85.06592	4.0
87.23742	1.3
87.38519	1.4
91.05473	7.0
93.07056	25.1
95.08611	24.4
97.02882	2.6
97.06548	4.5
97.10210	2.2
99.04470	3.2
105.07045	36.4
105.21904	1.4
107.08607	30.5
109.06534	12.4
109.10162	24.2
115.03965	3.3
117.07061	2.0
119.08599	19.2
121.06564	2.0
121.10155	24.8
123.08060	3.4
123.11720	44.0
126.05528	2.4
127.07583	5.8
131.08598	3.9
132.45807	1.6
133.04968	1.9
133.10147	17.9
135.08043	2.0
135.11697	25.4
137.13278	4.7
139.11215	3.4
145.10118	3.1
147.11702	79.0
149.09642	7.2
149.13260	8.8
151.11212	12.2
153.12755	1.9
157.10167	2.1
159.11711	5.5
161.13258	4.4
163.11230	2.1
163.14870	4.4
165.12770	52.7
167.10759	2.8
169.12180	2.4
170.56038	1.6
175.11234	5.6
175.14844	1.7
177.12802	5.4
179.14241	1.9
181.12248	2.8
184.07417	1.7
187.14854	2.2
189.16440	2.8
191.18008	2.0
193.12248	46.0
195.13799	3.4
201.16394	2.0
203.18015	9.0
207.13890	2.5
211.13269	3.2
213.14865	3.3
217.19615	1.8
221.18820	3.1
229.14368	47.6
229.16600	3.3
255.03996	1.6
257.19016	1.7
272.76541	1.6
277.21671	3.6
279.98322	1.4
289.25302	2.5
295.09976	1.7
299.23804	3.4
307.26288	2.2
317.24789	98.3
335.25833	100.0
353.26868	9.6
421.08496	1.6
492.48206	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.1
57.03434	2.9
57.07066	2.8
60.08162	4.1
67.05506	12.7
69.03415	3.8
69.07074	32.5
69.47661	18.1
71.08630	3.0
75.86085	3.1
79.05489	8.9
79.21016	2.4
81.03426	4.9
81.07060	41.6
83.04997	6.7
83.08627	11.3
84.83437	2.7
85.02896	7.1
85.06553	4.2
86.09724	16.1
91.05476	3.9
93.07046	18.2
95.08611	22.3
97.02897	3.6
97.06548	5.0
99.04494	4.4
99.08078	7.4
104.10745	6.1
105.03356	2.8
105.07044	24.9
106.29814	3.2
107.08601	21.8
109.06528	9.0
109.10146	21.4
111.08074	3.1
111.11737	5.1
119.08595	17.8
121.10144	17.8
123.08097	5.4
123.11720	11.7
125.00011	6.5
127.11185	13.5
128.43532	2.4
133.10126	11.0
135.08000	2.5
135.11702	14.6
137.13272	5.0
137.87971	2.8
145.10118	5.9
147.11694	31.2
149.13242	7.1
151.11180	12.8
153.12674	3.8
159.11659	5.6
161.13264	19.0
163.14760	2.6
165.12798	20.6
171.11693	3.7
175.11203	3.6
175.14615	2.6
177.12737	3.1
179.14336	5.5
184.07341	54.3
187.14835	3.1
189.12752	4.8
191.18011	3.6
193.12300	14.6
195.13899	3.3
207.13802	9.1
207.17384	3.4
229.14381	8.8
243.15811	16.5
255.19559	7.5
269.12314	3.9
277.21594	3.1
299.23660	7.6
317.24777	24.2
335.25815	100.0
353.26868	66.5
371.27850	13.8
384.96283	2.9
466.01151	3.2
550.29333	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	550.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.9
55.01887	3.3
55.05523	23.5
55.37585	3.1
57.03439	24.4
57.07069	7.4
64.46641	4.1
65.03924	3.9
67.05511	97.5
69.07072	26.4
71.01351	3.5
71.04990	6.3
71.54513	4.5
79.05074	4.7
79.05497	69.2
80.77027	3.1
81.03407	9.2
81.07064	74.7
82.07419	3.8
83.04972	12.0
83.08619	14.4
85.06540	7.7
85.69231	3.6
91.05486	28.3
93.06483	5.2
93.07050	77.9
95.04955	8.6
95.08611	47.0
97.06525	16.0
97.10165	11.5
103.17420	3.5
105.07040	20.7
107.08607	51.1
109.10183	20.9
115.87004	3.1
117.07009	9.1
119.08595	18.8
120.06694	3.2
121.10169	28.4
123.11699	7.8
125.09629	5.7
131.08588	10.6
133.10112	10.6
135.11705	55.5
145.10144	19.9
147.11629	5.4
149.13303	6.5
159.11749	4.1
161.13354	3.4
162.77438	3.4
163.11140	10.0
163.14825	3.3
173.13243	4.5
180.03610	3.7
181.12268	17.6
184.06100	3.6
199.13248	5.7
199.68956	3.7
255.15919	100.0
261.22119	12.7
293.21042	11.0
294.18866	3.2
311.22180	5.7
335.22043	5.4
335.25803	63.3
515.37360	88.4
532.40295	4.2
550.41608	9.1
550.62701	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	550.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.2
57.03440	7.0
67.05507	6.0
69.03439	24.1
69.07070	3.3
70.86699	2.6
73.02917	2.2
79.05508	3.7
81.03429	3.2
81.07072	13.1
85.02913	21.2
86.09745	1.6
87.04483	13.7
90.86536	1.5
91.05486	6.0
92.65744	1.3
93.07053	7.8
95.08619	28.4
97.02908	22.8
99.04473	2.7
105.07043	12.7
107.08589	7.5
109.02861	1.5
109.09469	2.2
109.10170	26.2
115.03938	33.7
117.07076	1.4
119.08603	30.9
121.10138	7.3
123.11704	15.0
127.03914	4.3
131.08498	1.7
133.04982	30.5
133.10165	9.4
135.11694	5.0
139.03909	2.7
145.04977	7.5
145.10139	2.6
147.11711	26.1
159.11714	2.0
161.13264	6.5
163.05969	2.3
175.05965	1.8
175.14867	2.7
201.16321	1.7
203.17981	100.0
206.07378	1.3
221.18979	4.8
241.07057	2.6
259.08151	6.3
271.06143	1.7
272.06400	2.1
273.06628	1.8
277.09268	2.5
295.10275	14.5
307.44379	1.3
317.21173	3.1
335.22229	20.5
353.23492	1.7
365.23361	2.8
434.61398	1.6
462.03040	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19632	1.0
53.03955	2.8
55.01875	1.8
55.05271	1.8
55.05514	25.3
57.03428	6.7
57.07071	6.3
65.03932	1.4
67.05507	36.5
68.27389	1.0
69.03422	1.7
69.06686	1.5
69.07069	28.3
71.04973	3.8
71.08624	3.3
79.05490	19.0
81.03419	35.8
81.07057	31.2
83.04979	5.8
83.08620	25.2
85.02914	15.8
85.06569	1.3
85.10175	1.3
91.05488	17.1
93.07050	18.6
95.04974	14.5
95.08611	28.1
97.02896	1.2
97.06554	3.1
97.10181	9.0
98.21555	2.4
99.71202	1.3
105.07036	13.3
107.04928	2.8
107.08607	9.7
109.06532	3.1
109.10172	10.1
111.08048	5.5
111.11717	2.7
119.08585	12.1
121.10148	13.5
123.11755	2.9
125.09580	1.3
129.07014	4.9
131.08563	5.6
133.10147	5.3
135.11711	6.1
142.07768	1.6
145.10121	1.9
147.08046	1.8
147.11650	6.1
149.09647	2.9
149.13290	3.0
157.10153	3.6
165.12732	1.5
175.11192	8.6
193.12248	24.8
207.94041	1.2
210.88553	1.3
211.13292	33.8
229.29607	1.4
247.24609	1.2
265.25314	5.7
267.15878	5.3
329.31924	1.4
333.47925	1.3
339.28979	5.1
364.70874	1.4
457.36545	2.3
531.40063	6.8
549.41504	100.0
566.20563	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98108	0.6
55.01877	1.1
67.75914	0.6
70.92978	0.9
81.03404	0.7
83.05007	1.0
85.02926	1.1
91.05478	1.0
94.06593	1.0
109.02904	0.7
119.04980	0.7
120.08162	0.8
121.02899	3.6
122.03207	1.4
137.06003	2.0
139.03914	1.0
140.02011	0.6
168.06781	0.6
174.05415	0.6
178.04999	0.6
183.00349	0.6
187.08728	0.6
189.01880	0.7
197.09163	0.6
197.10809	2.8
198.11565	1.2
199.08658	7.0
199.12364	0.6
200.05731	0.6
201.98611	0.6
203.03481	1.3
204.03932	1.5
207.02914	0.9
211.08618	6.9
211.12395	1.1
212.09418	3.7
213.10258	8.2
214.07413	1.1
214.11061	1.7
221.10808	1.1
225.10245	16.3
225.12445	1.1
226.07384	7.8
226.10945	7.1
227.08183	9.2
227.11697	5.6
228.08974	1.0
231.02950	0.7
237.10333	1.0
239.08292	0.8
239.11826	6.6
240.09001	1.7
240.12560	3.6
241.09767	11.8
241.13388	1.4
242.10512	9.1
249.10278	0.8
251.11874	1.5
252.09024	0.9
252.12552	0.8
253.09796	9.4
254.10605	2.7
255.11340	12.0
257.12894	30.3
265.09836	0.8
267.11328	11.2
268.08743	1.2
268.12103	11.6
269.09671	1.1
269.12918	3.5
270.13474	1.0
271.10895	1.5
272.11826	1.0
273.12323	1.0
280.12198	2.1
281.09323	1.5
283.10931	1.4
284.11661	2.9
285.12357	5.7
286.09702	1.4
286.13077	1.4
295.06079	3.2
295.10788	8.4
296.06375	4.4
296.11591	11.1
297.06674	3.8
297.12448	3.5
298.13254	1.7
299.10471	1.2
300.11194	1.5
307.06085	2.2
308.06564	2.2
309.06735	3.4
310.07642	1.9
311.08420	1.1
313.11856	43.4
314.12653	17.2
315.13535	1.9
321.07544	2.8
322.08221	2.1
323.08115	3.7
324.11118	0.8
325.07132	2.6
326.07611	2.4
327.07654	4.2
333.07617	1.3
335.08475	1.9
338.07755	1.3
339.07785	1.5
341.11398	3.4
342.12143	29.0
349.06589	1.1
349.10382	1.0
350.07590	1.4
351.07977	4.5
352.08975	1.2
353.09308	2.7
361.06979	1.2
363.07809	1.4
367.11139	1.0
373.14081	7.1
374.14731	2.8
375.08118	1.0
376.08990	0.8
377.09491	1.5
379.08176	2.3
380.08682	2.2
381.08789	9.7
383.12717	1.4
393.08905	1.4
397.09232	1.5
398.09845	1.6
399.09692	6.3
401.09750	1.7
401.14026	1.3
405.08850	3.0
407.10123	1.4
410.09634	0.6
411.10052	1.9
415.15231	0.7
416.10818	0.7
417.10510	1.2
423.09866	2.4
429.13135	1.7
433.16156	1.9
435.10303	2.9
441.10895	1.9
443.14871	4.3
447.09875	1.5
452.10989	0.8
453.11008	4.2
457.12396	2.6
458.11819	1.2
459.11789	5.6
461.15918	1.5
469.11267	0.8
471.12704	8.5
473.15741	3.4
477.11154	1.1
483.12146	5.0
489.15125	34.9
493.11658	0.7
495.12024	3.7
499.13535	2.7
501.12759	3.4
513.12909	6.5
517.08569	0.6
517.14587	42.8
531.13953	6.5
549.17175	100.0
550.17419	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61477	1.0
52.15554	0.9
53.03945	2.8
55.01863	1.5
55.05268	1.6
55.05515	22.9
57.03430	6.3
57.07084	6.3
60.84462	1.0
62.18044	1.0
65.03940	1.9
67.05508	34.9
67.21393	1.0
69.03422	2.0
69.07074	31.0
71.05001	5.1
71.08627	3.6
77.35589	1.0
79.05501	20.4
81.02930	1.5
81.03423	32.4
81.07063	37.1
83.04998	6.6
83.08625	29.3
83.09124	1.4
85.02907	13.8
85.06542	1.8
85.10196	2.7
91.05491	18.1
93.07056	17.8
95.04975	12.1
95.08617	30.3
97.06520	2.9
97.10175	11.0
103.76388	0.9
105.07044	11.6
107.04972	2.3
107.08612	11.1
109.06511	2.7
109.10161	15.8
110.00545	1.0
111.04426	1.3
111.08109	6.6
111.11732	2.9
113.06028	1.5
113.09669	2.2
116.93829	1.0
117.07013	2.2
117.40509	1.0
119.08585	10.9
121.06562	1.0
121.10139	13.6
123.11723	4.4
125.09679	1.4
129.07028	5.5
131.08583	6.5
133.06482	2.2
133.10118	9.5
135.11673	6.4
138.67218	1.4
145.10130	1.5
147.11690	7.8
149.09642	1.7
149.13306	3.0
151.11201	3.0
157.10158	6.1
165.12793	1.1
169.10136	1.0
175.11194	7.1
193.12265	26.4
211.13301	31.3
211.15285	1.7
247.24196	1.4
253.14354	7.3
265.25281	5.1
267.15955	6.7
271.15543	2.5
335.25824	2.6
339.29068	5.2
443.95786	1.2
457.36658	1.3
531.41168	5.7
549.24103	3.3
549.41559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	2.8
68.75625	1.8
69.03091	2.8
69.03439	34.1
69.61037	8.4
91.05495	2.7
93.07079	2.8
95.08617	2.5
107.04977	2.4
109.02859	1.7
119.04990	8.9
121.02877	40.3
131.04973	1.8
133.10161	2.2
137.06079	2.3
145.02872	5.0
147.09631	1.8
163.03833	2.0
177.01852	4.4
179.03308	1.9
187.03902	3.2
189.01868	10.4
191.03392	5.3
195.02914	5.0
201.02094	1.7
201.05492	3.1
203.03374	13.1
205.04947	3.3
207.02904	6.3
213.05446	2.3
215.03441	5.6
217.04930	5.2
219.02890	6.6
221.04489	4.1
227.03429	2.3
229.05029	4.3
233.04488	2.6
243.02708	2.0
245.04535	2.7
253.04797	2.6
255.06642	2.0
257.04401	2.4
267.06580	2.3
268.07391	3.6
276.12436	2.3
279.06537	4.6
281.08130	5.1
283.06058	5.1
284.07019	2.6
291.06610	2.0
293.08044	4.4
294.05280	24.8
295.06061	54.3
295.09467	3.9
296.06693	5.5
297.07645	9.3
305.08173	4.4
306.08856	3.0
307.06061	46.0
307.09546	4.0
308.06827	17.1
309.07547	17.9
313.07086	5.6
317.07956	2.4
319.06067	7.5
320.06775	7.4
321.07617	38.7
322.08176	6.2
323.05722	2.6
323.09167	6.5
325.07080	51.5
329.07928	2.3
331.09842	3.8
333.07510	16.9
334.08328	4.8
335.09195	17.5
336.06290	5.0
337.07080	65.6
339.08600	5.9
343.09631	4.1
345.07455	8.7
347.05347	2.6
347.09073	6.1
349.07013	26.7
349.10757	4.1
351.08664	21.6
355.07974	9.7
359.09094	6.9
361.07031	16.8
363.08682	25.0
367.08249	8.5
373.07077	11.1
375.08633	17.3
377.10126	6.6
379.08163	45.4
381.09827	3.4
385.10272	2.5
387.08636	16.3
389.10004	3.3
391.08148	34.4
393.09705	17.5
397.08850	5.0
403.07886	3.8
405.09705	30.7
409.09213	51.9
411.10684	22.2
413.10400	3.9
415.08121	4.0
417.09558	4.2
423.10767	26.5
427.10263	46.8
429.09900	3.8
431.11105	4.4
433.09399	10.2
435.10706	5.7
441.11957	16.9
445.11359	14.9
447.10852	9.4
451.10278	12.3
459.10886	15.4
465.11810	13.1
469.11417	20.2
477.11896	21.5
483.12967	14.9
495.12921	100.0
513.13959	82.2
531.14935	19.1
549.15973	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	549.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73648	1.4
67.25170	1.2
69.03436	42.3
69.46535	10.2
85.02901	2.2
107.04945	2.3
111.04436	1.6
119.04985	6.7
121.02020	1.9
121.02887	30.0
135.04385	2.5
137.05978	5.1
145.02878	5.7
147.04312	1.9
161.06010	1.9
163.03958	2.0
171.04466	1.8
173.06004	1.7
177.01837	4.5
179.03513	1.5
187.03880	1.6
189.01836	6.4
191.03392	4.9
195.02876	3.4
201.05527	2.0
203.03389	6.9
207.02792	3.7
215.03447	2.0
217.05064	2.2
219.02869	6.1
220.32578	1.6
221.04454	3.0
223.03835	1.7
225.05783	1.4
227.03435	2.4
229.04906	3.3
232.03534	1.4
241.05081	3.3
251.06958	1.5
255.06506	2.1
257.04532	3.7
267.06528	3.0
268.07343	2.8
269.04395	3.8
271.05994	3.3
279.06558	7.4
281.08197	4.6
283.05975	7.5
291.06512	5.0
293.08029	2.6
294.05280	20.8
295.06018	40.3
296.06738	4.6
297.07602	5.2
305.08026	4.8
306.08777	2.1
307.06021	45.3
307.09500	2.6
308.06738	11.6
309.07602	14.8
313.07144	4.6
319.06058	6.2
319.09586	1.9
320.06738	5.8
321.07648	23.3
322.04956	1.7
322.08337	6.0
323.05475	1.8
323.09122	4.1
325.07120	29.9
331.09595	5.7
333.07556	13.2
334.08304	6.4
335.05780	1.4
335.09189	10.5
336.06143	3.5
337.07059	64.2
339.08624	2.8
343.09659	7.3
345.07452	3.3
347.09204	11.8
348.10028	1.9
349.07065	20.5
349.10822	4.1
351.08719	15.0
353.06409	1.7
355.08020	8.8
357.07275	1.7
359.09198	14.0
361.07010	10.0
361.10373	2.3
362.08041	1.8
363.08710	17.6
367.08139	12.1
369.07571	1.9
371.08966	2.3
375.08664	23.2
376.09097	2.0
377.10217	12.8
379.08145	36.0
381.09491	4.1
385.10513	3.1
387.08661	30.1
389.10233	6.8
391.08197	12.5
393.09659	7.0
397.09500	10.6
401.10272	4.1
403.07739	3.4
405.09741	44.5
409.09128	12.3
411.10736	1.6
413.10120	3.3
417.09622	6.8
423.10764	46.5
427.10336	15.9
429.09650	7.7
431.11310	5.5
433.09106	7.4
435.10690	5.5
441.11929	27.7
445.11349	21.2
447.10660	6.5
451.04562	2.0
451.10242	22.3
453.11575	2.7
459.10776	17.5
465.11661	2.6
469.11343	22.5
477.11923	20.7
495.12918	100.0
513.13989	90.5
513.21942	3.0
531.14960	29.7
549.15540	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
57.03442	2.3
61.02921	4.3
69.03433	40.0
69.03813	2.2
69.71418	6.3
71.04980	3.3
79.05489	1.5
83.04974	1.4
85.02902	5.6
85.64620	1.2
91.05481	2.2
97.02884	1.7
98.20690	1.4
103.05456	2.0
105.03400	3.5
107.04976	2.9
119.04940	5.9
121.02872	42.3
131.04968	2.1
135.04410	2.7
137.05983	15.7
145.02832	7.9
147.04430	2.6
151.03912	2.4
153.01891	1.5
161.06023	1.8
163.03914	3.2
167.07060	2.8
173.02332	1.7
175.03839	1.6
177.01854	4.9
177.05566	1.6
179.03413	1.4
181.04996	3.8
187.03877	3.0
189.01848	11.1
191.03430	5.7
195.02913	5.1
201.01881	1.9
201.05498	2.0
203.03386	8.8
205.04942	2.6
207.02884	5.8
213.05455	3.4
215.03352	4.7
217.04955	4.2
219.02887	4.3
221.04494	1.7
229.04944	5.5
231.02928	1.6
233.04257	2.5
239.03366	1.8
241.04924	4.6
253.04848	2.3
257.04431	3.8
267.06488	3.7
268.07336	1.8
269.04501	3.9
269.07986	1.5
271.06104	2.0
277.08542	2.0
278.05710	1.7
279.06583	12.9
280.07367	3.9
281.07996	7.6
283.06076	9.1
284.06567	3.1
287.05588	2.7
291.06479	9.6
292.07153	3.6
293.08038	5.6
294.05215	25.6
295.06024	40.9
296.06778	3.2
297.04355	1.7
297.07324	6.4
305.07938	7.0
306.08722	2.0
307.06015	50.4
307.09445	2.9
308.06766	15.0
309.07535	23.2
313.07068	6.9
317.08136	4.7
319.06012	9.2
319.09454	2.5
320.06674	3.8
321.07556	30.0
322.08398	4.0
323.05554	2.6
323.09055	3.4
325.07089	33.0
331.09595	3.9
333.07556	18.6
334.08286	4.3
335.05573	2.2
335.09119	13.0
336.06302	3.9
337.07043	69.3
339.08588	5.0
343.09705	8.6
345.07672	8.5
347.09116	11.2
348.09991	1.8
349.07059	20.7
349.10748	3.7
351.08548	14.8
353.10175	2.0
355.08173	9.2
359.09061	13.2
361.06976	9.9
361.10760	2.9
362.07794	2.8
363.08655	23.7
365.09875	2.1
367.08194	17.2
367.12262	2.4
369.07339	2.1
371.09052	1.6
373.06760	2.1
373.12683	9.0
375.08621	27.3
377.10193	11.7
379.08130	38.0
381.09763	8.3
385.09692	4.6
387.08673	27.7
389.10129	5.6
391.08112	14.5
393.09747	9.5
397.09180	7.6
399.10477	1.8
401.10364	3.2
403.10864	4.4
405.09726	48.9
409.09210	13.9
411.10626	4.0
413.10233	3.8
417.09744	9.7
423.10770	51.3
427.10309	21.6
429.09625	10.9
431.11255	5.6
433.09167	8.0
435.10803	9.2
441.11865	26.6
445.11325	21.9
447.10654	10.8
451.10406	22.7
453.11884	6.4
459.10806	20.3
465.11874	5.3
469.11386	22.7
477.11819	24.3
483.12723	3.8
495.12894	100.0
513.13947	85.3
514.14771	1.6
531.14856	25.9
549.15399	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	547.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.4
55.01875	4.3
55.05513	32.7
57.03439	13.0
57.07083	6.6
59.04985	1.1
65.03935	2.6
67.05508	71.3
69.03427	3.4
69.07071	28.3
69.36105	6.3
71.05013	4.4
71.08624	2.8
72.04517	12.1
73.04858	1.2
79.05498	34.3
81.03422	53.0
81.07060	74.0
82.89725	0.7
83.04988	7.6
83.08622	28.6
85.02914	3.2
85.06535	3.7
85.10163	1.4
90.16639	0.7
91.04903	1.5
91.05482	32.6
93.07047	35.6
95.04365	1.7
95.04973	29.7
95.08611	51.2
97.02898	1.5
97.06540	6.7
97.10175	16.1
99.08099	2.4
103.05443	1.0
105.04573	1.0
105.07037	26.8
107.04956	9.9
107.08597	25.2
107.09308	1.5
109.06514	5.9
109.10159	25.2
111.04440	1.3
111.08086	7.5
111.11723	2.5
112.77464	0.7
113.06028	0.7
113.09557	0.8
115.05471	1.1
117.07027	8.0
119.04947	1.8
119.08584	21.0
121.06517	6.4
121.10147	20.5
123.08044	3.7
123.11721	9.0
125.09644	10.0
125.10479	1.4
125.13238	1.1
126.83027	0.7
129.06999	10.4
129.41885	0.9
131.08574	15.9
133.06500	2.2
133.10143	15.4
135.08061	3.4
135.11678	11.7
137.09593	2.8
137.13237	2.9
139.11288	0.8
142.07770	1.6
143.08531	4.2
145.10130	7.8
147.08086	4.4
147.11697	12.1
149.09618	5.2
149.13293	3.2
151.11214	1.7
151.14841	1.6
153.09137	1.0
153.12796	1.3
155.08536	1.2
157.10129	9.8
159.11682	4.8
161.09650	1.4
161.13286	6.5
163.11208	4.9
163.14822	4.5
164.11406	0.8
165.12802	2.7
165.16393	1.4
167.14334	1.1
169.10199	1.7
171.11685	2.5
173.09653	0.9
173.11827	0.9
173.13301	2.7
175.11211	7.4
175.14857	3.4
177.12775	3.2
177.16466	2.0
183.11636	0.9
185.13312	2.0
187.11162	1.5
187.13261	1.2
187.14815	1.2
189.11269	4.9
189.16438	2.9
191.14362	1.1
191.18024	1.0
193.12245	23.9
193.15903	0.9
195.11661	0.7
197.13327	0.9
199.14844	1.2
201.16443	1.6
203.14331	1.2
203.17894	1.9
205.12282	1.6
211.13289	7.9
213.12798	1.0
213.14679	1.1
220.13298	1.0
223.13205	1.5
223.15129	1.0
227.10696	0.8
227.12720	9.2
227.16309	1.2
229.19510	0.9
234.14890	1.1
235.15227	1.1
241.18056	2.5
245.15503	0.7
245.18854	0.9
245.22620	6.9
249.14932	3.4
261.22232	1.0
263.23730	9.4
267.15933	56.7
272.86148	0.9
275.20099	3.0
284.12784	1.4
285.25769	1.5
287.23660	1.5
289.21579	4.7
301.25201	1.8
303.23453	1.2
303.26791	11.0
305.24741	1.1
317.24771	1.0
319.26471	1.6
328.19104	1.0
329.19702	1.1
337.27380	49.0
340.19009	1.2
341.19504	1.9
343.22559	1.2
343.26321	1.4
361.27380	1.8
363.25348	1.6
385.25909	1.1
396.25372	1.7
397.25836	2.5
403.24857	1.9
417.26828	0.9
419.32980	1.2
421.26199	2.2
427.35614	1.9
435.27515	1.3
437.34250	5.9
455.35229	19.1
473.36334	9.8
503.37134	1.6
509.61484	0.9
511.37869	2.4
529.38898	76.4
547.39929	100.0
548.40320	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.3
53.03936	5.3
53.10775	1.2
55.01867	3.3
55.05513	25.6
57.03435	12.4
57.07069	3.9
65.03934	4.4
67.05506	86.2
69.03437	1.4
69.07066	23.8
69.21579	7.1
69.22004	5.4
69.36307	1.2
71.04987	3.7
71.08636	1.8
74.57402	1.2
79.05494	51.5
81.03422	4.9
81.07057	100.0
83.04990	7.6
83.08621	16.5
84.82746	1.2
85.02909	3.6
85.06544	5.6
91.04910	1.5
91.05480	38.4
93.07046	71.9
95.04964	8.1
95.08611	53.1
97.06521	8.5
97.10197	6.9
98.21513	2.9
99.08092	3.3
105.07044	30.7
107.08600	39.6
108.08961	1.8
109.06549	3.3
109.10164	26.4
111.08073	7.8
117.07018	12.7
119.08582	29.7
121.10148	27.5
123.08123	3.2
123.11692	10.1
125.09591	2.1
127.07565	1.3
129.06998	3.7
131.08568	21.7
133.10136	17.0
135.08104	1.8
135.11700	15.0
137.09613	2.9
137.13298	3.2
139.11209	2.7
143.08592	4.0
145.10147	17.6
147.11713	15.7
149.09647	2.8
149.13261	22.3
157.10201	4.6
159.11699	18.3
161.13283	7.1
163.11186	2.3
163.14844	4.4
165.12775	2.4
169.10243	2.3
171.11760	5.1
173.12012	1.5
173.13217	8.2
175.14905	3.7
177.12796	5.0
183.11702	1.7
185.13306	3.3
187.14873	4.3
193.12296	4.1
194.12738	1.4
195.13800	9.7
197.13278	2.6
199.14839	3.6
201.16414	2.3
209.13284	1.7
211.13289	3.9
225.16356	1.1
227.12851	2.0
229.14381	4.0
241.19571	2.0
247.20662	1.9
259.20551	2.4
261.22110	16.3
263.23776	1.8
267.16040	3.7
269.17484	39.0
271.19083	1.5
277.99097	1.3
279.23260	1.5
287.23730	3.6
301.25323	3.9
306.88205	1.3
317.24829	3.1
335.25793	30.5
337.27560	1.6
405.18954	1.4
419.33063	1.7
437.34146	9.5
455.34988	8.4
473.36407	5.6
475.34018	2.1
503.37408	3.4
511.38162	3.0
529.38885	74.0
542.20001	1.4
547.39911	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	546.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.6
55.01881	3.9
55.05514	18.8
57.03444	12.7
57.79375	1.8
64.15203	2.3
65.03938	2.5
67.05512	64.0
69.03437	4.1
69.07083	14.2
69.10702	1.9
71.05001	29.5
71.53359	2.9
79.05508	36.4
79.05967	2.8
80.37052	1.8
81.03426	38.2
81.03869	3.8
81.07069	100.0
83.04988	14.1
83.08633	18.0
85.02934	16.6
85.06570	10.4
89.60625	2.6
91.05487	47.0
93.07049	25.1
95.04978	20.8
95.08625	15.1
97.02876	4.8
97.06551	6.1
97.10194	4.2
105.07034	29.6
107.04968	5.2
107.08607	16.5
109.06516	8.5
109.10160	8.7
111.08076	8.3
113.05974	4.3
117.07024	6.9
119.08590	21.6
121.10178	11.1
123.08063	3.9
123.11694	14.3
129.07045	6.8
131.08585	13.6
133.06555	2.3
133.10153	27.4
135.11685	4.5
136.21661	2.2
145.10172	2.5
147.08092	2.6
147.11732	11.5
149.09656	4.5
149.13246	6.9
150.53555	2.3
151.11215	5.5
157.10155	11.0
159.11739	6.3
175.11223	8.4
183.13866	3.5
187.13229	3.8
193.12262	26.9
195.13844	6.4
211.13319	36.1
225.14928	3.5
227.12802	2.3
243.15981	5.6
253.17964	2.4
267.15918	16.7
269.17505	11.8
272.64478	2.1
285.17004	30.4
291.19669	2.9
301.20145	34.3
337.05939	2.3
420.34857	2.0
435.27472	31.4
443.28159	3.5
453.28522	89.7
461.29077	25.3
467.30270	14.4
479.30109	27.6
493.31604	3.3
503.27301	2.6
511.32822	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	547.1452
Annotation	Dehydrogaertneroside
Peak:m/z	Relative Intensity
55.01874	3.7
57.03444	1.4
65.03932	1.3
69.03442	1.7
69.57878	6.5
70.28546	0.9
79.05507	1.3
81.07040	1.7
85.02919	1.7
86.09751	0.9
87.84020	0.9
91.05501	2.3
93.07126	1.1
95.04935	1.2
97.02876	1.2
98.21491	1.6
103.05457	0.9
105.07042	1.1
106.48236	0.9
107.04939	2.7
109.02893	1.5
119.04959	9.6
121.02875	35.3
121.06484	1.0
123.04390	1.7
131.04851	1.4
135.04390	1.1
135.11690	0.9
145.02834	4.2
147.04453	2.8
149.09560	0.9
150.78526	1.2
153.01805	1.3
159.04402	1.6
161.02342	1.7
161.05943	1.2
163.03899	1.4
165.01878	3.0
173.02402	1.0
175.03917	2.5
177.01790	4.5
179.03426	1.7
181.15404	0.9
187.03940	3.0
187.69559	0.9
189.01813	8.7
191.03447	6.0
191.04883	0.8
195.02895	5.8
199.03877	2.7
201.01865	1.0
201.05551	1.2
203.03426	14.0
205.04988	1.6
207.02896	6.7
213.05511	1.1
215.03394	10.9
217.01550	1.2
217.04990	4.6
219.02890	3.9
221.04520	2.2
227.03322	1.5
229.05029	2.7
231.02940	3.0
233.04474	4.2
243.02882	6.4
243.06567	1.0
245.04439	2.0
255.02963	1.4
255.06572	2.2
257.04532	1.4
267.06671	2.4
268.07346	5.0
269.08481	1.2
270.90656	1.0
271.05981	15.4
273.03967	1.2
277.08740	1.0
279.06595	3.8
281.08206	2.2
283.06024	18.5
284.06757	2.2
291.06454	1.8
292.07358	1.8
293.08090	4.7
294.05215	11.3
295.06024	68.2
296.06781	7.5
297.07608	14.0
304.19778	1.0
305.08176	3.6
306.08743	2.0
307.06006	57.0
308.06790	12.7
309.04147	1.0
309.07550	24.7
311.05365	1.0
312.06219	5.6
313.06982	2.7
317.08026	5.3
319.05969	8.3
320.06741	8.4
321.07574	41.6
322.04660	2.3
322.08319	4.9
323.05478	5.0
323.09113	6.7
324.06256	2.4
325.07068	56.7
326.07965	2.5
329.07922	4.0
331.19769	1.1
333.07562	33.7
334.08252	3.9
335.05453	4.7
335.09186	12.3
336.06140	5.7
337.07086	30.4
337.11099	1.8
339.08725	3.0
344.06812	1.3
345.07651	10.6
347.05386	3.0
347.09213	5.9
348.06033	1.4
349.07065	33.1
349.10773	2.0
350.08041	4.5
351.08640	17.3
353.06509	8.2
355.07889	1.7
357.07556	1.5
359.09250	1.7
360.06299	1.9
361.07074	38.7
362.07788	4.3
363.04272	1.4
363.08646	20.9
365.06400	4.5
367.08096	5.7
373.06985	11.7
373.10910	1.4
375.08649	9.2
377.06326	5.8
378.07339	3.5
379.08145	35.3
381.09671	1.8
387.08572	1.4
389.06094	2.0
389.10336	2.7
390.07455	2.8
391.08145	58.1
393.09808	4.9
395.07651	2.3
401.10266	3.2
403.08228	6.3
405.09607	2.1
407.07510	10.7
408.08472	2.9
409.09189	44.2
415.07883	2.5
417.09750	2.1
419.07220	1.7
421.09158	11.7
425.08600	2.9
426.09473	2.2
427.10263	27.2
429.09625	3.3
431.07419	2.5
433.09052	2.9
435.10770	2.2
439.10278	11.1
445.09329	2.0
447.10696	6.6
449.08755	2.2
457.11340	18.4
458.39890	1.2
463.10388	11.0
465.11600	1.5
467.09781	1.5
475.10300	20.4
481.11334	52.4
493.11307	58.5
511.12402	100.0
529.13458	27.4
547.14203	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	546.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83974	0.3
61.01140	0.9
62.28424	0.3
65.03941	0.8
69.03414	0.4
70.06590	0.6
71.11063	0.7
72.04531	1.4
78.03799	1.7
81.07074	0.4
84.04470	0.3
85.06533	0.4
86.06055	0.4
86.09706	1.2
88.02226	1.2
91.05486	6.6
95.04987	0.3
98.02406	0.4
98.06037	0.6
99.05598	0.5
102.03778	3.1
114.03745	1.4
119.04949	16.2
121.06506	0.7
124.07612	0.5
130.03253	0.5
130.08635	0.4
131.06400	2.0
132.04819	2.3
142.08640	1.5
146.08171	0.3
147.04419	100.0
147.58333	0.3
148.04765	0.5
149.07445	10.7
158.02739	0.4
159.05911	0.6
159.80925	0.3
164.53973	0.3
175.05280	0.9
184.09705	1.0
206.06345	0.6
216.88370	0.3
218.08145	13.5
243.11679	0.4
261.12662	5.9
261.15158	0.4
277.09964	0.5
286.17688	0.4
295.11133	22.8
313.17892	0.4
407.16327	4.0
416.13126	26.4
505.94391	0.3
528.18329	7.1
546.20013	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	546.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
55.01852	2.0
55.05513	13.2
57.03452	9.1
57.07073	2.4
67.05504	32.9
69.03416	2.4
69.07065	11.6
71.04983	4.4
79.05067	2.0
79.05492	25.5
81.03420	49.7
81.06593	2.8
81.07056	45.4
83.05002	6.8
83.08614	15.8
85.02867	1.3
85.06529	2.9
88.71453	1.3
89.06017	2.5
91.05483	17.6
93.06496	2.3
93.07049	32.2
94.07386	1.5
95.04980	15.0
95.08606	12.9
97.06540	7.0
97.10153	2.9
99.08105	1.8
105.07028	13.6
105.69337	1.3
107.04936	2.9
107.08596	18.7
109.06509	3.7
109.10145	6.2
111.08083	7.7
117.06995	5.7
119.08576	9.9
121.06487	3.3
121.10140	13.4
123.08025	3.2
123.11700	1.5
125.09600	2.2
129.07005	5.1
131.08565	11.3
133.06483	1.3
133.08542	1.5
133.10136	7.1
135.11670	4.1
137.09641	1.6
145.10132	1.6
147.08052	2.2
147.11668	5.8
149.09534	2.7
149.13251	17.6
157.10130	6.7
159.11690	5.9
175.11151	4.6
177.12663	3.0
193.12238	11.8
195.13776	4.1
211.13347	2.6
214.99904	1.4
227.12756	1.7
231.62407	1.5
249.14803	1.9
253.14455	1.6
267.15909	54.4
269.17477	67.6
333.23975	1.7
351.25427	1.5
435.27386	4.2
443.27914	1.8
461.28998	100.0
479.29749	1.7
528.37366	3.9
546.39044	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	546.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48077	0.8
53.03939	2.5
55.01896	1.3
55.05514	8.6
55.19470	0.9
56.75112	0.9
57.03439	11.3
65.03938	1.6
67.05510	32.7
69.07069	11.2
70.09690	4.6
71.04969	3.1
76.23991	1.0
79.05500	20.2
80.43160	1.1
81.03423	49.3
81.07065	39.2
83.05002	4.8
83.08630	17.7
85.06544	1.8
91.05485	17.7
93.06486	2.0
93.07051	32.3
95.04976	13.6
95.08611	10.2
97.06539	6.3
97.10186	2.4
98.21426	1.8
99.08120	2.3
104.97598	0.8
105.07033	11.9
107.04942	3.8
107.08602	18.6
109.06506	1.8
109.10153	1.4
111.08109	5.9
117.07063	4.7
119.08588	7.8
121.06493	2.0
121.10165	11.6
123.11650	1.2
125.09540	1.0
129.07031	6.6
129.76344	1.1
131.08592	7.0
131.28952	1.0
133.06558	1.9
133.10133	5.9
135.11678	5.6
145.10178	1.7
145.46565	0.9
147.08037	2.0
147.11659	5.4
149.09624	2.4
149.13261	17.4
157.10112	7.9
159.11700	6.3
165.12741	1.6
174.40024	1.0
175.11176	5.4
177.12776	4.7
193.12282	13.3
195.13872	3.7
249.03517	1.2
249.14780	1.3
267.15936	55.0
269.17493	60.5
393.92807	1.1
420.22632	1.1
435.27429	3.1
443.28061	1.4
461.29037	100.0
479.30301	1.2
546.37091	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.3
55.01878	2.4
55.05518	12.0
57.03437	2.4
57.07079	2.7
65.03963	1.8
67.05512	27.1
69.03427	1.6
69.07069	13.6
71.05003	2.2
71.53410	2.1
79.05499	18.2
81.03429	4.6
81.07065	35.2
83.04993	3.0
83.08629	5.2
85.02905	1.5
85.06551	1.8
91.05488	22.8
93.07054	30.6
95.04976	16.0
95.08617	29.8
97.06551	3.2
97.10189	3.1
99.04462	1.8
99.08105	1.2
103.05509	1.6
105.07042	35.9
107.08602	28.1
109.06519	10.3
109.10165	16.6
109.22147	1.2
111.08095	2.2
117.07034	6.1
119.08591	27.8
121.06538	3.7
121.10161	18.4
121.10944	1.6
123.08109	4.2
123.11736	9.1
125.09669	2.0
129.07047	4.5
131.08583	17.2
133.06494	2.2
133.10143	19.9
135.08092	4.5
135.11717	11.8
137.09671	1.6
137.13242	2.0
141.07054	1.1
142.07803	2.9
143.08560	11.0
144.09268	1.5
145.06503	1.2
145.10124	20.8
145.11162	1.8
147.08115	2.6
147.11699	17.7
149.09633	3.3
149.13286	7.2
153.33209	1.1
155.08629	4.7
156.09422	2.2
157.10164	11.9
159.08127	1.7
159.11703	20.4
161.09680	4.0
161.13269	11.7
163.11205	3.2
163.14822	5.1
167.08655	2.0
169.10146	5.7
171.11687	8.3
173.09604	1.3
173.13239	11.0
175.11224	3.0
175.14853	5.4
177.16447	1.7
183.11673	6.7
185.13194	6.1
187.11163	1.2
187.14807	5.7
189.16428	2.9
193.12340	2.8
195.11777	3.1
197.13370	4.6
199.14752	5.6
201.12817	1.6
201.16463	5.7
203.18088	3.9
209.13338	2.3
211.14890	3.6
213.16460	4.9
215.14418	1.6
215.18092	5.2
221.13295	2.0
223.14934	2.1
225.16411	3.6
227.12718	1.6
227.17981	2.6
229.19603	2.0
237.16536	1.7
239.18015	1.5
241.19669	2.3
243.21069	1.9
253.19717	2.4
255.21115	5.5
259.20792	1.6
261.22061	1.8
265.19769	1.5
267.15775	2.3
267.21014	1.4
269.22867	1.9
275.20181	1.8
281.22577	2.6
283.24390	1.9
291.19562	1.7
299.23615	1.7
301.25208	1.3
389.32269	1.7
435.32617	2.6
443.36871	2.8
453.33841	1.9
467.36526	1.5
471.35071	1.3
485.37857	44.7
503.39090	6.1
527.37592	9.7
545.39813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
53.75222	0.9
55.01867	3.4
55.05515	17.8
57.03440	5.2
57.07063	1.7
65.03943	2.4
66.69784	1.1
67.05510	39.9
69.03423	3.2
69.06779	1.1
69.07076	11.4
69.49716	2.3
69.50121	6.7
71.04987	3.8
72.28695	0.9
79.05495	36.1
81.03423	32.2
81.06589	2.2
81.07061	39.6
81.92791	1.0
83.04993	6.3
83.08626	15.1
85.02908	15.6
85.06540	2.3
85.48606	1.1
89.99842	1.0
91.04910	1.4
91.05483	31.6
93.07050	38.0
95.04980	14.8
95.08614	21.8
97.06548	4.2
97.10165	3.7
99.08081	1.7
102.28741	0.9
105.04523	1.9
105.07032	20.8
107.04955	3.3
107.08607	19.2
109.06519	3.6
109.10164	11.2
111.08094	5.7
117.07020	6.7
119.08583	18.7
121.10165	16.5
123.08058	1.8
123.11700	3.6
125.09632	3.5
129.07028	7.1
131.08569	14.7
133.10121	10.8
135.08067	1.3
135.11678	8.6
137.09636	1.6
142.07826	1.9
142.21988	1.0
143.08560	2.2
145.10127	7.3
147.08078	1.6
147.11690	8.7
149.09612	3.3
149.13255	4.6
157.10153	7.8
159.11729	5.9
161.13275	4.3
163.11252	2.2
163.14796	1.3
165.12711	1.5
169.10106	2.0
171.11705	1.8
173.13266	4.2
175.11220	6.3
175.14857	1.2
181.09883	1.2
185.13235	1.6
187.14832	2.4
189.11343	1.4
193.12262	26.1
196.32149	1.0
199.14825	1.9
201.16420	1.0
211.13306	31.4
211.22643	1.1
227.12787	2.1
261.22141	4.0
267.15942	7.1
285.22015	1.7
297.67502	1.1
301.25281	3.6
303.23096	1.2
317.24667	1.1
335.25848	3.3
359.25589	1.5
379.06555	1.0
389.34348	1.2
435.32654	2.7
453.33701	3.9
471.34943	1.6
527.37396	17.8
537.89423	1.4
545.38416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17178	1.4
53.03935	5.2
55.01880	4.0
55.05272	2.4
55.05516	31.6
57.03440	9.3
57.07065	5.4
65.03957	2.4
67.05507	62.5
69.03423	2.2
69.07070	21.5
69.35065	12.8
71.05000	4.4
71.08643	1.7
79.05499	48.6
81.03426	14.8
81.07059	65.2
83.04970	6.2
83.08623	16.8
85.06553	3.7
89.72544	1.5
91.05486	40.4
93.07046	50.0
95.04973	12.0
95.08607	40.3
95.09068	1.0
96.50447	1.4
97.06535	6.1
97.10162	12.9
98.20782	3.4
99.08075	2.0
103.05483	2.1
105.04516	1.7
105.07034	38.1
107.04958	6.5
107.08602	27.7
109.06537	6.7
109.10159	21.3
111.08096	4.8
115.05476	2.5
116.06207	1.4
117.07005	16.9
119.08593	34.0
121.06521	5.7
121.10149	23.2
123.08101	3.0
123.11742	7.4
125.09622	6.9
128.06230	5.3
129.07008	16.7
131.08569	33.4
133.06522	2.5
133.10136	21.8
135.08069	3.6
135.11731	9.4
137.09663	2.0
141.06961	3.3
142.07729	3.5
143.08594	18.6
144.09344	2.3
145.06490	2.3
145.10132	29.2
147.08078	3.6
147.11687	18.6
149.09616	2.2
149.13275	8.9
155.08559	10.3
156.09364	1.9
157.10147	16.8
159.11691	23.3
161.09653	1.9
161.13275	8.1
163.11198	2.8
163.14793	3.1
167.08568	3.4
169.10141	10.0
171.11699	15.5
173.13283	15.2
175.11177	2.7
175.14822	5.8
177.12798	3.4
177.16382	2.3
179.08609	2.6
181.10161	3.2
183.11722	10.0
185.13231	14.0
187.11281	2.0
187.14848	6.9
187.78323	1.6
188.39252	1.5
189.11282	3.4
189.12779	1.5
189.16464	2.4
193.12329	5.9
195.11699	3.8
195.13826	2.1
197.13290	5.5
199.14851	6.4
201.16403	5.1
209.13246	3.0
211.14929	3.8
213.16394	4.5
221.13364	1.5
223.14867	2.8
225.16521	3.3
227.12791	7.0
241.19543	5.4
243.21140	4.5
247.16794	1.8
249.14558	1.5
259.16757	1.5
259.20599	11.8
261.22244	5.7
267.15869	14.2
267.21164	2.0
269.17386	7.8
275.19989	2.1
277.21338	1.4
279.23285	1.7
285.22137	2.4
299.23767	3.9
301.22104	1.8
301.25195	8.6
303.22958	1.8
311.23663	1.8
315.23050	2.2
325.25461	1.9
333.24399	5.5
335.25864	11.4
341.24646	2.0
355.26407	2.9
417.31577	5.6
421.25522	2.4
423.32730	2.7
425.34152	5.1
435.32642	18.6
443.35254	1.7
453.33652	19.1
454.33438	1.7
471.34616	15.0
497.35886	1.9
499.37891	4.7
509.36282	6.7
515.37299	3.6
517.38892	16.1
527.29132	2.7
527.37317	88.9
545.38373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01868	4.0
55.05268	1.7
55.05514	25.0
57.03451	5.8
57.07064	2.2
65.03934	2.7
65.31396	1.0
67.05505	57.7
69.03419	3.0
69.07072	16.4
71.04985	4.0
71.08644	1.3
79.05498	33.7
79.98241	0.9
81.03420	23.8
81.07060	47.5
83.04983	4.7
83.08623	17.7
85.02893	1.4
85.06544	2.9
91.05481	30.1
93.07047	32.7
93.09185	1.0
95.04975	16.7
95.08611	32.4
97.06533	5.6
97.10170	15.3
103.05470	1.7
105.07039	26.0
107.04953	4.4
107.08598	22.6
109.06524	4.3
109.10162	19.6
111.08105	3.9
115.05454	1.5
117.07025	10.2
119.08581	22.2
119.09380	2.1
121.06504	4.6
121.10135	15.5
123.08065	3.4
123.11698	7.0
125.09631	12.5
128.06248	2.1
129.07033	9.4
131.08578	23.5
133.06461	3.3
133.10139	20.5
135.08052	4.3
135.11705	10.5
137.09639	3.6
141.06969	1.7
143.08549	6.8
145.06474	1.5
145.10120	14.7
147.08035	3.0
147.11702	11.9
149.09637	3.3
149.13231	6.3
153.09155	1.8
155.08536	3.2
157.10138	9.2
159.08157	2.4
159.11700	13.3
161.09651	1.4
161.13260	6.3
163.11189	2.5
163.14854	2.0
169.10161	3.8
171.10249	2.4
171.11731	6.0
173.09637	2.1
173.13261	7.6
175.11205	3.2
175.14903	3.2
181.10068	1.4
183.11661	2.7
185.13287	5.0
187.11125	1.7
187.14748	5.3
189.11272	6.7
189.16435	1.1
191.14378	1.2
193.12231	6.8
195.11795	1.7
197.13214	2.9
199.14812	3.3
201.12706	1.3
201.16394	1.9
211.13258	2.8
211.15002	1.5
213.16383	2.1
219.13841	1.3
223.14986	1.8
227.12747	11.5
233.15341	1.9
241.19655	1.9
243.21164	3.4
247.17120	2.4
249.14810	2.4
259.20636	2.5
261.22174	10.2
267.13068	1.5
267.15906	25.9
269.17511	3.5
273.18832	1.3
285.22150	3.4
287.20068	1.9
299.23782	1.8
301.21912	1.9
301.25238	12.7
303.23239	3.0
317.24915	1.6
327.23206	1.7
329.20981	1.9
335.25864	14.3
341.24878	1.5
359.25809	2.1
403.25082	1.3
417.31320	2.2
421.25891	4.5
425.33966	1.4
427.73441	1.0
435.27249	2.6
435.32727	7.0
453.33722	12.4
471.34882	9.8
475.30228	1.7
489.35965	1.7
509.36044	3.2
517.24109	1.2
527.37335	58.9
545.38379	100.0
546.38312	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	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01864	2.2
55.05270	1.1
55.05513	17.4
57.03446	6.7
65.03935	2.3
67.05505	42.1
69.03419	2.6
69.07066	11.3
71.04999	5.6
79.05494	39.6
81.03419	30.3
81.07055	40.0
83.04987	7.0
83.08627	15.4
85.02431	1.1
85.02911	13.1
85.06530	1.7
91.05480	31.7
93.07044	40.2
94.23167	0.8
95.04967	16.3
95.08608	25.5
97.02888	2.0
97.06540	4.3
97.10176	5.0
98.21498	3.0
99.08078	1.3
105.04543	1.4
105.07031	23.3
107.04958	3.1
107.08594	18.9
109.06517	4.1
109.10150	8.9
111.08084	6.6
113.06016	1.2
115.05433	1.3
117.07008	5.5
119.08581	20.5
121.06512	1.3
121.10144	16.2
123.08054	1.6
123.11707	2.9
125.09631	3.8
129.07007	6.9
131.08569	12.9
133.10146	11.2
135.08055	1.4
135.11696	8.2
137.09662	1.6
137.13226	0.9
142.07822	1.0
143.08586	2.3
145.10107	8.3
147.08061	1.0
147.11681	12.0
149.09621	2.9
149.13260	3.7
155.08557	1.1
157.10118	7.0
159.11673	6.7
159.42499	0.9
161.13280	3.6
165.12766	1.1
169.10182	0.9
171.11707	2.0
173.13274	4.2
175.11172	7.8
175.14844	1.1
183.11766	1.8
185.13223	1.1
187.14828	1.6
189.11208	1.6
193.12242	31.3
201.16278	1.0
211.13281	30.1
227.12759	1.7
243.21114	1.6
247.14511	0.9
247.16957	0.9
249.14732	1.0
261.22119	5.8
267.15884	7.0
267.62714	0.8
301.25299	3.7
317.24667	1.7
335.25754	4.6
398.15576	1.0
402.11237	0.9
435.32858	2.4
453.33774	2.2
471.34747	2.8
509.36038	1.8
527.37317	19.5
545.38391	100.0
546.39178	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01868	2.2
55.05514	21.5
57.03444	7.5
57.07075	2.3
64.55717	0.9
65.03933	2.0
67.05507	46.9
69.03420	2.5
69.07069	12.1
69.23596	9.0
71.04996	4.9
77.03960	1.3
79.05495	38.8
81.03423	29.2
81.07062	42.8
83.04969	7.3
83.08624	17.6
85.02911	14.7
85.06550	1.6
91.05484	34.6
93.07047	37.3
95.04973	19.7
95.08609	30.5
95.09063	0.6
97.06543	4.8
97.10166	8.3
98.20718	2.2
99.08109	1.1
100.93997	1.1
105.04503	2.2
105.07037	26.4
107.04949	4.1
107.08595	19.8
109.06501	3.2
109.10168	11.4
111.04427	1.4
111.08087	6.2
113.06023	1.1
115.05452	1.3
117.07013	8.8
119.08591	18.5
121.06548	2.0
121.10152	17.5
123.08090	2.4
123.11733	4.2
125.09647	4.7
129.06979	6.8
131.08565	16.3
133.06503	2.4
133.10124	12.3
135.08122	1.8
135.11678	7.5
137.09613	1.8
141.06993	1.6
142.07730	1.9
143.08551	2.5
145.10104	9.1
147.08040	2.6
147.11687	11.6
149.09653	3.7
149.13292	3.8
153.09108	1.2
155.08574	2.3
157.10141	8.1
159.11717	5.7
161.13234	3.5
163.11174	1.0
163.14789	1.1
165.12755	1.5
169.10056	2.0
171.11716	2.6
173.13260	6.6
175.11174	6.9
175.14880	2.9
181.10138	1.1
183.11746	1.2
185.13298	2.4
187.14862	2.9
189.11244	1.3
190.34306	1.1
193.12242	22.3
195.11797	1.6
199.14893	1.5
211.13281	27.0
227.12837	3.3
243.21173	1.5
261.22067	5.4
267.15900	9.6
279.23087	1.1
285.22073	1.7
291.77344	1.2
299.23666	1.8
301.25284	5.2
317.24622	1.5
335.25848	7.6
359.26364	1.3
368.71448	1.0
435.32706	3.6
453.33517	4.6
471.34738	3.3
509.36038	1.7
527.37274	23.6
545.38391	100.0
546.38617	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.1
53.03933	4.3
55.01863	3.6
55.05515	25.8
56.48853	1.1
57.03435	7.6
57.07069	1.9
64.77267	1.1
65.03940	2.7
65.35799	1.0
67.05508	54.2
68.13845	1.1
69.03429	3.5
69.06788	1.1
69.07077	12.9
70.56877	2.3
70.57211	2.2
71.04999	2.4
79.05496	34.1
81.03418	22.7
81.07056	48.0
83.04977	4.4
83.08624	16.8
85.02926	1.6
85.06549	3.4
91.05484	26.5
92.61767	1.0
93.07047	36.9
95.04970	15.1
95.08609	35.8
97.06544	3.1
97.10166	15.6
105.04519	1.3
105.07035	22.8
107.04974	5.7
107.08592	20.8
109.06544	5.2
109.10169	21.3
111.08082	4.0
117.07018	13.5
119.08580	21.3
121.06506	7.3
121.10139	17.2
123.08081	3.4
123.11713	6.9
125.09630	13.7
128.06252	1.3
129.07005	7.2
130.07683	1.1
131.08572	16.3
133.06503	2.6
133.10130	16.0
135.08070	5.8
135.11699	11.4
137.09660	3.6
137.13234	1.4
141.07027	1.6
143.08533	7.6
145.06410	1.2
145.10118	11.5
147.08076	3.2
147.11685	11.3
149.09613	3.6
149.13297	5.0
151.11223	2.4
153.09094	1.0
155.08542	2.3
157.10130	9.1
159.08063	1.4
159.11674	10.7
161.09618	3.0
161.13277	6.2
163.11224	3.3
163.14827	2.1
165.12714	1.3
169.10162	3.1
171.10295	2.2
171.11700	5.7
173.13249	8.8
175.11200	2.9
175.14810	2.7
177.12816	1.8
183.11732	4.0
185.13289	3.9
187.11119	1.6
187.14854	3.4
189.11209	8.0
189.12717	1.7
189.16347	2.0
193.12245	8.9
197.13332	1.7
199.14803	3.1
201.16518	2.0
203.18010	1.4
211.13194	2.5
211.14986	2.2
213.12807	1.2
215.18167	1.2
223.14944	1.2
227.12785	9.5
233.15494	1.5
243.15939	1.3
243.21083	3.3
247.16962	3.0
249.14844	1.7
261.22128	10.3
267.15891	22.4
279.23193	2.0
285.22037	2.3
287.20197	2.2
299.23654	2.2
301.25180	13.5
303.23190	1.4
309.20990	1.1
317.24835	3.0
319.22241	1.1
335.25879	13.2
359.25821	3.0
403.24792	1.9
417.31369	2.0
421.25955	3.8
435.27499	1.8
435.32596	6.8
449.28638	1.2
453.33746	12.9
471.34924	9.3
509.36057	2.2
527.37360	52.9
545.38397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
55.05512	2.6
57.03443	0.7
57.07079	29.0
59.04988	1.0
67.05505	3.7
68.05852	0.6
69.07064	6.7
71.08636	43.9
73.02903	0.6
73.06564	7.1
75.47256	0.6
79.05503	3.0
80.05840	0.6
81.03424	1.4
81.07051	4.4
83.04994	0.6
83.08610	1.5
87.03999	0.7
87.04485	7.0
89.06036	100.0
91.05486	2.7
91.07595	1.1
92.05814	1.1
93.07044	3.5
95.04979	0.8
95.08615	2.2
97.06520	0.8
97.10147	0.8
105.07043	3.2
106.07401	1.1
107.07088	2.0
107.08605	2.6
109.06557	0.7
109.10159	1.3
113.13290	4.1
117.07035	1.7
117.09141	6.7
119.08587	2.3
121.06528	0.6
121.10128	1.0
130.08675	2.5
131.07031	2.1
131.08582	1.9
133.08611	48.1
135.10191	0.9
135.11734	0.6
140.76456	0.5
143.08647	0.8
145.10172	1.4
147.11711	0.7
157.15883	8.3
159.11737	0.7
160.11977	0.6
161.11774	2.5
169.10040	0.7
175.09685	1.1
177.09666	1.3
177.11224	20.0
181.10025	0.6
183.11708	0.7
189.11275	0.6
198.18610	1.7
201.18506	14.7
201.20406	0.7
202.21295	0.6
221.13835	5.2
239.14943	0.9
245.21129	9.6
261.72260	0.6
265.16513	1.5
270.07672	0.6
278.22107	0.7
283.17615	1.5
309.19345	0.7
327.20255	1.8
371.22943	0.9
415.25479	3.9
439.32767	0.9
452.32510	1.0
483.35217	1.7
526.36200	2.2
527.37933	13.4
544.36639	10.0
545.39142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05517	27.9
57.07084	9.2
67.05507	2.2
69.07073	13.4
69.24168	5.0
71.05009	0.6
71.08630	1.8
73.06558	1.8
79.05491	0.7
80.08308	0.5
81.03382	0.5
81.07068	5.6
83.08627	57.1
85.02924	0.9
87.04475	5.8
89.06040	100.0
91.07587	0.7
92.85935	0.5
95.05003	0.6
95.08633	3.0
95.69621	0.5
97.10180	17.7
97.10789	1.2
107.07082	3.8
109.10142	1.6
117.09167	1.7
123.11691	0.6
130.08641	1.5
131.07036	1.8
133.08615	56.7
135.10054	0.5
151.09677	4.2
155.14404	1.2
157.15887	3.9
170.73367	0.6
175.09706	1.3
177.11235	26.9
195.12280	3.0
201.18549	2.4
221.13850	5.0
227.20117	1.3
239.14977	2.4
245.21181	9.6
265.16479	1.3
269.20328	0.6
271.22693	1.1
279.13165	0.6
283.17636	3.3
289.23691	5.3
309.19138	0.7
327.20239	2.1
333.26355	2.4
364.50839	0.6
371.22784	8.9
377.29025	1.8
421.31528	1.1
439.32889	1.3
449.78256	0.6
465.34027	0.9
467.55002	0.7
483.35382	1.9
509.37067	3.3
521.36713	0.5
527.37988	26.5
544.40948	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3685
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03944	1.8
55.01869	3.1
55.05515	15.1
55.99379	0.7
57.03434	3.8
57.07071	1.2
59.04998	1.1
59.30787	0.7
60.51178	0.7
60.71162	0.7
61.17079	0.7
65.03930	0.8
67.05509	22.3
67.24316	0.7
69.03431	1.1
69.07068	6.9
69.30415	1.6
69.30822	5.1
71.04999	1.4
79.05501	16.8
80.39252	0.8
81.03433	5.4
81.07060	18.3
83.04982	1.7
83.08623	7.8
85.06488	0.8
91.05488	14.8
93.07053	14.9
95.04979	4.5
95.08612	9.8
97.02882	0.7
97.06531	1.5
97.10164	6.1
98.21628	1.3
105.07037	14.7
107.04961	2.4
107.08607	8.6
109.06560	1.7
109.10162	7.7
115.05487	1.1
117.07025	8.1
119.08584	10.1
121.06517	2.3
121.10128	5.4
123.08081	2.1
123.11741	1.7
125.09636	6.0
128.06233	1.7
129.07005	8.9
130.07840	1.0
131.08580	13.2
133.06476	1.4
133.10155	7.0
135.08086	2.3
135.11726	2.5
136.81104	0.7
137.09636	1.3
141.06999	1.9
142.07805	2.0
143.08574	8.8
144.09315	1.2
145.06485	1.9
145.10124	10.4
147.08104	1.8
147.11691	4.9
149.09694	1.1
149.13263	1.1
154.07814	1.3
155.08569	5.1
157.10158	8.3
157.58904	0.7
159.08058	2.2
159.11722	7.4
161.09598	1.8
161.13280	2.3
163.11250	0.8
167.08595	2.3
167.56366	0.8
168.09425	0.8
169.10176	5.6
171.08046	1.5
171.11699	6.2
173.09648	1.8
173.11865	1.1
173.13315	6.0
175.11221	1.1
175.14792	0.8
181.10181	4.4
183.11734	5.1
185.09599	1.2
185.13255	3.8
187.11220	2.7
187.14905	2.5
189.11240	1.6
193.10240	1.4
193.12271	2.3
195.11807	3.9
197.13286	3.7
199.11247	1.7
199.14841	3.0
201.12665	0.8
201.16312	1.0
207.11722	1.6
209.13330	2.3
211.14856	2.3
213.12801	1.2
213.16470	1.2
215.14297	0.7
219.11816	0.9
223.14853	1.5
227.12656	3.4
229.14352	1.1
235.14876	1.7
237.16406	0.8
249.16539	0.8
259.20682	3.0
267.15884	3.4
271.17105	0.9
277.37247	0.8
283.17444	1.0
283.20706	2.0
297.22223	1.9
299.20645	1.1
299.23706	4.0
307.20663	0.9
315.23141	1.5
327.23276	1.1
333.24518	0.8
339.23187	1.3
343.22845	0.8
346.78452	0.7
353.24796	1.0
415.30096	1.6
421.25986	0.9
423.32724	1.6
433.31073	7.1
451.32059	8.5
469.33221	4.1
487.34445	0.9
507.35294	1.7
515.37524	1.4
525.27759	1.1
525.35681	20.0
543.36859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12125	0.6
53.03949	1.8
55.01870	2.6
55.05272	0.9
55.05517	13.5
57.03440	3.3
57.07081	0.9
59.04997	1.4
65.03933	1.6
67.05511	23.8
69.03437	1.0
69.07081	7.7
71.04983	1.7
79.05072	1.0
79.05503	17.4
81.03421	5.1
81.07066	17.7
83.04986	2.1
83.08624	7.4
85.02918	0.9
85.06566	1.0
91.05486	17.5
93.07051	16.9
95.04968	3.9
95.08614	11.5
97.06569	2.1
97.10181	7.7
98.21516	1.8
105.07044	14.8
107.04963	2.1
107.08595	9.0
109.06554	1.9
109.10166	8.5
111.08105	1.8
115.05457	1.4
117.07033	11.4
119.08601	11.5
121.06514	2.4
121.10150	5.7
123.08083	1.6
123.11748	2.0
125.09666	5.2
128.06223	3.0
129.07007	8.7
130.07794	0.7
131.04919	0.8
131.08574	16.5
133.06505	1.8
133.10147	9.5
135.08072	2.0
135.11734	3.1
137.09665	1.4
141.06989	3.3
141.73102	0.6
142.07843	2.4
143.08568	9.5
145.06511	2.1
145.10155	11.5
147.08020	1.1
147.11694	5.9
149.09660	1.5
149.13287	1.7
153.07079	0.9
154.07716	0.8
155.08592	6.1
156.09384	0.9
157.06493	0.9
157.10139	9.4
159.08064	1.5
159.11707	7.7
161.09686	1.3
161.13269	3.4
163.11243	1.3
165.07097	0.7
167.08656	2.5
168.09329	1.0
169.10155	7.9
171.08095	1.4
171.10243	1.1
171.11684	7.3
173.09663	1.9
173.11894	1.4
173.13301	5.1
175.11258	1.6
175.14871	1.7
179.08585	1.1
181.10179	3.5
182.10994	0.9
183.11725	6.2
185.09718	1.9
185.13289	5.1
187.11211	1.6
187.14851	2.6
189.11230	1.4
189.12825	1.1
193.10327	0.9
193.12273	2.3
195.11685	3.6
197.13307	3.9
199.11215	0.8
199.14836	3.0
201.12804	0.9
202.57033	0.6
203.14291	0.6
207.11778	1.1
207.13831	0.6
209.13353	3.1
211.14891	2.3
213.12828	0.7
213.16478	1.4
215.14635	0.6
221.13335	0.9
223.14909	2.6
225.12796	0.7
225.16510	1.2
227.12817	1.7
229.14406	1.8
229.43376	0.6
233.15463	0.9
237.16556	1.1
241.19585	1.1
247.14981	1.0
257.18878	0.7
259.20621	3.6
263.18085	0.8
267.16031	2.4
270.85330	0.6
277.21841	0.8
283.20627	1.3
285.18646	1.1
297.22269	2.6
299.20486	1.2
299.23758	4.3
301.21548	1.3
311.20285	0.9
313.21796	1.0
315.23157	1.7
333.24377	1.5
339.23154	1.8
353.24832	1.0
357.24417	1.3
371.25989	1.1
415.29782	2.1
421.26019	0.8
423.32681	1.9
433.31070	6.4
451.27542	0.7
451.32309	8.8
469.33087	4.5
506.08719	0.9
507.34756	1.6
515.37231	1.6
525.35828	20.4
543.36859	100.0
544.37286	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
54.02761	0.7
55.01883	2.1
55.05515	13.5
57.03449	4.2
57.07076	0.8
65.03935	1.0
67.05510	22.1
69.03424	2.1
69.07079	8.4
70.35368	0.7
71.05006	1.3
79.05503	16.6
79.05964	0.8
81.03430	6.4
81.07059	22.1
83.04980	2.6
83.08628	8.1
85.02896	1.3
85.06541	2.4
91.05495	18.1
93.07050	14.5
95.04972	6.3
95.08619	12.5
97.06538	2.2
97.10172	7.1
99.08092	1.0
105.07038	17.7
107.04967	2.6
107.08595	10.6
109.06516	2.4
109.10168	9.4
110.27618	0.7
111.08068	1.3
115.05451	1.7
117.07028	11.1
118.29552	0.7
119.08594	12.9
121.06532	2.3
121.10172	5.9
123.08066	1.0
123.11758	1.2
125.09658	5.5
127.07474	0.7
128.06218	1.5
129.07016	9.7
131.04967	1.0
131.08578	16.7
133.06517	2.1
133.10144	8.4
135.08124	1.5
135.11710	3.3
137.09641	1.3
141.07018	3.1
142.07806	2.7
143.08562	10.7
145.06512	2.5
145.10138	11.8
147.08080	1.4
147.11728	5.6
149.09630	1.7
149.13264	1.4
151.11230	0.9
153.07010	1.0
155.08566	6.3
156.09380	1.0
157.10153	11.4
159.08075	2.1
159.11714	9.2
161.09654	1.8
161.13242	3.7
163.11182	1.0
167.08601	2.4
169.10152	6.3
171.08080	2.4
171.10228	1.4
171.11685	7.2
173.09581	1.4
173.11859	1.5
173.13312	5.1
175.11215	1.7
175.14847	1.3
177.12779	0.8
179.08569	1.3
181.10185	3.6
183.11697	5.9
185.09714	1.8
185.13260	5.8
187.11284	1.2
187.14876	1.5
189.11258	2.0
189.12823	1.2
192.09233	0.8
193.10248	1.4
193.12341	2.5
195.11769	4.0
197.13329	4.3
199.11324	1.8
199.14822	3.8
201.12750	1.2
207.11737	1.7
209.13300	3.1
211.13168	1.2
211.14897	2.0
213.12781	1.3
213.16359	1.2
221.13307	1.6
223.14877	1.8
225.16447	1.8
227.12764	1.9
229.14326	1.4
235.14844	1.4
237.16425	1.5
241.19537	1.2
259.20685	4.7
267.16003	3.1
273.18674	0.8
283.20596	2.4
297.22189	3.4
299.23734	5.6
301.21765	1.5
315.23318	1.1
321.21707	0.9
327.23267	1.0
333.24243	2.6
339.23160	2.0
341.24796	0.8
371.25970	0.9
403.24753	1.1
410.47443	0.7
415.29858	1.9
423.32629	2.6
433.31055	6.2
451.32138	8.7
469.33096	5.3
471.32022	1.5
487.34229	1.4
507.34613	2.3
515.37445	2.0
525.28387	0.8
525.35773	20.0
543.36859	100.0
544.37640	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3685
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03947	1.1
55.01869	1.8
55.05515	13.9
57.03446	3.0
57.07073	1.4
61.88370	0.6
65.03946	0.9
67.05511	21.7
68.16698	0.5
69.03436	1.3
69.07076	6.6
71.04998	2.0
79.05501	16.1
81.03426	5.4
81.07066	16.9
83.04975	1.7
83.08627	6.7
85.06569	1.2
91.05491	15.8
93.07053	13.6
95.04971	4.4
95.08612	9.6
97.06554	1.3
97.10179	5.7
98.21571	1.1
102.21300	0.6
103.05466	0.9
103.68941	0.5
105.07040	14.7
107.04969	2.2
107.08601	10.0
109.06552	1.9
109.10169	7.3
111.08101	1.0
115.05458	1.2
117.07028	8.8
119.08590	9.8
121.06517	2.6
121.10152	3.9
123.08060	1.5
123.11732	0.9
125.09659	4.1
128.06264	2.2
129.07011	7.7
130.07817	0.8
131.08574	13.1
133.06517	1.3
133.10132	7.2
135.08073	2.1
135.11679	2.8
137.09601	0.8
141.07018	3.6
142.07817	1.5
143.08578	10.0
145.06493	2.3
145.10141	11.5
147.08087	0.9
147.11699	4.3
149.09624	1.2
149.13280	1.4
151.11226	0.8
153.06984	0.6
155.08565	4.8
157.06520	0.9
157.10153	10.8
159.08092	2.4
159.11720	7.6
161.09676	1.1
161.13271	2.7
163.11247	1.8
167.08617	2.8
168.09425	0.8
169.10152	6.5
171.08020	0.7
171.10228	1.0
171.11699	6.2
173.09651	2.6
173.13252	4.0
175.11218	1.8
175.14798	1.0
177.12892	0.6
179.08556	1.0
181.10175	3.7
183.11702	4.6
185.09688	1.3
185.13249	4.7
187.11249	1.5
187.14871	1.7
189.11259	1.9
189.12840	1.2
193.12331	1.8
195.11710	3.4
197.13301	3.3
199.11256	1.4
199.14880	3.3
201.12767	1.2
207.11810	1.2
209.13350	2.2
211.11308	0.8
211.14874	1.6
213.12817	1.0
213.16481	1.4
215.14337	0.7
221.13306	1.6
223.14914	2.0
225.12698	0.8
225.16426	1.0
227.12715	1.4
227.17995	1.0
229.14388	1.5
229.29608	0.8
231.17622	0.7
237.16454	1.4
241.19644	0.8
247.17082	0.7
257.18991	0.7
258.87854	0.6
259.20718	2.8
267.15854	3.7
279.21149	0.6
283.20587	1.7
297.22208	2.2
299.23679	4.4
301.21765	1.4
313.21640	0.9
315.23166	1.0
325.21570	0.8
327.23254	0.8
333.24365	1.6
335.23996	1.0
339.23209	1.5
353.24628	1.0
357.24442	1.1
415.30035	1.6
423.32724	1.6
433.31052	5.5
451.32114	8.7
469.33264	4.3
476.14139	0.6
487.34601	1.0
489.33743	0.9
507.34521	1.9
515.37500	1.9
525.35809	21.0
543.36865	100.0
544.36938	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01868	1.3
57.03438	7.6
61.02932	1.0
69.75195	3.1
69.75594	1.7
71.04997	48.1
75.04491	1.6
83.04986	1.8
84.08133	1.1
85.02910	52.0
87.04468	1.9
98.21519	1.0
109.02939	1.1
111.04498	1.0
129.05495	9.7
139.03880	1.2
199.10777	0.9
203.10681	1.3
213.47130	0.9
217.04974	2.3
218.05771	5.1
219.06538	1.7
220.07243	1.1
230.05679	1.3
231.10199	8.6
235.09654	6.7
243.06601	2.5
244.07417	2.9
245.11647	4.3
247.09680	84.4
248.06924	4.8
248.10419	4.9
258.08771	2.3
259.09662	9.5
259.12216	1.2
259.13260	1.0
261.11111	1.8
271.09558	1.3
272.10452	1.2
273.08060	2.0
273.11206	17.1
277.10721	100.0
278.11197	1.1
285.11121	1.6
287.12808	9.9
295.05908	1.3
297.11108	3.2
301.10721	40.8
313.07327	1.5
313.10718	11.8
315.12244	3.1
325.10724	10.8
331.11792	24.9
343.07874	1.7
343.11768	17.7
361.12756	15.7
379.13913	43.8
397.14951	95.1
507.09375	1.2
523.01807	1.2
543.22394	1.3
543.31763	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.05501	1.5
57.03440	9.1
69.03421	1.0
69.74837	5.5
71.04996	47.1
73.02891	1.7
74.33408	0.9
75.04465	2.3
81.07027	1.3
83.04989	0.9
85.02909	48.7
85.06506	1.1
87.04443	1.6
88.41181	0.9
98.21440	1.4
118.16278	0.9
121.10135	1.4
129.05504	8.8
137.02284	1.0
139.03864	1.6
145.10118	1.3
147.06508	1.2
158.67601	1.1
164.34364	0.9
184.54414	1.0
192.18382	1.1
203.10565	1.4
206.05763	1.2
206.38821	1.0
217.05066	1.3
218.05664	4.2
219.06432	2.3
230.05724	2.7
231.10181	10.2
235.09579	4.8
243.06410	2.7
244.07353	3.4
245.11717	4.7
247.09677	94.1
248.06747	4.8
248.10426	5.2
259.09680	9.3
259.12231	1.4
259.13132	1.3
261.11185	1.9
268.07047	1.2
269.11777	1.8
271.09598	2.3
271.12991	0.9
273.07761	2.7
273.11160	18.3
277.10712	100.0
285.11264	2.2
287.12796	12.3
295.06088	1.0
297.11084	3.3
301.10718	45.4
306.61356	1.0
313.10669	11.6
315.12363	2.7
325.10602	12.5
331.11819	23.4
343.11771	20.3
361.12827	16.9
379.13876	42.8
397.14957	97.8
473.61075	1.0
507.08917	1.8
543.22052	2.2
543.31378	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.3
53.03946	6.5
55.01865	2.8
55.05269	1.1
55.05517	17.7
56.37355	0.9
56.56989	0.8
57.03432	2.7
57.07080	4.8
65.03928	4.5
65.24387	0.9
67.05506	59.0
67.74841	0.8
69.03419	1.2
69.07070	14.6
70.06587	1.8
71.05004	1.9
71.08641	1.4
73.06555	1.2
77.03935	1.8
78.04704	1.0
79.05495	73.4
81.03410	7.8
81.07062	48.6
83.04970	8.1
83.08626	9.1
85.06530	1.6
88.07639	3.9
89.06031	1.1
91.04903	1.9
91.05483	49.9
93.07045	60.6
95.04972	13.5
95.08610	36.1
97.02869	1.4
97.06534	4.7
97.10164	4.4
99.08130	1.3
102.09193	3.3
103.05440	1.3
103.20487	0.9
105.04528	2.6
105.07036	34.9
107.04947	4.4
107.08598	24.1
108.46738	0.9
109.06535	5.1
109.10161	9.6
111.08057	1.0
117.07021	10.1
119.07801	1.6
119.08591	20.2
119.09374	1.8
121.06553	1.3
121.10154	15.1
123.08074	4.2
123.11717	2.3
124.40797	0.9
125.09599	1.4
128.06212	2.4
129.07010	13.1
131.08574	8.3
133.10135	10.2
135.08095	0.9
135.11694	7.8
141.06915	1.4
141.09119	0.9
143.08572	4.8
145.10123	10.3
147.08063	1.8
147.11699	24.8
149.13228	4.0
157.10158	2.5
159.11714	4.1
161.09720	4.4
161.13242	11.0
169.10217	1.7
171.11696	19.2
173.13297	3.2
175.14854	1.9
187.14792	1.3
189.12744	8.0
207.13817	20.6
225.14899	1.5
243.21114	1.8
256.26315	5.3
257.26785	2.9
261.22266	3.2
281.17590	1.8
311.29422	6.5
312.29932	3.4
317.24857	2.2
449.33978	0.9
475.35565	0.9
523.38092	2.0
540.53448	5.3
541.38989	100.0
541.52881	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	543.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.1
53.00272	0.1
53.03943	0.6
55.05502	0.5
56.92401	0.1
67.05495	0.5
68.99783	0.5
69.03410	0.2
69.07056	0.6
69.86929	0.3
69.87338	0.5
70.06594	0.2
70.48650	0.1
70.56844	0.1
79.05485	0.3
81.03418	6.2
81.07052	0.4
89.06021	0.5
91.05481	0.3
93.07064	0.2
95.04962	0.2
95.08650	0.3
96.02111	0.6
97.10184	0.3
105.07055	0.2
107.08596	0.5
109.02872	0.5
109.10172	0.3
111.00797	0.1
111.11749	0.2
115.05449	0.2
119.04990	0.3
119.08603	0.2
121.10133	0.3
121.82912	0.1
123.04439	1.5
123.11646	0.2
125.09647	0.3
127.03905	0.5
129.07008	0.2
133.08617	0.2
133.10088	0.2
135.04399	0.2
135.11734	0.2
137.02344	100.0
138.02672	0.3
139.03963	0.2
143.04956	0.2
145.04884	0.2
147.04393	0.9
157.06441	0.2
161.05966	0.5
163.11147	0.2
181.06435	0.2
185.06056	0.3
187.03864	0.3
194.44270	0.2
205.06557	0.2
213.05496	0.2
215.07111	0.5
223.07581	0.4
231.06546	2.7
233.06172	0.2
243.06601	0.2
249.05489	0.3
251.07037	0.4
267.15778	0.2
271.06076	0.6
277.04895	0.3
279.06561	0.6
295.05972	0.7
295.67795	0.1
297.07620	2.1
311.05618	0.2
323.05453	0.3
323.13132	0.1
341.06601	0.3
387.08649	0.2
389.09973	0.2
405.09741	1.0
407.11276	6.6
433.09326	0.4
524.57025	0.2
525.28168	0.2
543.30829	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01568	0.6
50.95374	0.6
51.02366	1.2
53.03948	8.1
55.01862	2.1
55.05513	25.2
57.03432	2.1
57.07079	5.6
65.03956	5.6
67.05507	74.4
69.03425	2.0
69.07072	16.7
70.06577	2.6
70.77326	1.9
71.04989	2.5
71.08641	3.2
73.06563	1.5
77.03921	1.6
79.05496	85.6
81.03417	9.1
81.07059	59.8
81.07450	0.7
83.04987	10.7
83.08623	7.6
85.06528	2.2
85.10189	1.2
88.07646	4.5
88.40081	0.6
91.05485	65.6
93.07047	74.8
95.04974	18.0
95.08609	40.0
97.02905	0.9
97.06551	4.3
97.10171	3.6
98.21458	0.6
102.09200	2.0
103.05476	1.6
105.04518	3.8
105.07036	40.5
107.04945	6.0
107.08593	29.3
109.06525	5.9
109.10165	10.5
111.08100	2.3
111.11675	0.7
115.05463	1.5
117.07014	13.1
119.06087	1.0
119.08585	25.0
120.75410	0.7
121.06498	1.2
121.10152	18.0
123.08082	3.6
123.11727	2.3
127.07603	0.8
128.06239	2.5
129.07016	13.5
130.07806	0.9
131.08572	10.3
133.06520	1.2
133.10138	14.6
135.11710	9.2
137.09576	0.7
143.08562	7.9
145.10143	13.4
147.08049	1.7
147.11694	28.8
149.13272	3.3
155.08571	1.9
157.10162	2.3
159.11717	4.8
161.09628	3.5
161.13269	11.2
163.14842	1.5
165.12668	0.8
169.10133	1.8
171.11697	24.0
173.13274	3.1
175.14783	1.5
179.14333	1.3
183.11708	1.8
185.13361	1.2
187.14850	1.9
189.12737	8.3
195.11725	1.4
197.13246	1.0
201.16467	0.8
207.13806	24.2
225.14876	2.7
243.21019	1.2
256.26385	7.2
257.26682	3.9
259.20496	0.9
261.22180	3.7
281.17435	0.9
284.26749	1.0
284.29550	1.1
285.29938	1.4
289.13623	0.7
311.29477	5.5
312.29846	4.9
317.25055	1.6
335.25903	0.9
413.82953	0.7
449.34317	2.2
467.35147	1.0
523.37677	1.4
540.53717	4.7
541.38953	100.0
541.53308	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.9879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98633	0.4
56.96307	0.3
56.96567	4.3
58.49038	0.2
64.20255	0.2
69.42596	1.6
70.21277	0.2
71.95280	1.4
79.15717	0.2
98.97585	78.8
116.98624	38.7
130.93237	0.3
134.99663	10.7
140.00168	0.7
153.00725	0.7
154.93378	0.3
158.01266	0.4
172.94344	2.9
190.95413	2.8
208.96465	0.7
214.95407	3.3
230.93468	0.3
230.98534	0.3
232.96478	7.0
234.99925	0.3
240.98859	0.9
250.97566	3.3
256.96436	18.9
257.96967	0.3
258.99759	9.2
272.94501	0.5
274.97516	100.0
275.97864	0.8
276.97943	0.5
277.00803	9.4
277.03809	0.5
279.00650	0.3
282.01401	0.3
283.00024	0.9
290.95514	0.9
292.98566	48.1
293.98965	0.3
297.99097	2.8
298.97629	1.7
301.00992	0.8
302.01276	0.5
314.95560	0.9
316.00168	1.0
316.98822	2.2
332.96613	0.9
356.96640	0.4
374.97809	0.7
382.99841	0.7
398.97626	25.1
401.01010	3.1
414.95416	1.0
416.98700	46.7
417.98987	0.7
432.96576	0.7
434.99789	6.4
440.00403	2.7
440.98871	0.5
441.98663	0.3
456.96652	1.6
457.96161	0.3
458.99869	0.9
474.98203	0.3
498.97729	0.5
525.00610	0.4
536.02679	0.3
540.98822	19.0
541.99188	0.6
556.96747	0.5
558.96350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.8
53.03946	2.2
53.19976	0.7
54.90953	0.8
55.01876	6.1
55.05513	18.3
57.03432	2.5
57.07058	0.8
57.41199	0.7
57.78370	0.8
59.05011	0.9
65.03926	1.4
67.05508	26.7
69.03419	2.1
69.07071	14.5
69.18144	7.9
71.04975	2.6
79.05495	25.0
79.05829	0.6
81.03423	24.5
81.07063	26.0
83.04986	4.1
83.08626	9.0
85.06551	1.5
86.22196	0.7
91.05487	21.1
93.07043	17.6
95.04385	0.7
95.04979	12.5
95.08611	13.3
97.02924	0.7
97.06549	4.7
97.10159	7.4
105.07043	20.9
107.04958	7.3
107.08604	15.4
109.06539	4.3
109.10160	7.7
111.08122	1.8
115.05473	2.3
117.07018	8.6
119.08587	16.3
121.06496	4.6
121.10147	6.1
123.08105	2.1
123.11688	2.4
125.09628	7.0
128.06227	3.2
129.07016	11.2
130.07846	1.1
131.08571	14.7
133.06500	2.9
133.10138	10.2
135.08067	3.6
135.11714	3.1
137.06003	5.9
137.09654	2.0
141.07014	4.7
142.07787	3.5
143.08592	9.6
145.06516	3.7
145.10123	10.0
147.08028	3.3
147.11697	5.5
149.09634	6.2
149.13228	0.8
149.26129	0.7
151.11278	0.9
153.06982	1.2
153.09113	1.2
155.08562	5.5
156.09357	1.3
157.06528	1.3
157.10156	8.8
159.07980	4.7
159.11705	7.7
161.09624	2.5
161.13297	2.2
163.11189	4.1
165.07033	1.0
165.09013	0.8
165.12711	0.9
167.08614	3.2
168.09344	0.8
169.10172	6.3
170.10974	0.9
171.08072	2.6
171.11674	7.2
173.09619	3.7
173.11880	1.3
173.13306	3.1
175.11177	4.1
177.12604	0.8
179.08557	1.2
179.14311	1.8
181.10138	3.0
183.08049	1.4
183.11736	4.3
185.09644	2.6
185.13336	4.7
187.11212	3.1
187.14827	0.8
189.11227	3.1
189.12717	1.2
191.14380	0.9
193.10292	1.3
193.12248	8.2
195.11642	3.6
197.09663	1.1
197.13283	3.3
199.11171	2.4
199.14835	1.8
201.12717	1.5
202.41479	0.8
203.14331	0.8
207.11691	2.1
208.12204	0.9
209.13235	2.7
211.11159	1.7
211.14793	1.9
213.12738	0.9
215.14357	0.8
219.11810	0.9
221.13269	2.2
223.14931	1.3
225.16524	1.0
227.12564	1.3
233.13141	1.0
233.15451	0.9
235.14926	0.8
239.18047	1.2
249.14877	1.4
251.00098	1.3
257.19043	4.5
265.15897	0.9
267.15924	2.1
275.20105	16.3
279.21127	1.1
281.18958	1.5
283.20419	0.8
287.16483	0.8
293.21252	2.5
297.18851	0.9
297.22195	2.7
299.20047	1.6
311.20132	1.1
313.21674	1.0
323.20132	0.8
329.20984	0.9
331.22809	0.9
337.21649	1.2
353.24844	1.0
355.22687	1.8
363.13449	0.8
413.28378	1.3
415.25046	1.1
420.14774	1.8
429.26303	2.0
431.29419	3.9
443.28125	5.6
448.60059	0.8
449.30554	9.2
467.31714	6.9
475.17947	1.7
485.33011	1.5
505.32767	1.4
523.34143	9.1
541.35278	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52242	0.5
56.46816	0.5
56.78709	0.5
57.03422	0.8
61.02915	1.3
67.05499	0.6
69.03436	2.6
70.06578	0.5
71.41803	0.5
71.54700	0.5
71.55037	0.7
79.05507	0.9
81.03407	1.5
81.07059	1.2
85.02913	9.6
88.16657	0.5
91.05493	7.4
93.07028	0.9
94.04203	0.8
95.04966	2.7
95.08600	0.6
97.02906	2.5
97.06545	0.5
103.05453	1.3
105.07027	2.2
107.04948	1.5
107.08610	0.8
109.02889	1.1
109.06520	1.8
111.04448	0.8
111.38093	0.5
115.45026	0.5
117.06990	0.7
119.04956	6.6
121.06514	2.5
122.03643	2.3
127.03906	1.2
128.06244	1.2
129.07042	5.4
131.04907	2.8
131.08545	1.1
133.06503	0.6
135.08058	2.1
136.05199	0.7
137.05984	35.7
145.04985	1.5
145.06476	1.2
147.04393	0.9
148.05078	0.8
149.06000	5.8
151.03926	1.0
151.07552	43.6
152.06189	0.5
157.06473	4.3
161.05981	4.5
161.09576	1.2
163.07552	11.1
165.06995	1.9
165.09091	2.3
167.07353	0.8
167.08554	4.4
174.06793	2.1
175.07579	3.7
177.09113	4.5
179.08498	0.6
182.07364	0.7
186.11546	0.6
189.09122	16.0
193.06548	1.8
193.08516	0.6
193.10147	2.4
194.07300	0.8
195.08055	9.7
197.06036	0.6
201.09132	0.6
203.08649	1.4
206.07268	0.8
207.08350	0.9
207.10187	3.5
209.09662	1.5
210.06699	1.4
212.08279	1.3
219.10201	1.0
221.06013	3.8
221.09621	4.3
221.11586	0.9
223.07610	4.4
224.08340	1.2
225.09064	4.6
227.10681	14.1
237.09117	1.3
238.06392	0.8
239.07112	0.7
240.07872	0.9
241.12173	1.0
249.08989	3.5
250.09776	0.7
252.07872	0.8
253.08609	5.9
253.12236	7.8
255.06377	0.6
255.07405	0.9
255.10172	14.1
267.10165	3.3
269.08163	1.8
269.11755	0.8
272.10477	1.1
281.11746	2.2
284.10535	1.2
285.11212	9.3
287.09573	1.2
287.12790	24.6
293.11649	0.7
299.12860	0.9
311.12830	1.2
313.14352	20.9
331.15411	100.0
332.16025	0.7
343.15445	3.6
474.92471	0.6
508.03622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14963	0.6
51.74981	0.6
53.03955	1.5
53.08981	0.5
55.01875	1.3
55.05510	2.6
57.03426	1.9
61.02900	1.4
67.05510	9.4
69.03429	3.1
69.07080	5.4
71.04994	2.5
71.45731	0.6
71.52942	0.9
79.05499	5.3
81.03417	1.3
81.07062	32.5
83.04982	2.8
83.08613	3.6
85.02907	6.7
85.06538	2.0
87.04458	1.6
91.05484	9.7
93.07058	5.3
95.04985	1.7
95.08616	7.4
97.02896	3.9
97.06528	2.7
99.08123	1.5
105.07035	15.2
107.08603	7.4
109.06527	3.1
111.08109	1.0
113.06031	1.0
113.84249	0.7
115.03933	3.2
117.06941	0.8
119.08598	11.9
121.10157	12.0
122.03657	0.7
123.08081	2.3
123.11709	13.6
127.03931	0.9
127.07517	1.3
133.04970	1.0
133.10144	1.8
137.05998	5.6
137.13234	2.1
138.06308	2.0
145.04999	1.1
145.10173	0.6
147.11694	47.4
149.09602	0.9
151.07529	2.4
152.07875	0.9
157.10135	1.7
161.06018	1.2
163.07465	0.7
165.09026	0.9
165.12762	26.6
169.04994	1.3
175.07510	1.4
175.11195	2.8
176.07918	0.8
180.08713	2.9
183.13824	3.8
189.09019	0.6
193.12306	4.6
195.10187	1.3
196.10541	0.9
198.55199	0.6
211.07841	0.6
211.13333	2.5
229.14357	26.1
229.16592	1.3
236.13351	0.7
265.08591	0.8
266.08945	0.6
279.15979	2.4
297.11533	0.9
297.17001	19.6
298.11499	1.3
307.15564	1.3
312.13190	0.8
325.16470	100.0
337.14297	0.9
338.14771	1.2
343.17545	25.7
355.15417	0.7
356.15829	1.3
508.20654	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
61.02925	0.4
69.03419	1.1
69.23747	1.2
69.24172	1.9
70.06583	0.4
81.03436	0.5
81.07067	0.3
81.12460	0.3
85.02922	3.9
89.03824	0.3
91.05487	1.4
97.02894	1.2
99.04448	0.4
107.05027	0.5
109.02893	0.4
115.05476	0.8
117.07034	0.6
121.06508	0.4
127.03924	0.6
128.06178	0.6
129.06049	0.4
129.07027	6.6
131.04922	1.4
131.08575	6.4
137.06001	3.3
141.06990	4.6
143.04973	0.5
143.08568	0.5
144.05743	0.7
145.04910	0.8
145.06506	0.7
146.07249	0.5
147.04454	0.5
149.06064	0.4
151.07552	1.0
157.06497	4.7
158.07301	2.9
159.08078	6.5
160.05182	0.9
161.05998	0.5
161.09625	0.8
163.07533	0.7
169.06477	1.8
170.07248	0.9
171.08159	0.4
173.06049	0.4
173.09695	0.4
174.05258	0.6
174.06776	12.2
175.07526	2.3
177.09053	0.4
186.06767	3.1
187.07579	0.4
188.08315	0.6
189.09131	24.7
191.07054	0.4
191.10695	1.8
201.09132	8.4
207.10211	0.7
219.10190	100.0
220.10533	0.5
237.11211	0.8
271.55371	0.4
287.12830	0.4
303.05029	0.3
313.14224	0.5
331.15424	1.3
477.31320	1.2
540.30920	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
53.39339	0.2
55.01862	0.2
57.03425	0.6
61.02926	0.4
62.06190	0.2
67.05502	0.3
69.03433	1.1
69.98489	1.0
71.04979	0.3
77.79556	0.2
81.03423	0.6
85.02435	0.3
85.02915	3.7
91.05480	0.7
97.02898	1.4
98.21456	0.2
103.05428	0.3
109.02853	0.4
114.12560	0.2
114.65254	0.2
115.05467	0.7
117.07025	0.4
127.03928	0.6
128.06223	0.8
129.07019	4.2
130.07788	0.3
131.04922	0.5
131.08583	4.9
133.10161	0.3
137.06006	1.2
141.05984	0.3
141.07004	3.7
143.08554	0.3
144.05650	0.3
144.06610	0.2
145.04970	0.8
145.06479	0.5
146.07271	0.5
147.19328	0.2
148.05162	0.2
151.07541	0.3
157.06488	4.0
158.07298	1.5
159.06851	0.4
159.08080	5.3
160.05211	0.8
161.09636	0.6
162.07671	0.6
163.06238	0.2
163.07497	0.4
169.06493	2.8
169.07779	0.4
170.07318	1.0
173.06041	0.2
174.06779	9.5
175.07573	2.4
180.08742	1.2
183.08124	0.2
186.06770	2.4
187.07513	0.6
188.08336	0.5
189.09125	22.4
191.07095	0.2
191.10652	2.2
201.09109	7.5
207.10130	0.9
219.10173	100.0
220.10457	0.6
221.79558	0.2
237.11214	1.6
310.84763	0.2
381.15509	0.4
486.18045	0.2
529.90057	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	540.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30740	0.9
51.43638	0.9
54.69796	0.8
61.02933	1.2
62.55127	0.8
69.03432	1.8
70.01585	0.8
70.66320	1.9
81.03410	1.1
81.07039	2.0
85.02905	5.4
89.18211	0.9
91.05486	8.6
95.04960	2.2
97.02834	1.3
103.05446	1.7
105.07028	2.6
107.04974	2.0
109.06555	1.0
119.04978	8.7
121.06525	1.6
122.03608	1.0
128.06212	1.5
129.07039	6.0
131.04922	2.5
131.08583	3.0
135.08002	1.5
137.05991	34.8
141.07030	1.5
145.04993	2.2
145.06458	1.4
149.06010	6.8
151.03902	1.2
151.07567	50.1
157.06522	9.9
159.08102	2.7
161.05983	4.7
161.09566	1.2
163.07576	10.4
165.07014	2.0
165.09113	2.2
167.08598	4.8
169.06447	1.5
174.06784	8.8
175.07579	4.2
177.05351	1.0
177.09116	1.8
180.08609	0.9
186.06802	1.7
189.07420	1.5
189.09137	27.5
191.10716	1.1
193.06535	1.2
193.10156	2.8
195.08064	9.3
201.09099	3.8
203.08650	1.4
207.10219	2.5
208.60217	0.9
209.09737	1.5
210.06834	1.2
212.08301	2.2
219.10188	41.1
221.05965	3.9
221.09624	3.8
222.06767	1.1
223.07547	4.8
224.08310	1.6
225.09085	3.7
227.10683	16.7
237.09169	1.3
238.06343	1.5
240.07939	1.1
249.09154	3.1
250.10042	0.9
253.08578	5.0
253.12254	8.6
255.10237	14.9
267.10153	2.4
269.08185	2.1
269.11719	2.3
272.10367	2.2
281.11813	3.8
285.11273	10.9
287.12817	24.3
299.12808	1.3
301.14114	1.1
313.14380	31.1
331.15436	100.0
335.80609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62019	1.8
55.01872	2.0
55.05516	3.7
55.98027	1.7
57.07048	2.1
65.03951	2.4
66.91812	1.6
67.05502	5.3
69.03434	4.2
69.07067	8.0
69.38019	1.6
70.22062	4.3
70.22453	3.8
71.05012	2.6
73.27698	1.6
79.05520	9.6
81.03425	2.3
81.07053	23.1
83.04995	3.7
83.08617	3.0
84.08158	2.0
85.02903	4.5
85.06541	6.2
88.84173	1.8
91.05482	17.8
93.07043	11.2
94.04193	3.6
95.04977	6.4
95.08611	10.4
95.97659	1.9
97.02930	3.1
97.06541	3.1
97.10134	2.0
103.05472	5.7
105.07034	10.7
107.04954	5.7
107.08583	10.1
109.06553	3.2
109.10155	8.7
111.11728	1.9
115.05491	5.4
117.07019	5.2
119.04948	8.3
119.08598	7.7
121.06511	4.5
121.10146	9.1
122.03655	7.4
123.04458	2.7
123.08101	5.0
123.11714	8.9
128.06219	2.8
129.07013	6.6
131.04910	5.5
131.08578	5.2
133.02841	1.9
133.06490	3.4
133.10071	3.3
135.04388	2.6
135.08087	3.6
135.11693	4.5
137.05986	100.0
137.13284	3.1
139.03900	7.5
143.04944	2.7
145.10159	2.5
147.04414	7.8
147.08009	3.5
147.11742	8.5
149.06001	4.6
149.09637	3.9
149.13266	7.3
151.07549	45.8
157.06497	4.5
157.12263	2.6
159.11636	2.4
160.05289	1.9
161.05981	33.2
161.09608	5.6
163.03911	1.8
163.07571	12.1
163.11259	1.9
163.14804	2.6
165.06981	4.3
165.09146	3.8
165.12779	5.9
166.07811	2.0
167.07045	4.4
170.12196	1.7
173.13251	2.4
174.06769	2.9
175.07579	31.2
177.09119	9.4
178.07744	3.4
184.32054	1.7
185.06105	3.0
187.07536	3.3
189.07520	2.6
189.09134	18.3
191.10548	2.5
193.06549	2.5
194.07236	5.0
195.08278	3.4
195.10143	20.2
205.06567	3.1
207.08228	3.4
207.10185	5.6
209.09647	2.7
209.15385	2.2
210.06819	3.2
211.07584	5.3
213.09062	2.0
219.08212	3.2
219.10220	6.0
221.06018	4.4
222.06741	5.4
225.09210	3.6
229.14430	3.6
234.06737	2.5
235.07510	4.5
237.09088	8.4
238.06314	2.3
245.09787	2.4
247.07425	2.9
249.09227	6.8
250.06454	2.5
251.06921	2.5
251.10712	2.9
253.08554	4.5
255.06624	3.7
265.08530	18.4
266.09326	2.1
267.06906	2.0
267.10150	6.0
269.11850	1.9
277.08670	8.4
279.10120	4.4
281.08286	3.5
283.09464	3.3
284.10565	2.8
285.11203	9.1
287.12738	2.0
291.10486	2.7
293.08023	3.0
295.09781	3.6
297.11273	24.8
297.16833	3.2
299.12726	5.0
305.11600	3.6
305.24820	7.9
309.11218	8.1
311.12772	20.9
313.10693	2.6
315.12357	9.4
317.14059	4.6
323.12875	6.9
323.25912	4.1
325.16718	12.3
329.13828	2.7
337.14362	22.4
341.26801	3.1
343.17441	2.7
349.14398	4.6
355.15402	32.8
355.19376	2.8
367.15350	15.8
384.76923	2.2
447.17767	2.7
461.19690	4.2
479.20602	9.7
491.20566	4.1
509.21451	7.9
539.27979	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	539.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.5
55.01865	9.4
55.05511	28.6
57.02080	2.5
57.03423	13.5
57.07078	37.8
65.83418	2.7
66.02940	2.9
67.05501	51.6
69.07075	18.6
69.44080	21.1
71.05013	3.0
71.08634	31.2
79.05499	43.1
81.03429	3.8
81.07053	51.6
81.36139	2.9
83.04970	8.2
83.08618	24.5
85.06561	3.1
85.10157	16.8
85.45115	2.7
91.05471	27.0
93.07039	47.9
95.04966	9.1
95.08609	63.6
97.02876	4.2
97.06512	5.8
97.10172	11.0
99.04430	3.6
105.07050	26.8
107.04980	9.6
107.08596	26.8
109.10162	17.3
111.08081	3.6
117.07013	12.3
119.08572	23.0
121.06533	7.8
121.10148	17.0
123.11703	5.1
125.05953	4.5
128.06287	5.3
129.07004	10.7
131.08591	14.8
133.10152	10.2
133.54776	2.8
135.11699	44.4
141.06943	4.3
143.08565	10.6
145.10109	32.3
147.11697	9.1
155.08553	10.5
157.10135	9.8
159.11699	5.8
161.13237	4.5
163.11177	50.1
167.08612	8.1
169.10201	12.0
171.11711	6.4
173.11729	3.0
173.13226	4.0
181.10172	8.7
181.12225	7.5
183.11688	8.3
185.13222	6.7
187.14873	3.7
193.10057	5.3
195.11769	8.1
197.13228	6.0
199.14767	3.1
207.11783	4.0
209.11655	6.4
209.13390	7.1
221.13155	6.1
221.95531	2.9
227.12778	93.0
227.14963	5.8
237.16373	3.4
239.23711	8.6
283.15402	56.2
313.23721	5.3
313.27356	100.0
315.23175	5.9
323.23660	3.6
429.31677	4.9
447.32794	14.4
465.33517	5.8
467.37549	5.1
483.34604	4.5
521.38251	71.4
539.37506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81580	0.4
53.03937	1.3
55.01874	3.9
61.02926	0.5
64.88420	0.4
69.03423	0.6
69.07078	0.6
70.06599	0.5
70.92903	1.1
79.05495	1.6
81.03428	1.1
81.07054	1.8
83.04971	0.5
85.02901	1.2
91.05484	1.5
93.07066	1.6
95.04977	1.9
95.08611	1.3
97.02905	1.6
105.04503	0.8
105.07043	1.6
107.04965	100.0
107.08618	1.2
107.80214	0.4
109.02910	1.0
109.10142	0.8
109.66192	0.4
111.04467	0.5
115.05515	0.5
119.04944	0.9
119.08550	0.6
121.02890	1.9
121.06549	0.7
121.10152	1.2
123.04457	0.8
127.03898	0.5
129.06947	0.7
131.04961	1.1
133.10120	1.0
135.04517	0.5
135.11713	0.5
137.05998	1.1
139.03923	1.5
145.06526	1.2
147.04427	2.0
149.05963	1.1
149.13194	0.5
151.03969	0.9
157.06471	0.6
161.06035	0.9
163.03949	2.0
163.11166	0.8
169.06366	0.6
173.06018	1.5
175.03946	2.0
177.05518	1.5
181.04997	1.3
185.05978	1.0
187.03932	2.7
189.05496	1.3
191.03453	0.8
193.04988	2.5
196.15677	0.5
197.06027	0.8
199.07593	0.4
201.01944	0.6
201.05505	2.1
203.03461	1.0
203.07016	0.9
205.04994	4.8
207.06638	0.6
213.05507	1.8
215.07092	0.7
217.04982	3.8
219.02910	0.7
219.06554	1.9
220.17899	0.5
221.04524	1.2
223.05942	0.8
225.05534	0.5
229.04967	4.4
231.02928	0.7
231.06613	1.6
233.04433	1.2
235.06097	2.5
237.18648	0.7
238.18869	0.9
241.05040	2.0
243.06480	2.3
247.06029	5.3
253.05049	0.7
255.06607	1.2
257.04529	1.3
259.06030	5.7
267.06506	0.8
271.06058	5.2
275.05603	1.5
277.07037	2.4
283.06137	1.6
285.07700	1.4
289.07132	3.8
294.05347	0.5
295.06152	0.6
297.07797	0.6
299.09238	0.8
299.14178	0.5
301.07135	2.4
309.48196	0.5
311.09177	1.2
313.07138	2.7
323.09366	0.5
323.25787	0.8
325.07199	1.5
329.10449	1.0
331.08099	1.6
335.09216	1.4
341.10361	1.2
343.08234	1.8
353.10251	4.9
361.09717	1.1
365.10098	3.3
371.11282	1.9
377.10233	4.1
381.09885	1.7
383.11279	7.8
389.12421	1.3
395.11411	5.3
399.10886	1.7
401.12372	7.7
407.11307	3.4
413.12247	3.6
419.11267	5.3
425.12238	0.5
431.12949	3.0
437.12320	8.0
449.12369	9.7
455.13443	5.5
467.13409	11.3
485.14474	8.9
503.15500	3.4
539.17560	0.9
539.28375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.2
53.45439	2.7
55.01871	4.5
56.67744	2.8
58.47252	3.0
59.38984	3.0
60.25449	2.9
66.27953	2.9
67.05508	4.1
70.06593	6.7
71.04987	12.1
71.53803	3.9
81.07057	3.7
83.29872	2.6
87.04465	3.6
88.04039	3.2
88.84650	3.0
91.05513	3.8
93.07041	4.4
95.04956	4.6
97.57618	3.1
105.07003	3.1
107.04987	4.3
107.08607	3.8
109.06577	3.2
120.04453	7.0
122.06020	3.2
131.08574	2.9
137.05956	5.4
138.05457	3.6
139.03922	4.2
147.04330	4.3
149.09615	3.8
151.04044	3.5
152.07106	6.7
174.05530	4.7
178.05006	12.0
188.03456	9.8
191.03442	3.3
194.09718	3.2
196.05989	3.8
196.07634	4.0
199.08655	3.7
210.09076	4.3
211.08636	10.0
219.10225	6.5
222.09134	4.4
223.08673	5.1
224.07076	5.5
224.10938	3.6
225.10193	5.1
226.08769	4.6
227.08130	8.5
229.09703	7.0
237.10194	5.8
238.08673	10.3
239.08099	6.5
239.11842	4.8
241.06042	5.4
241.09711	17.4
243.11256	6.1
244.09700	4.2
245.09270	6.7
250.08707	12.3
251.08232	11.7
252.06601	7.3
253.09756	7.0
254.08176	10.0
255.07576	12.2
256.06070	7.2
257.09204	5.5
258.03918	5.9
259.07153	5.3
265.09787	19.6
266.08142	27.6
267.07831	3.1
267.11270	11.3
268.09763	31.9
269.09222	32.4
270.07504	5.1
273.08786	7.4
275.05447	3.7
279.07681	27.9
280.08420	3.5
283.10669	8.7
284.09241	24.0
286.10699	12.2
288.08728	8.7
293.09241	31.9
294.07684	8.9
295.10922	22.4
296.09402	6.0
297.08722	76.6
297.11935	6.9
298.09830	4.1
299.10406	3.9
301.08209	7.1
302.10187	6.9
311.10327	10.9
312.08636	14.4
313.11783	13.6
314.10086	7.3
315.09628	14.1
317.11392	3.3
321.08755	33.2
322.07272	4.4
323.10233	3.6
325.11639	4.0
327.13513	8.8
329.11469	6.7
330.09787	4.8
339.09824	44.7
340.08246	6.5
345.14435	6.3
345.78336	3.6
357.10730	8.1
358.09177	4.7
371.12357	22.3
373.14102	15.1
389.13535	19.3
398.12131	3.8
426.11969	4.6
428.13458	4.1
443.14539	15.9
444.13141	14.5
447.14014	17.9
461.15512	9.0
471.13852	11.2
472.12247	14.3
475.17126	4.4
489.15118	82.1
490.13489	36.9
503.16721	39.3
504.14719	17.7
507.15887	8.0
521.17761	100.0
522.16156	33.4
539.18463	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	537.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64736	2.8
53.03940	5.5
55.05515	17.6
57.03439	11.8
57.07082	36.6
60.43833	3.1
67.05505	36.2
69.07069	14.6
70.88055	3.2
71.08644	24.5
71.09489	5.2
74.07092	2.6
77.25921	3.1
79.05498	55.9
81.03429	5.7
81.07058	39.7
81.17185	2.7
83.04976	9.4
83.08627	14.0
85.10192	11.5
90.66183	3.2
91.05472	34.7
93.07050	47.9
95.04963	13.6
95.08615	29.3
97.10150	3.5
105.07036	29.0
107.04915	4.1
107.08589	12.9
109.06492	4.6
109.10126	9.3
117.07041	7.4
119.08573	18.7
129.07001	12.0
131.08444	2.9
133.10161	4.6
143.08591	5.9
145.10139	9.2
147.11684	28.4
150.49516	3.1
161.09648	4.7
161.13235	5.0
171.11700	22.0
189.12848	10.4
191.38939	2.9
207.13806	33.1
239.23654	5.4
258.40143	3.1
281.17487	53.3
281.29517	24.8
282.27930	90.9
282.31052	5.0
299.30627	21.2
313.27374	59.7
491.22122	3.4
519.40442	100.0
537.53625	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	537.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15770	1.7
53.03933	6.0
55.05507	19.6
55.29797	1.9
57.03427	7.7
57.07076	34.0
65.03928	2.9
67.05183	3.2
67.05509	48.9
69.07069	13.7
71.08633	22.0
79.05495	52.4
81.03408	6.3
81.07058	39.5
83.04999	11.0
83.08624	13.1
85.06525	2.3
85.10185	12.1
85.57923	1.9
91.05479	37.3
93.07045	54.3
95.04971	11.8
95.08609	31.3
97.06490	2.6
97.10151	6.5
102.55802	2.1
103.15280	2.1
105.04526	3.7
105.07046	32.5
107.04905	2.3
107.07983	1.9
107.08599	13.5
109.06530	5.2
109.10159	8.0
111.20212	2.3
112.51851	1.7
117.07015	5.8
119.08579	16.1
121.06490	3.3
121.10178	2.7
123.08005	3.3
123.11703	2.2
128.06226	2.3
129.07024	12.1
131.08571	3.0
133.10114	5.3
135.11659	2.4
143.08568	6.3
145.10112	6.3
147.08069	2.2
147.11688	27.3
161.13261	8.3
171.11673	24.1
186.35191	1.9
189.12689	11.0
206.50058	1.8
207.13806	25.7
225.14806	2.8
239.23515	3.0
281.17480	56.4
313.27374	62.0
519.40460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13789	1.0
53.21596	1.2
55.05505	4.3
57.07065	1.3
67.05517	8.6
68.76057	1.1
69.06802	1.2
69.07080	12.0
71.04981	1.2
71.53011	1.6
73.93882	1.0
79.05489	4.3
81.07063	17.5
82.34087	1.1
83.04963	2.2
83.08631	6.5
85.06540	1.9
91.05465	2.9
93.07045	8.9
95.08617	31.3
97.10156	3.9
101.66050	1.1
105.07029	5.1
107.08603	16.3
109.06474	1.8
109.10168	35.8
111.08059	2.1
111.11742	6.5
114.21149	1.2
119.08586	11.0
121.10162	17.2
123.08054	1.5
123.11716	19.6
125.09607	6.1
126.46883	1.3
131.08537	3.0
133.10136	9.1
135.08035	2.9
135.11716	10.5
137.13251	10.5
139.07556	1.4
143.08560	1.6
143.10655	1.6
145.10143	3.2
147.08040	1.7
147.11687	6.6
149.09677	2.4
149.13278	8.7
151.14755	2.1
153.09106	3.5
153.57790	1.3
157.10046	1.6
159.11728	5.5
161.09644	3.9
161.13278	6.4
163.11226	2.0
163.14853	9.6
165.09093	1.8
165.16183	1.1
167.05579	1.5
167.10648	1.6
171.10194	10.9
171.11595	1.5
173.13252	2.9
175.11217	2.3
175.14780	4.5
177.12784	2.0
177.16383	6.0
179.10625	1.4
181.12196	2.3
185.13327	2.0
187.14856	3.0
189.12778	3.0
189.16400	2.6
191.17970	3.2
193.12300	2.6
194.67055	1.3
195.13881	1.6
201.16367	2.5
203.14368	2.4
203.17960	3.3
205.15961	1.7
205.19536	15.7
207.13879	2.2
209.15419	1.9
215.17953	1.3
217.15927	1.9
217.19507	3.4
219.21071	7.3
221.15356	4.7
223.17032	1.5
227.17972	1.9
231.17632	1.1
233.22643	5.1
235.16960	2.8
237.14914	1.4
241.14381	1.3
245.19011	2.5
247.20641	1.4
249.14874	2.8
249.18526	2.8
263.20142	5.4
265.21649	2.0
267.15881	2.1
273.18402	1.9
291.19617	3.2
299.06219	2.7
303.19446	1.4
303.23187	2.3
309.20520	3.2
338.99991	1.1
349.23660	1.4
363.24991	1.3
385.30927	2.3
409.34555	2.3
413.34052	4.8
427.35806	11.1
429.37140	3.4
437.34039	5.3
455.29825	0.8
455.35245	29.7
473.36313	100.0
491.37280	1.6
536.43164	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	537.3275
Annotation	glas#24
Peak:m/z	Relative Intensity
52.62920	3.3
55.05509	35.7
57.03437	6.4
57.07080	6.6
67.05512	22.2
69.03426	9.3
69.07079	22.7
69.33781	18.9
69.34205	12.2
79.05491	13.0
81.07056	54.6
83.04959	4.5
83.08603	6.5
85.02906	11.5
85.06544	10.9
91.05470	13.0
93.07050	19.7
95.04974	22.4
95.08617	52.1
97.06516	7.3
97.10172	100.0
99.08082	6.0
101.80275	4.7
105.07029	20.2
107.08597	24.5
109.06538	7.1
109.10157	26.9
111.08091	4.6
111.11708	4.3
119.04929	4.0
119.08559	19.6
121.10162	20.7
123.08043	5.4
123.11746	24.9
125.09661	19.0
127.11214	4.7
133.10159	10.3
135.11708	15.1
137.05959	6.7
139.03961	4.1
143.10664	33.7
145.10146	8.8
147.04408	10.0
147.11687	18.6
149.13258	10.8
151.07573	4.5
151.14795	6.2
159.11734	6.6
161.13260	8.1
171.10181	4.0
171.11600	5.2
175.14844	6.9
177.12804	6.4
179.14279	6.1
189.11269	14.7
205.15768	4.1
223.16931	4.7
235.17070	6.6
257.22772	4.7
271.22543	4.3
275.23721	5.6
285.22131	5.8
303.23236	36.1
309.24255	15.1
321.24228	79.8
329.10983	4.2
339.25281	36.6
357.26212	6.7
407.16132	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	536.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73338	0.2
56.05021	0.6
58.06609	0.6
60.07891	0.4
60.08173	6.0
60.08473	0.4
67.05495	0.8
71.07374	2.5
81.07043	0.6
82.59792	0.3
86.09714	27.9
86.98018	0.3
91.05644	0.2
93.07056	0.3
95.08608	0.3
98.98466	2.8
104.10760	2.7
118.96349	0.2
125.00013	18.9
144.88657	0.3
167.05582	0.6
184.07356	100.0
185.07750	0.4
242.70934	0.3
261.81564	0.2
267.36227	0.3
299.06219	0.7
342.14209	0.3
379.10635	0.3
500.31082	0.9
518.32483	6.2
553.02985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.0
55.05515	19.1
57.03443	3.0
57.07072	2.8
58.75080	1.5
59.94916	1.7
67.05511	13.2
69.03407	4.4
69.07079	17.3
71.01368	2.3
71.04983	8.1
71.14046	3.8
73.04763	2.0
79.05489	10.4
81.03439	3.0
81.07064	41.4
83.04998	2.5
83.08601	7.1
85.02905	5.7
85.06550	3.1
85.41962	1.8
91.05484	5.2
93.07047	28.4
95.04977	4.4
95.08615	23.6
97.02893	2.9
97.06529	7.2
97.10181	25.1
102.24159	1.9
105.07048	12.3
107.08610	21.6
107.68658	2.1
109.06531	4.0
109.10166	25.8
111.08117	2.4
111.11710	3.4
117.07021	2.0
119.08581	15.3
121.06551	4.0
121.10160	29.6
123.08092	1.6
123.11714	26.3
125.09624	4.9
125.13284	3.0
127.03937	2.5
131.08548	2.8
133.10133	8.2
135.11699	21.0
137.09615	1.9
137.13202	4.7
139.11159	2.1
140.60173	1.6
143.10704	4.9
145.10101	5.5
147.11650	10.1
149.13243	12.2
151.11201	2.8
153.12781	2.9
159.11687	8.2
161.13319	7.2
163.11185	4.2
163.14821	3.5
165.12709	4.5
165.16370	2.4
173.13194	2.7
175.14827	3.2
177.12770	2.5
181.12218	2.5
183.03041	2.3
187.14905	2.9
195.13811	10.1
201.16277	1.9
215.17981	2.1
257.22696	5.4
275.23743	21.8
285.22076	2.9
291.23257	2.7
292.98373	1.9
293.24731	6.9
299.06223	4.5
303.23206	100.0
309.24182	15.5
321.24252	53.3
322.20746	2.2
339.25284	10.2
406.45715	1.9
536.32556	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	536.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19888	3.1
55.05497	3.9
67.05508	5.4
69.07069	11.1
69.39449	21.2
81.07057	16.8
93.07039	7.6
94.31759	3.3
95.08618	35.9
105.07031	5.0
107.08610	10.9
109.10155	32.5
111.11729	4.7
113.09655	23.0
121.10165	8.9
123.11711	14.2
135.11713	10.5
137.13237	5.6
141.09129	34.5
141.22972	3.2
147.11725	4.4
149.13281	9.8
163.14810	15.9
165.16443	3.8
177.16475	4.6
189.78995	3.6
205.19499	9.1
220.73497	3.1
223.16957	4.7
273.25958	4.9
287.54758	3.1
299.06171	13.0
299.45554	3.2
333.27939	11.8
445.36752	4.7
455.35156	37.3
473.36307	80.9
491.37082	4.2
536.34875	5.7
536.43201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2885
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
55.05512	0.7
57.03436	0.8
67.05507	1.9
69.03445	0.4
71.04985	0.5
71.53368	0.6
73.27223	0.4
79.05499	1.4
81.03436	2.0
81.07067	2.3
83.04968	0.6
83.08625	0.6
85.02911	2.2
86.09691	1.1
91.04965	0.4
91.05492	2.1
93.07034	1.4
95.04987	1.2
95.08646	0.9
105.07035	1.2
107.08620	0.8
109.10155	0.9
111.08083	0.6
119.08570	0.9
121.10159	0.8
125.00051	1.0
131.08583	0.8
133.10126	0.9
142.48782	0.4
147.11697	0.8
149.13303	0.8
157.10101	0.7
175.11307	0.6
184.07352	4.4
185.07640	0.6
193.12257	0.9
251.12564	7.0
274.32056	0.4
278.00757	0.4
285.17035	0.6
307.15167	6.1
346.87643	0.4
517.30969	0.8
535.28815	100.0
536.29156	0.9
545.28052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2028
Annotation	Syringin-4-O-beta-glucoside
Peak:m/z	Relative Intensity
52.03616	3.2
53.03942	4.6
55.01873	9.5
57.03435	8.5
57.07077	11.0
61.02919	7.4
66.27808	3.1
67.05497	21.2
68.99809	4.3
69.03445	16.6
71.04993	3.8
71.54006	4.7
73.02908	4.2
76.76589	3.5
79.05511	6.3
81.03421	13.6
81.07063	10.9
83.05009	5.9
85.02921	61.4
85.06554	37.5
91.03986	4.5
91.05492	5.0
93.07042	9.7
95.04979	5.2
95.08598	9.6
97.02921	25.3
99.04494	6.1
100.43122	4.0
102.40406	3.1
103.03963	5.4
103.38123	3.4
105.07042	7.0
107.08610	8.5
109.02876	12.2
109.06532	9.4
109.10191	5.2
117.07068	3.9
119.08583	12.3
120.08960	7.2
121.10148	4.4
123.04415	10.6
127.03918	14.5
127.07526	10.9
128.06326	3.6
129.07060	5.2
133.10088	3.6
135.04442	3.5
136.62935	3.5
139.03923	10.9
143.08580	3.9
145.04985	12.3
145.06546	2.9
147.04430	19.0
147.08061	5.2
147.11774	3.5
149.09593	5.0
151.03931	10.8
153.63333	3.4
161.09761	4.9
163.06229	4.1
163.07570	5.3
165.05521	4.8
175.03885	5.5
175.07578	7.8
177.05527	5.9
187.07437	4.7
189.05562	4.0
189.09167	23.3
191.07013	5.1
193.08650	26.4
199.07654	4.8
201.05539	3.5
205.08615	22.0
207.10219	5.0
211.09673	100.0
211.16907	4.0
217.08640	34.1
223.09689	25.1
229.08563	7.1
231.10162	6.8
235.09668	70.0
235.11861	6.8
247.09654	4.9
253.10771	60.5
259.09698	13.8
271.09857	17.2
273.11276	4.2
277.10736	62.5
283.09775	9.9
287.05530	12.7
289.10709	33.6
301.10727	18.0
307.11841	9.7
319.11801	29.8
319.22684	5.2
337.12875	31.3
337.23871	3.9
355.13989	37.2
373.15182	7.1
533.71808	3.8
535.25470	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	535.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66644	3.8
52.48823	3.4
55.01871	9.6
56.50114	4.0
57.03430	14.2
57.07082	37.4
67.14853	4.0
69.03429	8.9
70.44027	7.6
81.03427	18.5
81.07050	4.4
83.04970	5.7
85.02910	31.8
85.06542	14.2
97.02881	11.4
109.02903	5.8
121.02882	9.5
127.03868	4.6
128.06279	4.7
133.06531	6.3
135.08051	5.4
145.06476	4.5
147.04391	6.4
151.03943	5.9
159.04379	4.0
159.08038	4.9
161.05952	5.1
163.03929	7.9
171.04385	5.7
171.08067	5.9
173.05957	6.5
173.09627	4.7
175.03908	7.4
175.07631	5.9
177.05614	4.1
183.08163	9.1
185.05934	10.8
187.03885	8.8
187.07494	13.0
187.11165	5.1
189.09152	6.9
197.09688	6.3
199.07623	8.4
201.05467	11.1
201.09163	11.5
203.03540	5.5
203.07007	6.1
205.08543	5.6
211.07523	9.7
212.08064	4.3
213.05455	10.6
213.09137	14.0
215.07025	14.1
215.10640	6.4
216.07852	5.5
217.05154	5.8
217.08640	34.3
219.37018	4.2
223.07603	5.6
223.09589	11.2
225.09142	5.5
227.07089	11.0
227.10681	11.1
228.07753	4.6
229.04967	9.3
229.08617	32.7
231.10115	6.5
235.09688	17.3
240.07616	5.1
241.04922	8.9
241.08652	20.3
243.06563	19.6
243.10193	16.6
245.08133	13.2
247.09775	31.6
251.10843	4.0
253.08490	8.5
253.10844	5.5
255.10181	14.9
257.08035	8.6
259.06091	8.4
259.09686	28.8
261.07507	7.5
263.09219	20.2
265.08298	5.7
265.10782	20.0
267.06729	4.7
267.09995	8.3
269.11761	8.1
271.09695	34.0
273.11163	5.4
276.72430	3.6
277.10818	32.7
279.10141	8.6
283.06702	4.7
283.09576	28.9
285.11160	5.0
287.05521	100.0
289.10727	50.1
295.09439	20.4
297.07806	4.6
297.11230	10.4
301.10690	56.2
307.09460	8.0
309.11166	4.8
313.10770	50.2
317.10400	5.3
319.11786	57.1
321.11130	11.9
323.12723	5.0
325.10687	30.3
329.10229	10.0
331.11813	77.0
337.10483	19.8
343.07959	8.1
343.11789	67.1
349.12753	29.2
355.11557	41.8
361.12872	34.5
365.12326	12.7
367.14270	97.9
373.12927	5.8
379.14294	27.0
385.12802	47.4
397.14423	26.2
403.13937	49.8
409.12650	11.5
415.13821	28.3
421.14978	40.6
427.13950	27.2
433.14999	53.0
445.14963	30.5
451.15952	8.7
463.16086	33.5
481.17093	34.8
499.17990	9.1
535.21851	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	535.1448
Annotation	LLP3
Peak:m/z	Relative Intensity
55.01872	7.3
61.02911	3.0
67.19038	1.3
71.38454	2.6
71.65083	1.4
78.98489	1.3
83.12607	1.4
97.02892	1.9
104.43755	1.1
107.04948	2.1
109.02869	1.1
119.04976	6.9
121.02871	33.3
126.42465	1.1
145.02811	4.4
147.04434	1.3
151.03917	1.5
159.04443	2.6
161.02354	2.1
163.03864	1.5
171.14352	1.2
175.03964	1.6
177.01816	5.2
179.03372	2.2
187.03931	2.6
189.01826	9.0
189.05394	1.4
191.03427	3.9
195.02882	5.2
199.03812	1.7
201.01767	2.6
201.05418	1.6
203.03426	12.1
205.04994	3.2
207.02893	4.6
213.05408	2.3
215.03465	7.5
217.04935	4.6
219.02834	3.6
221.04456	2.4
227.03465	2.7
231.02805	1.5
233.04486	2.5
241.05028	1.5
243.02852	2.7
245.04425	2.7
253.04662	1.3
255.02797	1.4
256.34561	1.3
257.04395	1.3
261.54907	1.5
267.06476	2.9
268.07376	2.4
277.08801	1.5
279.06516	4.9
280.07239	1.3
281.08145	3.6
282.05231	1.7
283.05981	4.6
284.06882	1.4
292.07480	1.3
293.08026	2.9
294.05273	16.1
295.06009	57.2
295.09387	2.9
296.06815	5.6
297.07562	4.9
305.08148	3.6
306.08847	2.3
307.06015	48.2
307.09555	3.1
308.06775	10.2
309.07596	16.3
313.07089	3.9
317.08005	5.4
319.06091	5.7
320.06714	11.4
321.07587	41.6
322.08347	4.7
323.05594	3.1
323.09109	5.5
325.07077	50.0
329.08130	5.8
331.05972	2.8
333.07581	25.5
334.08359	3.8
335.05246	2.2
335.09015	18.5
336.06030	2.6
337.07059	48.0
339.08560	5.9
345.07590	17.4
347.09094	7.8
348.05920	1.9
349.07080	39.3
351.08652	20.0
355.08105	4.3
359.09134	4.6
361.07028	30.5
361.11246	2.4
363.08624	24.6
367.08307	11.1
371.09030	2.2
373.07092	16.9
375.08630	9.4
379.08151	65.0
385.09311	2.1
387.08640	6.7
389.10223	3.4
391.08145	50.6
393.09683	3.6
397.09210	45.5
399.08597	5.7
403.07935	9.8
405.09787	6.5
409.09210	59.3
415.08582	8.1
417.09790	6.6
421.09210	5.7
427.10278	53.6
433.09174	19.8
445.09863	20.4
451.10306	24.7
463.04239	2.2
463.10214	20.9
469.11340	37.6
481.11334	100.0
499.12360	85.6
517.06061	2.3
517.13434	25.3
535.14288	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	535.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.6
57.03440	3.3
57.07076	2.0
61.02922	5.5
61.78839	1.8
65.03946	3.7
67.05498	8.3
69.03426	2.8
70.69128	4.3
74.20592	1.9
81.07058	3.9
85.02917	13.2
85.06561	20.5
91.05490	3.8
94.17634	2.0
97.02876	5.3
109.02899	3.4
109.06506	7.9
119.04949	4.9
121.02876	32.6
123.04438	7.9
123.08057	6.6
127.03927	3.3
127.07549	7.7
135.04434	2.1
137.05930	2.2
139.03850	3.1
145.02850	4.5
147.04449	3.1
151.07555	2.9
165.05382	2.1
165.09137	8.2
165.75897	2.4
175.04047	2.9
175.07465	2.8
177.01912	3.3
183.11989	2.2
187.04008	3.4
189.01773	7.8
189.05470	3.8
191.03412	5.7
193.08633	37.2
195.02867	6.4
203.03409	15.6
205.70967	2.5
207.02925	5.4
211.09686	100.0
215.03392	7.6
217.04886	3.7
217.08601	3.7
219.02910	3.6
227.03419	2.6
231.02895	2.2
233.04459	4.7
235.09694	4.3
243.02844	3.3
253.10710	3.5
268.07355	4.1
269.04529	2.6
273.03699	4.2
277.10721	3.7
279.06625	2.5
280.07367	2.8
281.08002	4.2
287.05457	7.6
293.08112	5.4
294.05356	12.1
295.06067	48.0
296.06705	4.5
297.07562	5.5
305.08038	2.8
307.06042	41.2
307.09277	2.4
308.06870	12.7
309.07574	14.0
313.07266	3.2
317.08047	3.0
319.05887	6.3
319.11853	2.9
320.06732	7.6
321.07608	40.2
322.08307	5.1
323.09271	6.3
325.07111	41.1
329.08047	5.7
333.07587	26.0
334.08344	6.2
335.09189	18.1
336.06250	3.6
337.07074	33.7
339.08771	3.6
345.07663	12.4
347.09079	5.3
349.07101	34.8
351.08582	18.4
355.08124	7.1
355.13672	3.4
359.09052	4.0
361.07037	23.8
363.08606	23.5
367.08289	7.6
373.07236	15.0
373.14603	4.0
375.08563	9.2
377.10248	2.9
379.08185	54.1
387.08710	7.5
391.08197	43.3
393.09750	2.7
397.09232	31.6
399.08417	3.0
403.07895	13.2
405.09750	7.7
409.09238	51.2
415.07913	10.4
417.09634	4.8
421.09021	4.3
427.10342	38.1
433.09244	20.7
439.10599	2.3
445.10544	17.5
451.10345	20.6
463.10205	16.8
469.11343	49.4
481.11337	75.8
499.05029	3.7
499.12354	69.5
517.07227	2.6
517.13617	29.0
535.14478	10.3
553.38556	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	535.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33117	1.9
55.01879	10.0
61.02922	6.2
61.15172	2.1
65.03949	3.3
69.03456	1.8
71.04762	4.3
71.09402	2.3
87.75591	2.0
91.05501	2.8
97.02888	4.7
98.20894	2.6
107.04964	5.4
109.02921	4.3
111.04468	2.1
119.04981	10.9
121.02873	73.0
123.04421	3.6
139.03938	2.8
145.02892	7.0
145.06560	2.0
161.05884	2.1
163.03909	8.7
165.01872	3.9
171.04366	2.6
175.03943	3.1
177.01836	4.8
179.03441	3.3
187.03932	7.3
189.01825	11.9
189.05481	3.0
191.03419	6.4
195.02866	6.5
199.03876	4.0
203.03372	19.1
205.04942	2.5
207.02942	6.2
213.05414	2.3
215.03456	8.5
217.04999	7.3
219.02921	5.6
221.04497	2.7
227.03439	4.6
229.04961	4.4
231.02887	5.3
233.04449	4.5
241.04892	3.3
243.02966	8.6
255.02910	2.9
261.03979	6.2
268.07297	3.6
269.04669	3.4
271.05988	3.7
273.03998	4.4
279.06528	5.0
281.08066	4.8
283.06070	6.6
284.06921	3.4
291.06528	2.6
292.07178	3.2
293.08026	4.6
294.05225	20.9
295.06042	70.5
296.06851	3.6
297.04129	2.4
297.07498	8.8
305.08203	3.9
307.06006	55.0
307.09540	3.4
308.06873	15.2
309.07642	16.7
313.06943	4.2
313.11868	2.8
317.08029	5.5
319.06070	7.0
320.06586	10.3
321.07587	48.1
322.08539	4.0
323.05499	3.9
323.09085	5.2
325.07083	52.1
329.08182	5.0
333.07635	25.1
334.08313	3.8
335.09128	18.8
336.06290	4.7
337.07077	55.6
337.11160	3.1
339.08594	5.5
345.07608	17.7
347.09225	7.1
348.06314	3.0
349.07089	45.4
350.08041	3.0
351.08655	19.9
355.08209	6.0
359.09042	5.5
361.07028	27.5
361.11105	2.3
362.07736	3.6
363.08643	29.3
367.08090	13.5
371.09256	4.2
373.07117	19.4
373.14090	11.9
375.08801	11.6
377.10403	3.3
379.08163	74.4
381.08273	2.0
385.09433	3.5
387.08585	8.3
389.10358	4.5
391.08176	58.8
393.09680	6.2
397.09219	46.6
399.08597	5.5
403.08249	8.3
405.09607	7.9
409.09207	71.1
410.09488	2.3
415.08981	8.0
417.09668	6.5
421.09366	7.0
427.10361	42.3
433.09235	22.4
445.09976	19.9
451.10211	26.1
463.10242	23.0
469.11371	39.1
481.11310	100.0
499.12421	90.8
517.13385	29.9
535.14600	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	535.1089
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.77634	0.2
52.81847	0.2
53.03955	0.5
55.01862	0.3
57.03434	0.6
57.07065	0.3
59.94523	0.2
61.02919	0.6
68.99792	0.7
69.03433	5.2
69.85247	0.7
69.85648	0.5
71.04993	0.5
73.02908	0.8
75.48431	0.2
81.03421	3.5
81.07056	0.3
83.01310	0.2
85.02912	3.1
87.00835	3.7
91.03956	0.6
97.02892	2.6
98.20782	0.2
99.04457	1.2
105.01870	1.8
105.03376	0.3
107.04947	0.5
109.02892	2.2
111.00819	0.6
117.01878	1.2
121.02882	2.0
127.03925	3.4
129.01860	0.2
133.02856	0.4
137.02321	0.8
139.03960	0.3
145.04951	1.1
147.04413	0.3
149.19920	0.2
153.00594	0.2
153.01840	3.5
157.06512	0.4
159.02898	3.5
163.03929	0.2
165.01834	1.5
183.02904	0.9
185.06007	0.5
213.05545	1.3
217.08635	0.3
231.04866	1.9
231.06902	0.2
235.09668	0.3
241.04985	0.6
243.06610	0.3
258.05280	0.6
259.06140	0.5
265.10681	0.3
272.03061	0.3
272.06238	0.2
283.09857	0.3
287.05511	100.0
288.05899	0.5
301.10736	0.6
319.11819	0.3
325.10831	0.4
331.11752	0.4
343.11740	0.5
353.06345	0.4
355.11783	0.4
361.12677	0.3
367.13779	0.8
379.13306	0.3
385.12979	0.4
397.13196	0.3
403.13568	0.4
421.14670	0.3
433.15149	0.3
445.15100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01868	0.4
57.03436	0.4
59.04992	0.2
61.02918	0.9
61.50845	0.2
62.50790	0.2
68.99799	0.9
69.03091	0.4
69.03437	6.2
69.77262	0.4
69.77681	1.1
71.01363	0.2
71.04972	0.3
73.02916	0.8
75.35197	0.2
79.05508	0.2
81.03428	3.9
81.07059	0.3
85.02911	4.8
87.00842	4.5
87.04448	0.2
91.03967	0.5
91.05479	0.3
93.07031	0.5
95.04961	0.4
97.02910	2.4
98.21462	0.2
99.04453	1.0
102.11774	0.2
103.03998	0.2
105.01876	1.7
105.03391	0.4
105.07054	0.4
107.04970	0.6
107.08619	0.4
109.02897	2.3
111.00787	1.0
111.08102	0.4
117.01872	1.1
119.04969	0.2
119.08575	0.3
121.02879	3.0
123.11721	0.2
127.03931	3.8
129.05464	0.2
133.02914	0.3
135.04442	0.4
137.02357	0.7
145.04939	0.7
147.04402	0.5
147.11752	0.3
153.01851	3.7
157.04950	0.6
157.06465	0.3
159.02919	3.7
165.01863	1.8
169.12236	0.3
175.06038	0.7
175.11263	0.2
183.02905	0.8
185.05991	0.6
193.12270	0.3
195.02962	0.2
203.03525	0.2
203.07158	0.2
213.05519	0.9
214.20010	0.2
215.03368	0.4
217.05048	0.3
231.04840	2.3
241.04996	1.0
258.05283	1.2
259.05997	0.4
269.04535	0.3
277.47049	0.2
287.05524	100.0
288.05750	0.7
295.05963	1.2
303.05054	0.3
307.05960	0.7
308.06927	0.4
309.07611	0.4
321.07562	0.5
325.07013	0.8
335.09082	0.3
337.07022	0.6
349.07217	0.4
351.08746	0.5
363.08606	0.5
379.08170	0.8
391.08109	0.7
397.09155	0.6
409.09103	0.9
427.10184	0.8
433.09073	0.4
445.09198	0.4
451.10092	0.3
469.11261	0.6
481.11499	1.2
499.12619	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.05516	23.0
57.03434	5.6
57.07085	13.6
61.02913	5.0
67.05507	88.7
69.06738	2.1
69.07072	28.8
71.04979	2.7
71.08618	7.5
73.02901	2.7
79.05130	1.9
79.05503	19.1
81.07060	100.0
83.04961	2.2
83.08618	26.0
85.02891	5.8
85.06544	4.4
85.10181	3.3
91.03940	2.7
91.05489	15.1
93.07053	28.9
95.08613	91.5
97.02859	4.3
97.06515	6.5
97.10170	18.3
99.08103	5.2
100.06679	1.9
104.10754	3.7
105.07036	15.3
107.08588	19.8
109.10162	43.5
110.16383	1.6
111.08059	7.1
111.11743	3.1
113.09657	2.1
117.47720	1.9
119.08576	14.3
121.10157	30.2
123.08096	2.1
123.11723	21.9
125.13266	2.5
127.11112	3.4
133.10149	16.9
135.11722	10.5
137.13255	9.3
141.12715	5.0
147.11671	12.8
149.13239	10.4
151.14815	8.2
155.14259	3.3
161.13264	16.8
163.14806	12.0
165.16423	12.3
175.14882	10.6
179.17950	10.2
180.81267	1.9
184.07388	1.9
189.16339	4.4
203.17996	2.2
212.81616	1.7
245.22662	64.7
263.23709	90.4
265.25272	2.7
279.21689	1.8
286.63568	1.9
289.70309	1.7
328.17975	1.9
337.27386	73.4
355.28534	10.3
452.27975	2.0
499.32492	2.7
528.58521	2.2
534.36310	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.8
57.03430	2.7
65.96437	1.3
67.05518	11.2
69.03430	13.2
69.07069	7.4
71.05379	3.0
79.05492	6.5
81.03415	2.0
81.07059	28.4
83.08608	4.0
85.02902	9.7
86.09693	3.2
87.04480	10.7
91.05460	4.1
93.06482	2.3
93.07043	32.1
95.07993	1.8
95.08607	33.9
97.02896	10.7
97.10171	3.5
104.10734	4.2
105.07029	3.5
107.08597	22.1
108.36337	1.3
109.10159	31.0
115.03932	19.0
119.08579	1.8
121.10155	16.3
123.11715	7.5
125.00048	1.6
127.03911	1.8
133.04974	24.1
135.11681	18.1
145.04974	3.8
149.13263	100.0
150.07593	2.3
163.05952	1.7
184.07359	6.2
205.19525	83.5
259.08112	4.8
290.17468	4.0
295.10205	6.9
447.93936	1.5
516.30182	4.9
534.29883	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65495	0.2
55.05501	0.8
56.05034	0.4
57.03423	0.7
57.07069	0.3
58.06592	0.5
60.08163	5.7
67.05515	1.6
69.03429	3.3
69.07068	1.3
71.07372	2.7
71.53546	0.4
79.05490	1.1
81.07058	3.8
83.08652	0.3
85.02913	2.8
86.09708	27.8
87.04099	0.2
87.04478	2.7
91.05447	0.8
93.07048	3.7
95.04941	0.3
95.08607	4.8
97.02895	3.0
98.98461	2.3
99.04471	0.3
104.10748	2.5
105.07022	0.6
107.08607	3.1
109.09462	0.5
109.10153	4.4
115.03175	0.4
115.03934	6.1
119.08586	0.3
121.10146	3.1
123.11713	1.2
125.00005	20.5
127.03875	0.6
133.04977	7.7
133.10117	0.2
135.11703	1.8
144.73994	0.3
145.04944	0.8
147.11760	0.3
149.13264	9.4
149.17149	0.2
150.07646	0.5
163.14835	0.5
165.80838	0.3
184.07344	100.0
199.12059	0.3
205.19519	8.5
241.07111	0.4
251.64146	0.3
258.11172	0.4
259.08124	1.0
277.09271	0.3
295.10275	2.5
386.91257	0.3
469.24506	0.3
498.29810	1.0
516.23871	0.4
516.30975	5.8
549.62305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65495	0.2
55.05501	0.8
56.05034	0.4
57.03423	0.7
57.07069	0.3
58.06592	0.5
60.08163	5.7
67.05515	1.6
69.03429	3.3
69.07068	1.3
71.07372	2.7
71.53546	0.4
79.05490	1.1
81.07058	3.8
83.08652	0.3
85.02913	2.8
86.09708	27.8
87.04099	0.2
87.04478	2.7
91.05447	0.8
93.07048	3.7
95.04941	0.3
95.08607	4.8
97.02895	3.0
98.98461	2.3
99.04471	0.3
104.10748	2.5
105.07022	0.6
107.08607	3.1
109.09462	0.5
109.10153	4.4
115.03175	0.4
115.03934	6.1
119.08586	0.3
121.10146	3.1
123.11713	1.2
125.00005	20.5
127.03875	0.6
133.04977	7.7
133.10117	0.2
135.11703	1.8
144.73994	0.3
145.04944	0.8
147.11760	0.3
149.13264	9.4
149.17149	0.2
150.07646	0.5
163.14835	0.5
165.80838	0.3
184.07344	100.0
199.12059	0.3
205.19519	8.5
241.07111	0.4
251.64146	0.3
258.11172	0.4
259.08124	1.0
277.09271	0.3
295.10275	2.5
386.91257	0.3
469.24506	0.3
498.29810	1.0
516.23871	0.4
516.30975	5.8
549.62305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
56.41967	0.4
57.07064	0.4
60.15269	0.4
61.01153	2.1
67.05502	1.1
68.99795	2.2
69.94920	0.8
69.95332	1.3
70.59729	0.4
72.04521	3.6
78.03785	2.4
79.05500	0.6
81.03426	0.5
81.07045	1.7
85.06538	0.8
86.06068	0.8
88.02242	3.1
90.96248	0.4
91.05482	0.4
92.26266	0.4
93.07031	0.9
95.04944	0.5
95.08598	1.4
95.38715	0.3
97.02894	0.5
97.06529	0.7
98.06042	0.8
99.05588	1.3
102.03773	4.9
102.23940	0.4
105.07050	1.0
107.04948	1.0
107.08582	0.7
109.10144	1.1
113.06024	0.4
114.03740	0.8
115.08691	1.6
119.08580	0.9
120.04786	0.6
121.10181	0.4
121.54274	0.5
124.07620	0.8
127.03951	0.5
128.06180	1.0
129.07013	1.7
130.08643	0.8
131.06354	2.8
131.08559	1.0
132.04803	4.4
133.02852	1.2
141.06720	0.4
142.07663	0.5
142.08652	1.8
143.04904	0.4
143.08614	0.7
147.11665	0.6
149.07451	23.4
152.06210	1.3
153.06998	4.4
155.08492	0.5
157.06517	5.9
159.05885	1.4
165.07045	0.7
171.04355	0.5
171.08046	2.6
175.05435	0.7
178.05006	3.3
181.06496	11.4
184.05203	0.6
184.09715	1.3
185.05988	3.3
187.07587	1.6
190.87363	0.4
199.07538	7.8
203.18010	1.3
209.05997	3.4
210.06805	0.5
213.05504	7.1
226.06261	0.5
227.07028	14.8
227.13794	0.4
230.88045	0.4
237.05434	2.1
243.11613	0.6
249.18605	0.9
255.06537	100.0
261.12692	28.6
261.15607	0.5
284.09195	3.2
326.10248	9.9
403.13290	4.7
515.18530	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	531.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.7
55.01854	4.8
55.05513	15.5
57.03431	4.0
57.07061	5.7
65.03921	4.3
67.05508	71.9
69.03414	4.2
69.07070	16.8
69.83045	7.3
71.04977	6.3
71.08605	1.7
73.40213	1.4
79.05496	44.9
80.05798	1.8
81.03397	4.8
81.07060	71.4
83.04958	6.8
83.08627	8.4
85.06542	6.1
87.04453	15.7
89.52752	1.9
91.05482	54.9
93.07043	51.5
95.04979	7.9
95.08608	29.1
97.06522	4.8
99.04421	2.5
99.08092	2.0
105.00031	2.2
105.04483	1.7
105.07037	47.3
107.08601	48.5
109.06504	7.1
109.10157	68.5
113.06001	3.7
117.07018	9.1
119.08584	17.5
121.06514	1.6
121.10142	17.9
123.08080	2.2
123.11726	10.0
127.07529	3.9
131.08578	11.3
133.10135	75.8
135.11699	12.6
143.08568	2.1
145.10092	7.0
147.11684	4.6
149.13232	6.2
151.11186	41.4
159.11656	6.3
161.09572	2.3
161.13202	4.9
163.14833	1.9
169.12238	10.9
173.13243	6.5
179.10629	2.5
182.85330	1.4
187.14850	2.0
190.52692	1.9
215.12680	5.1
243.20987	4.6
253.14354	86.7
259.20508	2.1
261.22159	21.1
271.15414	4.0
317.24719	6.7
439.31915	2.1
457.33096	3.2
513.35785	13.3
531.36816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47969	0.5
52.58344	0.6
53.03947	0.7
55.01869	0.6
55.05515	3.3
57.03439	5.3
57.07072	0.7
59.05005	1.1
61.02925	1.1
63.79424	0.5
65.01784	0.5
67.05510	4.6
67.23241	0.6
69.03435	18.3
69.06786	0.5
69.07073	5.6
69.65884	3.1
70.06563	0.5
71.04979	0.9
73.02927	1.1
79.05491	3.2
81.03413	1.7
81.07062	39.3
83.04992	0.6
83.08612	2.0
85.02911	15.3
87.04468	11.9
91.05470	2.5
93.07064	5.5
95.04975	1.0
95.08614	11.7
97.02901	13.9
97.10160	0.5
99.04459	0.9
103.03986	0.5
105.07035	23.9
107.08597	5.3
109.02890	1.3
109.10160	8.3
115.03943	17.8
116.17331	0.5
117.05443	0.6
117.07058	0.6
119.08590	17.2
121.10165	7.2
123.11707	3.6
127.03928	2.3
131.08580	3.2
133.04968	17.5
133.10136	10.4
135.11702	3.4
144.09293	0.6
145.04945	3.1
145.10132	6.4
147.11694	53.8
149.13289	1.6
150.07637	3.4
155.08444	0.6
157.10138	1.7
159.11681	5.3
160.12494	1.8
161.13254	8.3
163.06046	1.5
169.10097	0.6
173.13327	2.0
175.14784	1.5
187.14859	1.0
197.13309	0.7
201.16368	5.1
203.17967	100.0
205.19551	3.9
209.13345	0.6
215.17967	2.5
221.19031	2.5
225.16318	0.7
227.18054	0.7
233.19043	3.9
245.18933	0.8
251.17880	0.6
259.08151	1.1
269.18970	2.0
287.20041	1.2
295.10239	0.7
311.19946	1.0
329.21045	1.9
335.22147	1.9
347.22189	3.0
365.23245	3.5
383.24304	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	531.2951
Annotation	Kadcoccilactone G
Peak:m/z	Relative Intensity
53.03952	2.6
55.01878	13.0
55.05518	24.6
65.03924	1.7
67.05511	20.4
68.95194	1.2
69.03428	2.9
69.07054	6.2
70.06584	1.4
70.68207	3.9
71.04980	4.1
77.19952	1.4
79.05499	24.2
81.03425	13.4
81.07063	20.5
83.04979	4.3
83.08630	12.8
85.06511	2.8
91.05482	23.0
93.07056	18.3
93.49464	1.4
95.01307	2.0
95.04972	12.1
95.08620	14.5
97.06525	2.7
97.10174	20.2
103.05469	2.2
105.06496	1.6
105.07043	17.4
107.04952	7.5
107.08599	15.7
109.02891	48.9
109.06544	3.3
109.10172	6.5
111.04451	1.7
111.08064	2.6
115.05485	3.5
116.06418	1.5
117.07039	10.8
119.04944	17.5
119.08596	6.6
121.06502	9.8
121.10149	5.3
123.04419	2.1
123.08060	4.5
125.02341	1.6
125.05976	1.6
125.09651	17.3
125.95164	1.5
128.06221	2.3
129.06990	12.1
131.04948	11.7
131.08578	10.6
133.06505	13.7
133.10136	4.0
135.04413	4.4
135.08055	5.2
135.11671	3.1
137.05968	2.3
137.51357	1.2
141.07004	6.6
143.08563	6.4
145.02853	1.5
145.06490	8.8
145.10147	3.8
147.04422	21.1
147.08058	8.3
149.06023	2.5
149.09605	7.1
151.03902	7.2
153.09081	3.0
155.08539	6.9
157.06549	7.5
157.10123	3.0
159.04379	2.7
159.08067	5.8
160.05202	5.3
161.05997	85.9
161.09648	4.5
163.11145	2.9
165.06912	1.6
166.07826	1.9
167.08569	3.1
169.06499	4.2
169.10124	5.5
171.04417	3.3
171.08047	5.8
173.05994	5.8
173.09595	2.6
175.07555	5.5
175.11118	1.8
181.06535	2.0
181.10107	2.5
183.08063	4.8
183.11682	2.9
185.05988	3.0
185.09615	2.5
187.07600	7.3
187.11189	2.6
189.09300	2.8
189.11189	19.4
193.10138	2.0
195.08115	2.3
197.09659	4.5
197.13321	3.2
199.11160	2.2
201.09102	2.1
201.12694	2.9
207.11632	3.1
209.09686	1.6
211.07513	2.0
213.12601	1.6
215.14308	2.2
225.12695	7.0
227.12654	2.8
229.12265	2.9
241.12366	2.3
243.13837	16.9
245.15327	2.0
253.12271	7.0
259.13303	6.1
269.15359	7.4
271.13351	13.0
273.14890	24.1
285.14822	2.0
287.12646	2.4
287.16284	3.0
289.14352	100.0
299.16400	2.5
303.16000	3.6
307.17093	1.8
309.14661	2.2
313.14377	5.7
315.15912	2.2
325.18011	6.5
327.15945	21.8
343.19174	1.6
345.16959	23.2
365.25287	1.8
403.22644	5.2
411.25391	3.0
421.23770	23.3
429.94464	1.6
439.24832	74.8
457.25867	20.2
459.25296	1.8
477.26355	3.9
495.27573	7.0
513.28528	87.3
531.29413	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93621	0.6
58.78959	0.6
63.87476	0.7
71.18248	1.3
91.05524	1.4
91.88010	0.7
98.97579	0.8
102.41321	0.7
114.31793	0.6
115.05491	0.7
117.07067	0.7
118.05709	1.1
118.06557	18.3
123.65435	0.7
126.18372	0.7
130.06570	1.4
132.08110	4.1
142.06528	1.5
143.07326	2.3
144.08109	10.3
146.06027	56.7
147.04445	2.1
147.06329	0.9
159.09189	6.0
163.04007	1.5
170.06020	3.0
188.07091	100.0
189.07414	2.8
190.07779	0.7
205.09753	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.8
53.03937	5.9
55.01872	6.8
55.05516	40.8
57.03439	14.5
57.07064	1.9
59.04999	3.9
61.06615	1.4
65.03949	3.8
67.05509	100.0
69.03439	3.6
69.06735	1.7
69.07072	22.4
71.01340	1.7
71.04991	8.5
73.02907	5.6
77.65962	1.4
79.05499	47.2
81.03429	16.7
81.07059	84.7
83.04977	6.5
83.08624	27.3
85.02905	9.5
85.06519	4.1
87.04462	6.8
88.69315	1.5
91.04974	3.0
91.05487	34.8
93.06482	3.6
93.07050	59.4
95.04963	9.8
95.08616	26.5
97.02927	2.3
97.06556	9.5
97.10170	14.2
97.28890	1.6
98.21496	5.9
99.08106	2.5
105.07047	17.1
107.04963	5.9
107.08603	35.5
109.06531	3.2
109.09472	3.2
109.10165	42.2
111.08096	6.4
116.04700	1.7
117.07000	10.5
119.08597	8.7
121.06497	4.6
121.10130	11.5
123.08104	1.8
123.11688	4.7
125.09631	17.3
129.05499	7.8
129.07031	2.5
131.08566	15.6
132.08914	1.8
133.10120	16.4
135.08107	1.8
135.11684	14.8
143.07051	2.4
143.10706	2.1
145.10133	5.3
147.11736	4.5
149.13266	17.5
153.12723	2.4
155.10724	2.8
159.11714	9.4
163.11180	8.1
171.45369	1.7
173.11768	14.0
177.12744	5.4
181.12241	2.4
191.10707	4.0
193.12299	2.9
195.13805	22.1
199.13332	9.3
209.11685	7.8
213.14795	1.9
227.12791	5.8
229.14331	42.7
239.16454	2.3
247.13274	3.2
257.13849	2.4
267.16025	4.6
269.17502	68.7
283.15393	2.5
291.15976	2.3
298.11929	1.7
301.16461	12.1
393.26563	2.8
411.27328	6.1
423.27362	21.1
429.11212	2.0
495.29514	26.7
513.30652	19.8
530.39294	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	530.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80338	1.1
51.83421	1.0
53.03945	3.8
55.01868	3.9
55.05269	1.4
55.05513	18.2
55.57090	0.9
57.03438	15.0
61.58632	1.1
63.34565	1.3
65.03949	1.7
67.05506	26.2
69.03445	5.1
69.03728	0.8
69.06789	0.8
69.07072	10.3
69.88663	2.4
69.89066	1.8
71.05000	5.2
75.30978	0.9
75.71688	0.9
77.03929	1.1
79.05492	26.9
79.46981	1.2
81.03420	73.8
81.06594	1.8
81.07056	30.7
83.04980	20.0
83.08624	24.5
85.02910	26.8
85.06565	1.3
88.69336	0.9
91.05485	40.9
93.07037	22.2
95.04382	1.6
95.04974	27.1
95.08603	14.7
97.02885	4.7
97.06535	4.8
97.10175	6.2
99.08076	1.3
105.04508	1.7
105.07037	25.4
107.04964	6.9
107.08600	7.9
109.06532	5.4
109.10148	2.5
111.08083	10.8
111.81734	1.0
113.06000	2.5
115.05474	2.0
117.07036	2.3
119.08584	18.9
121.06483	2.9
121.10136	10.3
123.08060	3.2
123.11678	1.7
125.09600	2.6
127.07575	1.1
128.46713	1.2
129.07021	13.3
131.08583	13.2
133.06454	3.8
133.10141	16.9
136.20529	1.1
137.09639	1.6
141.85713	0.9
142.07785	4.2
142.13203	0.9
145.10109	2.1
147.08028	2.8
147.11693	17.9
149.09642	7.7
157.10133	17.2
165.12785	2.5
175.11194	16.8
193.12244	58.2
211.13293	100.0
267.15906	29.3
285.16977	92.8
285.20267	2.5
321.58246	1.1
345.34900	1.2
350.24268	2.1
363.56131	1.1
367.22443	1.3
374.38470	1.3
385.23770	2.3
459.27362	9.9
477.28549	12.5
495.22308	2.2
495.29547	39.8
542.04590	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01879	3.3
55.05515	16.2
57.03439	13.1
67.05506	30.1
69.03423	4.3
69.07066	9.4
71.01345	1.5
71.04987	5.2
71.53645	1.5
79.05498	30.4
81.03419	70.6
81.07063	32.7
83.04983	16.8
83.08622	23.7
85.02910	24.5
85.06539	2.2
91.05489	37.2
93.07056	22.5
95.04973	33.0
95.08623	14.2
97.02893	3.3
97.06535	4.4
97.10168	5.0
98.59962	1.3
105.07043	27.7
107.04974	7.3
107.08575	9.9
108.62147	1.4
109.06523	8.3
109.10197	4.2
111.04432	3.5
111.08105	13.0
113.06011	3.0
115.05475	1.5
117.07030	3.3
119.04932	1.6
119.08578	22.2
121.06509	2.2
121.10158	10.2
123.08068	4.0
123.11726	3.9
125.09656	1.5
129.07028	11.9
131.08578	14.6
131.84747	1.5
133.06500	4.2
133.10144	14.3
135.08022	3.1
135.11656	1.8
137.09703	2.4
141.00729	1.4
142.07802	2.4
145.10141	1.8
147.08044	3.5
147.11693	17.0
149.09618	10.2
149.13176	2.6
151.11166	3.7
157.10139	14.4
159.26425	1.5
163.11188	1.5
165.12764	4.8
168.26228	1.4
175.11194	19.5
193.12254	58.1
211.13295	86.5
259.20779	1.8
267.15921	29.1
285.16974	100.0
320.28650	1.7
367.22806	2.5
385.23764	2.6
403.24722	2.1
459.27469	11.9
477.28494	25.4
495.29535	71.3
496.29529	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.01881	1.3
55.05511	13.6
57.03435	3.0
57.07084	1.8
65.03936	2.7
67.05508	36.9
69.03447	1.4
69.07076	11.6
71.04996	1.6
71.54179	1.0
79.05496	29.6
81.03417	8.3
81.07059	41.6
83.05003	2.8
83.08614	7.9
85.06547	2.4
87.04467	5.9
91.05492	21.8
93.07050	31.6
95.04980	4.5
95.08044	0.7
95.08611	19.4
97.06532	2.8
97.10174	2.1
99.08135	1.1
105.04550	1.3
105.07036	17.3
107.08611	17.3
108.08923	1.4
108.34313	0.9
109.06508	1.2
109.10167	9.2
111.08113	2.6
115.05509	1.6
117.07028	9.7
119.08587	13.7
121.10155	12.6
123.11716	3.3
126.74261	1.2
129.07018	5.3
131.08575	14.6
133.10146	12.1
135.11697	8.0
142.07813	1.4
143.08580	6.3
145.10138	13.1
147.11685	6.7
149.09579	1.7
149.13269	7.9
155.08571	3.4
157.10110	6.5
159.07971	0.9
159.11693	10.6
161.13287	4.0
169.10146	3.4
171.11707	5.1
173.13274	6.8
175.14835	1.8
177.12788	1.6
181.10159	2.3
183.11670	2.3
185.13312	2.9
185.18523	1.0
187.14937	2.6
193.12251	1.8
195.11909	1.0
195.13780	2.2
197.13326	2.3
199.14905	2.2
215.18153	1.0
225.16548	1.3
256.26382	5.9
261.22253	1.6
285.22284	1.5
317.24683	1.6
326.74261	1.1
353.90405	1.0
419.33002	1.9
437.34158	8.0
455.35349	3.9
511.37875	5.9
529.38922	100.0
530.38733	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05308	0.5
53.72146	0.4
55.01876	0.8
55.05510	1.1
57.03442	5.0
57.07081	1.9
59.04998	0.8
60.04518	0.9
64.83717	0.4
67.05505	1.9
68.05859	0.6
69.03431	19.4
69.07071	0.9
69.83223	1.1
69.83615	1.1
71.08633	2.0
73.02965	0.4
75.04466	0.5
79.05508	1.2
81.03432	2.1
81.07066	1.6
83.04969	0.9
83.08643	1.1
85.02908	15.5
87.04469	13.9
91.03913	0.6
91.05480	2.4
93.07066	1.4
95.08630	1.3
97.02894	16.4
99.04446	1.0
105.07027	3.8
107.08617	0.7
109.02898	0.8
109.10175	1.3
111.04500	0.6
115.03932	24.4
117.07006	2.5
119.08562	2.5
123.04453	0.5
127.03920	3.1
129.07021	1.2
130.07860	2.3
130.22063	0.5
131.08572	8.1
133.04968	25.6
133.10085	0.7
142.07841	0.7
143.08589	1.5
144.09265	0.5
145.04980	5.4
145.10126	100.0
146.10475	0.6
147.11720	0.5
150.07632	4.4
153.36299	0.5
157.10150	2.5
159.10457	0.9
159.11711	9.0
163.06100	1.1
169.04993	0.9
169.10191	0.5
172.39101	0.5
193.12421	0.7
199.14908	2.4
201.16388	64.5
205.07047	0.5
213.16428	0.9
241.07079	1.5
243.17366	1.2
259.08063	1.9
277.09210	1.4
285.16809	0.7
295.10156	2.5
333.20480	1.9
530.28308	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30218	0.7
52.60385	0.6
53.03951	4.8
55.01879	1.2
55.05513	16.0
57.03442	4.4
57.07069	2.8
65.03937	2.8
67.05508	50.6
69.03429	1.5
69.06728	1.1
69.07072	16.5
69.58062	1.7
69.58482	2.7
71.04990	3.5
71.08624	0.6
77.03909	1.0
79.05496	41.8
81.03423	4.5
81.07060	50.9
83.05000	3.4
83.08619	8.1
85.06525	1.9
88.74632	0.6
91.05487	27.0
93.07048	47.1
95.04974	6.4
95.08610	27.9
97.06509	5.7
97.10181	2.9
99.08092	1.9
105.04515	1.5
105.07041	14.6
107.08600	25.1
108.78401	0.7
109.06541	1.9
109.10156	6.3
111.08102	3.6
113.09641	0.7
115.05503	0.6
117.07030	9.2
119.08589	12.7
121.06502	0.7
121.10148	19.5
123.08081	1.1
123.11700	2.7
125.09628	1.4
129.07028	3.1
130.07838	0.7
131.08568	14.0
133.10133	9.9
135.08025	1.1
135.11691	10.2
137.09619	1.2
137.38956	0.7
139.11122	0.9
143.08568	4.5
145.10120	9.1
147.11700	6.4
149.09555	0.9
149.13275	17.8
155.08563	1.1
157.10114	3.7
159.11682	12.3
161.13286	2.9
169.10152	1.7
171.11719	3.2
173.13293	4.2
175.14812	2.0
177.12779	3.3
181.10042	0.8
183.11650	1.5
185.13264	2.5
187.14880	1.3
189.16295	0.7
193.12338	1.1
195.13747	5.6
196.38712	0.7
197.13324	1.9
199.14870	2.0
201.16519	0.9
209.13281	0.9
211.14981	1.3
213.14769	1.0
223.14641	0.7
243.21063	0.8
256.26303	1.4
259.32199	0.7
261.22244	4.7
317.24823	1.6
419.33087	1.1
437.34158	4.7
455.35172	2.1
511.37875	1.6
529.38922	100.0
535.98230	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.5
51.08686	0.4
52.02469	0.4
53.03947	3.5
55.01875	1.0
55.05268	0.8
55.05518	12.5
57.03444	3.5
57.07068	2.0
65.03941	2.2
67.05512	50.0
69.03436	1.0
69.07075	15.0
69.25200	3.7
71.04997	2.7
71.08602	0.6
73.02852	0.4
77.03923	1.6
78.35935	0.4
79.05501	41.6
81.03433	4.2
81.07066	51.5
83.04990	3.9
83.08621	9.8
85.06535	2.2
91.05492	25.2
93.07053	50.7
95.04974	4.7
95.08614	25.7
97.06548	5.5
97.10175	2.1
99.08117	1.7
105.04507	1.5
105.07043	14.8
107.05008	1.2
107.08604	24.9
109.06544	1.8
109.10175	7.2
111.08086	4.6
113.09628	0.5
115.05444	0.9
116.06219	0.6
117.07027	7.1
119.07805	0.8
119.08601	10.7
121.06447	0.6
121.10156	18.7
123.11720	1.9
125.09638	0.7
128.06197	0.6
129.07030	2.4
131.08575	11.8
133.10147	9.4
135.08057	0.8
135.11708	10.7
139.11198	0.8
143.08566	2.1
145.10130	7.0
146.56441	0.5
147.11710	4.1
149.09677	1.0
149.13266	20.0
155.08594	0.8
157.10175	3.0
159.11716	10.7
159.13034	0.7
161.13261	2.5
163.14801	0.8
165.12743	0.6
169.10126	1.0
171.11740	2.2
173.13263	4.1
175.14870	0.9
177.12749	4.2
183.11732	0.8
185.13281	0.8
187.14835	1.4
189.16426	0.6
193.12267	0.9
195.13773	5.4
196.68518	0.5
199.14827	1.1
201.16374	0.5
211.14795	0.5
213.14790	1.1
243.21144	1.1
245.36717	0.5
259.20554	0.6
261.22141	4.3
299.23764	0.7
317.24750	1.1
419.33154	0.8
433.33258	0.5
437.34164	2.4
455.35519	1.3
510.71762	0.5
511.37839	2.1
529.38940	100.0
530.39160	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.7
55.01867	14.9
55.05509	28.2
57.03203	1.9
57.03445	17.8
61.02929	36.2
65.03939	3.7
67.05508	72.1
69.03435	25.2
69.06734	2.9
69.07071	31.8
69.78121	7.0
69.78530	5.4
71.04978	6.6
72.09415	2.2
73.02919	22.7
73.38737	2.2
77.03916	2.7
79.05080	3.6
79.05500	56.2
81.03426	25.7
81.07059	100.0
83.04982	16.9
83.08626	15.1
85.02905	35.3
85.06581	5.3
91.03949	16.1
91.05479	52.2
93.07047	55.8
95.04987	13.4
95.08613	39.4
97.02893	30.6
97.06548	18.8
97.10159	10.8
98.21458	2.8
99.04465	8.5
99.08065	3.8
101.02381	6.5
103.03982	3.3
105.07043	48.3
107.04950	16.7
107.08597	36.8
109.02874	8.7
109.06520	12.4
109.10164	20.9
111.08066	7.7
112.53116	2.6
117.07024	18.2
119.08588	48.7
121.06496	6.6
121.10155	22.1
123.08059	8.6
123.11707	10.6
123.53573	2.4
125.09602	10.8
127.03912	14.2
129.05547	2.9
129.06989	7.8
131.08583	21.8
133.06493	4.6
133.10138	37.6
135.08058	7.7
135.11687	14.7
137.09610	8.0
139.03891	2.3
139.11113	2.9
143.08546	5.5
144.53482	2.3
145.04938	4.9
145.06502	2.7
145.10129	26.3
147.08035	5.7
147.11696	27.0
149.09633	12.8
149.13243	14.7
151.11150	5.3
155.08531	3.8
157.10063	11.2
159.11673	18.8
161.09671	2.6
161.13269	6.7
163.11150	9.4
165.12758	8.3
169.10117	4.1
171.10277	3.4
171.11694	7.6
173.13266	7.0
175.11183	5.2
175.14835	2.8
177.12737	7.6
183.06505	3.9
185.13313	4.1
187.82230	2.2
189.11163	6.1
191.14265	3.0
193.12250	4.5
195.13817	9.5
197.13210	3.8
213.14818	3.9
227.12801	4.6
229.14262	2.8
229.19641	3.4
239.17949	8.3
245.13831	2.7
247.20630	5.6
255.15938	3.5
257.04413	4.7
257.18985	14.3
267.15985	4.5
269.17422	24.2
275.20068	77.6
285.16974	5.4
293.21085	8.4
299.19852	2.9
313.21738	2.8
331.22598	4.1
349.23785	84.7
367.24854	42.1
391.24869	4.0
413.21307	4.0
493.27911	4.5
511.28973	8.9
529.11334	5.7
529.28821	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	529.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.8
55.01877	12.8
55.05516	22.1
57.03437	13.3
57.07057	2.7
61.02932	36.2
65.03940	3.3
67.05507	43.0
69.03436	21.2
69.07075	28.0
69.76758	6.9
69.77162	3.4
71.01364	4.6
71.04990	6.5
71.26329	1.5
73.02919	16.4
76.46397	1.7
77.35287	1.7
77.47881	1.6
79.05071	2.9
79.05498	39.1
81.03423	16.6
81.07063	100.0
81.34778	2.0
83.01382	1.5
83.04972	7.8
83.08627	14.0
85.02909	40.2
85.06534	2.3
91.03961	18.4
91.05490	38.6
93.06478	3.0
93.07050	36.6
95.04984	14.0
95.08612	30.8
97.02896	34.4
97.06545	13.8
97.10179	4.9
99.04453	5.8
99.08099	5.1
101.02387	7.0
103.03967	3.7
105.07036	37.9
107.04977	11.0
107.08607	24.3
109.02908	10.0
109.06521	20.3
109.10166	16.9
111.04460	2.2
111.08064	6.9
115.03902	2.4
117.07021	11.2
119.08601	32.0
121.06491	4.2
121.10158	19.2
123.08060	7.9
123.11731	10.6
125.09617	7.4
127.03925	15.3
129.05473	4.6
129.06996	3.5
131.08588	13.3
133.06447	2.3
133.10141	25.9
135.08087	6.4
135.11691	9.1
137.09599	7.0
137.13182	2.0
139.03918	3.1
139.11150	1.7
141.06996	2.1
143.08522	4.6
145.04990	4.6
145.10141	18.8
147.11703	35.6
149.09641	12.0
149.13264	12.4
151.11238	2.9
153.05464	2.1
155.08617	2.0
157.10155	7.0
159.08020	2.5
159.11729	11.3
161.09622	2.8
161.13274	7.8
163.11166	9.0
165.12749	7.3
169.10147	3.3
170.73984	1.8
171.06572	2.0
171.10263	1.8
171.11659	4.7
173.09628	2.2
173.13257	6.0
175.11185	6.3
177.12755	5.4
179.14340	3.5
183.06534	4.3
183.11703	3.5
185.13335	3.3
187.11218	2.9
189.11247	4.6
193.12227	4.9
195.13823	3.9
197.13274	3.5
201.07643	3.6
201.12711	2.6
201.16466	2.2
203.17982	20.1
205.15862	2.2
215.17946	3.3
219.13724	2.3
227.12796	2.7
229.14299	3.6
229.19511	5.5
233.19095	2.9
239.17970	6.1
245.13931	2.3
247.20578	4.8
257.19040	11.5
269.17447	2.7
275.20096	73.4
276.28427	1.7
287.20078	2.1
293.21164	23.0
349.19754	3.4
349.23764	37.4
365.23108	3.5
367.24802	56.4
383.24188	5.4
391.24899	3.2
475.26685	2.4
511.29077	6.3
529.29791	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	529.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79604	0.7
55.05504	0.6
57.03449	6.0
59.04995	0.6
62.94274	0.7
67.05489	0.6
69.03436	15.8
69.59430	1.4
69.59843	2.5
74.17514	0.5
75.45433	0.6
79.05505	0.8
81.03427	0.8
81.07034	1.1
85.02914	9.7
87.04469	7.2
91.05483	0.8
93.07036	0.8
97.02900	8.1
105.07022	1.0
109.02856	0.7
110.80567	0.6
115.03947	4.9
119.08520	0.7
133.04982	2.6
147.04410	0.9
147.11694	1.1
202.06155	0.9
203.17955	0.9
217.05055	1.1
218.05771	4.8
219.06544	1.9
220.07323	0.9
229.05025	0.8
230.05772	2.9
231.10205	8.6
234.09000	1.4
235.09703	5.0
243.06526	2.4
244.07349	4.8
245.11743	4.8
247.05716	2.3
247.09685	79.5
248.06839	6.0
248.10437	5.2
258.08859	1.8
259.09695	8.8
259.13385	1.5
261.11273	1.8
268.07098	0.8
269.11673	0.8
271.06439	0.7
271.09668	1.4
272.10403	0.7
273.08063	1.2
273.11234	18.0
277.10736	100.0
285.11267	1.5
287.12827	10.3
289.10962	0.9
297.11252	2.7
301.10727	41.6
311.61069	0.7
313.07297	1.5
313.10699	10.5
314.07913	0.7
315.12354	2.4
325.10709	8.8
331.11789	23.5
343.11789	18.4
361.12866	18.3
379.13916	36.9
397.14984	52.9
402.70807	0.7
529.18829	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75765	0.7
56.96568	1.1
69.23415	0.7
69.39703	4.1
69.40114	1.3
71.04974	1.9
91.05507	1.1
98.20707	1.3
98.97592	1.5
115.05488	0.9
117.07014	0.9
118.06549	17.8
119.04897	1.7
127.11198	5.2
130.06529	2.0
132.08121	5.1
142.06535	0.9
143.07341	2.4
144.08105	12.5
145.12224	2.7
146.06027	62.9
147.04427	3.9
151.11179	1.1
159.09195	6.7
160.07626	1.1
163.03951	0.9
163.13345	0.9
170.06041	4.7
188.07082	100.0
189.07498	1.1
205.09744	47.5
237.02861	0.8
469.65405	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49413	1.3
54.18106	1.5
55.01876	5.7
57.03437	2.1
57.07067	3.0
61.02927	3.9
63.74936	1.2
66.99177	1.2
70.06588	2.7
71.53369	1.4
85.02904	3.7
86.09708	1.9
91.05471	1.7
103.03960	1.7
119.04991	1.5
121.02877	1.8
147.04507	1.4
191.03459	1.4
215.03535	1.6
229.05048	1.5
230.05740	3.6
232.11099	1.7
241.04971	2.5
242.05757	3.5
243.06435	2.7
244.07445	2.0
245.11833	2.8
247.09642	2.8
251.07031	1.8
253.05064	1.3
255.06570	4.6
256.07281	9.8
257.07895	2.6
257.11951	1.7
258.08878	13.8
259.09671	58.3
260.06885	1.5
260.10361	2.9
261.11346	3.6
267.06580	1.4
268.07336	3.0
269.08102	3.0
269.11365	1.7
270.08997	3.5
271.06674	1.9
271.09644	36.7
272.07181	2.4
272.10452	8.5
273.08340	1.9
273.11246	12.8
277.10760	3.1
279.06680	2.0
280.07370	3.0
281.11713	2.1
283.09662	4.4
284.10495	6.6
285.07907	1.6
285.11206	28.3
286.08383	4.1
286.11829	2.6
287.09198	2.5
287.12787	4.5
289.10718	51.7
293.11572	1.5
295.06177	3.0
295.09589	3.0
297.11224	12.9
298.08347	1.5
299.09549	2.6
299.12769	14.2
300.09964	3.0
301.10693	48.7
303.12384	3.9
307.06183	1.7
309.07980	2.4
309.11273	10.0
311.09262	2.1
311.12854	3.5
313.10715	39.0
313.14325	2.1
315.12271	18.3
319.11871	7.9
321.07449	2.1
323.12927	2.2
325.06973	2.9
325.10706	25.2
325.14233	2.3
326.11496	1.9
327.12329	22.1
331.11884	5.8
337.10742	15.9
337.14606	2.0
339.08670	1.9
339.12222	6.6
341.14291	1.6
343.11777	46.6
351.12421	3.6
353.13922	1.7
355.11743	52.1
357.13193	1.4
365.13696	2.6
367.11914	6.3
373.12845	67.3
379.11533	7.0
381.13412	4.7
385.12665	6.5
391.13889	100.0
393.13510	2.4
397.12766	9.3
403.13968	2.8
409.13242	6.0
411.14630	1.8
421.15027	7.9
427.13864	4.5
439.15048	7.3
445.14972	24.7
457.14923	11.5
463.16000	11.4
475.16022	73.1
493.17148	27.1
511.18338	8.5
529.19415	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	529.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89940	2.0
55.01873	3.4
56.56537	2.0
57.07076	5.3
61.02912	2.9
70.98537	4.1
70.98875	3.6
85.02899	7.3
88.57526	2.1
112.65545	2.0
121.02823	2.3
139.61105	2.3
201.05415	2.3
215.06985	2.8
229.04961	4.9
230.05779	5.4
231.06613	2.9
231.10004	2.2
232.07329	3.9
232.10970	3.2
241.04939	3.8
242.05774	4.4
243.06526	7.1
243.10075	3.6
244.07283	2.9
247.09674	7.3
254.05696	3.3
255.06485	3.9
255.10252	2.8
256.07330	6.7
258.08856	26.6
259.09662	100.0
260.06802	3.2
260.10403	4.3
261.11203	7.5
267.06497	3.3
268.07294	3.0
271.09637	66.9
272.07062	3.6
272.10376	12.2
273.11258	16.4
277.10693	8.2
281.11624	4.6
282.08829	3.0
283.09653	9.9
284.10315	5.0
285.07779	3.3
285.11197	33.2
286.08569	4.0
286.11783	4.2
287.09167	4.4
287.12769	7.4
289.10706	90.7
293.11752	4.2
295.06006	5.0
297.11346	18.9
298.11954	3.2
299.09177	5.8
299.12701	11.2
301.10709	72.3
303.12039	4.1
304.29498	2.3
309.11118	5.7
311.09543	3.3
311.12759	12.5
313.07297	3.8
313.10706	48.2
315.12210	26.6
317.10132	2.8
319.11761	11.9
323.12607	4.8
325.10678	28.7
327.12183	11.9
329.13864	8.2
331.11673	10.1
337.10605	7.7
339.08633	3.3
339.12177	11.7
341.13876	4.1
343.11774	95.1
349.10519	3.1
351.12198	6.1
355.11871	32.0
357.13037	4.6
361.12805	53.5
365.13666	4.2
367.11755	30.9
369.13403	9.3
373.08551	3.1
373.12827	31.2
379.14352	12.8
383.14743	4.2
385.12888	18.7
388.64838	2.5
391.14154	21.2
393.13608	2.7
397.12830	19.4
403.13934	14.0
409.15079	35.5
415.13907	37.3
421.15024	52.9
427.13849	5.9
433.15012	41.9
439.13907	11.5
445.15002	34.9
451.93243	2.5
457.14914	29.7
463.15997	28.2
475.16016	38.7
493.17068	43.8
511.11722	3.0
511.18130	25.3
529.18848	9.0
529.26666	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	528.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.1
55.01878	5.7
55.05512	4.0
57.03439	12.9
57.07072	2.8
59.05024	2.9
61.02926	6.0
67.05505	4.8
68.10794	2.1
68.99796	2.8
69.03436	79.8
71.04977	2.1
73.02900	4.1
76.59664	2.0
79.05498	3.0
81.03433	27.3
81.07060	5.7
83.01367	2.6
83.04983	8.2
85.02912	100.0
87.00839	40.1
87.04485	13.4
91.05508	4.4
92.05836	2.9
93.07070	4.2
95.08632	3.3
97.02899	69.7
99.04475	13.9
103.03922	2.7
104.47421	2.2
105.01877	78.7
105.02583	4.0
105.07029	4.3
107.08580	4.0
109.02885	29.5
109.10105	2.1
111.04453	5.7
115.03933	29.5
117.07043	2.3
125.02350	2.9
127.03928	85.4
129.01791	5.0
129.05508	3.2
133.04996	14.3
139.03920	2.7
145.04987	35.0
145.10207	2.3
149.09651	3.5
150.07668	15.2
159.02866	7.2
177.05498	4.8
189.03973	5.4
194.12332	2.3
213.04010	8.3
215.05411	3.8
223.06067	4.9
231.05006	41.6
241.07095	7.1
249.06166	13.6
327.07098	7.2
345.08151	20.4
348.22430	3.7
361.18921	3.0
363.09290	4.7
529.33600	3.9
554.04663	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	528.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53572	0.7
55.05513	8.3
55.88321	1.0
57.03438	5.4
57.07080	14.2
59.05009	4.3
67.05496	0.9
69.03432	21.1
69.07072	60.7
69.94376	4.1
70.22170	0.7
71.04999	5.4
71.08633	8.4
73.02897	0.8
73.06566	12.5
79.05498	1.1
81.03439	1.1
81.07064	1.6
83.08633	1.8
85.02913	17.1
85.10187	5.0
87.04472	11.2
89.06038	32.5
91.05447	1.1
97.02897	14.0
111.11729	85.2
115.03159	1.7
115.03932	16.3
115.66470	0.7
117.63096	0.8
127.03944	1.4
129.12764	100.0
133.04970	13.8
145.04991	1.1
199.16956	23.1
217.18001	42.0
259.08499	0.8
347.25772	1.4
348.25940	6.2
432.14685	1.0
510.18506	1.0
528.32312	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	18.8
69.43093	7.3
69.43501	2.8
70.78088	1.3
78.49616	1.2
84.96033	11.9
85.02932	1.7
98.97594	100.0
105.65263	1.2
110.97575	32.5
112.99149	2.1
115.00692	1.9
116.98629	23.3
118.71686	1.2
119.04986	1.7
124.99109	9.9
126.97027	1.3
127.00703	1.6
128.98624	18.1
134.99640	2.8
140.98611	12.1
143.00183	25.0
144.98067	6.1
146.99666	4.5
147.04407	5.5
152.98557	5.9
155.00217	2.4
157.01674	1.2
158.99675	35.9
159.00896	1.4
161.01268	13.0
162.99144	6.7
170.99669	33.2
173.01324	1.2
177.00717	16.4
181.00343	2.0
182.99664	26.0
185.01247	8.2
186.99109	7.0
189.00742	19.3
194.99644	2.0
201.00719	56.1
203.02287	8.7
205.00249	15.7
207.01825	2.6
213.00749	5.6
215.02246	2.6
219.01778	45.9
223.01265	9.3
227.02237	1.9
229.00305	2.5
231.01785	4.5
235.01349	1.2
237.02879	14.5
240.40585	1.3
243.01790	22.1
244.99716	1.4
247.01320	10.9
247.03920	1.3
247.04724	1.3
251.04317	1.6
261.02841	67.7
265.02304	7.6
273.02823	6.4
277.02338	3.6
279.03931	30.8
287.04385	6.2
291.03845	14.1
301.19141	1.4
305.05609	3.4
307.03360	7.8
309.04941	1.6
317.01984	1.7
321.04935	31.6
331.03436	2.0
333.04880	4.7
335.02859	4.4
349.04486	8.6
351.05948	13.6
367.05621	11.7
381.07071	27.3
399.08218	25.4
441.09402	7.7
467.10956	7.0
469.08658	21.3
493.08887	2.9
511.09784	3.9
529.10779	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	527.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51247	0.5
53.03962	1.6
55.01868	1.3
55.05514	10.5
57.03439	2.5
57.07064	1.6
59.04990	0.6
65.03938	1.4
67.05510	21.4
68.25477	0.6
69.03423	1.1
69.07072	10.3
69.98713	1.9
71.04996	1.6
76.17500	0.5
79.05499	15.0
81.03416	2.6
81.07060	20.6
83.04976	1.8
83.08625	4.6
84.15580	0.6
85.06554	1.7
91.05486	14.7
93.07046	16.9
95.04966	1.9
95.08610	14.5
95.09180	1.2
97.06520	2.7
97.10152	3.2
99.08102	0.9
100.08571	0.5
105.07033	15.2
107.04957	0.8
107.08598	7.1
109.06519	0.7
109.10160	5.5
111.08102	1.7
115.05445	1.6
117.07037	8.6
119.08588	14.1
121.06533	0.7
121.10141	6.6
123.08105	0.8
123.11745	1.0
125.09648	1.4
128.06244	2.2
129.07007	8.3
131.08574	15.7
133.10149	7.5
135.08095	0.8
135.11668	2.9
137.09642	1.0
139.11247	1.2
141.07005	3.9
142.07805	2.6
143.08575	11.5
144.09346	0.8
145.06526	0.6
145.10135	14.0
147.11687	5.2
149.09708	0.8
149.13306	3.1
153.06999	0.6
154.07733	0.9
155.08569	8.0
155.21989	0.7
156.09381	1.0
157.10143	13.4
159.11705	10.2
161.13292	1.9
161.20961	0.7
163.14815	0.7
166.07727	0.6
167.08557	2.9
168.09306	0.9
169.10139	10.2
170.10901	0.6
171.11700	10.0
173.13275	6.0
175.14783	0.9
177.12778	0.6
179.08675	1.5
181.10138	3.2
183.11720	8.1
185.13269	7.9
187.14844	2.5
193.10190	1.2
193.12299	0.9
195.11726	2.9
197.13293	6.9
199.14836	4.4
201.16457	1.6
207.11772	1.7
209.13370	2.8
211.14763	4.1
213.16425	2.4
217.03413	0.7
221.13249	1.3
223.14862	2.6
225.16463	2.2
235.14883	1.0
237.16373	1.2
239.17891	1.0
241.19627	1.3
248.56540	0.6
249.16469	0.6
251.18015	1.3
253.19780	0.9
257.19211	1.1
259.20609	2.0
263.17941	0.7
265.19611	0.9
271.20718	0.6
279.21222	1.2
281.23114	0.6
297.22098	1.0
307.20651	0.8
309.22183	0.9
311.23608	1.1
313.21808	0.7
315.23251	1.7
323.23831	1.2
327.23334	0.6
335.23740	1.0
337.25357	0.9
355.26660	1.0
417.31689	4.1
425.34427	0.8
435.32721	12.5
453.33630	6.2
471.34946	2.8
473.34216	0.8
491.35477	1.3
509.36368	6.8
527.37360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01861	1.9
55.05519	15.1
57.03453	2.9
57.07074	1.5
60.04530	6.0
61.26729	0.5
65.03931	1.1
67.05510	25.5
69.03436	1.2
69.07076	8.7
69.23180	3.2
69.23587	1.1
71.04990	1.5
72.49442	0.6
75.66137	0.5
79.05501	21.4
81.03429	10.2
81.07062	25.7
83.04985	3.6
83.08621	8.3
83.52927	0.6
85.06562	1.5
85.43678	0.5
91.05489	18.8
93.07055	21.1
95.04984	5.3
95.08614	19.1
97.06525	1.6
97.10176	5.4
98.21545	1.1
99.08079	1.0
105.04514	0.8
105.07040	17.1
107.04987	2.1
107.08599	11.6
109.06534	2.1
109.10169	9.0
111.08102	1.9
115.05476	1.6
116.06278	0.8
117.07022	9.4
119.08595	14.2
121.06496	0.8
121.10152	14.3
123.08081	1.2
123.11742	1.7
125.09672	3.4
125.10509	0.5
128.06226	2.1
129.07013	9.6
130.07814	0.7
131.08588	17.2
133.06461	0.7
133.10138	9.6
135.08055	0.9
135.11688	5.6
137.09642	1.1
139.03853	0.5
141.06985	2.7
142.07803	2.8
143.08583	10.6
144.09383	0.8
145.10130	13.2
147.08084	1.2
147.11679	5.8
149.09673	1.5
149.13249	3.6
153.07027	0.6
154.07857	1.3
155.08582	8.0
156.09297	0.9
157.10136	12.3
159.11697	8.8
161.09741	0.8
161.13245	2.7
163.11186	1.2
165.07047	0.7
167.08592	2.3
169.10138	7.4
170.10782	0.7
171.11700	7.9
173.09717	0.7
173.13287	5.3
175.11230	2.0
175.14816	0.7
181.10143	3.8
182.10976	0.8
183.11711	7.2
185.13290	6.6
187.14812	2.5
189.11255	0.9
189.12746	0.6
193.10417	1.0
193.12222	6.1
195.11725	3.6
197.13239	6.4
199.14841	3.8
201.12744	1.4
201.16504	0.7
204.31018	0.6
205.19545	5.8
207.11679	1.8
209.13248	3.1
211.14949	3.3
213.16422	2.3
221.13353	1.8
223.14806	2.9
225.16460	1.4
227.18092	0.9
235.14778	1.3
237.16435	1.7
239.17978	0.7
246.25926	0.6
249.16618	0.8
259.20514	0.7
260.52206	0.6
261.22110	1.8
264.23257	3.8
265.19485	0.7
269.18951	0.8
271.20773	0.7
279.21036	0.7
283.20630	0.8
291.21185	0.5
293.22562	0.7
295.20581	0.8
295.24286	0.6
297.22369	0.8
299.23535	0.9
301.25208	0.8
309.22070	1.1
311.24097	0.8
313.21515	0.7
315.23019	0.7
317.24832	0.9
321.22281	0.6
323.23788	1.5
325.25497	0.7
327.23233	1.0
339.23450	0.7
341.24783	1.3
349.25153	0.7
351.23148	0.6
355.26523	0.6
417.31543	3.7
435.32629	11.0
453.33740	7.6
471.34769	3.6
473.34372	1.1
491.35239	1.5
509.36432	7.2
527.37378	100.0
528.37891	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52672	0.4
52.12068	0.4
52.56553	0.4
53.03946	2.0
55.01860	1.4
55.05518	10.5
57.03440	2.1
57.07096	0.9
59.05003	0.9
64.39428	0.4
65.03935	0.8
67.05509	19.7
69.03432	0.6
69.07072	7.5
71.04990	1.2
71.53500	0.4
77.03943	0.7
79.05499	15.8
81.03426	8.4
81.07062	19.9
83.04981	2.1
83.08627	6.4
85.06546	1.3
85.68858	0.4
91.05489	14.3
93.07048	15.2
95.04967	3.6
95.08616	12.4
97.06526	1.2
97.10178	4.2
99.08071	0.5
105.04514	0.7
105.07041	12.2
107.04983	1.3
107.08609	9.1
109.06525	1.3
109.10165	5.7
111.08099	1.4
115.05450	1.0
116.06265	0.6
117.07030	8.1
119.08587	10.4
119.09370	0.8
121.10140	6.8
122.61108	0.5
123.08110	0.7
123.11683	1.2
125.09606	2.5
128.06226	2.1
129.07018	8.7
130.07799	0.8
131.08582	13.0
133.06497	0.5
133.10141	6.3
135.08049	0.7
135.11708	3.1
137.09631	0.7
141.07028	2.5
142.07829	2.1
143.08575	9.9
145.10135	10.8
147.08046	1.0
147.11732	4.1
149.09654	1.0
149.13242	2.0
154.07840	0.8
155.08566	6.5
156.09366	0.7
157.10141	10.7
159.11703	8.2
161.09663	0.5
161.13295	1.8
165.06990	0.6
166.07878	0.6
167.08517	2.2
168.09331	0.7
169.10161	6.1
171.11696	8.5
173.13278	3.7
175.11240	1.2
175.14912	1.5
179.08575	0.5
181.10152	2.9
182.11060	0.5
183.11716	5.6
185.13240	5.9
187.14854	1.9
189.11261	0.9
189.12897	0.5
193.10327	0.9
193.12276	4.5
195.11765	3.0
195.13344	0.5
197.13269	5.2
199.13307	0.6
199.14777	2.7
201.12733	0.5
201.16455	1.0
207.11737	1.5
209.13293	2.6
211.14874	3.4
213.12923	0.5
213.14665	0.6
213.16438	1.6
215.14308	0.6
221.13280	1.0
223.14928	1.7
225.16449	1.2
227.14342	0.6
227.18149	0.5
235.14891	1.0
237.16446	1.2
239.18130	0.8
243.21001	0.4
249.16698	0.6
251.17981	0.6
257.19199	0.6
259.20557	0.8
261.22131	1.2
265.19571	0.5
269.19113	0.5
283.20471	0.9
287.20413	0.6
295.20688	0.7
297.22305	1.0
301.25089	0.5
309.22134	1.5
311.23755	0.6
315.23303	0.6
317.24622	0.5
321.22269	0.5
323.23749	1.0
327.23389	0.7
335.23798	0.5
337.25504	1.0
339.23257	0.6
341.24954	0.8
349.25397	0.5
353.24820	0.9
379.26254	0.4
417.31750	2.8
419.28189	0.5
425.34656	0.5
435.32596	10.0
445.30380	0.5
453.33746	5.7
471.34879	2.4
473.34103	0.7
481.33066	0.5
491.35541	0.8
509.36285	6.4
527.37372	100.0
528.37732	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01865	2.1
55.05509	12.5
57.03439	2.8
57.07077	1.3
65.03954	0.8
67.05505	25.1
69.03410	0.6
69.06725	0.8
69.07069	9.4
71.04999	1.5
79.05495	16.7
81.02940	0.6
81.03413	10.0
81.07056	23.3
83.04985	1.8
83.08625	7.7
85.06563	1.2
91.04898	0.8
91.05481	17.3
93.07046	17.7
93.07636	1.0
95.04572	0.4
95.04978	4.9
95.08604	15.3
97.06517	2.9
97.10162	4.5
98.21534	0.9
103.05460	0.9
105.04489	0.6
105.07036	14.4
107.04955	0.9
107.08593	10.7
109.06513	1.8
109.10153	7.1
111.08073	1.4
115.05458	1.4
117.07013	9.1
119.08585	11.8
121.06567	0.7
121.10146	7.2
123.08043	0.7
123.11683	1.2
125.09626	2.6
127.07546	0.5
128.06235	1.9
129.07007	8.1
130.07750	0.7
131.08563	13.5
133.10127	7.8
135.08061	1.1
135.11673	3.8
137.09583	1.4
139.11223	0.7
141.06966	2.7
142.07793	2.4
143.08569	9.8
143.09575	1.0
145.10124	12.9
147.08061	0.8
147.11684	4.1
149.09644	0.5
149.13243	3.0
154.07803	0.7
155.08562	5.6
156.09326	1.4
157.10135	12.2
159.11697	10.1
161.09659	0.6
161.13295	2.6
163.11188	0.7
167.08585	1.9
168.09335	1.1
169.10126	8.6
171.11656	7.8
173.11803	1.3
173.13231	7.5
175.11255	1.5
175.14786	0.5
180.09334	0.9
181.10172	2.8
183.11685	7.1
183.27390	0.5
185.13290	6.1
187.14825	2.4
189.11244	0.8
189.12814	0.7
193.10179	1.4
193.12259	4.3
195.11731	3.0
195.13681	1.0
197.13278	6.2
199.14844	3.8
201.12804	0.7
201.16544	0.9
207.11732	0.7
209.13277	2.6
211.14906	2.4
213.16327	2.4
221.13417	0.9
223.14862	1.7
225.16354	1.4
235.14911	0.9
237.16368	0.8
239.18085	0.9
243.21260	0.7
249.14761	0.7
250.72285	0.6
259.20639	1.9
261.22241	1.4
267.20883	0.6
269.17233	0.6
279.21115	0.7
295.20544	0.7
297.22214	0.9
299.23605	1.1
301.25159	1.0
309.22232	1.2
311.23782	0.7
315.23239	2.1
323.23740	0.6
327.23114	0.8
337.25372	1.2
339.27045	0.7
341.24854	1.0
353.24783	1.0
355.26346	1.1
368.58731	0.6
417.31619	2.8
425.34073	0.8
435.32623	10.1
453.33658	7.4
471.34729	3.5
473.34152	0.9
483.06586	0.6
483.13678	0.6
491.35358	0.8
509.36310	6.6
527.37341	100.0
528.37598	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.3
57.07074	10.5
59.04991	3.4
67.05243	2.3
67.05513	26.3
69.03430	4.2
69.07072	54.5
70.18731	7.1
71.04990	3.4
71.08625	4.5
79.05502	15.5
80.20401	2.4
81.06593	5.2
81.07063	100.0
83.08620	21.6
85.02900	3.4
85.06571	14.3
91.05473	6.9
93.07045	29.0
95.08614	79.5
97.06544	6.8
97.10173	7.5
99.08101	9.8
105.07032	8.7
107.08614	31.2
109.10178	32.0
111.08080	16.5
111.11734	17.8
119.08614	5.2
121.10158	16.1
123.04359	2.5
123.11725	40.7
125.13321	3.2
127.11197	4.3
133.10190	3.4
135.11702	15.9
137.13274	38.7
139.02754	2.5
147.11702	6.6
149.13266	38.8
151.14838	5.3
153.12764	26.6
155.14304	10.4
163.14813	11.4
165.16351	2.7
167.14322	9.0
171.13785	7.9
173.15350	6.6
174.60164	2.5
177.16403	4.6
191.17952	3.2
200.68918	2.3
203.18051	3.7
204.18407	3.8
205.88628	2.3
221.19234	2.6
239.23834	2.6
257.21283	2.5
273.25812	4.4
279.26840	13.5
291.26889	28.6
297.27893	7.2
309.27911	57.8
315.28989	6.7
327.28928	13.9
345.30017	11.7
443.21225	3.9
525.22180	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	527.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35248	0.4
53.03944	1.4
54.95049	0.4
55.01878	2.3
55.05516	11.2
57.03446	2.8
57.07073	0.8
59.04990	0.7
65.03943	1.6
67.05511	22.7
69.03423	1.0
69.07076	8.1
69.82202	2.1
71.04993	1.6
73.30942	0.4
79.05499	17.5
81.03423	9.7
81.07065	18.9
83.04979	1.7
83.08159	0.5
83.08630	6.7
85.02925	0.4
85.06548	0.9
91.05488	13.9
93.06482	0.8
93.07052	14.6
95.04970	4.3
95.08617	15.2
97.02925	0.6
97.06534	1.8
97.10191	5.0
98.20757	0.8
105.04507	0.5
105.07037	12.1
107.04975	1.6
107.08606	9.8
109.06505	1.2
109.10170	8.2
111.04495	0.5
111.08083	1.9
113.56221	0.4
115.05495	1.0
117.07023	7.0
119.08586	10.4
121.06524	0.8
121.10159	6.4
123.08086	1.0
123.11714	1.4
125.09618	3.3
128.06235	1.9
129.07025	7.3
130.07788	1.0
131.08577	14.5
133.06503	1.0
133.10143	7.7
135.08099	0.5
135.11713	4.0
137.09621	1.4
139.03957	0.7
141.07010	2.9
142.07796	1.8
143.08572	9.2
145.10130	12.0
147.08026	1.0
147.11697	5.2
149.09630	0.8
149.13297	2.1
154.07787	0.8
155.08580	6.6
156.09305	0.7
157.10147	10.1
159.11693	8.2
161.13214	2.5
163.14890	0.5
165.07024	0.9
167.08623	1.8
168.09354	0.7
169.10143	7.9
169.11563	0.5
171.11688	7.5
171.95692	0.5
173.11813	0.8
173.13264	5.5
175.11221	1.7
175.14815	1.4
179.08522	1.1
181.10130	3.4
182.10904	0.7
183.11705	7.8
185.13269	5.8
187.14804	2.5
189.11264	1.0
193.10204	1.3
193.12282	5.3
195.11731	3.3
197.13263	5.0
199.11378	0.4
199.14848	3.5
201.16359	0.7
207.11765	1.6
209.13298	2.6
209.81235	0.4
211.14856	3.1
213.16455	1.6
221.13313	1.5
223.14862	2.6
225.16406	1.6
226.89346	0.5
227.14447	0.5
235.14883	1.5
237.16591	0.9
239.17908	0.7
243.21074	0.9
249.16618	0.7
251.17990	0.9
261.22253	1.6
263.18018	1.0
265.19638	0.7
275.20270	0.4
277.19409	0.6
283.20724	0.7
285.22110	0.6
287.20178	0.6
295.20688	0.5
297.22064	1.0
299.20123	0.6
299.23538	0.7
301.22177	0.5
301.25333	1.4
309.22095	1.1
311.23630	0.9
315.23196	0.9
317.24481	0.8
321.22488	0.5
323.23660	1.9
327.23315	1.2
329.24911	0.5
335.23605	0.7
337.25290	1.2
339.23318	0.7
341.24847	1.2
345.83209	0.5
347.17157	2.1
351.22949	0.6
353.24994	0.8
355.26285	0.7
367.26416	0.8
367.68686	0.6
407.33322	0.8
417.31641	4.0
435.32593	12.9
453.33716	7.2
471.34930	2.8
473.34207	1.1
491.35165	1.6
509.36386	7.1
527.37372	100.0
528.37732	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05932	2.1
53.03937	2.6
55.05505	13.8
57.07061	11.4
57.62426	2.6
59.04993	2.8
62.73231	2.4
67.05505	21.4
69.03429	6.2
69.06735	3.1
69.07071	41.9
70.05925	12.2
71.04994	5.5
71.08626	3.8
75.11322	2.4
76.75822	2.4
79.05480	14.5
81.07056	100.0
81.07532	5.8
83.04996	2.5
83.08625	19.0
85.02884	7.5
85.06547	49.9
91.05481	4.2
93.07047	36.0
95.08612	77.3
97.06508	6.3
97.10167	7.2
99.08113	13.6
100.44777	2.6
101.67583	2.2
104.46828	2.5
105.07026	7.3
106.94289	2.6
107.08590	32.8
109.09473	3.8
109.10163	45.7
111.08055	11.4
111.11713	10.7
113.09651	3.6
119.08572	7.1
121.10158	23.9
123.11702	41.9
125.09603	10.1
125.13253	3.2
133.10139	5.7
135.11694	18.5
137.13260	30.2
139.11177	6.1
147.11679	5.7
149.13266	30.5
151.14798	7.6
153.12733	11.6
155.14273	5.8
161.13173	4.4
163.14789	12.5
165.12721	6.1
167.14304	3.7
171.13794	6.7
175.14772	3.2
177.16339	12.1
181.15804	3.2
183.97406	2.5
191.17990	4.4
195.17459	3.3
213.18436	7.7
217.19223	2.9
250.40642	2.6
261.25989	3.4
273.25702	11.3
279.27008	13.7
291.26904	42.3
297.27808	20.7
309.27866	49.2
327.28973	28.7
338.24850	2.7
345.29742	8.1
525.22577	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	525.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46282	0.5
53.03939	1.2
54.02629	0.5
54.59153	0.4
55.01868	1.6
55.05267	0.9
55.05517	10.0
57.03448	2.7
57.07073	0.8
65.03937	0.7
67.05508	17.4
69.03442	0.6
69.07075	7.8
71.04987	1.8
79.05498	10.3
79.34079	0.5
81.03410	0.9
81.06586	1.1
81.07063	16.2
83.04992	1.9
83.08619	4.8
85.06540	1.5
90.18032	0.5
91.04913	0.9
91.05489	13.3
93.07047	10.5
95.04965	1.7
95.08614	10.4
97.06517	1.6
97.10181	2.5
98.20781	1.0
103.05488	0.6
105.07034	11.1
107.04971	1.0
107.08602	4.9
109.06516	1.1
109.10172	5.6
111.08101	1.1
115.05445	1.1
117.07021	6.3
119.08590	9.8
121.06526	0.7
121.10165	2.7
122.11450	0.5
123.08097	1.4
125.09634	1.4
128.06233	3.3
129.07010	11.2
131.08571	8.7
133.06493	0.8
133.10107	5.2
135.11667	1.3
137.09666	1.1
139.11191	0.9
141.06985	6.4
142.07773	2.5
143.08566	14.0
143.09712	0.8
145.10136	7.8
147.08028	1.1
147.11728	2.9
149.09650	0.6
149.13338	0.9
153.07031	2.2
154.07803	2.5
155.08559	13.4
156.09363	1.4
157.10126	11.3
157.11337	0.9
159.08060	0.7
159.11693	4.6
161.13197	0.6
163.18336	0.5
165.07082	1.9
166.07857	1.5
167.08551	6.6
168.09354	2.0
169.10136	15.5
171.08029	0.6
171.11688	9.0
173.11893	1.0
173.13222	3.0
178.07867	0.6
179.08519	3.4
180.09410	1.5
181.10132	10.1
182.10954	1.0
183.11696	12.7
185.13243	6.6
187.14891	0.8
191.08615	1.2
192.09512	0.8
193.10172	4.1
193.11984	0.9
194.10956	0.9
194.90446	0.6
195.11707	9.7
196.12488	1.2
197.09671	0.5
197.13251	9.3
199.11348	0.5
199.14842	2.9
201.12897	0.8
205.10173	1.2
206.10864	0.8
207.11705	4.9
209.13243	8.1
211.14854	4.7
213.12895	0.6
213.16507	0.9
218.10928	0.6
219.11673	1.8
220.12581	0.6
221.13217	4.8
223.14815	5.5
225.16466	1.7
233.13338	1.4
235.14854	3.9
237.12842	0.7
237.16418	2.2
239.14383	0.6
239.18037	0.9
247.14854	1.5
249.16458	1.5
257.15729	0.6
259.20679	0.8
261.16428	1.2
263.17999	1.1
267.85065	0.6
271.17160	0.8
275.18042	0.9
277.19482	0.8
281.19214	0.9
283.17230	0.6
283.20340	0.7
291.21069	0.9
293.18924	1.3
295.20682	1.6
297.18976	0.8
297.22281	1.5
299.20084	0.8
305.22675	0.6
307.20569	2.1
309.22034	1.0
309.84586	0.5
311.20099	1.2
313.21832	1.0
321.18964	0.6
321.22263	2.3
323.23682	1.6
325.21719	1.8
329.21634	0.6
333.22153	1.0
335.23587	3.1
339.23306	2.4
347.23639	0.9
349.25162	0.8
351.23254	1.4
353.24826	2.1
363.23001	0.7
365.24887	1.2
367.26389	0.7
373.25388	0.6
377.24832	0.7
379.26413	0.9
383.26208	0.7
405.31647	0.8
415.29932	8.1
423.32635	0.7
433.31088	21.7
451.32068	9.0
469.33359	3.8
471.32611	1.6
481.33493	0.7
489.33755	3.3
507.34781	15.6
525.35797	100.0
526.36145	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3716
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05504	1.1
56.05035	1.2
57.03435	1.0
57.06831	0.5
57.07081	4.8
58.06611	1.3
60.08167	17.3
67.05509	1.9
69.07067	1.0
70.58389	0.8
70.58749	0.8
71.07374	6.2
71.08630	3.0
78.57150	0.4
79.05497	0.7
80.73857	0.4
81.03423	4.0
81.07057	2.8
82.03739	0.9
83.08626	1.6
85.10200	2.1
86.09710	50.1
91.05475	0.6
93.07037	0.9
93.68439	0.4
95.04986	1.1
95.08605	2.4
98.98488	4.0
104.10750	100.0
104.56982	0.4
105.07030	0.9
109.10114	1.0
111.08074	0.8
119.08648	0.5
123.11683	0.6
125.00012	28.5
132.77394	0.3
147.11606	0.4
163.01567	0.7
165.12712	0.4
178.05904	0.4
184.07350	94.4
193.12308	1.6
194.12610	1.2
211.13342	0.5
215.99612	0.4
258.11139	1.1
267.15915	1.9
268.16330	1.1
273.92584	0.4
313.27429	1.3
314.24615	0.4
314.27640	1.9
341.30481	1.4
447.28772	0.5
463.31271	0.5
506.35733	8.9
524.37036	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.05515	17.4
55.19116	2.0
57.03442	12.9
57.07058	7.9
58.23327	1.9
59.04983	2.7
59.43879	1.8
61.04295	2.4
67.05508	100.0
69.07053	9.8
70.48471	2.7
70.48806	5.6
71.04980	4.9
71.08611	4.5
79.05489	25.7
81.03403	6.6
81.06593	2.6
81.07057	41.4
83.08624	10.6
85.02889	2.5
85.06501	3.2
85.10138	2.4
91.05468	17.9
93.07052	23.9
95.04961	3.7
95.08611	29.0
97.10156	3.5
105.07011	7.8
107.08600	14.0
109.10164	65.4
111.08055	3.8
111.62720	2.0
119.08571	11.0
121.10120	10.1
131.08510	3.6
133.10094	6.1
135.11696	8.7
145.10115	4.7
147.11687	4.1
149.13216	3.1
155.10666	6.0
159.11659	2.6
163.14735	2.7
173.11807	19.2
193.12257	3.5
211.13193	2.7
220.07385	2.1
227.12714	2.5
229.14354	73.5
243.20976	2.8
246.91484	2.9
261.22104	14.3
267.15909	2.9
314.27664	3.8
335.25812	73.1
336.99252	3.1
462.73126	2.3
489.35721	41.7
511.80307	2.2
524.40332	13.8
552.15338	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	525.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76942	0.7
53.03937	1.3
55.01868	2.0
55.05515	11.9
57.03431	2.9
57.07075	1.3
61.10694	0.7
65.03957	0.8
67.05507	20.8
69.07069	8.8
71.04977	1.4
71.54374	0.9
74.91234	0.6
79.05493	12.3
81.03417	1.3
81.07063	21.6
83.04978	2.1
83.08622	5.3
85.06560	1.3
91.05479	15.3
93.07048	12.0
95.04974	2.6
95.08609	12.4
97.06539	1.6
97.10175	3.9
99.08105	0.8
105.07040	12.8
107.08601	7.5
109.06519	0.9
109.10169	6.3
111.08116	1.1
115.05442	1.2
117.07024	9.1
119.08588	11.2
121.10151	5.0
123.11714	1.3
125.09635	1.5
128.06244	3.9
129.07013	13.5
130.07758	0.8
131.08586	11.9
133.10121	7.1
135.07994	1.1
135.11710	2.0
139.11176	0.7
141.06972	6.3
142.07797	3.3
143.08562	13.3
144.09392	0.8
145.10135	9.3
147.08112	1.2
147.11690	3.5
149.09636	1.0
149.13258	0.9
153.07005	2.2
154.07803	2.5
155.08562	15.4
156.09361	1.5
157.10135	10.8
159.08020	0.9
159.11710	5.3
161.13295	1.0
165.07056	2.9
166.07808	1.6
167.08563	8.4
168.09373	1.5
169.10124	16.8
171.11676	10.9
173.09705	1.0
173.13231	3.6
179.08539	3.5
180.09326	2.5
181.08546	1.0
181.10143	10.9
182.10921	1.3
183.11708	16.3
185.09685	0.9
185.13261	7.5
187.14798	1.0
192.09387	1.1
193.10168	4.4
193.11984	0.9
194.10834	1.1
195.11703	9.9
196.12480	0.9
197.13263	10.6
199.11201	0.8
199.14764	3.3
205.10236	1.2
207.11674	5.1
209.13269	9.4
211.14854	4.8
213.12817	0.7
213.14694	0.9
213.16513	1.6
219.11726	2.6
221.13208	4.8
223.14822	5.3
225.16479	1.5
227.16264	0.7
233.13251	1.6
235.14767	3.5
237.16431	2.3
239.17841	1.0
247.14745	1.5
249.16479	1.9
251.17963	1.6
259.20486	0.9
263.17960	1.2
265.19489	1.1
267.17371	0.9
277.19479	1.3
279.20969	1.0
281.18909	1.2
289.19400	1.0
293.18982	1.4
295.20584	1.5
297.18521	1.2
297.22034	0.8
299.19965	1.1
307.20746	1.9
309.22052	1.5
311.20203	1.2
313.21652	1.3
321.22165	2.8
323.23706	2.5
325.21701	1.8
327.23120	1.1
333.22018	1.2
335.23929	1.4
337.21558	1.2
337.25323	1.0
339.23227	1.5
347.23764	0.8
349.25485	1.2
351.23434	1.5
353.24939	1.8
367.26419	1.2
377.24625	0.9
391.26099	1.3
405.31787	1.6
415.29980	5.8
423.32968	0.8
427.28613	0.9
433.31107	19.7
451.32086	9.4
463.16751	0.9
469.32944	4.1
471.32712	1.5
481.33035	0.7
489.33679	3.1
507.27820	1.4
507.34705	15.4
525.35779	100.0
526.36255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01875	1.6
55.05511	11.1
57.03445	4.6
57.06794	1.4
57.07077	28.6
61.77920	0.8
63.86401	0.8
65.03937	1.1
66.98999	0.8
67.05507	20.7
69.03429	1.5
69.07064	9.2
70.77728	1.0
70.78054	1.7
71.04985	3.1
71.08633	21.0
76.49517	0.7
78.29221	0.7
79.05490	12.9
79.05920	1.2
81.03419	31.6
81.07059	25.9
83.04980	6.7
83.08621	18.0
85.02908	14.1
85.06532	1.8
85.10188	11.1
87.04465	1.0
91.05486	13.3
93.07034	8.2
94.21516	0.7
95.04969	11.8
95.08607	22.9
95.09175	1.5
97.02887	1.3
97.06544	2.3
97.10163	5.2
104.20119	0.7
105.07032	10.2
107.04967	2.5
107.08591	2.8
109.06513	2.7
109.10158	9.4
111.04453	1.2
111.08088	5.7
113.06025	1.8
117.07001	1.5
119.08588	7.7
121.06542	0.9
121.10159	5.2
123.08121	1.2
123.11739	4.4
125.13286	0.8
128.06227	0.7
129.07004	5.2
131.08569	3.7
133.06500	1.1
133.10118	3.7
137.13280	1.7
147.11702	5.7
149.09615	3.0
157.10147	6.2
165.12799	0.8
165.16457	1.1
175.11194	6.6
193.12245	26.6
194.46925	0.8
200.76527	0.8
211.13289	33.7
211.15308	1.6
221.22716	0.9
239.23688	5.9
249.15025	1.1
267.15906	7.2
285.17123	0.8
313.27441	5.5
505.38644	4.0
523.39948	100.0
524.39905	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.0
55.01862	2.8
55.05512	16.2
57.03439	18.0
57.07082	45.0
64.95993	2.2
67.05503	25.4
69.03453	2.2
69.07065	9.4
69.28963	20.9
71.08634	29.3
79.05484	15.0
81.03423	91.6
81.07058	20.9
81.84098	2.1
83.04974	5.5
83.08627	26.2
85.02892	3.4
85.10197	17.0
86.09695	3.8
86.68768	2.1
91.05486	19.6
93.07037	10.5
95.04981	23.4
95.08617	24.3
97.02907	3.5
97.06483	4.2
97.10147	7.5
103.05408	2.2
103.07617	3.0
105.07013	14.0
106.48965	2.1
106.88777	2.2
107.04958	3.4
107.08585	2.3
109.06519	4.8
109.10188	11.6
111.08057	7.5
119.08570	14.9
121.10140	7.6
123.08060	3.2
123.11674	5.4
129.06981	10.1
131.08592	10.6
133.10106	4.6
142.07784	4.6
147.11690	7.3
149.09695	4.4
157.10120	10.4
165.12843	3.0
175.11171	6.6
183.82562	2.0
184.07492	2.6
193.12241	48.4
203.32668	2.2
211.13361	8.8
239.23657	5.5
249.14877	4.0
267.15906	100.0
313.27380	98.4
505.38898	64.5
523.39941	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	523.4
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42059	0.5
53.03936	2.3
55.01866	0.9
55.05270	0.7
55.05515	10.2
57.03442	6.2
57.07078	30.8
65.03947	1.0
67.05507	22.4
69.03423	1.5
69.06721	0.8
69.07067	7.9
69.21217	5.0
70.73582	0.5
71.04998	2.9
71.08636	21.7
79.05498	11.6
79.79430	0.5
81.03419	28.9
81.07061	24.6
83.04983	5.8
83.08624	20.5
85.02911	16.4
85.06541	1.6
85.10188	11.2
91.05481	16.9
93.07047	8.6
95.04971	12.8
95.08609	23.0
97.02878	1.3
97.06534	1.3
97.10183	5.2
98.20771	0.9
99.08105	0.9
105.04541	0.5
105.07036	11.3
107.04945	2.3
107.08578	3.9
109.06513	2.3
109.09473	0.8
109.10165	9.6
111.04429	1.4
111.08085	4.2
111.11730	1.1
113.05997	1.2
117.07015	1.4
119.04964	0.5
119.08588	9.2
121.06515	0.8
121.10149	5.1
123.08077	1.6
123.11700	3.6
125.09621	0.6
125.13288	0.8
128.06285	0.7
129.07007	6.2
131.08589	5.0
133.06490	1.8
133.10143	4.5
137.09621	0.9
137.13242	1.4
142.07777	1.4
145.10107	1.3
146.53470	0.5
147.08112	1.7
147.11697	6.6
149.09645	3.2
151.11005	0.5
157.10139	6.5
165.12814	1.3
165.16449	0.8
175.11189	7.8
193.10457	1.0
193.12253	29.0
211.13301	29.7
218.16165	0.6
239.23700	5.3
249.14740	1.0
267.15945	8.6
285.16620	0.7
313.27374	12.3
313.30695	0.9
349.52658	0.6
505.38925	7.3
523.39966	100.0
524.40527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
54.20317	0.7
55.01871	1.2
55.05515	9.6
57.03444	5.0
57.07082	27.5
67.05509	19.6
69.03432	1.6
69.07075	6.6
71.04988	2.5
71.08640	17.5
79.05498	9.8
81.03426	28.7
81.07064	23.0
83.04983	3.9
83.08623	15.2
85.02917	14.1
85.06576	1.4
85.10188	9.0
85.10680	1.1
91.05492	12.7
93.07056	6.2
95.04973	11.8
95.08610	20.5
97.02901	1.5
97.06548	1.2
97.10181	4.6
105.07037	7.6
107.04955	2.1
107.08590	2.8
109.06544	1.9
109.10164	10.3
111.04465	1.3
111.08102	3.3
111.11721	1.2
119.08573	7.6
120.32388	0.8
121.10137	3.9
123.08031	1.0
123.11737	2.8
129.07056	4.8
131.08560	4.3
133.06454	1.3
133.10150	3.6
137.09674	1.2
137.13312	1.5
142.07794	1.3
147.11700	5.1
149.09641	3.1
157.10124	8.4
165.12764	1.3
175.11203	6.2
193.12259	25.3
211.13307	30.6
211.15312	1.6
239.23698	5.3
249.14742	1.1
267.15939	8.8
313.27469	7.0
425.87024	0.9
503.34888	0.8
505.38736	4.7
523.39990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.05513	12.4
57.03440	19.7
57.07078	44.4
67.05511	23.0
69.07071	13.7
71.08636	35.7
75.78246	1.8
79.05489	12.6
81.03420	98.8
81.07055	30.4
83.04971	5.9
83.08624	30.1
85.02919	3.4
85.10194	14.3
89.06007	2.9
91.05492	16.9
93.07042	7.2
94.05138	1.9
95.04963	20.4
95.08617	23.1
97.10159	6.2
98.20750	7.3
103.07542	2.1
105.07030	15.6
107.04916	5.7
107.08608	6.7
109.06521	2.7
109.10187	10.4
111.08086	7.0
111.11722	1.9
111.49325	1.7
114.41182	1.9
115.05527	2.0
119.08591	11.9
121.06543	2.3
121.10153	6.1
123.11718	4.0
129.07011	6.7
131.08577	8.8
133.06493	3.6
133.10110	4.4
137.09630	3.1
142.07767	2.1
147.07994	3.2
147.11705	6.8
149.09607	4.6
151.20665	2.2
157.10135	7.5
175.11188	7.6
193.12244	44.6
211.13245	6.6
239.23750	6.9
249.14964	4.4
267.15927	100.0
272.53210	2.4
313.27368	98.7
423.13596	2.4
433.01822	2.1
505.38892	62.9
523.40063	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
55.05516	20.1
56.11992	2.1
57.03444	16.3
57.07081	53.6
59.49485	2.3
62.31730	1.7
65.67294	2.0
66.33183	2.0
67.05511	28.5
69.03435	3.0
69.07072	14.1
69.46519	13.0
71.04986	5.0
71.08640	39.5
74.57813	2.1
76.18082	2.1
79.05490	14.3
81.03422	74.5
81.07065	37.9
83.04971	8.9
83.08620	28.4
85.02894	14.2
85.10194	17.1
89.06024	3.0
90.76209	2.1
91.05480	22.0
93.07047	12.9
95.04971	23.6
95.08607	35.3
97.02888	2.9
97.06551	4.4
97.10184	7.1
98.20702	1.9
105.07040	19.3
107.04970	5.3
107.08599	3.9
109.06564	4.3
109.10166	16.7
111.08091	7.0
119.08599	15.9
121.10132	4.9
123.08141	2.5
123.11691	7.9
129.06998	11.1
131.08591	10.5
133.06523	2.8
133.10107	4.9
139.00291	2.2
142.07846	2.7
145.10211	2.5
147.08047	4.4
147.11707	10.9
149.09645	7.5
151.14922	2.2
157.10173	9.5
175.11194	13.4
193.12271	43.1
193.13904	3.5
211.13307	38.0
239.23769	8.5
249.14783	4.3
250.24210	2.2
267.15936	57.8
267.18610	3.9
313.27380	59.3
463.12302	2.6
505.38828	38.0
523.40015	100.0
523.60272	2.6
543.95117	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34436	0.6
53.03933	2.3
55.01864	1.4
55.05275	0.7
55.05516	11.5
56.69825	0.5
57.03443	6.2
57.07079	32.6
59.04998	0.6
59.34191	0.6
62.61131	0.8
65.03938	1.3
67.05507	20.2
69.03417	2.8
69.07072	9.2
70.07767	2.4
71.04998	3.7
71.08634	21.3
79.05495	11.3
79.18599	0.6
81.03422	33.8
81.07056	26.9
83.04986	6.5
83.08621	21.1
85.02911	18.5
85.06528	1.7
85.10184	9.8
88.62439	0.6
91.05482	17.0
93.07046	8.4
95.04977	14.3
95.08607	23.1
97.02881	1.3
97.06520	1.1
97.10183	5.9
98.20844	0.9
99.11767	0.6
105.07027	11.8
106.90000	0.6
107.04971	2.9
107.08590	2.5
109.06557	1.6
109.10164	8.8
111.04449	1.4
111.08084	5.0
111.11723	1.0
112.12970	0.6
113.06020	1.2
115.05480	0.8
119.04956	0.7
119.08591	9.4
121.06513	1.0
121.10165	4.6
123.08069	1.2
123.11734	3.8
125.13289	1.0
129.07031	5.2
131.08580	4.7
133.06453	1.0
133.10129	4.4
137.09619	1.0
137.13272	1.6
142.07768	1.4
145.10168	1.6
147.08006	0.9
147.11691	7.1
148.66362	0.6
149.09644	1.9
157.10123	6.3
165.12756	1.8
166.96428	0.6
175.11183	8.6
186.69095	0.7
188.74599	0.6
189.12430	0.6
193.12242	29.4
211.13301	35.1
239.23714	5.3
249.14925	0.6
267.15897	7.9
313.27380	6.5
505.39023	4.1
523.39960	100.0
524.40204	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03191	2.8
55.05505	13.9
57.07074	6.4
60.56127	2.9
67.05506	21.0
69.07072	100.0
69.96516	6.4
69.96931	10.5
79.05500	7.2
81.03429	3.9
81.07059	59.3
83.04984	3.0
83.08619	12.8
85.02901	7.0
85.06551	8.5
87.49510	3.3
91.05469	7.4
93.07056	26.8
95.04941	4.3
95.08619	46.7
97.06544	6.9
97.10184	4.5
99.08090	8.4
102.18549	2.9
105.07039	14.5
107.08603	23.6
109.10160	30.5
111.08087	4.4
111.11713	21.6
119.08577	13.6
121.10165	23.7
123.11716	40.4
127.11213	5.2
133.10112	7.2
135.11687	11.6
137.13252	11.0
139.11197	23.4
147.11700	10.2
149.13268	18.7
151.11208	3.8
151.14827	5.8
153.12799	3.7
157.12288	3.7
159.11722	3.6
161.13264	8.1
163.14906	6.2
165.12730	8.1
167.14307	5.3
175.14784	4.0
179.14278	5.0
201.16438	3.9
203.17978	10.4
204.18300	13.1
271.24194	6.2
277.25378	12.0
289.25336	23.0
295.26303	28.7
307.26318	84.7
325.27429	15.6
346.28055	3.5
354.39880	3.2
442.14075	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	523.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.05518	21.6
57.03435	2.4
57.07071	9.3
59.05014	3.0
67.05507	30.3
69.03431	3.5
69.07069	49.2
71.04996	6.0
71.08625	2.7
71.39220	4.7
79.05489	23.0
81.06591	5.0
81.07059	100.0
83.04964	4.2
83.08628	15.1
85.02892	4.1
85.06544	12.3
91.05476	14.3
93.07053	46.3
95.04990	8.1
95.08607	77.7
96.52024	2.2
97.06544	6.5
97.10173	10.5
99.08112	12.1
105.07038	12.8
107.08600	32.9
107.38701	2.4
109.06515	4.9
109.10162	49.6
111.08083	6.3
111.11703	9.9
116.97957	2.3
117.06956	2.3
119.08581	11.3
121.10158	31.7
123.08057	3.3
123.11712	34.8
125.09641	3.5
125.13142	2.1
127.11201	4.9
131.08597	4.8
131.60962	2.1
133.10150	9.6
135.11707	22.1
137.13264	14.4
139.11194	6.9
141.12698	3.0
145.10130	5.7
147.11708	13.0
149.13263	26.9
151.14879	4.4
153.12752	7.3
157.12219	2.9
159.11696	7.7
161.13286	8.6
163.11145	2.8
163.14868	10.4
165.12735	3.3
173.13242	3.2
175.14780	6.2
177.16376	5.1
181.12154	2.4
189.16353	3.2
191.60629	2.2
203.17841	2.4
233.19019	2.7
239.87352	2.1
247.40654	2.2
251.20102	2.4
271.24258	6.0
277.25235	3.6
289.25299	24.3
295.26331	18.4
307.26306	47.5
325.27353	21.4
523.21429	11.3
523.28729	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	523.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96532	0.9
69.03419	2.1
69.07745	0.5
69.89254	2.5
74.25919	0.5
79.82108	0.5
85.02892	2.1
97.02892	5.0
98.97578	1.1
99.04451	0.7
113.02393	1.2
116.93204	0.7
117.05769	1.2
119.04941	1.0
120.04423	0.7
124.03933	1.0
127.03943	0.6
130.06532	13.3
130.07491	0.8
132.04463	1.9
132.06837	1.5
132.07973	0.6
133.07507	0.5
135.04439	0.5
139.03893	1.4
140.00108	0.5
142.06532	0.8
144.08022	0.8
145.07594	1.6
146.06010	6.4
147.04414	3.4
152.03471	0.7
156.06863	3.7
156.08055	0.9
157.07617	9.1
158.06023	5.7
159.05530	0.8
163.03940	2.2
168.08115	1.0
169.07635	1.3
174.05484	0.9
175.08688	2.0
181.07639	1.4
182.08383	1.2
183.09215	0.8
184.06267	1.8
185.07121	3.2
195.09259	0.9
198.07870	5.3
199.08678	5.1
202.07396	3.4
203.08139	5.4
206.08380	1.4
207.09131	3.2
209.10742	1.9
211.08716	1.4
219.09190	1.1
220.48860	0.6
225.10214	1.1
226.07404	5.2
227.08163	7.0
229.09773	1.7
235.08649	5.8
236.09415	1.4
237.10236	1.9
239.08131	0.8
251.08119	2.1
253.09773	3.3
255.11490	0.9
263.08322	1.0
269.09213	1.2
271.10706	1.0
279.07617	1.3
281.09323	1.5
297.08698	4.3
298.09476	1.5
299.10294	10.2
307.07523	0.7
315.09641	1.7
343.09253	100.0
344.09366	1.0
349.08148	0.7
361.10291	5.4
429.29016	0.5
505.13193	0.8
523.14893	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	523.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
53.09612	1.6
55.01861	1.9
55.05511	15.9
57.03432	2.4
57.03713	1.6
57.07078	10.4
58.15115	1.8
59.05006	2.9
63.12043	1.6
67.05185	2.1
67.05514	27.8
69.03412	4.8
69.07076	38.2
69.96316	6.9
70.06593	1.7
71.04989	5.0
71.08636	2.7
79.05507	17.1
81.03390	2.3
81.07062	100.0
82.19298	1.9
82.39117	1.6
83.04958	4.8
83.08623	17.4
85.02888	6.9
85.06555	25.9
87.04475	2.2
91.05486	12.9
93.07053	63.5
95.04954	8.8
95.08614	72.3
97.02886	2.3
97.06523	6.2
97.10184	8.4
99.08083	7.2
105.07037	21.7
107.08604	42.0
108.23543	1.7
109.06522	5.2
109.10163	49.7
111.08092	11.6
111.11710	5.3
119.08601	17.8
121.06524	2.8
121.10152	36.7
123.04501	2.0
123.08056	4.3
123.11728	36.0
125.09634	5.8
125.13268	1.8
131.08588	4.8
133.10146	18.6
135.08066	1.8
135.11700	26.9
135.19516	1.7
137.05968	2.1
137.09628	5.4
137.13264	21.2
139.03905	2.4
139.11174	6.3
141.12733	2.0
145.10133	11.5
147.11711	11.7
149.13248	20.3
151.11188	12.1
151.14761	3.7
153.12735	6.0
155.10670	5.3
159.11670	9.3
161.13242	12.6
163.11183	6.9
163.14856	8.4
164.89249	1.6
165.12767	3.0
169.12247	5.1
171.13815	2.1
173.13263	4.5
175.14807	6.5
177.16376	6.0
181.12234	10.9
187.14833	3.6
189.16385	3.7
191.17944	4.1
199.13289	4.3
201.16400	2.2
203.17844	3.7
204.18277	1.9
209.19093	2.1
213.61284	1.5
215.17941	6.5
245.22601	2.1
251.20007	1.9
257.98853	2.3
263.23581	1.9
271.24188	13.0
277.25217	5.9
289.25311	26.0
295.26294	7.4
307.26334	36.7
313.27612	1.9
325.27301	12.5
343.28564	6.4
348.51825	1.6
361.29047	1.8
479.22516	1.7
499.43475	2.0
523.21582	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	522.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48363	2.6
55.05504	8.1
55.59969	2.6
55.93939	2.8
57.07065	2.9
61.02926	4.1
67.05492	9.8
69.03434	6.7
69.07066	13.9
71.04996	18.3
71.54762	4.8
79.05500	22.8
81.03427	5.9
81.07058	100.0
83.08641	5.7
85.02903	17.0
87.00820	11.6
91.05473	11.5
93.07044	43.2
95.08622	24.4
97.02876	9.0
97.06519	3.0
97.10163	4.1
99.04386	3.3
99.08122	5.0
100.34946	2.7
105.01878	20.2
105.07031	51.6
107.07980	4.3
107.08603	51.1
109.10173	44.2
119.08589	93.3
121.10131	10.5
123.11723	17.9
127.03933	7.6
127.11192	31.6
133.10129	44.0
135.11693	99.7
143.10664	14.9
145.04959	5.1
145.10133	3.6
147.11684	29.9
149.13269	7.4
153.12758	9.3
161.13289	13.5
163.14813	6.7
175.14717	3.7
177.16338	3.0
203.17963	93.1
221.19023	89.2
231.04958	5.4
238.08696	2.7
241.68034	2.7
249.06068	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	522.3557
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05503	2.4
56.05037	1.3
57.07072	1.1
58.06613	1.7
60.08165	17.8
67.05499	3.7
68.50684	0.7
69.07071	4.5
71.04978	0.6
71.07037	0.6
71.07385	5.5
71.08633	0.6
71.54205	0.7
78.79330	0.7
79.05499	1.3
80.12311	0.5
81.03408	1.0
81.07069	3.7
81.96385	0.6
83.08636	2.2
86.09709	52.8
93.07025	2.3
95.04955	0.6
95.08614	2.5
97.10161	1.2
98.98479	3.0
104.10748	100.0
105.07066	0.7
107.08576	1.3
107.33974	0.5
109.10165	1.8
121.10143	1.5
123.11736	0.6
125.00008	30.9
135.11725	1.4
135.89514	0.6
147.11702	0.8
149.13280	1.0
184.07347	99.3
195.05522	0.6
248.85852	0.7
251.23659	1.0
258.10950	0.7
325.27487	0.8
339.28833	1.0
481.14700	0.9
504.34378	8.4
522.35468	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18787	0.2
55.05516	0.8
56.05033	0.4
57.03456	0.3
57.05112	0.2
57.07073	0.3
58.06606	0.4
59.07401	0.3
60.08168	5.3
67.05510	1.2
69.07079	1.2
71.07378	2.6
71.53470	0.3
79.05502	0.7
81.03424	0.6
81.07060	1.3
83.08627	0.8
85.02898	0.3
86.09711	29.1
91.05484	0.4
92.05835	0.4
93.07052	0.7
95.08617	0.9
97.10193	0.3
98.98468	2.7
104.10751	2.5
105.07038	0.4
107.08610	0.5
109.10150	0.3
119.08607	0.2
121.10156	0.5
122.73721	0.2
125.00013	20.7
133.10175	0.3
141.56796	0.2
151.57751	0.2
184.07353	100.0
193.12204	0.3
194.12566	0.3
211.13152	0.4
212.13539	0.4
225.73201	0.2
226.98201	0.2
258.10928	0.3
268.16394	0.3
339.28946	0.3
504.34390	1.5
508.06976	0.2
522.35419	2.8
538.05865	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	521.3325
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.05520	22.4
57.03445	4.7
57.07074	5.4
67.05513	29.2
69.07066	35.5
71.04987	4.5
79.05488	29.3
81.03408	4.4
81.07061	86.9
83.08613	16.6
85.02890	7.5
91.05475	24.7
93.07047	63.6
95.04964	7.5
95.08063	6.8
95.08617	85.1
97.02896	4.3
97.06549	11.1
97.10164	16.3
105.07033	33.1
107.04925	4.3
107.08598	53.4
109.10155	60.9
111.08098	14.6
111.11706	7.5
119.08588	33.5
121.10150	45.9
123.08069	4.6
123.11717	31.2
125.09612	13.6
131.08516	9.3
133.10127	17.6
135.10733	4.8
135.11659	25.9
137.09616	7.4
137.13258	6.9
139.11255	4.7
143.08434	4.6
145.10120	10.0
147.11711	26.1
149.13275	58.8
151.11226	5.4
154.43036	5.2
159.11679	9.2
161.13257	11.7
163.14865	9.9
165.12744	5.4
173.13330	6.0
175.14864	8.5
177.16393	12.0
181.12242	5.6
187.14787	6.3
189.16391	11.7
192.98410	4.3
195.17455	5.2
205.66534	4.5
234.39365	4.5
259.24219	8.7
261.22272	4.2
269.22751	9.6
275.23645	6.3
277.25320	20.6
287.23752	8.6
293.24731	35.5
296.93591	4.8
305.24777	100.0
323.25818	30.6
347.84488	4.3
521.27161	8.9
521.40460	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	521.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
53.88992	0.8
55.01874	1.4
55.05513	23.5
57.03444	5.1
57.07083	6.2
65.03976	1.4
66.03052	0.9
67.05511	29.4
69.03430	2.8
69.07072	23.1
69.15783	5.8
69.16211	3.5
71.04995	3.5
71.08633	2.1
79.05497	18.8
81.02938	1.1
81.03421	32.6
81.07061	35.1
83.04993	5.9
83.08625	23.0
85.02911	18.1
85.06548	2.0
85.10176	1.5
85.74474	0.8
91.05489	14.3
93.07049	16.5
95.04977	14.0
95.08612	22.3
97.02889	1.8
97.06554	3.3
97.10174	10.0
105.07040	11.3
107.04980	2.7
107.08604	11.2
109.06549	2.2
109.10149	7.8
111.04373	1.1
111.08075	5.3
111.11726	2.7
113.06057	1.8
113.09637	1.1
117.07030	1.5
119.08597	9.7
121.10152	12.5
121.62818	0.9
123.11737	3.4
125.09646	1.2
129.07005	4.6
131.08580	6.3
133.06525	1.4
133.10130	6.0
135.11711	8.3
137.13264	2.5
142.07787	1.3
145.10149	2.5
147.08051	2.4
147.11684	7.8
149.09622	3.0
149.13254	2.3
153.12759	1.5
157.10139	7.2
165.12811	1.1
172.95297	1.2
175.11195	7.1
193.12248	26.1
209.11787	1.3
211.13297	35.2
219.21130	2.3
236.01030	0.9
237.22133	5.7
267.15964	8.0
275.19946	1.1
285.17068	1.8
311.25848	6.1
429.34109	2.3
503.37408	7.3
521.38428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33312	1.4
53.03938	4.8
55.01853	4.1
55.05518	38.6
57.03443	16.6
57.07079	20.4
57.35810	1.5
64.26578	1.5
65.03935	1.6
67.05190	1.7
67.05510	26.6
69.03416	3.5
69.07075	38.0
71.04976	3.5
71.08637	14.6
79.05503	23.7
81.03423	72.0
81.06606	2.1
81.07065	36.0
81.46641	1.5
83.04990	7.2
83.08629	46.4
85.02900	3.0
85.06548	2.0
85.10156	5.7
91.05492	26.6
93.07059	22.0
95.04465	1.6
95.04982	21.4
95.08606	21.9
97.02866	3.1
97.06565	7.3
97.10181	25.5
105.07040	17.1
107.04932	6.7
107.08629	12.8
109.06511	2.7
109.10126	6.2
110.31160	1.4
111.04430	2.8
111.08086	7.5
111.11728	8.7
113.05959	2.2
117.07005	4.4
119.07781	1.8
119.08600	17.2
121.06518	2.2
121.10140	12.7
123.04369	1.5
123.08073	1.6
123.11684	6.3
125.09621	1.8
125.13289	1.6
129.07022	11.9
131.08571	9.2
133.06444	2.8
133.10158	6.6
135.11694	10.4
137.13245	2.0
142.07707	1.5
145.10155	8.0
147.08040	3.9
147.11696	12.5
149.09602	4.0
149.13239	2.3
157.10144	8.5
163.11195	7.7
163.73573	1.4
165.12717	3.8
175.11214	9.6
181.12199	3.0
191.10710	1.6
193.12262	40.9
209.11710	6.1
209.98393	1.5
211.13274	12.7
219.20935	1.6
227.12805	13.5
229.14436	1.5
237.22078	5.9
239.23756	2.4
249.14758	2.2
267.15939	100.0
311.22202	2.7
311.25815	56.8
429.33493	3.3
503.30588	2.3
503.37384	24.2
521.38171	61.5
524.43713	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.05508	16.3
56.13617	3.2
57.03422	3.1
57.07091	3.5
58.20351	2.8
59.05011	5.1
61.68822	2.9
67.05500	40.4
69.03423	10.9
69.07069	29.1
69.54712	17.8
71.04984	14.0
79.05482	32.1
81.03413	4.6
81.06590	6.0
81.07056	100.0
82.07381	10.0
83.04993	3.8
83.08622	21.5
85.02902	12.1
85.06557	7.2
91.05482	25.3
92.05803	3.7
93.07040	66.8
94.07365	8.2
94.74902	2.8
95.04970	10.2
95.08617	63.2
96.08924	5.7
97.02921	7.0
97.06522	9.2
97.10181	6.8
103.05478	2.7
103.46310	3.2
105.01880	3.3
105.07031	31.6
105.13634	3.2
106.07368	5.8
107.04956	4.1
107.08607	48.4
108.08921	8.4
109.06539	5.9
109.10156	72.9
110.10522	10.2
111.08065	9.9
111.11704	5.5
117.06986	5.2
119.08596	30.0
120.08929	9.1
121.06486	7.3
121.10147	61.6
122.10452	6.3
123.08117	3.9
123.11718	41.4
125.09595	5.2
127.03920	4.4
131.08588	6.0
133.10156	17.8
134.10558	4.4
135.11691	37.9
136.12030	4.4
137.05989	4.0
137.09622	29.6
137.13223	5.1
138.09964	11.7
139.11134	6.2
145.10095	15.5
147.04466	4.0
147.11690	18.0
148.12029	9.3
149.09621	4.8
149.13304	15.4
151.11171	8.8
153.12752	7.6
155.10660	16.8
156.11041	10.0
158.31898	3.6
159.11678	11.1
160.12054	6.5
161.06009	4.2
161.13232	14.6
162.13577	5.6
163.11121	18.5
163.14859	4.1
164.11543	8.2
165.12721	6.5
173.13274	5.0
177.12816	4.2
177.16396	3.6
181.12245	10.1
187.13313	4.3
187.14891	4.5
193.15973	3.3
195.13722	6.0
201.16420	7.0
202.16716	5.9
219.17450	29.7
220.17816	30.2
273.11185	7.0
275.23798	3.9
287.23666	13.9
293.24792	7.6
305.24747	38.7
323.23169	2.8
323.25879	32.2
521.27258	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	521.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.05508	16.3
56.13617	3.2
57.03422	3.1
57.07091	3.5
58.20351	2.8
59.05011	5.1
61.68822	2.9
67.05500	40.4
69.03423	10.9
69.07069	29.1
69.54712	17.8
71.04984	14.0
79.05482	32.1
81.03413	4.6
81.06590	6.0
81.07056	100.0
82.07381	10.0
83.04993	3.8
83.08622	21.5
85.02902	12.1
85.06557	7.2
91.05482	25.3
92.05803	3.7
93.07040	66.8
94.07365	8.2
94.74902	2.8
95.04970	10.2
95.08617	63.2
96.08924	5.7
97.02921	7.0
97.06522	9.2
97.10181	6.8
103.05478	2.7
103.46310	3.2
105.01880	3.3
105.07031	31.6
105.13634	3.2
106.07368	5.8
107.04956	4.1
107.08607	48.4
108.08921	8.4
109.06539	5.9
109.10156	72.9
110.10522	10.2
111.08065	9.9
111.11704	5.5
117.06986	5.2
119.08596	30.0
120.08929	9.1
121.06486	7.3
121.10147	61.6
122.10452	6.3
123.08117	3.9
123.11718	41.4
125.09595	5.2
127.03920	4.4
131.08588	6.0
133.10156	17.8
134.10558	4.4
135.11691	37.9
136.12030	4.4
137.05989	4.0
137.09622	29.6
137.13223	5.1
138.09964	11.7
139.11134	6.2
145.10095	15.5
147.04466	4.0
147.11690	18.0
148.12029	9.3
149.09621	4.8
149.13304	15.4
151.11171	8.8
153.12752	7.6
155.10660	16.8
156.11041	10.0
158.31898	3.6
159.11678	11.1
160.12054	6.5
161.06009	4.2
161.13232	14.6
162.13577	5.6
163.11121	18.5
163.14859	4.1
164.11543	8.2
165.12721	6.5
173.13274	5.0
177.12816	4.2
177.16396	3.6
181.12245	10.1
187.13313	4.3
187.14891	4.5
193.15973	3.3
195.13722	6.0
201.16420	7.0
202.16716	5.9
219.17450	29.7
220.17816	30.2
273.11185	7.0
275.23798	3.9
287.23666	13.9
293.24792	7.6
305.24747	38.7
323.23169	2.8
323.25879	32.2
521.27258	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	520.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86241	4.1
55.05509	4.5
58.82140	3.1
67.05489	9.8
69.07065	11.3
76.89764	3.0
81.07062	16.5
83.08624	5.2
93.07056	7.5
95.08617	21.6
97.10178	3.0
105.07042	6.5
105.43018	3.0
107.08613	18.0
109.10158	26.7
119.08602	9.5
121.10143	18.1
123.11712	11.7
124.55589	2.8
125.09651	12.9
131.08556	4.4
133.10126	12.0
135.11667	7.4
137.13269	7.6
145.10121	5.1
147.11667	5.7
149.13249	8.5
153.09030	3.6
159.11742	6.1
161.13263	7.2
163.14850	7.7
171.10173	100.0
171.11673	5.1
175.14886	6.4
177.02014	3.1
201.16406	3.6
205.19510	16.9
221.15440	3.9
234.10916	3.9
360.76770	3.4
369.31415	3.4
421.46472	3.9
439.35666	7.2
457.36835	25.8
460.22507	3.8
475.37820	25.6
520.23981	9.2
520.36261	5.2
520.43658	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	521.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
65.96693	0.9
68.38441	0.9
69.28806	9.4
86.68711	1.1
91.05512	1.6
94.50568	1.1
98.20779	2.0
98.97579	1.7
115.05425	1.2
118.06551	18.1
119.04910	1.5
130.06512	1.5
132.08099	5.0
139.03920	1.5
142.06563	1.2
143.07321	1.9
144.08098	11.4
145.80348	1.1
146.06027	50.5
147.04424	3.8
159.09215	5.0
163.03870	1.5
170.06024	4.3
188.07086	100.0
205.09753	46.5
211.67029	1.0
299.06537	1.3
304.03400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92033	1.3
53.03939	4.1
55.01863	2.1
55.05516	15.8
57.03419	1.9
57.07084	1.7
59.04996	4.7
61.63219	1.3
65.03928	2.5
67.05509	20.3
67.35612	1.5
69.03442	6.7
69.07066	20.3
71.04985	4.1
72.41875	1.3
73.02892	1.8
79.05500	25.7
81.03445	3.1
81.07062	86.7
83.05000	2.8
83.08626	26.0
85.02893	6.0
85.06523	2.5
87.00830	3.2
90.81340	1.5
91.05478	20.6
92.45118	1.5
93.07051	50.7
95.04967	4.8
95.08612	40.6
97.02909	3.3
97.06542	15.1
97.10189	2.1
98.21506	3.9
105.01865	5.7
105.07043	27.8
107.08605	33.0
109.02877	2.5
109.06507	6.8
109.10166	48.4
111.08089	14.2
113.09612	2.5
117.07013	4.2
119.08593	35.6
121.10149	25.6
123.08067	7.1
123.11717	7.3
125.09611	3.7
127.03883	5.3
127.11176	2.2
131.08578	7.1
133.10147	17.3
135.08060	2.4
135.11697	20.6
137.09624	66.3
138.10406	7.0
139.11166	1.6
143.10669	1.9
145.04964	2.3
145.10139	17.7
147.11691	31.3
149.09578	4.2
149.13249	5.0
151.11186	7.4
155.10674	38.1
159.11702	19.2
161.13278	31.3
163.11195	27.3
165.12744	3.9
173.13261	3.1
175.14854	3.3
177.12708	6.3
177.16386	2.8
179.14253	8.8
191.18016	7.1
201.16376	23.8
202.04092	1.4
219.17456	100.0
231.04962	2.1
237.18533	5.2
316.76581	1.3
520.26178	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	520.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.2
56.05042	0.7
57.51772	0.1
58.06641	0.5
59.07382	0.2
60.08167	5.9
67.05498	0.6
69.07074	0.3
70.35074	0.2
70.35444	0.2
71.06988	0.1
71.07378	2.6
79.05495	0.2
81.07064	0.5
83.08628	0.1
86.09711	29.7
93.07047	0.3
95.08634	0.4
98.98468	2.5
98.99120	0.1
104.10754	3.0
107.08582	0.1
109.10149	0.1
125.00012	20.6
147.30704	0.1
161.10233	0.1
166.02658	0.1
184.07350	100.0
185.07724	0.2
188.26294	0.1
203.69395	0.1
221.71187	0.1
258.11096	0.2
275.54443	0.1
337.27151	0.1
434.90561	0.1
502.32983	0.9
520.34027	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	520.34
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05515	1.2
56.05023	1.5
56.96579	0.3
57.03431	0.5
58.06566	1.2
59.07392	0.4
60.08163	18.3
60.41182	0.2
62.88501	0.2
67.05505	3.0
69.07069	1.7
71.07375	6.2
79.05477	1.0
81.07056	3.2
83.08604	0.5
86.09705	51.6
91.05473	0.9
93.07016	1.1
95.08608	2.0
98.98460	4.0
104.10742	100.0
105.07020	0.7
105.11092	0.3
107.08598	0.6
109.10159	0.7
119.08566	0.4
121.10159	0.3
125.00004	29.8
133.10143	0.3
163.01582	0.8
184.07336	93.2
258.11029	1.2
337.27390	0.8
344.64761	0.3
364.14554	0.2
443.25369	0.4
449.57443	0.3
502.32910	8.6
520.33978	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	520.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24866	0.7
52.60735	0.7
53.03953	1.9
55.01871	2.2
57.03432	3.0
57.07078	1.1
60.60720	0.7
61.02925	4.2
67.05515	4.0
69.03094	1.0
69.03442	16.8
70.06586	0.9
70.41147	3.1
71.01360	0.9
71.05007	4.8
73.02915	3.1
79.05515	4.8
81.03432	9.8
81.07042	1.9
83.04977	1.8
85.02917	47.1
85.06554	27.2
87.04482	11.7
91.03965	2.5
91.05489	3.5
91.87878	1.0
93.07059	5.7
95.08561	0.8
97.02905	14.0
98.97581	0.8
99.04452	2.6
99.08115	1.5
101.02404	1.3
105.07043	5.8
107.04979	2.2
107.08604	6.4
109.02888	8.6
109.06509	1.1
111.04443	2.5
115.03945	37.9
119.08605	5.3
121.06543	3.7
121.10155	5.6
123.04441	1.3
125.05977	1.7
127.03938	24.6
129.07036	2.2
131.08583	17.6
133.04988	9.2
133.10155	1.2
135.11754	1.5
137.09630	2.2
138.30141	0.7
143.07066	1.1
145.04973	20.8
145.10143	8.8
147.08009	1.0
149.06015	1.3
149.09637	16.3
151.03886	1.7
152.04321	1.0
155.06976	0.9
157.05031	1.3
159.11765	0.8
163.06136	4.0
163.07422	1.0
163.11182	6.5
165.09134	3.6
167.10683	9.9
173.09648	1.8
183.02835	1.0
191.10689	25.2
209.11757	38.7
219.10181	1.5
219.17465	2.6
219.67751	0.9
220.10501	1.2
227.12807	100.0
237.18546	1.2
241.07028	1.5
259.08197	5.3
277.09235	9.1
388.15521	0.9
467.18274	1.1
505.89551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01865	1.1
55.05508	1.0
57.03418	0.8
65.03915	0.4
67.05503	1.8
68.04185	0.5
69.03445	2.2
69.07071	3.2
70.06589	1.5
70.79339	1.1
71.05006	4.7
74.01427	0.4
79.05506	8.3
81.03424	1.1
81.07053	1.7
83.04987	1.5
85.02911	4.1
87.04480	0.6
91.05481	6.1
93.07049	8.0
95.04955	1.2
95.08594	1.5
96.94537	0.5
97.02893	1.5
97.06543	1.5
99.04433	0.5
105.01886	0.5
105.07042	8.1
107.04966	2.9
107.08604	11.8
108.04538	0.5
109.06493	0.6
110.99257	0.4
111.04434	0.8
111.93203	0.5
115.03941	2.4
117.07034	1.9
119.08594	2.4
121.06522	11.1
121.10149	5.5
123.04452	0.6
123.08076	0.7
125.05998	1.7
125.09636	0.6
127.03902	1.7
129.07030	1.1
130.05043	0.5
130.07768	0.8
131.08583	56.8
133.04961	0.9
133.10130	1.0
135.04396	0.5
135.08049	0.9
135.11708	0.8
137.05969	1.4
139.07527	0.5
141.05447	0.6
143.08598	0.7
145.04941	1.4
145.06076	1.1
145.10141	13.3
147.04359	0.4
147.08061	1.5
147.11696	1.7
149.06042	1.0
149.09642	21.4
151.03751	0.5
151.07523	0.5
153.05542	2.7
154.43102	0.4
155.07097	0.5
159.11668	1.6
161.13252	1.2
163.11217	7.4
165.09103	2.3
167.07031	1.3
167.10703	1.2
173.09650	1.4
173.13258	0.5
177.03279	0.7
186.07565	0.4
191.10689	18.3
201.16426	2.1
209.11752	100.0
210.12106	0.6
219.17455	2.5
229.73959	0.4
237.18401	0.4
277.09195	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2936
Annotation	Segetalin G
Peak:m/z	Relative Intensity
50.03072	0.7
50.03292	0.7
55.05505	1.6
67.05501	3.9
69.07057	1.6
79.05486	2.2
81.03391	0.8
81.07030	4.3
85.02904	1.8
91.05489	1.6
93.07047	3.3
95.04967	2.1
95.08604	2.5
105.07002	1.5
107.08601	1.3
109.06550	1.1
109.10168	1.8
119.08589	1.6
121.10151	1.4
129.06992	0.8
132.50362	0.8
133.10110	0.7
147.11697	0.8
149.88823	0.7
167.05640	0.8
177.05502	1.7
195.52371	1.0
234.53880	0.7
235.13132	3.5
251.12578	3.3
273.18573	1.1
291.15692	3.4
307.15118	1.8
399.06552	0.9
429.17978	0.8
519.29309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
53.50348	1.3
55.01870	5.5
55.05517	1.9
57.03442	16.8
59.05007	2.5
59.51480	1.4
61.02927	6.4
68.99786	1.8
69.03435	76.0
69.39473	12.4
71.04993	4.8
73.02917	6.2
74.56506	1.5
77.51906	1.5
77.59869	1.5
79.05495	2.8
81.03425	26.1
81.03880	2.8
83.01331	3.0
83.04971	6.3
85.02912	100.0
87.00840	44.0
87.04484	23.5
91.05485	2.6
93.07061	3.7
95.08636	2.2
97.02903	72.6
98.21501	1.8
99.04440	16.6
103.03906	1.9
105.01878	80.7
105.07025	13.0
107.04955	1.7
107.08613	2.1
109.02895	29.6
110.90054	1.4
111.04465	5.0
114.97042	1.4
115.03941	37.3
117.05487	1.8
119.08596	1.7
125.02364	1.8
127.03927	82.0
129.01842	5.9
129.05501	3.5
133.04976	21.7
135.11609	1.6
137.06001	3.9
139.03889	5.6
145.04974	30.7
145.06142	2.1
145.10190	2.5
147.02925	2.3
147.04340	2.3
149.06010	2.6
150.07617	20.6
151.03902	1.8
156.29138	1.5
159.02907	10.9
161.13235	1.8
169.04892	1.8
177.05437	3.1
185.09903	1.4
187.06006	2.0
189.03987	4.9
201.03905	2.0
205.05057	1.9
209.11728	1.7
213.03983	5.8
213.09157	5.9
215.05568	2.9
219.17461	2.2
223.05991	4.4
227.12819	3.8
231.05002	32.9
231.10170	2.8
241.07086	10.3
249.06096	18.1
259.16455	1.7
273.06104	2.2
301.09143	2.4
309.06036	2.8
327.07056	12.4
335.11127	4.8
345.08151	23.6
353.12137	1.6
363.09161	3.6
520.17615	2.6
520.24634	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11375	0.1
55.05504	0.1
56.05042	0.6
57.03425	0.2
58.06632	0.5
59.07395	0.2
60.08164	6.3
67.05503	0.7
71.07374	3.0
79.05502	0.4
81.07047	0.4
86.09708	30.8
93.07047	0.4
95.08626	0.3
98.98467	3.1
104.10750	2.7
107.08579	0.1
121.10175	0.1
125.00009	21.4
126.04724	0.1
168.42987	0.1
168.74138	0.1
172.37469	0.1
184.07346	100.0
185.07712	0.2
258.11041	0.2
279.03888	0.1
335.25827	0.1
500.31183	1.1
518.32483	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	518.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39927	2.4
53.03945	2.8
55.01866	4.7
55.05516	38.8
57.03436	12.3
57.07079	33.5
62.67537	2.7
65.50105	2.3
67.05510	28.2
69.07071	19.8
71.08640	22.0
71.53848	2.2
75.10151	2.5
79.05494	15.9
79.07858	2.3
81.07063	26.8
83.04993	3.8
83.08624	32.1
85.10170	8.6
89.93927	2.8
91.05433	3.3
93.07027	9.1
93.64987	2.4
95.08600	16.5
97.10175	54.7
103.22868	2.3
107.08619	17.4
109.10150	9.5
111.11683	2.7
117.07082	2.9
119.08562	5.1
121.10107	5.2
123.11703	5.9
125.09633	40.5
131.53192	2.5
135.08008	4.0
153.09164	2.4
158.42551	3.1
159.06543	52.5
159.11751	2.5
189.11223	30.0
227.12802	69.9
245.11340	3.8
245.13857	64.2
265.25284	4.2
313.27368	100.0
350.05930	2.6
381.29956	25.9
483.36865	75.5
513.72205	2.8
518.38757	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	518.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.6
69.03431	0.4
70.62324	0.5
77.96759	0.2
81.56946	0.2
82.33325	0.2
86.09638	0.2
91.05487	5.4
98.21492	0.2
119.04948	15.1
143.31546	0.2
147.04416	100.0
148.04735	0.4
232.18964	0.2
254.95537	0.2
291.08704	0.5
301.75461	0.2
309.09683	1.2
321.09460	0.2
339.10776	0.3
516.04425	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	518.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38496	0.3
53.91066	0.3
56.96559	0.6
60.08147	0.5
65.03922	0.6
69.03417	0.7
70.22538	0.6
85.02902	0.6
89.03921	0.5
91.05492	5.7
93.49519	0.3
95.04996	0.4
96.59460	0.3
98.97647	0.8
119.04955	15.4
127.03210	0.6
139.03929	2.8
147.04422	100.0
148.04785	0.6
163.03900	2.1
198.98994	0.4
203.45322	0.4
239.02243	0.5
245.04312	0.4
253.00146	0.4
259.05676	0.6
277.06470	0.6
309.09940	1.7
318.03638	0.4
339.10876	0.6
393.05707	0.9
402.05923	0.4
474.16916	2.6
518.15509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.8
56.05038	1.0
57.03437	0.4
58.06612	1.2
60.08170	18.6
64.50282	0.3
67.05501	3.0
69.07078	0.8
70.06595	0.3
71.07382	6.6
79.05494	1.9
81.07066	2.4
83.08669	0.4
86.09715	51.5
91.05473	0.7
93.07082	1.8
95.08591	1.8
98.21632	0.6
98.98469	4.2
104.10754	100.0
105.07043	0.7
107.08603	1.1
109.10182	0.4
111.63290	0.3
117.41347	0.3
119.08611	0.4
121.10181	0.7
121.11845	0.3
125.00018	30.1
131.08591	0.3
135.11684	0.3
163.01593	0.3
177.31709	0.3
184.07358	98.7
252.09750	0.3
258.11032	1.2
335.25848	0.7
338.20261	0.4
500.31427	9.1
518.32489	34.5
519.33020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49075	2.2
55.01865	8.5
57.03434	15.5
57.07084	25.9
67.05502	5.5
69.03426	8.1
70.06595	5.4
70.30081	6.9
70.30426	2.8
79.05482	2.9
81.03426	9.9
81.07056	8.2
83.05013	2.6
84.04553	2.2
85.02910	25.0
85.06548	9.1
89.86803	2.5
91.05476	8.4
93.07032	4.2
95.01338	4.0
95.04996	4.1
95.08601	2.8
97.02891	8.3
103.03922	8.1
105.07057	5.3
107.04950	6.0
107.08600	2.8
109.02857	8.6
109.06521	3.5
109.10200	2.4
117.07016	3.0
119.04929	2.7
121.02855	9.2
121.06564	2.5
123.04412	12.8
127.03887	2.9
131.08525	3.8
133.06462	3.4
135.04373	3.7
135.08018	7.5
139.03923	4.9
141.06985	4.3
143.08571	5.2
145.06497	3.6
145.10109	3.8
147.04408	12.0
149.05975	4.2
149.09639	4.1
151.03932	40.1
155.08643	3.1
159.04445	3.9
161.05983	3.0
161.09615	4.6
163.03886	5.9
165.05453	5.3
171.08080	7.6
173.05959	3.8
175.03987	5.3
175.07578	7.4
177.05505	6.2
177.09140	3.4
179.08479	3.0
181.06654	2.6
183.08070	5.3
185.05969	7.5
185.09570	5.1
187.03885	7.5
187.07545	10.7
189.05469	7.1
189.09155	7.8
191.03502	3.3
197.05954	5.5
197.09741	3.3
199.07538	11.2
201.05479	6.4
201.09105	12.7
203.03358	3.9
203.06967	7.2
205.04889	3.0
205.08618	9.9
209.09778	2.7
211.07538	6.9
211.11281	2.8
212.08345	3.4
213.05534	8.6
213.09119	11.2
214.09732	2.4
215.06999	14.4
215.10745	4.6
216.07861	5.0
217.04926	6.8
217.08609	44.8
219.10182	52.1
222.06808	4.1
223.07610	4.4
223.09421	11.3
225.05580	4.1
225.09081	6.6
227.07051	11.2
227.10683	7.7
229.04996	8.0
229.08626	33.5
231.06451	3.5
231.10196	6.5
235.05898	5.9
235.09631	18.5
237.09302	5.1
239.07050	5.8
239.10672	3.8
240.07840	3.7
241.04953	4.6
241.08627	17.2
243.06552	19.6
243.10213	21.0
245.08209	12.3
247.05989	4.0
247.09665	27.7
251.07051	3.5
251.10722	2.9
252.07953	3.0
253.08583	7.9
253.10825	3.8
254.05890	2.8
255.06540	5.3
255.10164	19.5
257.04257	3.1
257.08096	8.8
257.11652	3.3
259.05954	4.3
259.09711	19.1
261.07578	11.2
263.09177	9.0
265.08340	4.9
265.10699	23.3
267.06598	5.5
267.10141	12.0
269.08151	10.2
269.11661	5.9
271.06796	4.4
271.09631	43.9
273.11157	7.6
273.67276	2.5
277.10962	12.2
279.10144	8.3
281.08047	7.2
281.11908	3.1
283.06491	5.2
283.09668	38.9
285.11273	8.6
287.09189	5.1
289.10721	57.0
291.09827	2.9
295.09689	22.9
297.07803	4.6
297.11166	11.7
299.09018	3.2
301.10693	60.1
307.09628	8.3
309.11285	6.0
311.09045	3.4
313.07251	4.8
313.10690	49.2
315.12216	6.0
317.10260	3.8
319.11847	28.3
321.11130	9.3
323.09265	3.3
323.12750	4.9
325.07333	3.9
325.10736	33.8
327.12308	3.1
329.10229	11.1
331.11783	63.1
335.12875	4.1
337.10388	21.1
339.12231	6.9
343.07962	3.8
343.11816	52.0
349.12772	24.2
355.11533	49.5
361.12952	29.5
363.12189	3.9
365.12411	11.8
367.14304	100.0
371.14813	9.8
373.12750	7.4
379.14349	22.6
385.12833	56.1
397.13705	27.8
403.13950	44.3
409.12723	16.7
415.13898	41.3
420.14444	2.6
421.15024	44.1
427.14050	20.2
433.15012	54.6
445.14917	45.1
451.15924	9.4
463.16031	45.1
481.17108	54.7
499.18204	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	515.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
54.51351	0.9
55.01867	1.6
55.05518	12.1
57.03444	5.2
57.07074	1.1
61.38090	1.0
65.03946	2.4
67.05509	38.7
69.07072	10.7
71.01353	1.3
71.04996	1.9
79.05494	33.3
80.69440	1.1
81.03416	1.9
81.07059	29.6
83.04985	4.5
83.08657	5.1
85.06541	1.8
87.50447	1.0
91.05492	17.1
93.07051	38.5
93.07642	2.1
95.04970	3.1
95.08617	19.1
97.06544	5.4
97.10179	7.2
99.08079	1.4
105.07036	11.4
107.04919	1.1
107.08600	21.3
107.70994	1.2
107.81487	0.9
109.06493	1.6
109.10155	9.1
111.08096	1.5
117.07018	7.5
119.08587	9.7
121.06448	1.3
121.10127	11.6
123.08073	1.0
123.11712	1.2
125.09662	1.0
126.27097	1.0
129.06999	2.7
131.08566	10.8
133.10162	8.3
133.59932	1.0
135.11702	26.6
141.07011	1.4
143.08539	3.1
145.10143	11.5
147.11708	4.3
149.13318	2.3
153.12775	2.4
157.10182	3.4
159.11708	5.9
161.13283	3.6
163.11206	2.7
163.14812	1.4
169.10219	1.4
171.11678	3.1
173.13293	4.2
175.14832	1.4
179.93941	1.0
181.12253	3.4
185.13319	2.1
187.14896	2.8
189.16399	1.1
197.13239	1.7
199.13272	1.3
199.14978	1.8
225.16505	1.3
230.03798	1.1
243.21075	1.5
261.22101	2.7
291.69653	1.1
299.23441	1.0
405.31393	1.3
423.32474	6.5
441.33722	2.6
497.36292	2.9
508.41562	1.2
515.37360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03973	0.9
54.10099	0.7
54.10370	0.7
55.05516	9.6
57.07087	1.5
67.05502	3.7
69.03439	0.8
69.07073	100.0
70.06590	0.9
70.18382	1.5
70.18777	1.7
73.06559	1.6
79.05479	0.7
81.07066	3.5
83.08627	1.7
85.02934	1.3
87.04469	5.0
89.06036	94.4
91.05492	1.0
93.07103	1.4
95.08621	2.9
97.10176	0.7
105.07067	1.5
107.07047	4.7
107.08582	1.3
109.10157	2.0
111.11728	29.2
119.08595	1.2
121.10197	1.0
123.11692	0.7
127.11150	1.1
129.12762	5.2
130.08636	2.0
131.07108	1.4
133.08611	55.7
143.19478	0.7
147.11697	0.8
151.09660	4.9
173.15442	1.1
175.09680	1.0
175.77589	0.7
177.11237	23.1
195.12373	2.7
199.16995	1.6
217.18015	7.9
221.13937	4.7
223.15431	0.9
228.17641	2.4
233.15364	1.0
234.22527	0.7
239.14909	4.2
243.19603	2.2
261.20688	5.9
265.16580	1.7
283.17624	3.1
305.23370	2.0
323.24274	0.9
327.20242	2.6
336.17197	1.8
349.26108	2.2
371.22809	9.5
393.28647	1.9
411.29877	1.4
455.32208	1.9
481.33643	6.8
499.34799	26.7
516.23663	2.0
516.37585	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	516.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79638	0.7
55.05515	8.3
57.07076	1.1
67.05507	3.2
69.03398	0.7
69.07072	100.0
69.40704	4.7
69.41133	1.0
71.05024	1.3
73.06554	1.9
79.05499	1.2
81.07056	3.4
83.08614	2.0
85.02914	0.8
86.09702	0.8
87.04477	5.7
89.06036	97.7
93.07058	0.9
95.05014	0.8
95.08606	3.3
104.61475	0.6
105.07030	0.9
107.06432	0.6
107.07054	4.3
107.08607	1.2
109.10162	2.7
111.11727	28.4
117.09093	1.0
119.08650	0.7
121.10195	0.8
129.12759	4.6
130.08649	1.5
131.07059	2.3
133.08609	63.3
139.03967	0.8
145.09995	0.7
151.09650	6.0
151.95540	0.6
173.15349	2.1
175.09711	1.0
177.11232	24.6
195.12291	2.9
199.16837	1.4
217.17975	7.8
221.13860	5.3
228.17480	1.6
239.14940	3.7
243.19588	1.4
261.20602	4.8
265.16385	2.2
283.17566	3.1
301.21518	1.0
305.23233	2.3
308.32977	0.8
323.24368	0.8
327.20044	2.4
349.25787	1.9
353.21393	0.9
371.22739	8.2
393.28375	0.9
406.12286	0.8
411.29767	1.5
437.31165	1.1
455.31696	1.6
481.33649	6.6
499.34744	28.4
516.37134	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59016	0.7
53.03944	3.5
53.32534	0.6
53.91024	0.7
54.77704	0.7
55.01870	1.3
55.05516	11.3
57.03444	4.1
57.07070	1.6
58.24208	0.7
60.87243	0.7
61.75898	0.6
62.97678	0.8
65.03929	2.1
67.05507	38.1
69.03445	1.2
69.07075	11.3
71.01347	1.4
71.04980	2.8
71.53761	0.8
79.05494	36.3
81.03416	2.9
81.07061	29.6
83.04986	4.9
83.08629	4.0
85.06552	1.9
91.05483	19.5
93.07049	40.3
95.04962	4.6
95.08614	17.8
97.06524	4.6
97.10183	4.6
99.08119	1.3
103.05449	0.8
105.04547	1.6
105.07036	13.4
107.08596	23.3
109.06528	1.3
109.10149	8.4
111.08071	1.2
117.07014	7.2
119.08588	8.8
119.83887	0.8
121.10146	12.6
123.11716	1.8
125.09618	1.3
129.07025	2.1
131.08572	9.8
133.10135	9.4
135.08133	0.8
135.11696	28.9
135.12729	1.5
141.07088	1.2
143.08568	3.0
145.10127	11.1
147.11687	4.6
149.13252	2.6
151.11212	0.8
153.12764	2.2
157.10139	2.8
159.11710	6.0
161.13268	2.8
163.11195	2.9
163.14851	1.1
169.10194	1.0
171.11751	2.8
173.13231	4.6
181.10088	0.8
181.12251	4.0
183.11618	1.5
185.13307	2.3
187.14888	1.9
197.13237	1.7
199.13232	0.9
201.16367	0.8
209.13391	0.9
211.14911	1.5
223.14922	1.1
243.21130	1.7
261.22119	4.1
317.24738	1.2
349.84122	0.8
400.31857	0.8
405.31488	1.4
423.32541	3.9
441.33566	2.1
474.80557	0.8
497.36588	3.1
515.37354	100.0
540.97003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79393	5.3
53.03944	9.4
55.01866	6.3
55.05503	21.4
57.03429	15.9
57.07090	6.7
61.02882	4.8
65.03943	4.9
67.05509	100.0
69.03419	22.3
69.07071	25.3
69.83647	25.3
79.05495	59.0
81.03416	11.6
81.07059	90.6
82.07384	5.0
83.04974	6.3
83.08608	15.4
84.08136	10.5
85.02899	13.1
85.06522	6.4
88.13509	4.6
91.05492	47.9
93.07050	87.1
95.04981	6.9
95.08054	7.8
95.08609	84.3
97.06516	9.5
105.07047	46.4
107.05042	5.0
107.08588	45.2
109.06511	10.4
109.10152	33.9
117.07034	16.4
118.01060	5.3
119.08598	32.5
121.10166	35.3
123.08073	7.9
123.11720	13.0
125.09644	5.5
129.07036	8.1
131.08556	42.1
133.06552	6.3
133.10109	28.1
135.08049	7.7
135.11711	36.2
137.09613	6.0
141.06956	5.4
143.08582	12.7
145.10118	31.5
147.08173	5.3
147.11734	23.7
149.09544	5.0
149.13269	25.0
157.10146	11.5
159.08006	6.9
159.11702	30.2
161.13284	13.7
163.14845	12.8
171.11771	5.6
173.13217	24.7
175.11227	6.2
179.14241	5.4
185.13300	8.3
187.14810	13.1
197.13298	7.3
201.12653	5.4
232.14867	5.1
243.21065	21.4
261.22101	76.3
287.73309	4.6
301.21585	6.0
301.45999	4.6
303.23071	10.9
335.25864	17.6
345.24265	11.6
353.27039	23.3
369.24039	13.7
405.26358	7.4
419.27609	9.8
423.32437	8.6
440.79608	5.0
461.28690	10.6
479.29904	9.7
497.30627	24.3
498.00058	5.0
515.37256	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.8
53.03939	3.3
55.01871	1.7
55.05518	12.7
57.03427	4.8
57.07072	1.7
62.72702	1.2
65.03934	1.8
65.07295	1.3
67.05508	43.7
69.07059	12.3
70.18874	4.8
70.19225	1.1
71.04961	2.5
79.05495	43.1
81.03412	3.0
81.07056	31.2
83.04983	5.0
83.08599	5.1
91.05482	22.8
93.07048	49.4
95.04953	2.9
95.08601	24.1
97.06536	5.4
97.10152	4.5
98.21573	1.5
105.07035	12.9
107.08592	21.2
109.10159	8.6
117.07032	7.9
117.12235	1.2
119.08594	11.9
121.10159	14.3
123.11684	3.0
129.07014	3.3
131.08580	12.8
133.10152	9.0
135.11690	24.7
137.09731	1.4
143.08562	4.7
145.10161	10.7
147.11690	6.0
149.13242	3.5
153.12715	2.0
157.10155	3.4
159.11700	7.2
161.13292	1.5
163.11234	2.0
163.65895	1.7
169.10045	1.5
171.11726	3.4
173.13263	5.5
181.12242	5.4
183.11714	2.1
185.13428	1.9
195.11642	1.8
199.13223	1.6
230.68680	1.2
243.21069	1.7
251.15631	1.3
261.22156	3.5
291.19324	1.4
293.15445	1.5
297.21848	2.0
307.73572	1.5
317.24869	1.9
423.32529	6.5
441.33643	2.7
459.33975	1.6
497.36353	2.6
503.54141	1.3
515.37360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00952	3.2
53.27549	3.1
55.01885	4.8
55.05515	29.3
57.03426	14.9
57.07076	4.4
61.02916	5.0
67.05508	99.1
69.03419	10.1
69.07069	25.1
70.07672	5.8
70.08068	8.8
71.04983	6.2
73.02900	4.9
79.05502	53.8
81.03428	20.1
81.06593	5.9
81.07059	100.0
82.07374	3.7
83.04970	10.5
83.08595	10.9
85.02891	11.5
91.05491	47.5
93.07047	72.5
95.04957	11.0
95.08616	72.6
97.02890	4.7
97.06532	7.1
97.10160	7.1
98.21374	4.7
103.03916	4.0
105.07050	28.1
107.04961	4.3
107.08590	39.0
109.06528	7.3
109.10154	37.2
113.09638	3.7
117.07009	12.0
119.08600	31.7
121.06514	3.4
121.10158	34.5
123.08092	4.4
123.11739	20.7
125.09631	5.0
129.07007	9.6
131.08568	33.8
133.10126	23.3
135.08078	6.1
135.11676	28.5
137.13272	7.4
143.08597	6.9
145.10123	17.2
147.11693	17.9
149.09575	4.0
149.13231	17.7
157.10127	9.0
159.11668	21.6
161.13232	13.4
163.11234	4.0
163.14815	8.8
171.11638	3.9
173.13223	16.8
175.11131	4.4
175.14775	6.6
177.16403	4.4
187.14772	11.2
193.12225	8.5
195.11693	3.3
195.13817	5.6
199.14856	5.7
211.13297	8.0
212.13638	6.6
243.21089	23.3
261.22119	68.8
269.17438	8.3
270.17810	13.3
285.16977	10.0
286.17465	5.0
301.21786	4.1
303.23193	4.8
335.25827	21.9
345.24133	9.0
353.26917	23.5
369.24271	7.6
377.27188	6.0
387.25369	5.5
419.27847	7.4
446.24149	3.6
461.28854	6.6
462.29218	7.9
479.30002	4.2
480.30356	25.8
497.30997	13.4
515.37677	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	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.05515	22.1
55.57421	1.3
57.03442	9.7
57.07063	2.7
59.04991	3.7
62.03844	1.2
65.03926	4.9
67.05509	100.0
69.03426	3.4
69.07069	41.5
69.33295	11.4
71.05003	8.6
73.06548	3.1
77.49120	1.3
79.05495	17.7
81.06593	2.8
81.07059	55.0
83.04984	20.1
83.08632	10.8
85.02891	2.5
85.06532	5.0
91.05475	5.6
93.03396	4.1
93.07044	32.9
95.04975	11.3
95.08611	32.3
97.06538	14.3
97.10188	17.6
97.61920	1.3
99.08076	2.0
101.05990	4.1
105.07030	5.4
107.04919	1.2
107.08598	16.7
109.06478	1.9
109.10163	92.9
111.04433	11.4
111.08086	2.0
111.11746	7.1
115.07579	2.2
119.08595	7.1
121.02840	4.6
121.09340	2.4
121.10155	38.1
122.27843	1.5
123.08108	2.4
123.11703	3.7
125.09717	3.3
127.11124	1.5
129.05437	2.7
131.08575	3.4
133.10121	3.9
135.11710	4.7
137.13251	4.4
139.03931	7.1
139.11192	39.0
147.11742	2.4
149.09621	5.9
149.13246	5.0
151.14908	1.7
157.04974	1.9
159.11691	2.3
161.13293	3.0
163.14778	2.3
167.10686	2.3
172.88034	1.4
179.14371	1.7
185.11763	4.7
197.15320	1.5
203.12796	61.4
215.16440	9.3
223.16905	2.0
263.19824	1.4
287.23636	3.3
295.15268	3.4
305.24747	26.0
323.25821	71.0
339.12347	3.5
341.15979	14.9
341.27063	7.6
359.17026	4.3
393.53305	1.8
451.30966	1.7
459.66550	1.6
461.29117	2.3
469.31488	2.2
479.30011	11.3
497.31058	17.9
509.17773	1.5
515.24982	2.1
515.32239	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	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.7
55.05513	19.6
57.03444	5.1
57.07072	5.0
61.02927	3.7
65.03941	5.1
67.05509	86.1
69.03420	7.5
69.07074	16.4
71.04984	4.5
77.03908	2.3
79.05499	59.0
81.03417	6.4
81.07063	100.0
83.04964	3.0
83.08624	12.8
85.02912	8.1
85.06535	3.8
91.05482	34.3
93.06487	5.3
93.07051	71.4
95.04972	6.3
95.08612	87.2
97.02923	4.0
97.06510	5.5
97.10155	5.0
98.21490	4.5
99.08121	3.4
105.07045	30.5
107.08607	51.1
109.06544	6.1
109.10158	36.0
111.08066	3.2
117.07035	16.5
119.08575	25.0
121.06508	2.9
121.10144	43.7
123.08099	2.5
123.11721	19.0
125.09620	3.9
129.07007	4.9
131.08592	25.9
133.10129	25.2
135.08052	3.4
135.11700	28.8
137.13251	7.0
143.08569	5.5
145.10121	24.6
147.11717	15.4
149.13269	26.3
157.10136	5.0
159.11716	17.7
161.09596	3.2
161.13269	15.5
163.14833	13.2
165.12796	2.6
169.10149	3.7
171.11696	5.5
173.13237	20.1
175.14847	2.5
177.12721	3.7
177.16399	6.0
185.13278	3.5
187.14804	8.6
193.60757	2.6
201.16336	3.3
205.15941	2.8
217.19536	2.7
241.19347	2.5
243.21120	30.6
245.67389	2.2
261.22150	82.7
261.24890	4.4
303.23062	3.1
335.25775	9.4
345.24277	6.8
353.26941	19.2
361.89880	2.7
369.24298	4.1
387.24911	3.4
405.26282	3.7
419.28119	3.9
461.29074	3.7
479.29861	4.3
497.31219	6.7
515.37244	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	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42136	1.5
53.03939	3.2
55.01868	4.0
55.05514	17.5
57.03436	9.7
57.07078	4.5
58.16136	1.6
59.29552	1.7
61.02919	6.0
65.03931	3.3
67.05507	87.9
69.03419	5.1
69.07077	15.6
69.68482	8.6
71.04973	3.7
75.04481	2.6
79.05494	51.5
81.03415	4.2
81.07059	100.0
83.04971	3.6
83.08627	10.8
85.02890	7.6
85.06535	2.3
85.23135	1.6
91.05481	34.8
93.07045	66.1
95.04940	3.7
95.08614	75.3
95.45599	1.5
97.02888	4.4
97.06515	6.0
97.10155	5.3
99.08083	2.7
105.04494	2.8
105.07027	26.9
107.04960	2.1
107.08597	41.4
109.02869	2.1
109.06511	4.6
109.10159	36.7
111.08070	3.8
117.07022	12.6
119.08585	24.1
121.06475	2.8
121.09338	2.5
121.10149	35.8
123.08051	2.7
123.11710	21.8
127.03960	2.2
129.07021	3.5
131.08580	26.6
133.10143	21.1
135.10725	1.9
135.11702	31.8
137.09584	2.9
137.13205	8.0
143.08556	3.8
145.10143	18.1
147.11716	18.8
149.09564	2.2
149.13258	23.0
151.11125	2.4
151.14763	2.4
157.10091	1.8
159.11685	18.9
161.13269	13.4
163.11131	3.8
163.14807	15.0
165.12717	3.5
171.11647	2.7
173.13272	17.9
175.14825	5.8
177.12766	3.2
177.16403	7.6
185.13234	4.0
187.14902	10.6
201.16418	4.9
205.15866	2.2
215.17970	2.2
233.22673	3.8
243.18806	3.1
243.21072	28.4
261.22144	86.3
271.25833	1.7
279.23157	6.5
303.23120	4.5
315.23108	1.6
316.78183	1.7
317.24756	1.7
335.25848	28.4
345.24008	3.7
351.22906	2.0
353.26874	21.8
354.72449	1.7
369.24387	3.7
377.26761	2.4
387.25018	3.6
405.26416	3.5
419.27948	2.5
443.27853	2.6
461.29025	4.2
479.29868	4.8
487.46375	2.0
497.30917	7.3
515.37347	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	514.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.7
55.01878	5.1
55.05519	28.3
57.03440	26.7
57.07085	3.3
65.03936	3.1
67.05508	68.4
69.03429	4.4
69.07078	21.4
70.17137	6.2
70.17525	8.9
71.04992	5.2
77.77267	2.4
79.05502	51.2
81.03426	73.1
81.07063	93.4
83.04986	21.9
83.08625	35.9
85.02434	3.6
85.02921	25.6
85.06542	6.4
91.04977	4.2
91.05490	42.5
93.07053	57.5
95.04969	32.4
95.08600	25.7
96.23553	2.6
97.02882	4.5
97.06543	10.2
97.10184	3.0
99.08097	3.7
101.13114	3.2
105.07037	29.1
105.25407	2.6
107.04981	5.2
107.08592	31.1
109.06534	7.7
109.10152	7.2
111.08115	12.0
113.06042	4.8
117.07025	8.2
117.42924	2.6
119.08573	21.4
121.10152	23.1
123.11694	3.9
129.06987	11.2
131.08571	16.0
133.10129	17.7
135.08026	2.9
135.11685	6.5
142.07777	6.1
145.10100	3.7
147.08058	3.4
147.11694	13.5
149.09621	5.3
149.13219	21.6
157.10156	14.8
159.11688	9.9
165.12764	3.1
175.11234	15.5
177.12738	4.2
193.12257	42.1
195.13820	16.8
211.13286	69.9
228.47737	2.6
230.11734	2.6
267.15988	33.6
269.17511	81.9
285.16968	72.2
386.80972	3.0
431.74307	3.1
461.29086	50.6
479.30078	100.0
506.83545	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	515.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87392	0.7
56.96569	5.8
69.28864	0.7
70.81782	0.8
72.06315	0.8
82.06532	0.8
82.99870	2.2
84.96027	2.4
94.99867	1.1
98.20760	1.4
98.97592	15.8
100.99152	3.7
101.00887	10.2
110.97570	9.6
113.00880	2.2
115.02453	0.9
116.98592	3.7
119.01942	7.8
126.97066	1.6
127.02420	10.6
128.98613	5.3
129.03969	1.2
131.01915	4.3
133.03468	1.4
138.15218	0.7
139.02374	2.9
140.98576	3.0
143.00279	4.0
143.01912	22.6
144.98061	2.2
145.03474	27.2
146.99678	2.0
152.98601	2.6
153.03940	0.8
154.96510	2.3
155.01912	15.6
157.03496	11.3
158.99699	6.9
161.01244	2.1
161.02977	14.5
163.04529	1.4
167.01929	12.5
169.03406	4.2
170.99670	8.3
171.05055	1.6
172.97578	5.6
173.02975	20.5
175.04510	3.3
177.00737	2.0
179.01903	5.2
179.93468	0.7
181.03465	1.0
182.99678	6.1
185.02966	32.7
187.04565	4.9
188.15489	0.7
189.00745	3.8
190.98640	9.2
191.04001	11.0
194.34610	0.7
197.02982	12.4
199.04575	2.7
201.00748	11.0
203.04036	10.2
208.99728	5.5
209.02968	1.2
213.00792	0.8
214.98610	3.8
215.04033	7.7
219.01819	10.0
227.04021	8.8
232.99754	9.1
233.05066	17.6
237.02753	4.1
243.01755	4.6
245.05090	100.0
246.05186	1.2
251.00819	3.9
251.06178	1.3
257.05035	6.1
261.02817	10.8
263.00751	1.8
263.06149	13.6
269.05347	1.0
273.02777	1.3
275.06122	14.7
279.03949	4.8
287.06177	1.1
291.03860	2.0
293.01749	2.6
293.07257	6.7
293.48166	0.7
305.07147	19.2
317.01773	3.4
317.07178	2.2
321.04938	4.5
335.02866	6.8
335.08182	13.9
351.06104	2.0
353.03909	7.8
353.09146	2.8
365.09335	34.6
381.07123	4.1
383.10532	1.0
399.08139	3.2
410.06998	0.7
451.77228	0.7
468.15659	0.8
497.13843	10.6
515.08752	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48996	1.3
53.03946	2.6
55.01864	1.5
55.05509	5.2
57.03436	4.5
61.02932	1.6
67.05517	7.8
67.40665	1.2
69.03431	3.2
69.07059	2.9
69.77266	2.5
69.77674	6.5
70.06587	3.3
71.05000	2.0
79.05095	1.8
79.05499	11.1
79.40350	1.5
81.03421	99.2
81.06657	1.4
81.07039	8.4
83.04999	3.8
83.08622	27.8
85.02911	3.8
86.09705	7.6
86.65977	1.3
91.05482	11.9
93.07054	6.8
95.04971	28.5
95.08629	3.4
97.02898	3.0
102.18158	1.4
105.07059	7.8
107.04949	5.8
107.08623	3.7
109.06536	2.0
111.04423	2.5
111.08080	12.0
113.58858	1.3
115.05386	1.4
119.08595	12.3
121.06508	1.7
121.10136	4.5
123.04433	2.3
129.06956	8.1
131.08530	6.7
133.06453	1.8
133.10146	5.0
137.06015	1.4
137.09546	1.3
142.07813	1.7
147.08026	1.9
147.11681	6.8
149.09637	5.2
157.10143	10.3
163.11171	1.6
165.12794	1.5
175.11169	10.8
192.10255	1.8
193.12254	71.7
199.17926	1.9
207.13843	1.5
211.13217	6.4
235.13400	2.0
259.13171	1.6
267.15912	52.6
285.16974	100.0
305.55167	1.4
309.16983	12.2
323.12424	2.3
363.17975	3.4
370.86862	1.6
393.19003	3.1
411.20096	1.5
429.21210	5.1
482.19333	1.7
514.22253	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	514.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73756	2.4
53.54880	2.5
55.00377	2.5
55.01880	3.6
55.05514	20.5
57.03441	18.5
67.05507	63.1
69.03434	5.1
69.07074	20.2
69.78037	15.2
71.04976	6.7
74.74661	2.3
76.35320	2.4
79.05492	41.2
80.25385	2.9
80.50397	2.5
81.03420	65.7
81.07056	76.0
83.04989	17.1
83.08227	2.9
83.08627	34.3
85.02894	18.1
85.06548	5.4
86.37259	2.6
91.05483	41.1
92.49851	2.6
93.07047	53.1
95.04958	25.9
95.08601	21.4
97.06506	9.4
97.10183	4.4
99.08067	3.0
100.72138	2.8
105.07046	21.2
107.04953	5.1
107.08596	26.1
109.06502	4.3
109.10154	5.5
111.08087	13.5
113.26566	2.5
117.07014	6.8
119.08602	21.5
121.06558	3.5
121.10123	17.1
123.08049	3.4
123.11658	4.7
129.06998	8.8
131.08574	10.5
133.10133	15.4
135.11700	6.8
147.08072	3.7
147.11688	12.0
149.09605	4.2
149.13255	25.9
157.10098	14.4
159.11710	8.2
175.11255	14.5
177.12735	6.8
185.00861	2.7
193.12244	47.5
195.13817	9.8
211.13290	80.1
252.95567	2.9
267.15866	27.3
269.17490	86.1
285.16943	61.0
349.91473	2.7
394.11090	3.1
461.28998	49.7
479.30072	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05508	0.7
57.03439	1.2
57.07076	11.4
58.06596	2.4
61.02927	1.4
64.65073	0.5
68.05025	2.2
69.03432	4.0
69.07061	0.8
70.06591	4.7
71.54797	1.0
73.02926	0.9
74.06085	4.3
81.03423	1.6
81.07064	0.6
82.06583	2.1
83.07366	2.1
84.08130	0.6
85.02908	6.3
85.06535	1.1
86.09712	0.8
87.04488	1.0
93.03432	1.2
97.02878	2.5
100.07601	0.7
109.02852	0.9
111.92310	0.5
124.07596	1.5
127.03910	1.3
129.07008	0.7
145.06480	1.8
147.04379	4.8
147.08026	0.9
157.10146	0.8
159.08084	0.6
161.06004	0.9
163.03987	0.7
169.12131	0.6
171.07991	0.8
173.05988	5.7
173.09627	0.6
174.06670	0.7
175.03874	0.6
175.07616	1.7
177.05537	0.6
185.06044	1.0
185.09596	1.0
185.36252	0.6
186.09137	1.1
187.07494	0.8
187.11232	0.7
189.09253	1.1
193.04984	1.4
197.09560	0.7
198.10562	0.9
200.08356	0.9
201.05464	4.1
201.09096	0.8
203.07042	1.3
203.10735	1.2
204.10242	2.0
205.08765	0.6
210.06836	0.6
211.07600	1.8
211.11119	3.2
212.08385	1.2
213.09058	2.9
213.12799	1.4
215.07095	0.8
215.10664	1.4
219.06541	2.4
221.08008	0.7
223.31961	0.5
224.08406	1.7
225.09222	0.6
226.09914	2.3
229.04996	0.9
229.08636	0.9
229.12311	2.3
231.10141	6.5
232.09654	0.6
233.08153	1.8
233.11867	0.8
239.10689	5.6
241.08673	1.7
241.12384	3.0
247.09627	1.1
250.10764	13.2
250.13300	1.1
253.69751	0.6
257.11768	5.6
257.14230	1.3
259.09781	2.9
259.13324	2.2
261.11258	0.7
267.10214	1.8
268.11865	3.4
270.15079	1.0
272.16458	0.8
273.11121	3.8
285.11182	5.8
287.12787	0.6
288.15997	3.5
313.11743	0.8
316.15430	19.9
334.16483	29.6
352.17551	37.9
367.16940	0.6
405.89267	0.6
430.17285	1.9
482.19205	1.1
482.38443	0.6
496.21805	4.7
514.22858	100.0
515.23206	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.1
55.01876	3.6
55.05516	13.6
57.03430	7.9
57.07081	2.0
58.99965	1.5
61.02935	15.5
62.64003	2.1
64.60203	1.4
65.03973	2.3
67.05509	31.3
69.03419	4.8
69.07071	8.1
70.03152	7.4
71.04971	2.1
73.02911	4.8
79.05494	36.7
81.03416	5.6
81.06593	2.3
81.07056	37.0
83.04970	4.0
83.08624	8.5
85.02911	12.0
85.06543	3.4
91.03944	4.6
91.05486	36.7
93.07048	41.8
95.04960	6.0
95.08611	22.5
97.02903	9.8
97.06542	3.4
97.10166	4.2
99.08080	2.8
105.06403	3.0
105.07043	38.4
107.04974	2.2
107.08604	29.9
109.06537	2.9
109.10151	14.3
111.04376	1.7
111.08064	2.0
115.05452	2.8
117.07029	11.9
119.08588	36.6
121.10150	25.1
123.11687	2.4
125.09615	3.1
129.07028	10.5
131.08572	21.5
133.10146	25.9
135.11703	19.2
141.06969	3.6
143.08540	10.5
145.10112	22.1
147.08061	2.2
147.11708	28.4
149.09619	3.0
149.13263	14.1
155.08549	2.4
157.10133	10.5
159.11713	15.1
161.13245	20.2
163.14864	3.8
167.08575	2.1
169.10135	2.1
171.11700	6.1
173.09515	1.7
173.13225	11.3
175.14838	11.4
177.12753	3.0
177.16289	2.5
183.11687	3.1
185.13217	10.1
187.14807	5.5
189.12875	2.4
193.12198	1.8
195.13618	2.4
199.14786	3.4
203.14293	2.5
213.16464	4.0
217.15820	2.3
217.19627	3.2
229.12202	2.0
229.14288	2.6
231.17456	2.6
231.21049	5.7
235.17827	1.9
241.19508	20.2
257.19064	2.8
259.20584	58.9
271.20599	3.9
277.21585	3.6
301.21548	4.5
313.21771	2.1
325.21588	2.2
339.22952	1.9
349.23239	2.7
351.25293	100.0
352.25473	1.8
363.25150	3.1
367.22534	5.6
375.25418	2.7
385.23547	7.1
403.24911	5.0
417.26328	2.4
421.25702	7.1
423.27499	3.8
441.26297	3.9
459.27435	3.8
477.28299	6.1
495.29395	6.3
513.29633	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01880	2.1
55.05519	11.1
57.03431	6.1
57.07068	2.2
61.02933	13.0
67.05177	2.5
67.05511	30.3
69.03416	7.8
69.07062	7.6
69.80952	1.7
71.04998	2.4
71.53358	3.0
73.02919	4.9
79.05496	28.6
81.03420	9.2
81.07063	33.1
83.04989	2.1
83.08606	6.7
85.02905	16.1
85.06511	4.7
89.31985	2.0
91.03940	5.3
91.05488	27.5
93.06499	2.2
93.07056	37.3
95.04960	5.8
95.08063	2.3
95.08620	24.5
97.02891	9.7
97.06519	5.2
97.10155	2.5
99.04452	2.5
101.02408	2.2
103.03962	2.3
105.06390	3.4
105.07034	31.8
107.08595	23.6
109.06511	3.8
109.10167	9.6
110.95123	1.9
111.08087	2.2
113.88238	2.1
117.07037	12.4
119.08584	31.0
120.53004	1.8
120.57638	1.7
121.06532	3.1
121.10156	21.4
122.18474	1.8
123.08045	2.1
123.11725	4.0
125.09696	1.8
127.03915	2.3
129.07031	8.9
129.50031	1.7
131.08589	14.2
133.06438	2.6
133.10133	26.1
135.08090	3.1
135.11702	17.0
141.06999	3.2
143.08556	8.4
145.06465	2.8
145.10100	15.3
147.11710	25.8
149.09633	3.4
149.13252	12.3
151.11127	2.0
157.10109	9.6
159.11702	14.9
161.13284	21.7
163.14844	4.5
167.08517	3.1
167.11935	2.0
169.10194	2.1
171.11676	12.5
173.13271	8.3
175.11162	3.5
175.14836	11.0
185.13232	8.5
187.14841	3.8
189.12740	1.9
193.12238	4.6
195.13814	1.9
197.13303	2.1
199.14716	5.1
201.16414	2.7
211.13249	4.8
231.17480	4.1
231.21135	5.4
241.19579	19.1
259.20605	51.2
271.20480	2.3
277.21582	2.7
301.21677	2.8
301.54028	1.9
333.24377	3.1
339.23099	2.2
349.23868	4.2
351.25323	100.0
363.25259	5.0
365.26569	2.2
367.22665	2.9
375.25052	2.6
385.23764	3.9
393.26044	1.9
417.26379	3.9
441.26352	6.9
456.39743	2.4
459.27243	4.9
477.28720	3.9
495.29782	11.5
513.29382	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	513.3062
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03951	2.2
55.01886	1.2
55.05518	6.2
57.03447	5.3
57.07079	2.2
61.02690	0.9
61.02935	9.7
65.03944	1.5
67.05174	1.8
67.05508	21.5
69.03426	3.2
69.07079	6.6
70.78543	2.6
71.04990	2.4
73.02916	5.2
74.24365	0.9
79.05498	26.7
81.03410	2.8
81.07060	23.7
81.41684	0.9
83.04970	1.5
83.08629	4.4
85.02912	9.7
85.06541	2.7
91.03959	4.2
91.05486	23.0
93.07052	38.1
93.07636	2.0
95.04986	3.0
95.08612	17.5
97.02914	6.5
97.06536	1.7
97.10175	1.4
99.08086	2.7
105.07036	28.4
107.08602	25.6
109.06518	1.5
109.10155	7.2
117.07034	6.3
119.08593	24.9
121.06520	1.0
121.10152	17.4
123.11710	2.4
129.06999	5.3
131.08571	11.8
133.10143	22.2
135.11694	18.8
137.09618	1.6
143.08609	6.4
145.10133	13.0
147.08047	1.4
147.11690	23.4
149.09666	2.5
149.13264	13.3
155.08662	1.0
157.10127	5.2
159.11697	9.5
161.13289	16.2
163.11163	1.8
163.14809	5.1
169.10182	1.0
171.11641	7.6
173.13257	8.0
175.11180	1.8
175.14827	8.6
177.12761	1.4
179.14378	1.2
182.28366	1.1
183.11618	1.4
185.13235	6.8
187.14873	1.8
189.12727	1.0
197.13257	1.3
199.14825	3.3
203.14288	1.5
209.13307	1.2
213.16360	1.8
217.15895	1.0
217.19577	2.6
231.17522	1.8
231.21117	3.3
241.19514	16.8
259.20590	40.6
271.20563	1.2
277.21698	8.5
286.37152	1.0
301.21634	1.1
323.21960	0.9
325.21646	1.9
333.24167	6.8
349.23642	3.6
351.25323	100.0
357.24780	0.9
363.25528	1.9
367.22684	2.6
375.25186	1.6
385.23669	1.3
403.25040	1.9
417.26193	1.2
429.26105	1.4
441.26340	4.7
456.44260	0.9
459.27628	3.3
477.28482	3.6
494.45862	1.0
495.29608	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	513.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.1
57.07078	10.1
61.01152	6.6
67.05502	2.7
69.07075	1.5
71.43749	1.4
72.04520	8.1
73.02907	1.0
78.03796	14.4
78.96862	0.8
79.05488	1.5
80.80643	0.8
81.07053	2.9
83.05000	1.0
83.27895	0.8
85.02948	0.9
85.06525	1.4
88.02224	5.3
91.05502	1.3
93.07044	2.3
95.04984	0.8
95.08603	2.6
97.06548	0.8
97.10159	2.7
99.05563	2.2
102.03773	26.7
105.07052	1.7
107.04955	2.3
107.08607	1.8
109.10158	1.6
111.00880	0.9
113.05965	0.9
114.03758	2.0
119.08598	1.2
120.04801	3.2
121.06518	1.9
121.10165	2.0
123.04424	3.6
123.11698	1.0
124.07607	1.7
127.92467	0.9
131.06395	15.1
132.04797	15.5
137.02347	1.2
142.08640	4.1
145.10172	1.1
149.06047	12.1
149.07440	100.0
151.03905	8.4
159.05878	3.1
162.06770	1.2
163.07538	2.4
163.11160	1.3
165.01949	1.4
165.05489	3.0
169.12360	1.0
175.05353	1.2
179.03401	87.6
184.09743	2.4
189.09143	2.1
189.93126	0.9
191.10683	22.5
193.05051	1.1
204.13232	0.9
234.11189	1.7
235.09663	24.2
243.11588	1.4
261.12704	40.2
268.70572	0.9
288.12299	3.3
303.23093	0.8
383.11670	1.8
383.16348	25.2
495.21698	11.4
495.28375	1.7
513.28009	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3063
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03950	3.2
53.15697	0.9
55.01868	1.4
55.05513	7.8
57.03435	4.1
57.07074	1.7
61.02700	0.9
61.02932	10.2
65.03951	1.4
67.05512	20.5
69.03423	3.5
69.07070	7.9
71.01334	1.1
71.04984	2.8
73.02912	4.4
73.80156	0.9
79.05499	29.5
81.03419	2.7
81.07064	25.5
83.04974	1.8
83.08630	3.0
85.02905	9.7
85.06535	2.2
86.22105	0.9
91.03967	4.5
91.05485	26.5
93.07048	39.1
95.04966	2.1
95.08610	18.9
97.02879	7.2
97.06493	2.3
97.10182	2.1
99.08107	1.2
102.28429	0.9
105.07045	24.5
107.04954	1.3
107.08601	26.2
109.06520	2.0
109.10162	7.0
111.08057	1.8
113.09630	1.3
117.07045	7.1
119.08588	26.7
121.06480	1.7
121.10152	19.4
123.08052	1.6
123.11713	1.5
125.09637	1.1
127.03938	1.6
129.06999	5.8
129.31784	1.0
131.08575	13.8
133.06438	1.7
133.10147	22.9
135.08058	1.8
135.11710	19.1
137.09648	1.6
141.07043	1.2
143.08597	5.9
145.10121	13.5
147.08086	1.6
147.11694	23.0
149.09660	2.2
149.13257	13.0
157.10100	6.5
159.11687	12.6
161.09663	1.1
161.13268	17.9
163.11197	2.6
163.14827	4.9
165.80992	1.1
169.10158	1.7
171.11659	9.5
173.09698	1.1
173.13266	7.3
175.11197	1.5
175.14844	11.0
177.12799	1.8
181.10129	2.2
185.13287	7.6
187.14783	1.9
197.13277	1.3
199.11078	1.1
199.14781	6.1
203.14375	1.1
209.13159	1.0
213.16469	1.7
215.18011	1.2
217.19475	2.3
229.51208	1.2
231.17468	2.1
231.21077	2.9
241.19524	18.3
241.21771	1.8
259.20590	43.1
271.20645	2.0
277.21664	7.7
279.01758	1.1
301.21652	1.7
333.24445	6.7
349.23651	3.2
351.25308	100.0
363.25107	2.1
367.22745	3.3
375.25259	2.3
385.23511	1.7
405.71500	1.0
417.26230	3.8
421.26019	1.1
429.26605	2.2
441.26437	5.3
459.27176	2.9
477.28571	2.4
495.29651	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	513.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	1.0
69.51136	4.6
80.62317	1.0
82.99873	3.7
94.53888	1.1
97.02882	1.5
98.97593	4.0
100.07657	1.0
101.00206	1.2
101.00882	19.5
109.01435	1.7
109.02881	1.4
110.97571	1.7
113.00883	7.0
116.98649	1.3
117.03965	1.1
119.01930	14.2
123.04276	1.1
127.02411	11.1
131.01912	10.4
133.03456	0.9
137.02892	0.9
139.02446	3.1
141.03960	8.3
143.00241	1.5
143.01906	39.0
145.03473	27.9
147.01358	1.9
152.94151	1.0
153.03995	2.2
155.01895	23.2
157.03459	8.4
157.98985	1.0
158.99542	1.1
159.05055	13.9
161.02956	22.1
163.04524	2.0
167.01886	16.8
169.03471	53.9
170.99731	1.3
171.01433	2.6
171.05046	6.8
173.02971	21.7
175.04599	1.0
179.01857	5.5
181.03474	11.1
183.05078	2.6
185.02965	49.3
187.04535	55.6
189.00800	1.3
189.02490	4.0
191.03978	2.0
193.03563	2.8
195.05052	2.3
197.02982	16.0
199.04520	11.4
201.00731	2.1
201.06041	1.1
203.04033	18.7
205.03452	1.4
208.04518	1.2
209.02998	1.5
210.06186	1.1
211.04541	12.0
213.02531	6.9
213.06136	4.0
215.04027	10.1
217.05659	1.2
219.01761	1.1
221.05075	1.9
223.04521	4.6
227.04021	10.9
229.05643	7.5
231.03513	39.8
237.02608	2.0
239.04015	1.0
241.05521	2.2
243.03564	6.8
245.05087	100.0
246.05270	1.8
249.04642	5.4
253.05602	3.0
257.05060	7.6
261.04745	13.1
263.06134	10.4
271.06638	25.3
273.04715	1.2
275.06134	13.1
289.07742	12.9
291.05655	19.1
293.07184	3.9
303.09305	2.7
305.07187	10.6
315.05646	12.0
319.05136	1.3
321.04984	2.5
321.10345	2.4
333.06668	23.2
335.08292	6.7
347.08298	2.3
351.07745	29.6
365.09357	18.2
393.08807	1.5
394.73657	0.9
425.10632	1.1
467.12796	1.6
477.87152	1.1
513.13000	53.4
514.13593	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01870	2.7
55.05517	3.8
55.39546	1.1
56.86998	1.3
57.03437	1.9
57.07069	1.3
65.03934	1.5
67.05516	8.4
69.03424	6.6
69.07069	6.9
69.83887	5.4
71.04987	1.4
73.02905	1.7
79.05495	8.9
80.60547	1.1
81.03413	4.3
81.07058	17.2
82.07362	1.6
83.04974	3.2
83.08616	2.5
85.02905	8.9
85.06560	1.7
86.06078	1.4
91.05471	9.9
93.03442	1.3
93.07043	16.2
95.04984	4.5
95.08613	18.2
97.02911	3.4
97.06553	2.8
97.10176	1.3
100.99134	1.2
103.05478	1.2
105.07032	18.7
107.04966	1.6
107.08596	12.9
109.06519	3.6
109.10162	10.4
111.08080	2.9
113.02274	1.3
117.07030	3.5
119.08591	18.3
121.06529	12.3
121.10144	10.9
122.10528	1.1
123.08091	11.7
123.11707	4.6
125.09612	1.5
127.03887	1.9
128.06230	1.6
129.07031	3.6
131.08572	10.0
133.06493	1.4
133.10144	8.6
135.08041	7.1
135.11693	2.8
137.09650	5.2
142.07785	1.3
143.08580	12.4
145.05013	1.7
145.10130	15.9
147.08110	5.5
147.11697	23.2
149.09645	8.1
149.13440	1.5
151.11191	1.6
155.08546	2.2
156.09358	2.0
157.10158	12.8
159.08049	2.4
159.11713	7.0
161.09666	7.2
161.13237	2.7
163.11229	3.3
165.12770	1.7
167.07022	1.4
169.10144	5.0
171.11664	9.1
173.09683	6.9
173.13292	3.9
175.11211	3.8
177.12767	2.9
179.10666	1.3
181.10063	2.7
183.11722	4.0
185.13312	8.9
187.11230	5.0
187.14812	1.5
189.12807	2.0
191.14272	2.0
193.12242	2.5
195.11749	5.3
197.13332	2.4
199.11008	2.0
199.14848	9.5
201.12735	1.7
201.16432	3.7
203.10648	1.9
203.14322	2.6
209.13345	2.8
211.13055	1.6
211.14822	11.3
213.12744	7.9
215.14343	2.5
217.15858	2.9
223.14799	2.6
225.16440	2.6
227.14418	1.9
227.17967	9.4
229.15915	6.2
231.13774	25.1
241.15858	2.6
241.19589	5.1
243.17471	2.2
245.19139	1.5
251.18011	4.9
259.20590	1.4
269.19016	45.5
271.20560	1.7
275.61908	1.1
287.20068	100.0
297.18500	4.3
315.19565	25.8
333.20615	27.1
375.10785	1.2
494.28015	1.6
512.29315	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	511.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.6
55.01876	2.8
55.05513	20.5
57.03442	10.7
57.07074	2.7
59.04995	2.3
65.03931	5.8
67.05509	69.0
69.03440	8.5
69.07076	14.5
70.03876	2.8
70.04207	10.4
71.04997	50.8
71.05379	4.1
79.05499	43.7
81.03430	46.7
81.03871	4.0
81.07064	93.8
83.04995	18.8
83.08627	26.2
85.02903	24.3
85.03283	2.0
85.06552	6.1
91.05487	65.6
92.05833	2.6
93.07049	33.0
95.04970	27.4
95.08624	19.9
97.02917	2.6
97.06554	8.5
97.10178	5.6
98.21468	4.4
99.08113	2.7
105.06326	3.3
105.07034	42.1
107.04987	5.4
107.08601	25.6
109.06552	6.9
109.10150	11.0
111.04437	2.9
111.08087	12.7
115.05497	3.7
117.07065	8.2
119.08601	21.7
121.06522	4.1
121.10151	13.7
123.04453	3.6
123.08092	4.5
123.11714	18.8
129.07040	7.9
131.08598	15.6
133.10133	35.9
133.11084	2.5
135.08113	2.2
135.11731	9.1
137.09605	2.6
139.07631	2.5
142.07806	3.2
145.10156	3.8
147.11674	13.0
149.09682	6.1
149.13290	9.1
151.11191	14.8
157.10205	8.8
159.11726	7.3
163.11298	2.5
165.09138	4.0
165.12787	4.8
175.11174	12.2
177.12766	5.7
180.42755	2.0
183.13792	15.4
193.12274	42.3
195.13939	6.5
211.13284	69.7
211.15282	4.3
213.08318	2.5
267.09567	2.2
267.16125	6.5
283.19208	2.2
285.17331	3.8
293.65509	2.3
311.18527	2.8
435.27493	14.4
457.33054	3.2
461.28571	4.9
465.62256	3.0
467.30060	48.4
467.36655	2.6
475.33856	2.5
479.30203	9.1
511.32837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	14.7
55.01865	10.0
55.02106	2.1
55.05514	28.2
55.59536	1.9
57.03442	24.6
57.07066	3.2
61.02917	9.2
65.03930	5.8
66.63407	2.2
67.05508	81.7
69.03082	3.3
69.03432	45.9
69.07072	26.8
70.97564	4.6
71.01354	3.3
71.05002	15.6
73.02915	8.4
79.05493	55.0
81.02928	2.6
81.03422	69.1
81.07058	100.0
83.04990	20.4
83.08635	14.0
85.02914	34.6
85.06536	7.5
91.03957	5.3
91.05485	64.1
93.06483	4.1
93.07046	62.8
95.04967	14.9
95.08605	38.4
97.02892	38.0
97.06529	10.8
97.10152	5.2
99.04495	10.3
99.08086	5.4
101.02365	5.3
103.03998	4.1
103.05501	2.4
105.07039	53.7
107.04979	12.7
107.08613	39.3
109.02882	14.7
109.06515	11.5
109.10163	24.8
111.04449	6.5
111.08088	7.5
115.05441	2.8
117.07015	18.1
119.04919	2.8
119.08578	46.8
121.06508	8.4
121.10142	23.2
121.46931	2.0
123.08067	7.4
123.11720	11.0
125.09623	4.9
127.03916	19.2
128.06218	2.5
129.05475	7.5
129.06981	13.1
131.04880	2.7
131.08580	33.3
133.06500	5.0
133.10135	37.8
135.08029	9.8
135.11703	17.9
137.05933	2.3
137.09651	5.1
137.13237	2.3
139.11182	2.8
141.06990	3.2
142.07823	2.9
143.08594	12.8
145.04955	4.8
145.10133	27.3
147.08134	4.8
147.11699	23.5
147.94060	2.2
149.09653	11.9
149.13239	11.4
151.11195	5.8
155.08560	4.6
157.10129	10.2
159.11697	23.9
161.09616	4.1
161.13239	8.6
163.11180	9.2
165.09132	3.2
165.12689	4.1
169.10129	4.7
171.11647	7.7
173.04494	23.5
173.13287	12.5
175.11223	8.2
177.12723	5.1
183.06487	6.0
183.11702	4.5
185.13295	4.2
187.11143	3.0
187.14755	3.1
189.12753	4.4
191.10698	3.3
191.14447	2.2
193.12254	9.6
195.11964	2.2
195.13799	11.3
197.13272	4.9
201.07571	3.3
209.11562	4.0
211.13283	9.8
213.14807	4.8
227.12839	3.3
229.19493	3.7
239.18098	5.6
247.20567	8.4
257.19000	17.0
269.17447	7.3
275.20053	58.8
293.21097	5.1
303.16107	2.7
331.22546	4.0
337.21292	3.1
339.17960	3.1
349.23743	66.8
367.24655	5.0
391.24939	4.7
395.20297	3.5
401.23178	3.8
413.21753	28.6
419.24109	3.3
457.25513	2.5
467.29630	3.0
475.26385	3.9
493.27963	14.5
511.28433	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.5
57.03432	4.9
57.07079	45.8
58.14574	1.0
60.08160	5.9
61.02922	4.9
64.98838	1.3
65.05098	1.3
67.05511	11.0
69.07067	9.9
69.49046	8.2
71.07366	2.0
71.08634	31.7
75.04466	2.9
80.11008	1.3
81.07065	14.4
83.08623	13.8
85.02910	4.5
85.10194	16.4
86.09708	18.7
89.06055	1.6
91.03957	2.2
93.07084	1.4
95.08610	25.3
97.02893	2.2
97.10183	6.5
98.98450	1.6
104.10745	39.7
109.10162	11.6
111.11716	1.5
114.99045	1.2
123.11766	6.1
125.00010	11.3
137.13246	1.6
138.36363	1.3
160.80757	1.2
183.89423	1.2
184.07349	33.1
197.36250	1.4
202.20691	1.4
227.62833	1.3
239.23685	27.1
257.24814	4.8
286.18811	1.2
306.24561	1.4
313.27365	100.0
331.28366	17.5
338.27686	1.9
340.72330	1.3
472.56039	1.3
474.39694	1.4
475.32346	1.6
492.35242	1.7
510.35495	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	511.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.6
55.01883	8.3
55.05514	27.1
57.03198	1.7
57.03448	21.1
57.07073	3.1
61.02922	6.3
64.09720	2.0
65.03930	5.1
65.04827	1.9
66.40823	1.7
67.05511	71.2
69.03080	3.3
69.03436	36.9
69.06734	2.2
69.07075	24.7
70.27754	6.2
71.01338	2.8
71.05006	21.6
73.02913	6.0
76.48923	1.6
79.05504	57.7
81.03427	87.9
81.07067	100.0
83.01337	2.0
83.04994	20.2
83.08618	15.7
84.66753	1.9
85.02922	26.3
85.03393	3.3
85.06531	5.0
87.04480	1.8
90.45502	1.7
91.03960	3.3
91.05494	59.0
93.06483	3.4
93.07054	56.2
95.04985	17.8
95.08616	45.0
97.02907	38.4
97.06542	13.8
97.10174	5.3
99.04449	16.3
99.08099	5.0
101.02373	3.5
103.03952	4.4
105.04533	2.0
105.07043	50.8
107.04972	9.3
107.08608	40.8
109.02884	13.6
109.06529	10.0
109.10169	20.0
111.04443	7.0
111.08073	6.5
113.06053	2.5
115.03897	2.5
117.07031	17.7
119.04890	2.5
119.08602	35.1
119.09437	1.2
121.06520	8.1
121.10159	24.6
123.08061	4.9
123.11720	9.1
125.06026	3.3
125.09624	5.0
127.03931	21.4
129.05469	6.6
129.06978	9.1
130.07780	2.3
131.08582	29.7
133.06483	5.8
133.10146	34.6
135.08083	6.9
135.11729	15.3
137.06000	3.3
137.09622	4.6
137.13301	2.6
139.11212	2.8
141.07098	2.0
143.08577	7.3
145.04971	2.7
145.06459	2.6
145.10130	15.1
147.08025	3.3
147.11702	19.4
149.09648	8.2
149.13275	14.7
151.03909	2.0
151.11209	7.0
155.08589	4.0
157.10175	10.3
159.08139	2.2
159.11710	21.8
161.09595	2.7
161.13260	6.9
163.11180	8.0
165.12796	5.8
169.10133	5.3
171.11697	6.2
173.04462	26.5
173.09660	2.1
173.11961	1.8
173.13269	10.1
175.11235	4.3
177.12770	9.9
179.14381	2.0
183.06619	2.5
183.11710	2.5
183.13821	3.1
185.13257	4.4
187.11160	3.2
187.14830	2.7
189.11263	2.2
189.12805	2.1
191.10646	2.5
193.12291	10.8
195.12080	2.9
195.13800	18.0
197.13350	3.8
201.12848	2.0
203.58646	1.6
209.11789	2.5
211.11554	2.1
211.13208	9.7
213.14798	3.3
219.13861	3.9
227.12788	2.9
229.14301	3.4
229.19594	4.6
233.15245	2.9
239.14389	2.1
239.17989	5.4
245.19035	2.1
247.20576	5.7
257.19058	9.8
265.21744	2.0
267.16074	3.3
269.17514	14.3
273.14883	1.9
275.20090	40.1
283.15408	2.4
285.14792	2.1
293.21027	4.2
297.17105	2.5
299.19977	2.0
303.15979	3.7
321.16974	2.7
331.22818	4.0
339.17981	6.1
349.23770	49.9
367.24805	4.6
377.19522	2.2
391.24631	2.7
395.20569	3.7
413.21719	44.2
457.26196	2.6
457.32813	2.9
467.29999	5.1
475.26987	5.1
479.29483	2.0
493.27594	10.9
499.36224	1.9
511.28488	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.7
53.09061	1.0
55.01872	3.1
55.05503	4.0
57.03438	2.4
61.02933	1.4
65.03912	1.1
67.05180	1.2
67.05509	15.2
68.05839	1.1
69.03431	1.9
69.07077	7.0
71.04993	4.3
71.53237	1.7
71.53863	1.2
74.67107	1.1
79.05497	11.7
81.03418	3.1
81.07061	43.2
82.11252	1.1
83.04972	4.1
83.08624	4.7
85.02902	4.6
85.06540	3.3
87.04457	2.0
91.05492	16.2
93.07042	9.5
95.04971	2.3
95.08609	12.4
97.02901	2.4
97.06528	5.1
99.08081	3.5
100.11272	2.0
102.15424	1.1
105.07037	22.3
105.93583	1.1
107.04945	1.5
107.08595	9.4
109.06512	4.5
109.10180	3.6
110.80936	1.3
114.67345	1.1
115.03934	4.0
115.50553	1.1
119.08591	17.6
121.10155	13.8
123.04424	1.8
123.08044	2.4
123.11718	17.8
127.07555	2.0
129.06947	1.9
131.08575	4.6
133.04930	3.3
133.10126	5.6
137.13232	3.2
139.03926	1.8
145.10141	1.4
147.10509	2.7
147.11697	55.2
149.09636	3.4
151.11137	1.2
154.75340	1.1
157.10155	3.9
165.12772	27.0
175.11217	5.6
183.13815	3.9
193.12227	6.4
203.17937	2.3
209.11766	6.1
211.13292	3.7
229.14362	19.1
279.16110	1.9
297.16983	22.4
307.15363	3.5
325.16486	100.0
343.17584	5.3
411.20410	1.3
439.19650	4.9
457.20786	14.1
494.53055	1.3
510.23407	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27161	1.2
51.71768	1.3
52.73919	1.4
54.77861	1.1
55.05507	5.6
55.87879	1.4
57.03443	4.2
57.07080	58.9
61.02934	2.2
67.05511	16.2
69.07072	12.9
71.08639	41.1
72.05834	1.3
73.75401	1.2
75.04479	1.9
81.03432	2.3
81.07066	24.3
83.08620	16.0
85.02902	8.5
85.10190	25.8
89.06036	1.5
91.03974	3.1
95.08058	2.7
95.08610	32.1
97.02897	5.3
97.10188	9.9
99.04456	2.2
105.07040	1.9
109.02950	1.7
109.10162	16.1
111.11758	1.8
123.11720	8.0
125.13262	1.5
127.03921	5.1
134.09650	1.5
137.13240	2.3
145.05008	2.9
151.14862	1.5
239.23727	41.0
257.24762	4.6
306.24292	4.6
313.27396	100.0
331.28476	19.9
352.45328	1.6
383.27985	6.5
401.28946	18.9
510.37082	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.6
55.05513	26.0
57.07075	11.9
63.24999	3.1
65.30752	2.7
67.05510	36.4
69.03411	4.6
69.07069	51.8
71.08649	3.2
79.05489	19.9
81.03414	10.5
81.07062	100.0
83.08618	33.0
83.32874	2.8
85.02913	13.2
85.06539	11.5
91.05476	10.1
93.07042	23.5
95.04968	9.4
95.08000	4.6
95.08612	94.4
97.10177	22.1
98.21508	10.6
99.08103	5.8
105.07016	10.5
107.04967	6.4
107.08598	25.0
109.06536	4.1
109.10162	53.6
111.08098	4.5
111.11736	16.7
117.07068	3.4
119.08568	5.3
121.06512	6.5
121.10132	13.6
123.11714	31.2
125.09592	4.7
125.13269	10.0
125.30247	3.1
127.11205	4.3
129.12790	4.1
131.11436	3.0
133.10138	8.9
135.08072	3.7
135.11703	7.3
137.13269	17.4
139.03883	4.2
143.14333	3.7
145.05008	3.1
145.10141	4.1
147.11765	4.6
149.13266	17.6
151.11186	4.4
151.14822	28.8
163.14847	8.1
165.16397	6.9
169.15901	5.3
179.17926	3.2
183.17424	4.4
191.17967	3.6
193.12289	10.2
211.13252	4.4
219.13715	4.8
219.20934	4.1
249.25954	5.4
275.27365	14.8
281.28381	9.8
291.59988	3.9
293.28384	37.2
311.29416	16.8
341.20624	3.3
367.22592	6.3
385.23856	5.4
408.96375	3.4
459.27170	11.5
509.26819	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	509.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.1
55.01861	5.7
55.05514	36.1
57.03436	7.8
57.07078	13.1
59.12481	5.8
61.02921	5.6
62.54059	5.5
62.65307	5.3
64.83472	5.5
67.05511	54.0
69.03448	11.0
69.07079	56.9
69.52979	9.9
69.53396	30.0
71.05024	6.2
71.08649	7.5
78.34611	5.3
79.05510	30.9
81.03411	20.7
81.06605	5.7
81.07067	100.0
83.04974	7.2
83.08624	42.3
85.02920	19.3
85.06541	19.1
91.05484	52.9
93.07066	29.6
95.04974	24.4
95.08617	91.3
97.02890	11.8
97.06529	7.7
97.10186	29.2
99.08088	15.5
100.11258	15.5
105.01800	5.1
105.07059	27.4
107.04950	12.9
107.08610	30.0
109.02895	5.4
109.06525	9.9
109.10165	63.9
111.11720	17.2
117.07021	8.7
119.05002	6.8
119.08571	21.3
121.06572	6.5
121.10161	26.5
123.04430	8.8
123.08147	13.5
123.11716	28.7
125.09648	5.9
127.03928	7.9
131.08600	15.5
133.10138	21.0
135.08049	9.1
135.11710	20.5
137.13306	17.3
139.03903	16.0
143.14406	6.8
145.10165	12.2
147.04480	11.9
147.08047	9.3
147.11713	10.8
149.09618	8.1
149.13260	20.5
151.03883	10.8
151.11139	10.4
151.14886	15.7
157.10211	5.6
161.09590	6.6
165.05507	10.2
165.16451	11.6
175.11246	10.8
191.17896	7.0
193.12331	12.7
203.68153	6.2
242.05592	7.0
257.04486	52.9
258.05258	6.6
267.15967	10.2
270.05429	7.4
275.13345	5.9
275.27423	10.0
281.28476	12.6
286.04877	13.5
287.03821	19.9
289.05264	18.4
293.28308	20.6
297.03964	18.4
299.14911	8.9
311.29437	26.0
341.21323	8.2
388.33551	7.5
406.90747	6.4
455.31406	6.4
459.27203	16.7
463.00299	5.7
465.11807	21.2
473.33377	7.5
477.28500	9.6
491.22519	19.7
491.33447	12.7
509.10941	92.4
509.23849	38.3
509.40518	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	509.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01182	3.9
55.01870	14.0
55.05518	52.2
57.03424	16.6
58.79840	3.8
59.04997	5.8
67.05509	50.3
69.03423	4.9
69.07056	18.0
71.04980	17.8
74.41597	5.0
79.05067	8.0
79.05494	75.2
81.03434	24.2
81.06599	4.8
81.07065	65.7
83.04978	10.4
83.08642	26.5
85.06546	8.1
87.71302	4.2
91.05484	41.6
93.07056	53.5
95.04962	45.8
95.08621	22.6
97.06500	6.0
97.10177	38.5
105.07051	36.1
107.04373	5.1
107.04958	42.8
107.08617	38.4
109.06548	25.9
109.10141	18.4
111.04465	4.1
111.08073	5.9
117.07035	20.9
119.08543	15.1
121.06525	26.2
121.10138	31.2
123.08054	12.1
123.11743	6.5
125.09635	40.2
129.07024	10.1
131.04907	4.6
131.08601	32.2
133.06525	8.5
133.10123	11.4
135.08028	17.2
139.11230	5.6
141.07028	7.3
145.06526	14.7
145.10146	14.0
147.08057	9.5
147.11668	6.1
149.09601	12.8
153.09042	5.8
157.10133	8.6
159.08043	6.8
161.09630	5.1
163.11140	10.8
167.10667	9.5
171.11615	5.8
173.13246	6.5
175.11186	8.3
177.12662	5.3
189.11198	20.6
193.12257	14.1
197.13306	5.6
199.13287	15.5
211.13246	8.6
215.14342	8.7
219.13786	20.6
223.13191	11.1
227.12779	18.4
229.21866	4.9
233.15356	18.2
233.41898	4.1
241.14331	5.4
249.14879	6.8
267.15900	11.2
273.17169	8.9
275.16388	8.6
293.17447	18.8
293.72287	5.3
339.23111	14.3
349.21597	18.7
357.24249	6.9
367.22684	52.0
377.24295	5.4
385.23740	60.0
403.24722	18.2
417.26227	6.0
441.26276	14.5
459.21292	7.0
459.27478	100.0
477.28555	71.8
491.30029	34.1
509.31146	28.3
526.74066	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	509.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.01867	7.3
55.05511	25.8
57.03428	5.8
57.07088	9.6
63.82333	2.3
67.05509	37.8
69.03416	8.3
69.07073	41.5
70.46221	5.3
71.01340	2.4
71.04993	5.4
71.08612	2.6
79.05495	27.8
81.03419	22.3
81.07059	74.9
83.04961	8.1
83.08629	26.9
85.02912	18.1
85.06541	7.0
91.05478	28.9
93.07047	29.1
95.04974	21.9
95.08609	61.5
97.06516	3.8
97.10178	16.2
99.04494	3.0
99.08096	5.9
105.07035	21.9
107.04945	8.9
107.08595	24.5
109.02940	2.6
109.06520	8.5
109.10163	49.2
111.08080	7.3
111.11742	9.6
112.31340	2.2
113.05991	3.5
113.44677	2.0
117.07006	4.8
119.08578	13.8
121.06496	7.0
121.10149	15.4
123.04461	2.9
123.08062	6.1
123.11725	25.6
125.09615	8.2
125.13262	8.0
129.07021	4.9
131.08530	10.3
133.10143	24.3
135.08035	5.2
135.11676	5.7
137.05981	16.1
137.13255	18.0
139.03926	3.1
139.11171	2.0
139.14854	2.6
145.04970	3.1
145.06459	3.8
145.10149	5.7
147.04434	2.7
147.08072	3.1
147.11694	6.8
149.09619	4.3
149.13289	13.2
151.07574	5.6
151.11182	8.8
151.14827	8.1
155.14313	3.9
157.10123	6.2
161.06021	3.2
161.09624	5.4
163.11162	2.3
163.14813	6.3
165.12737	2.5
165.16365	5.6
167.14343	9.0
169.12231	2.9
169.15839	2.1
175.07504	2.0
175.11177	6.2
179.10660	2.5
179.17976	3.9
189.09189	3.5
191.17996	3.2
193.12254	17.0
193.19485	2.8
195.10144	2.9
205.08597	4.0
209.11778	2.4
211.13290	30.5
211.80351	2.0
219.13895	2.3
219.21164	2.4
233.78883	2.2
243.04831	4.5
267.16006	4.9
275.27322	8.4
287.03738	11.6
289.05289	8.5
293.25156	2.2
293.28384	31.8
297.11145	2.7
299.14853	3.2
311.29428	7.1
317.52579	2.0
349.21570	3.3
367.22476	6.2
385.23727	8.4
403.24954	3.4
459.27402	12.4
465.24298	4.5
477.28418	4.6
491.22150	23.6
491.27933	2.8
509.22598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	17.3
57.07075	13.2
67.05509	30.3
69.06741	2.5
69.07079	43.4
69.95489	13.9
71.08624	6.2
79.05492	17.5
81.03445	2.8
81.07060	100.0
83.08630	23.8
85.02887	7.5
85.06534	9.1
91.05483	8.9
93.07050	37.9
95.04952	4.6
95.08611	75.8
97.06519	3.7
97.10167	17.7
99.08091	4.6
102.31937	2.7
105.04507	3.3
105.07039	17.1
107.08601	38.4
109.10172	57.2
111.08092	5.2
111.11723	9.8
119.08555	12.7
121.06506	3.7
121.10163	24.1
123.04430	3.1
123.08041	3.6
123.11721	40.7
125.13290	4.0
133.10118	11.8
135.11705	23.7
137.09578	3.8
137.13261	9.2
147.11676	8.7
149.13258	44.2
151.03923	3.4
151.14828	8.1
153.12682	3.9
161.13298	6.6
163.14804	16.3
165.12691	3.7
167.14397	2.8
168.13736	3.4
173.06065	3.3
177.16418	7.9
179.17847	3.3
191.17918	5.1
203.17953	4.7
205.19524	3.3
216.78278	2.7
217.19502	5.5
247.24156	4.1
265.25116	3.0
273.25793	19.3
279.26755	14.4
291.26825	34.7
297.27853	6.1
309.27869	35.0
325.10648	4.4
507.39386	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	507.353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98740	2.8
53.03960	4.4
55.05510	23.1
57.07079	16.0
62.07684	3.3
62.14285	3.8
63.47474	3.2
67.05511	39.5
69.03415	3.7
69.07075	46.7
70.07901	9.8
71.08632	8.5
79.05502	22.4
81.07062	90.3
83.08623	24.9
85.02916	13.9
91.05482	13.5
93.07054	53.9
93.51762	3.3
95.04967	6.4
95.08611	100.0
97.10175	16.1
98.20847	4.7
105.07017	21.0
107.08599	40.5
109.10161	62.0
111.08081	4.4
111.11716	9.3
119.08620	9.4
121.10154	35.8
123.11710	38.9
125.13248	6.4
133.10144	14.4
135.11684	35.7
137.13266	22.0
139.11185	9.6
147.11732	27.4
149.13264	37.9
149.73685	3.5
151.14832	8.1
161.13277	6.7
163.14745	16.7
165.12779	10.9
165.16408	4.0
175.14891	4.7
177.16399	11.6
183.13858	8.2
189.16396	6.6
191.17781	6.7
203.17918	6.1
217.19534	7.5
247.24295	4.9
273.25778	32.6
291.26837	16.2
309.27985	6.7
387.92883	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
53.92944	0.5
54.85947	0.7
55.01877	0.7
55.05510	10.1
55.72054	0.6
57.03443	1.3
57.07077	24.1
57.59639	0.6
62.94522	0.6
65.03946	1.6
67.05505	33.8
68.05853	0.8
68.35868	0.7
69.07070	13.0
70.09201	2.8
71.04981	2.3
71.08633	18.9
73.03796	0.5
79.05494	15.6
81.03419	3.5
81.07056	44.5
82.03756	0.7
83.04980	2.8
83.08622	13.3
85.06532	1.4
85.10179	10.8
91.05481	9.6
93.07047	23.5
93.07643	1.3
95.04965	2.6
95.08611	22.8
97.06533	2.9
97.10169	5.5
99.08124	1.1
105.04505	1.1
105.07027	4.5
107.08590	13.1
109.06550	1.1
109.10160	11.1
111.08076	2.7
111.11729	1.3
115.80977	0.7
117.07027	3.0
119.08595	1.6
121.10159	5.7
123.11702	5.7
125.13197	1.0
129.07089	0.7
131.08560	3.8
133.10127	6.6
135.11696	4.9
137.13292	1.4
139.11263	0.7
147.11678	1.5
149.13258	13.2
149.14386	1.1
151.11255	1.4
151.14825	1.0
159.11703	5.2
169.10170	0.6
177.12778	2.9
195.13840	7.9
202.81404	0.6
213.14867	1.5
220.71364	0.7
221.22781	1.2
239.23685	6.6
282.06863	0.6
432.43561	0.6
452.84750	0.7
507.40472	100.0
508.41013	1.1
534.47845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1655
Annotation	Pannellin
Peak:m/z	Relative Intensity
53.03954	1.4
53.15003	1.2
54.03354	1.3
55.01863	2.3
55.05523	1.8
58.13449	1.3
59.23897	1.2
65.03946	2.4
67.05505	3.4
70.18136	2.4
70.18481	4.4
76.89830	1.3
78.04681	2.2
79.05453	3.5
81.03436	1.5
81.07037	4.1
91.05490	13.6
93.07026	5.2
95.01348	13.9
95.04977	2.3
95.08597	2.0
102.04710	3.3
103.05474	12.3
104.06255	2.7
105.03388	3.1
105.04494	1.8
105.07021	5.7
107.04932	8.0
109.10188	2.6
115.05449	5.0
117.03358	1.9
117.07015	3.6
118.00569	1.4
118.04142	5.0
119.04929	3.0
119.08582	2.7
121.06516	8.3
123.00800	61.3
128.06241	1.5
130.04135	5.3
131.04938	25.3
132.05721	19.2
133.02899	2.8
133.06496	3.6
135.04396	3.7
137.05962	2.1
139.03877	1.7
145.06491	48.3
146.07263	21.5
147.04468	2.6
147.08052	50.0
148.05188	3.0
149.05991	6.7
151.00215	2.8
152.01059	3.4
152.06212	11.8
153.01860	9.9
153.07002	3.8
155.08672	1.3
160.05209	5.7
161.05992	6.1
163.03920	4.5
163.07571	3.4
165.05544	2.9
165.07008	5.0
167.07094	9.5
167.08395	2.1
169.01326	2.5
170.07286	3.1
171.08057	3.0
172.05186	2.6
173.06000	17.5
176.04718	6.1
177.05513	12.2
179.07065	5.8
180.05727	8.8
180.07784	6.7
181.06503	4.5
181.08556	1.8
182.07343	2.8
185.09668	6.1
191.03391	6.2
191.07011	21.5
192.07805	26.8
193.08600	6.6
195.08066	33.6
198.06830	2.6
199.07536	3.7
207.06500	2.5
208.05193	4.7
209.04456	2.4
209.08109	3.9
210.06787	5.1
213.09189	7.9
221.06029	1.7
223.07542	85.9
226.06256	6.0
236.04758	5.0
237.05464	4.9
241.08630	13.7
251.07065	25.4
253.05103	3.7
254.05807	10.4
266.05838	6.2
269.08078	40.6
279.06531	12.5
282.05310	9.8
297.07587	100.0
298.08087	1.9
299.09222	5.6
353.10400	2.7
399.10950	1.6
457.13046	3.1
465.62445	1.5
477.15524	18.3
489.15469	99.3
507.16516	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	506.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.5
57.07064	1.2
64.39088	0.7
67.05515	4.3
69.03421	4.0
69.07082	4.5
79.05495	3.9
81.03403	2.2
81.07069	17.1
82.07384	1.9
85.02910	8.8
87.00832	4.4
90.99444	0.8
91.05469	1.3
93.07045	11.2
94.07367	1.0
95.08624	11.9
96.08907	1.2
97.02917	4.2
97.10167	3.1
98.20750	1.7
105.01882	13.6
107.08613	10.1
109.02896	2.1
109.09485	1.1
109.10174	13.3
110.10523	0.9
112.78376	0.7
121.10152	2.9
123.11723	75.1
127.03930	9.8
135.10698	1.7
135.11707	32.5
145.04990	5.5
147.11662	0.9
149.13274	25.3
159.02878	1.5
176.15292	0.8
205.19545	100.0
206.20047	0.8
223.20578	3.1
231.05003	8.1
249.06136	9.5
258.27618	0.8
280.69592	0.7
284.09787	5.7
308.26694	1.2
394.96094	0.8
433.81287	0.8
451.16132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1135
Annotation	5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide
Peak:m/z	Relative Intensity
50.74260	0.2
52.34343	0.2
54.69027	0.2
63.20176	0.2
65.49136	0.2
68.40894	0.2
69.27627	1.0
69.28052	0.7
69.31442	0.2
70.06543	0.2
72.08077	0.2
74.09666	0.4
81.03372	0.2
81.06976	0.3
85.02880	0.2
86.09693	0.2
91.05447	0.3
95.08557	0.2
98.21490	0.3
105.06990	0.3
107.04898	0.2
119.04900	0.3
123.11700	0.2
139.03741	0.2
142.73065	0.2
147.04341	0.9
153.01823	0.4
178.02570	0.2
241.05020	0.2
242.05679	1.5
253.05209	0.2
258.05325	1.1
269.04382	0.3
270.05231	8.2
273.04056	1.1
286.04630	1.3
287.05469	2.8
299.05392	0.5
301.03500	1.6
302.04108	2.2
305.97305	0.2
313.03360	0.6
315.04984	31.9
316.05765	3.2
331.08118	100.0
332.08508	0.8
507.11362	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	507.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16632	0.1
62.35296	0.1
71.53865	0.2
81.07018	0.1
84.61988	0.1
91.05450	0.1
95.04943	0.1
119.04862	0.2
125.09564	0.1
130.96358	0.1
137.05948	0.2
147.04387	0.3
151.07460	0.2
153.01776	0.4
163.03873	0.2
178.02594	0.4
183.02922	0.1
199.07637	0.2
242.05730	1.5
258.05182	1.5
267.66724	0.2
269.04358	0.2
270.05243	8.1
271.05817	0.2
273.03949	0.9
286.04651	1.4
287.05496	3.3
299.05469	0.5
301.03497	1.6
302.04202	2.1
313.03455	0.6
315.04980	31.1
316.05756	4.0
331.08112	100.0
332.08450	0.8
351.00598	0.2
487.33350	0.1
507.11343	5.0
507.18796	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	507.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
55.01868	2.0
55.05526	2.1
67.05486	5.9
69.07055	2.5
70.24567	4.4
70.88935	1.7
77.03924	1.8
79.05486	6.2
81.07044	6.8
83.04997	1.7
83.08617	1.6
91.05491	13.1
93.07030	7.6
95.01334	13.4
95.04977	3.9
95.08597	3.9
101.58843	1.5
102.04688	2.4
103.05474	13.2
105.03370	3.4
105.07045	5.5
107.04929	5.9
107.08588	4.1
109.06491	1.8
109.10159	2.5
115.05430	5.9
117.07002	2.3
118.04155	4.9
119.04990	2.7
119.08572	2.6
121.06560	9.0
121.10162	2.5
123.00790	47.5
127.07605	2.0
129.07005	2.4
130.04141	4.2
131.04918	16.4
131.08524	2.4
132.05696	12.7
133.02815	3.0
133.06448	5.5
135.04407	3.5
135.08089	1.9
135.11708	1.7
145.06483	35.4
146.07288	18.3
147.04474	3.1
147.08057	38.9
147.11684	2.5
149.05956	5.9
151.00259	1.9
152.01076	2.5
152.06197	8.4
153.01894	8.9
160.05214	4.5
161.02290	1.9
161.05960	6.0
163.03870	4.5
163.07532	3.2
165.07025	4.1
167.07018	6.7
169.06461	2.0
170.07304	3.1
171.08052	2.3
173.05997	13.6
176.04692	3.6
177.05540	7.8
179.06985	4.8
180.05698	7.1
180.07819	5.3
181.06479	2.7
182.07210	2.0
185.09726	3.4
191.03343	3.7
191.07025	18.6
192.07819	22.3
193.06810	1.5
193.08595	4.4
194.64708	1.6
195.08057	24.1
198.06749	3.0
199.07347	1.6
208.05243	5.2
209.04347	3.4
209.08034	1.7
210.06772	4.9
213.09099	4.7
223.07535	72.1
226.06250	5.8
227.12886	3.8
234.38286	2.2
236.04720	3.6
237.05498	4.3
241.08546	9.2
251.07051	20.8
253.04837	1.8
254.05826	6.0
265.05035	1.9
266.05734	4.5
269.08081	33.9
279.06549	8.2
281.17520	2.2
282.05231	8.2
297.07599	85.8
298.08054	2.1
299.09088	5.7
335.25656	2.5
477.15582	15.2
489.15479	100.0
490.15897	1.8
507.16461	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
54.84930	1.7
55.01868	3.6
55.05515	1.8
57.03436	12.0
59.05006	1.8
60.04519	3.3
61.02929	3.0
65.03931	2.4
65.46920	1.4
68.99780	2.5
69.03429	51.1
69.45900	8.9
71.04994	3.1
73.02917	4.3
79.05508	1.5
81.03423	17.5
83.04977	4.1
85.02908	64.9
87.00829	22.2
87.04472	15.7
91.05486	100.0
97.02895	56.8
99.04456	9.0
103.03986	1.7
105.01871	37.4
105.07034	2.7
107.04965	2.4
108.04417	1.3
109.02884	21.4
111.04408	3.4
114.05485	1.5
115.03944	24.6
117.05481	1.6
127.03922	45.5
129.01837	1.8
129.05487	2.2
131.08553	1.4
133.04980	18.0
139.03915	3.3
145.04976	21.1
145.06091	2.4
150.07637	19.2
151.03940	1.3
159.02892	6.3
171.08105	1.8
173.04556	1.9
175.07535	3.0
177.05481	3.8
183.02870	2.1
184.09689	1.7
189.03934	4.4
195.06499	2.8
199.07559	4.1
201.04033	2.3
205.05014	3.1
213.03954	4.5
217.08632	4.1
223.06033	3.6
223.26582	1.3
231.04973	16.7
235.09608	2.6
241.07043	5.6
249.06071	7.5
273.06012	2.7
275.69778	1.5
301.09164	2.1
309.05994	3.1
321.09689	4.1
327.07010	11.7
333.11829	1.4
339.10672	4.7
345.08157	21.3
363.09177	5.2
374.14502	3.3
462.22247	1.5
506.18454	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	506.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87015	0.3
53.03962	0.4
56.96563	0.3
61.02925	1.1
65.03957	0.8
69.03436	2.5
71.53043	0.6
73.02913	0.5
77.86120	0.3
81.03423	0.9
81.27325	0.3
82.40683	0.3
85.02908	10.2
86.09705	6.9
91.03993	0.5
91.05489	5.2
92.86770	0.3
95.04983	0.4
97.02896	3.4
99.04478	0.7
107.87391	0.4
109.02893	1.0
119.04947	16.0
123.04424	0.9
123.66058	0.3
127.03933	1.5
135.04242	0.3
139.07555	0.4
145.04970	3.3
146.08147	0.4
146.11798	4.5
147.04414	100.0
148.04764	0.7
163.06042	1.2
165.05481	47.9
167.07030	2.1
180.08693	0.9
182.08145	0.4
199.09706	1.4
212.04636	0.3
221.08179	0.4
231.06615	0.8
309.09579	0.9
344.13394	1.0
385.11237	2.1
444.48865	0.4
524.63214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.01875	1.4
55.05518	9.6
57.03435	0.8
57.07080	31.5
65.03947	1.0
67.05508	22.8
69.03429	1.5
69.07073	7.2
71.04995	1.1
71.08636	21.9
79.05499	10.1
81.03423	65.1
81.07062	21.2
81.15578	0.5
83.04990	2.7
83.08620	20.8
85.06531	1.0
85.10188	12.6
91.05480	13.4
92.05817	0.6
93.07049	7.5
95.04977	16.5
95.08611	21.2
97.02892	1.8
97.06536	0.9
97.10169	5.0
98.20782	1.9
99.11719	0.9
105.07040	8.5
107.04948	4.8
107.08611	2.6
109.06522	1.8
109.10158	11.2
109.10837	0.8
111.04435	1.2
111.08099	4.9
111.11743	1.1
115.05474	1.0
117.07017	1.7
119.04876	0.6
119.08594	7.9
121.06512	1.8
121.10136	3.8
123.04397	0.8
123.08079	1.2
123.11703	3.3
125.09642	0.8
125.13253	0.8
128.06242	0.6
129.07013	7.1
131.08577	5.9
133.06538	2.4
133.10130	3.0
137.09650	1.2
137.13281	1.5
142.06804	0.5
142.07808	2.2
145.10155	0.7
147.08073	2.2
147.11700	4.4
149.09639	2.9
151.14929	0.5
157.10126	6.0
157.48737	0.4
165.12819	1.2
175.11168	6.2
179.14403	0.5
193.12254	43.4
211.13162	0.6
213.12790	0.5
221.22632	0.9
231.13861	1.2
239.23712	7.6
249.14844	5.3
311.15884	0.5
358.04968	0.6
505.38934	100.0
506.39130	1.4
521.01416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
53.49298	0.8
55.01874	2.1
55.05514	9.8
57.03440	1.6
57.06798	1.4
57.07079	26.6
64.29850	0.9
67.05506	19.5
69.07072	8.7
70.60683	2.5
71.04991	1.3
71.08636	18.7
79.05498	10.9
81.03420	57.6
81.07059	24.0
83.04974	1.8
83.08624	20.1
85.06538	1.1
85.10182	9.8
91.05481	12.0
93.07055	9.1
95.04969	14.7
95.08607	21.3
95.09177	1.6
97.02917	2.0
97.06535	1.3
97.10177	6.9
99.11736	1.1
105.07040	9.2
107.04955	2.9
107.08591	3.8
109.06541	1.7
109.10160	10.3
111.04474	1.2
111.08074	4.7
111.11733	1.7
115.05497	0.9
117.07008	1.3
119.08591	7.4
121.06522	2.1
121.10172	4.7
123.08068	1.2
123.11742	3.2
124.44554	0.9
125.13273	1.2
129.07014	7.6
131.08582	5.5
133.06499	2.8
133.10139	2.6
135.11728	1.0
137.13298	2.4
142.07774	3.0
145.93185	1.0
147.08057	2.2
147.11711	3.6
149.09602	2.1
149.13283	2.1
151.14832	1.6
157.10150	3.5
159.11597	0.9
165.12740	1.1
175.11137	5.6
189.16440	1.1
193.10480	1.2
193.12247	22.5
237.22119	1.1
239.23666	8.7
249.14816	4.9
421.39615	1.0
435.85388	1.0
445.20218	3.8
446.21188	2.0
505.22382	9.6
505.38895	100.0
506.38977	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.5
53.03946	3.1
55.01870	1.1
55.05513	8.7
57.03432	1.2
57.07078	28.6
60.28560	0.5
64.53021	0.4
65.03934	1.2
67.05508	20.0
69.03435	0.9
69.07075	9.7
69.52438	2.8
71.04992	1.0
71.08636	22.1
79.05498	10.3
81.03422	64.8
81.07060	22.5
83.04998	2.2
83.08623	23.1
85.06527	0.9
85.10188	10.6
91.05484	12.0
93.07045	7.8
95.04971	16.7
95.08610	21.3
97.02898	1.7
97.06532	1.1
97.10174	6.4
98.20766	0.8
99.08073	0.8
99.11738	1.0
105.07036	9.5
107.04977	3.3
107.08595	2.3
109.06556	1.3
109.10159	10.2
111.04465	1.2
111.08082	5.2
111.11720	1.5
115.05457	1.1
115.30588	0.5
117.07033	1.4
119.04984	1.0
119.08578	8.2
120.91620	0.4
121.06528	1.6
121.10178	3.8
123.08054	1.2
123.11714	4.3
125.13279	1.1
128.67349	0.5
129.07013	7.1
131.08588	5.5
133.00801	0.5
133.06519	2.0
133.10147	2.8
135.11685	0.7
137.09613	0.9
137.13269	1.9
142.07770	1.8
145.10139	0.6
145.45370	0.5
147.08104	2.3
147.11693	4.0
149.09642	2.9
149.13263	0.9
151.14853	0.7
157.10104	5.2
159.11734	0.7
165.12813	1.2
175.11209	6.5
193.12251	26.3
195.13832	0.7
204.63376	0.5
231.13867	1.0
237.22186	0.7
239.23726	7.9
249.14899	5.1
390.55054	0.6
445.20233	1.2
446.20764	0.6
505.22922	1.9
505.38907	100.0
506.39386	0.8
513.71112	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92761	0.4
50.98312	0.4
53.03945	3.1
55.01870	1.3
55.05513	10.8
57.03440	1.3
57.07082	34.5
63.41238	0.4
64.16898	0.4
65.03951	1.2
65.90956	0.5
67.05511	21.5
69.03427	1.5
69.07077	10.5
69.07455	0.5
70.55651	1.6
71.05000	1.7
71.08237	1.0
71.08636	22.5
79.05497	11.5
81.03425	76.0
81.07063	25.4
82.03767	1.2
83.04994	2.5
83.08627	24.1
85.06548	0.9
85.10188	12.0
89.68931	0.5
90.99756	0.5
91.05489	17.1
93.07056	7.4
95.04980	16.5
95.05470	0.5
95.08616	25.2
96.05330	0.5
97.02907	2.4
97.06550	0.8
97.10169	7.8
99.08115	0.5
99.11749	0.6
105.07039	11.4
105.07691	0.8
107.04973	4.4
107.08595	3.0
109.06543	1.7
109.10172	10.2
111.04445	1.2
111.08090	5.4
111.11744	1.9
115.05478	0.5
117.07087	1.4
119.04937	1.1
119.08595	8.7
121.06538	1.9
121.10154	4.1
123.08100	0.8
123.11717	4.4
125.13300	1.6
128.06270	0.7
129.07010	7.3
131.08574	7.5
133.06500	2.9
133.10152	4.0
137.09653	1.1
137.13245	2.2
142.07767	2.7
145.10156	1.1
147.08084	2.1
147.11674	5.2
147.12672	0.5
149.09634	3.1
149.13364	0.6
151.14822	0.9
153.70410	0.4
157.10146	8.1
159.11816	0.6
165.00719	0.4
165.12732	0.9
175.11194	7.8
193.12262	28.2
203.14214	0.6
205.12256	0.5
221.22737	1.0
231.13823	0.8
239.23738	8.4
249.14847	6.7
268.07965	0.4
505.38925	100.0
506.39426	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96753	0.4
51.02381	0.6
53.03945	3.0
54.29933	0.3
55.01876	1.4
55.05264	0.8
55.05514	8.8
57.03435	1.1
57.07081	29.2
65.03943	1.0
67.05510	19.3
69.03438	1.1
69.07075	8.3
69.68661	0.4
70.08806	0.3
71.02397	0.7
71.04995	1.4
71.08637	22.1
78.83239	0.4
79.05502	9.9
81.03425	66.1
81.07065	21.3
83.04984	2.7
83.08627	22.6
85.06569	0.8
85.10190	11.7
88.05779	0.5
91.04908	0.5
91.05487	13.1
93.07043	5.9
95.04977	17.3
95.08616	20.5
97.02879	2.1
97.06575	0.7
97.10178	6.8
99.11753	0.6
101.55061	0.4
103.05455	0.6
105.07037	9.0
107.04976	4.2
107.08620	2.4
109.06555	1.4
109.10167	9.7
111.04395	0.8
111.08090	5.3
111.11736	1.0
115.05521	1.1
117.07073	1.0
119.04969	1.0
119.08591	8.8
121.06512	2.2
121.10139	2.7
123.08056	0.7
123.11726	3.9
125.09666	0.5
125.13295	0.8
129.07014	7.9
131.08583	5.3
133.06502	2.4
133.10152	3.0
135.11748	0.5
137.09676	1.2
137.13264	1.9
139.14806	0.6
141.07048	0.5
142.07826	1.8
145.10176	0.7
147.08018	2.0
147.11729	3.6
149.09650	2.7
151.14960	0.5
157.10136	7.0
165.12790	0.9
175.11212	6.8
193.12263	26.9
205.12219	0.6
221.22687	0.6
231.13892	0.8
239.23706	7.5
249.14870	5.9
403.19186	0.8
417.16748	0.9
431.18698	1.2
445.20297	5.0
446.21179	2.4
462.20361	0.5
505.22498	11.0
505.38950	100.0
506.39371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92051	2.4
55.05523	14.6
57.07061	8.8
59.03631	2.2
59.05005	18.0
67.05510	27.1
69.03452	2.4
69.06731	3.8
69.07075	48.0
69.29321	7.8
69.29730	13.8
71.04978	5.6
79.05495	14.1
81.03390	2.6
81.07059	100.0
83.08632	14.6
85.02888	2.9
85.06538	3.2
91.05470	11.9
93.07048	42.6
95.04959	5.2
95.08615	98.1
97.06526	9.8
97.10155	9.1
99.63606	2.5
100.89768	2.3
103.05471	2.7
105.07053	14.3
107.08597	42.1
109.06529	3.3
109.09469	4.5
109.10155	51.2
111.11704	11.0
119.08565	12.4
121.10142	31.2
123.08068	2.8
123.11707	36.9
125.09647	2.7
127.03878	2.5
133.10133	8.2
135.08119	2.3
135.11693	40.6
137.13271	39.3
139.11159	8.7
145.10083	4.6
147.11702	13.0
147.83319	2.8
149.13269	35.1
151.14801	4.4
153.12698	2.9
159.11659	4.7
161.13284	11.3
163.14825	9.3
173.13280	4.1
175.14841	8.3
177.16365	6.8
187.14842	7.0
189.16356	5.5
203.17915	9.4
204.18266	5.0
205.19437	8.2
215.17929	6.0
231.21025	13.6
245.22627	3.3
249.22208	5.4
258.83948	2.5
271.24280	17.7
277.25256	8.1
289.25262	37.4
295.26172	5.0
307.26306	34.0
325.27393	6.3
349.25275	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	505.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01870	1.5
55.05267	1.2
55.05514	13.4
57.03446	8.1
57.07058	1.4
59.04994	3.5
59.25489	0.7
63.70304	0.7
65.03936	2.6
67.05509	100.0
69.03417	1.1
69.07070	8.6
71.04977	3.4
71.54312	0.8
74.00584	0.8
79.05498	23.9
81.07064	28.6
83.04989	1.1
83.08624	7.7
85.06533	2.8
88.11185	0.8
91.05486	31.8
92.13258	0.8
93.06482	1.5
93.07051	27.9
95.04967	3.2
95.08605	16.7
97.06522	2.3
97.10176	2.7
99.08093	2.1
102.92092	0.7
105.07036	31.1
107.08601	16.7
109.06490	1.0
109.10162	64.4
111.08083	3.1
115.05472	0.8
117.07004	7.9
119.08590	31.2
121.10145	11.2
125.09636	2.2
128.06189	1.1
129.07019	5.0
129.22710	0.8
131.08578	10.8
133.10133	24.4
135.08023	1.0
135.11696	9.6
137.09607	2.3
142.07814	0.9
142.23647	0.8
143.08585	4.4
145.10136	11.7
147.11700	22.1
149.09608	1.0
149.13245	6.1
155.10654	6.1
156.96025	0.7
157.10153	6.0
159.11687	10.3
161.13269	19.2
163.11206	0.8
163.14807	2.9
171.11711	7.1
173.11740	17.0
173.13283	5.7
175.14828	7.8
177.12660	1.0
185.13300	4.8
187.14806	2.4
189.11263	1.9
189.12791	1.0
189.16394	0.9
199.14836	2.7
201.16379	1.0
213.16374	1.9
215.17969	1.2
217.19528	1.5
227.12781	5.7
229.14366	54.6
231.21144	4.4
241.19524	18.7
243.21303	1.0
259.20599	47.6
261.22156	2.4
277.21597	1.8
315.23169	4.4
333.24261	29.2
395.29504	1.9
413.30322	2.2
431.31396	1.2
487.34296	12.5
505.35080	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	505.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.3
55.01874	8.6
55.05513	35.6
56.37512	2.2
57.03426	13.0
57.07063	2.6
59.05016	4.4
60.85734	2.4
67.05509	67.0
68.09715	2.5
69.03419	7.7
69.07071	37.2
70.18404	5.9
70.18787	5.4
71.04989	9.1
79.05498	47.7
81.02991	4.1
81.03426	56.4
81.07058	57.0
82.91885	3.2
83.04969	9.8
83.08630	26.2
85.02899	6.9
85.06541	6.4
91.05491	40.7
93.07054	51.3
94.07333	2.7
95.04980	30.4
95.08611	37.5
97.02905	2.9
97.06555	13.8
97.10182	21.7
98.20779	2.6
103.05475	2.7
105.07037	34.6
107.04957	29.8
107.08604	29.5
109.02863	3.3
109.06544	11.9
109.10154	29.7
111.08068	5.6
115.05469	5.0
117.07019	16.3
119.08591	33.3
121.06527	27.8
121.10139	13.5
123.04401	3.4
123.08115	4.9
123.11710	6.2
125.09621	13.6
127.03882	4.5
128.06232	3.4
129.07036	14.7
131.04945	4.4
131.08585	23.2
133.06543	11.9
133.10130	14.6
135.08037	11.2
135.11720	22.1
137.09612	6.7
141.06972	5.5
143.08580	10.1
145.06508	24.3
145.10147	11.6
147.04375	7.8
147.08072	7.3
147.11685	11.5
149.09630	3.0
149.13266	2.8
149.18912	2.3
151.11159	2.5
153.09128	3.4
153.12692	4.8
155.08505	6.0
157.06467	3.0
157.10146	12.8
159.08054	5.9
159.11697	8.5
161.09642	7.3
161.13284	3.4
163.11209	5.6
165.12714	2.8
169.10143	4.2
171.08073	5.5
171.11681	7.7
173.09612	5.3
173.11813	3.3
173.13220	2.8
175.11185	6.9
181.10127	3.8
183.11743	4.8
185.09592	3.0
185.13283	5.0
187.11230	2.9
189.11215	8.3
193.12271	11.2
195.07993	2.6
195.11745	6.2
197.09622	3.2
197.13211	3.4
199.11150	3.5
203.14427	4.2
203.18044	3.9
205.12204	3.2
215.14372	3.2
217.14238	3.9
221.15407	16.3
227.12787	9.4
233.15392	6.0
243.13686	3.0
243.17456	4.5
245.15500	4.1
249.14835	5.7
259.13330	7.2
259.16833	4.4
261.18503	6.8
267.15906	25.9
271.16791	2.9
277.14462	5.4
277.17987	3.8
289.25290	3.5
295.19073	21.3
301.17914	5.4
307.26514	7.1
325.27283	4.3
351.22995	2.7
367.26382	5.2
369.24139	6.7
377.24692	8.5
385.27219	7.4
395.25894	30.0
413.26929	54.7
431.28067	28.2
443.28107	5.6
451.29071	2.6
461.29129	33.3
464.09412	3.5
469.29370	6.5
487.30679	100.0
505.21124	3.2
505.32324	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.01878	6.0
55.05516	33.9
57.03436	8.9
57.07093	3.3
61.02922	2.5
61.10740	2.3
67.05505	46.8
69.03426	7.3
69.07071	30.2
71.04991	5.0
71.08629	2.3
71.54533	4.2
79.05497	43.8
81.03424	46.0
81.07065	47.7
83.04977	9.6
83.08622	21.7
85.02918	2.7
85.06550	6.7
91.05482	35.7
93.07056	47.8
95.04962	19.1
95.08608	34.7
97.02903	4.2
97.06549	12.8
97.10196	17.4
97.30872	2.4
105.07022	29.1
107.04965	19.3
107.08605	29.8
109.06523	12.9
109.10167	10.3
111.04379	2.8
111.08096	6.8
115.05469	3.6
117.07034	18.4
119.04946	2.7
119.08598	24.5
121.06528	24.0
121.10157	11.6
123.04441	2.9
123.08060	8.0
123.11742	4.5
125.09618	16.1
129.07027	11.6
131.04933	6.4
131.08591	21.1
133.06500	8.9
133.10106	18.1
135.08078	7.2
135.11697	18.7
137.05937	3.1
137.09607	5.0
143.08548	9.5
145.06520	20.5
145.10129	13.8
147.04437	4.4
147.08049	7.5
147.11700	11.7
149.09662	6.5
149.13248	4.7
155.08597	3.8
157.10155	9.9
159.08092	5.4
159.11705	7.1
161.09625	3.1
163.11200	6.0
165.12785	3.1
167.08609	3.3
169.10139	4.5
171.08038	5.5
171.11726	6.7
173.09637	6.0
175.11218	6.2
175.14819	4.1
177.12851	3.6
183.11807	5.3
185.09663	3.3
185.13287	4.8
187.14774	3.5
189.11200	8.1
193.12239	14.0
195.11845	4.3
201.16469	3.1
213.12813	2.8
215.14215	3.2
217.14331	5.9
221.15347	16.4
227.12785	9.0
233.15457	4.6
240.57584	2.6
245.15381	3.0
249.15038	3.9
255.15906	5.3
261.18625	7.7
267.15903	28.6
277.18024	4.2
295.19055	18.6
367.26239	6.6
369.24316	7.1
377.24915	12.7
385.27414	10.7
395.25748	28.5
413.26883	69.4
431.27902	26.0
443.27802	8.4
461.28824	27.4
469.29758	7.0
487.30579	100.0
505.31876	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	505.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.7
55.01881	3.4
55.05519	24.2
57.03436	4.6
57.07077	5.2
59.04994	2.1
64.07069	2.0
65.03949	3.5
67.05514	59.4
68.05821	2.5
69.03449	9.3
69.07077	38.6
69.35121	16.0
71.05002	10.3
76.02225	3.4
76.21385	2.1
76.82394	1.8
79.05505	39.1
81.03432	5.1
81.07069	100.0
83.05006	10.4
83.08617	12.5
85.02918	13.7
85.06549	10.8
91.05488	22.2
93.07059	77.1
95.04984	12.3
95.08620	73.2
97.02911	4.2
97.06545	10.0
97.10183	10.6
99.04478	1.9
99.08099	11.2
105.01911	2.5
105.07055	20.8
107.04997	2.5
107.08610	45.5
109.06518	5.5
109.10172	44.1
109.70308	1.8
111.04482	9.1
111.08099	10.2
111.11731	4.9
117.07024	6.0
119.08586	21.6
121.02906	2.1
121.10159	54.6
123.08098	3.1
123.11729	26.8
125.09664	6.1
129.05531	3.6
129.07013	2.3
131.08589	11.1
133.10136	16.2
135.08104	3.1
135.11711	35.8
137.09659	3.3
137.13245	10.5
139.03935	5.2
139.11206	8.2
143.08548	3.0
144.01181	2.2
145.06172	2.4
145.10167	8.7
147.11719	13.3
148.50357	1.7
149.09633	2.2
149.13272	16.7
151.11183	8.5
151.14903	2.7
153.12721	3.9
155.10674	3.8
157.10056	2.8
159.11726	8.4
161.12181	2.1
161.13257	11.2
162.02223	3.5
163.11209	6.2
163.14861	3.8
165.12784	5.9
167.14365	3.0
169.12225	4.1
171.11716	3.2
173.11848	2.7
173.13254	3.4
175.14845	5.6
177.12697	2.2
177.16418	5.4
179.05005	2.2
179.14342	7.2
181.12306	7.0
185.11629	2.2
185.13239	3.2
187.14897	2.5
189.11284	2.7
189.16350	2.9
191.14307	2.1
191.17995	2.8
193.15897	2.7
195.13864	4.1
195.62915	1.9
197.15396	3.1
201.16373	3.2
203.12830	4.6
203.17963	8.5
221.18983	2.8
241.19591	4.6
259.11139	4.4
259.20584	16.1
260.11490	2.7
271.24191	3.4
277.21695	48.7
277.24857	4.4
289.25247	9.8
295.22751	29.4
295.25919	3.9
307.26352	14.6
313.23810	3.5
325.27335	4.8
359.17444	2.5
376.19836	1.9
405.26285	2.2
433.26129	12.2
451.27164	15.2
469.27917	10.7
487.29501	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	505.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.01871	3.7
55.05519	25.5
57.03431	5.1
57.07073	7.0
58.19077	1.8
58.99602	2.2
62.71061	1.7
65.03944	4.0
67.05512	64.9
69.03439	9.8
69.06691	1.9
69.07073	39.8
69.64788	1.7
71.04998	9.8
71.53604	2.6
73.11564	1.8
76.02229	4.1
77.26340	1.8
77.79012	1.8
79.05499	38.3
79.18145	1.9
81.03419	3.1
81.07064	100.0
83.04988	10.2
83.08626	16.8
84.04501	3.5
85.02912	13.0
85.04951	1.8
85.06535	10.2
87.00826	3.0
91.05489	24.3
93.03422	2.0
93.07051	72.8
95.04961	14.4
95.08615	74.5
97.02923	3.3
97.06523	9.2
97.10195	14.1
99.08100	13.3
105.07046	25.7
107.08604	47.5
109.02959	2.3
109.06525	5.6
109.10167	45.7
109.34475	1.9
111.04443	8.3
111.08075	6.8
111.11726	5.5
113.09642	2.7
116.01702	2.6
117.06982	3.4
119.08578	18.3
121.06548	4.7
121.10154	63.5
123.08051	4.6
123.11711	29.9
125.09650	7.9
125.13213	2.3
127.07567	2.5
129.05458	3.2
130.06882	2.4
130.08646	1.9
131.08562	10.2
133.10138	19.0
135.08017	1.8
135.11702	38.7
137.09656	4.4
137.13268	12.8
139.03925	4.9
139.11194	8.6
143.08577	3.0
145.10130	10.5
147.04436	2.1
147.11726	11.1
149.09616	3.5
149.13252	15.7
151.11200	6.4
151.14844	3.4
153.12750	6.2
155.10648	4.5
157.10182	3.7
159.11722	8.1
161.13274	9.7
162.02159	4.0
163.11217	7.3
163.14854	5.9
165.12749	5.4
167.10637	3.3
167.14360	2.1
169.12256	3.5
171.11658	5.2
173.11749	3.1
173.13211	4.7
175.14857	5.9
177.12733	3.4
177.16385	4.7
179.04831	2.9
179.14273	5.2
181.12215	7.7
185.13210	2.5
187.14862	2.4
189.11240	2.4
189.16420	3.1
191.17961	2.9
193.15945	2.4
195.13725	2.0
199.14934	2.8
203.12755	5.6
203.17972	4.9
215.17972	3.5
221.18906	2.1
241.19528	5.5
259.11157	3.7
259.20685	14.9
260.11511	4.6
271.24054	2.5
277.21655	55.7
277.24783	3.0
289.25455	10.1
295.22726	27.8
295.25980	3.7
307.26358	10.4
308.79895	2.0
313.23889	4.6
325.27441	5.4
329.15952	2.4
332.12970	2.3
359.17050	3.5
423.27402	5.0
430.20721	2.5
433.25980	10.3
451.26904	21.2
469.27997	10.0
487.28812	5.3
505.17059	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	505.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	28.7
55.05492	14.6
57.03434	12.0
57.06861	7.2
57.07085	72.8
61.02926	8.4
67.05505	26.9
69.03429	11.8
69.07070	34.9
69.21565	75.9
73.02922	7.8
74.39060	7.0
79.05515	13.7
79.23966	7.1
81.03439	20.2
81.07067	50.2
83.08628	8.5
85.02902	44.9
85.06543	20.8
91.05493	14.4
93.07054	23.1
95.05025	9.8
95.08607	37.0
97.02899	20.8
97.06544	10.1
97.10177	10.1
105.07043	19.5
107.08607	20.7
109.02867	8.9
109.06516	13.6
109.10164	28.5
119.08620	16.7
121.02879	14.1
121.10098	16.2
123.11753	10.5
131.08594	9.0
135.04460	9.7
135.11687	22.7
137.05974	20.7
145.10152	11.8
147.04420	14.8
147.11679	17.1
149.13228	12.9
153.12738	10.1
159.08015	13.2
160.65961	8.4
161.05984	11.1
161.13234	12.9
163.07524	8.2
169.06558	13.3
171.04454	11.1
171.07990	12.0
175.07568	7.5
176.90453	7.6
183.08163	10.2
187.03943	9.5
187.07585	14.3
189.09131	15.2
199.07549	13.9
201.05489	20.5
201.09213	20.8
201.30560	8.0
203.07019	9.9
203.17972	8.0
204.18317	16.6
205.08607	13.2
209.09570	11.1
211.07680	13.7
213.05388	9.6
213.09103	13.9
215.07037	22.4
215.10692	9.5
216.07823	13.9
217.04948	10.2
217.08588	57.0
225.08960	9.2
227.10689	12.5
229.05034	23.4
229.08507	47.6
235.09628	22.5
239.07092	11.8
239.10861	11.2
241.04930	14.3
241.08647	28.0
242.09331	9.0
243.06577	13.8
243.10257	29.8
245.08099	28.7
247.09671	26.4
255.10225	29.0
257.07999	10.4
258.08713	7.6
259.09711	30.4
263.09164	19.9
265.08337	8.2
265.10852	16.5
267.10205	20.0
269.07825	8.2
271.09711	59.5
273.11200	13.1
277.10739	19.0
281.08255	10.1
283.06677	12.6
283.09601	39.9
285.11285	22.0
289.10760	69.4
295.09717	30.1
295.26343	15.1
297.11255	14.2
299.09131	15.8
301.10651	76.4
307.26437	26.4
309.11194	17.1
313.10751	66.9
317.10336	15.7
319.11804	89.5
325.10611	19.1
325.27371	26.6
327.12054	9.1
331.11798	100.0
335.11292	32.5
337.13016	94.9
343.11768	39.5
349.13312	57.1
351.12231	8.5
355.11719	72.5
361.12888	11.1
367.14270	79.9
373.12814	75.2
379.11838	15.8
385.12839	78.7
391.13840	53.5
397.12671	55.3
403.13977	79.1
415.13837	70.7
421.14966	29.0
433.14941	86.4
451.16125	81.6
469.17017	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	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47487	0.9
53.03945	4.3
53.45895	0.9
55.01859	4.1
55.05296	0.9
55.05513	9.3
57.03423	4.3
57.07074	1.1
58.99585	1.5
59.04988	1.8
61.02911	2.1
65.03946	1.1
67.05510	13.7
68.99790	1.2
69.03130	1.0
69.03434	8.8
69.07072	12.4
69.80898	3.5
71.04984	2.4
73.02925	2.9
76.02216	3.2
76.49811	0.9
79.05502	8.8
79.35871	0.9
81.03423	9.4
81.07066	35.7
83.04959	1.6
83.08610	3.7
84.04494	3.6
85.02909	25.6
85.06499	1.2
86.99086	1.4
87.00835	9.5
87.02696	1.4
91.03939	1.1
91.05471	8.7
93.07053	16.4
95.04986	1.2
95.08615	40.8
97.02902	15.1
97.06541	3.7
97.10148	2.2
99.04472	5.9
99.08105	5.4
105.01875	15.9
105.07037	31.6
107.07983	1.4
107.08607	19.0
109.02890	9.8
109.06490	2.4
109.10166	27.4
111.11700	1.3
116.01686	4.9
117.01859	1.2
117.07034	1.3
119.08588	40.2
119.40118	1.0
121.10172	14.4
123.08066	1.0
123.11720	24.0
127.03923	24.1
129.01880	1.0
130.05051	1.5
131.08612	1.3
133.10143	21.9
135.11710	5.4
137.09579	1.0
137.13263	4.6
139.11179	1.6
141.95804	1.0
144.01152	2.1
145.04982	11.3
145.06044	1.8
145.10106	2.2
147.11703	38.8
149.13213	5.6
151.14885	1.9
156.08377	1.8
159.02901	6.7
159.11681	2.5
161.13255	12.5
162.02248	9.3
163.14799	6.8
165.12796	2.0
175.14848	2.9
177.16521	1.0
179.04820	3.1
179.14337	3.8
197.15381	2.8
201.16196	1.3
203.17972	100.0
204.18465	1.0
205.19510	1.2
216.06726	1.2
221.19035	13.6
231.05028	7.7
241.11220	1.1
249.06009	2.1
255.14110	4.6
259.11118	16.8
284.09799	1.5
307.26166	1.1
331.13150	2.8
357.18610	1.3
358.17096	1.7
375.19260	3.2
429.20596	1.4
451.23209	1.8
504.18011	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34329	1.0
52.41341	1.0
53.03928	1.4
55.01881	1.3
55.05509	2.0
57.03427	1.1
67.05516	6.2
67.67963	1.1
69.03434	7.2
69.07054	2.4
70.59046	1.4
70.59383	2.2
72.00902	1.1
72.94097	1.0
79.05487	2.8
81.03419	3.8
81.07057	11.4
82.89575	1.0
85.02909	23.1
87.00837	16.2
91.05490	4.8
93.07059	6.3
95.08614	27.3
97.02896	5.1
99.04441	2.1
105.01875	30.5
105.07030	11.9
107.08622	6.7
109.02878	5.0
109.09468	2.0
109.10155	21.7
111.00341	1.0
117.06960	1.1
119.08591	18.3
121.10149	6.4
121.97472	0.9
123.11716	12.9
127.03922	13.5
133.10156	7.2
135.11705	2.7
145.04942	6.0
145.10144	1.9
147.11687	21.7
161.13289	4.0
203.17967	100.0
217.72379	1.2
218.40970	1.0
221.19025	5.0
231.04958	6.7
249.06061	16.3
253.55923	1.0
451.23471	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01878	4.1
55.05507	4.4
55.67463	1.3
57.03426	1.9
60.08091	1.1
61.02909	1.4
67.05515	6.4
69.03135	1.2
69.03450	14.9
69.07069	5.3
70.93240	2.4
71.04985	2.5
73.02917	2.2
76.02229	2.1
77.62440	1.2
79.05493	4.5
81.03426	10.1
81.07066	15.7
85.02918	33.0
87.00845	16.1
91.05498	9.1
93.07066	8.9
95.08621	30.6
97.02908	16.9
97.06518	1.9
97.10152	2.0
99.04465	4.5
105.01884	30.7
105.07048	20.2
107.08614	8.8
109.02905	12.4
109.10179	22.0
117.06956	1.2
119.08609	25.3
121.10185	8.2
123.04465	1.2
123.11753	11.9
127.03942	27.1
131.08592	2.1
133.10176	12.6
135.11719	4.1
137.09692	1.3
145.05008	13.9
145.10161	2.2
147.11710	33.9
149.13242	2.2
151.14854	1.2
159.02919	7.0
159.11688	1.6
161.13277	9.1
175.14853	2.9
203.17990	100.0
204.18233	1.4
205.19528	2.4
221.19032	17.7
224.60338	1.1
231.05017	11.6
242.35303	1.4
244.15582	1.5
249.06087	6.3
291.77341	1.2
308.09177	3.2
344.66196	1.2
378.17935	1.2
425.50360	1.3
433.22119	2.0
451.23145	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	502.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	1.5
55.05505	5.3
57.03440	2.2
57.07078	1.9
61.02926	2.3
67.05507	4.9
69.03438	12.3
69.07063	5.5
69.40523	6.7
69.40929	3.1
71.04994	3.6
71.08630	1.4
73.23737	1.4
79.05499	5.8
81.03438	6.8
81.07068	7.4
82.07387	1.5
83.01309	1.5
83.04979	2.5
83.08619	2.7
84.04494	2.4
85.02913	27.6
85.06554	1.9
87.00830	13.9
87.08105	1.9
91.05492	15.1
93.07037	5.6
95.04976	1.5
95.08620	7.4
96.08978	1.7
97.02905	11.2
97.10178	3.6
98.20808	3.3
99.04471	2.7
99.08098	40.2
105.01874	39.5
105.07041	19.8
107.08595	9.8
109.02885	8.3
109.10169	5.4
114.09180	1.9
115.05431	2.3
117.06268	1.5
117.07036	23.3
119.08588	16.9
121.10136	9.9
123.11674	1.6
125.09638	3.4
127.03924	22.6
130.05037	8.0
131.08577	10.5
133.10159	12.8
135.08002	1.4
135.11687	3.5
137.09622	2.1
139.03893	2.7
143.08482	1.4
145.04987	9.8
145.10136	27.2
147.11729	7.2
149.09627	2.1
157.10138	2.8
159.02914	1.9
159.11696	49.9
160.09703	5.8
160.11932	1.3
161.13284	10.4
163.11165	3.0
170.35551	1.4
171.11661	1.6
173.13289	4.9
175.14845	12.2
177.12811	4.1
177.16397	8.6
191.14430	2.1
196.44952	1.4
201.16397	60.9
219.17453	100.0
231.04971	14.0
249.06067	13.4
263.81619	1.5
284.09695	4.2
438.33670	1.7
439.95496	1.5
448.28195	2.4
466.28339	2.2
502.22415	1.4
502.29434	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	502.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01884	1.4
55.05508	3.6
57.07076	2.1
64.45103	1.3
67.05504	3.4
69.03435	12.2
69.07079	7.2
70.06573	1.8
70.07368	5.8
71.04999	4.1
72.93094	1.2
73.02940	2.0
79.05479	4.2
81.03432	7.6
81.07066	8.2
83.08628	1.6
85.02915	32.8
85.06548	2.4
87.00829	11.2
87.08128	1.8
91.05490	15.0
93.07053	8.8
95.04963	2.7
95.08617	9.2
96.21416	1.4
97.02901	11.8
97.06540	3.2
97.10161	4.5
98.97603	1.6
99.04471	3.0
99.08096	38.9
105.01876	36.9
105.07049	14.6
107.04957	1.6
107.08609	8.5
109.02892	9.9
109.06531	1.4
109.10162	5.7
113.06040	1.6
117.07028	22.9
119.08605	17.9
121.10148	9.4
123.04405	2.7
123.11694	1.5
125.09620	2.8
127.03933	27.1
130.04984	4.6
131.08583	12.5
133.10132	11.2
135.11739	2.3
139.03935	3.1
140.04236	2.1
143.10660	1.8
145.04987	12.8
145.10136	30.7
147.04413	2.4
147.11656	6.7
149.09616	1.9
157.10141	3.1
159.11699	54.5
160.09726	2.7
161.13263	11.3
163.11230	2.7
173.13274	5.3
175.14835	12.5
177.12779	4.7
177.16412	12.3
181.12157	1.3
191.14375	2.2
201.16391	56.1
219.17450	100.0
227.65178	1.4
231.05000	11.6
248.10107	1.5
249.06096	12.5
262.89777	1.3
284.09656	3.5
286.67487	1.3
319.34094	1.2
336.29321	1.2
404.22134	1.5
466.28015	1.4
502.29434	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	501.2487
Annotation	Heteroclitin A
Peak:m/z	Relative Intensity
50.38579	1.1
53.03939	3.2
55.01870	1.8
55.05517	16.6
57.07070	5.3
59.04987	1.6
60.46537	1.2
60.57681	1.0
64.88247	1.1
65.03919	1.3
67.05513	12.5
69.03412	1.5
69.07072	16.1
70.18443	5.0
71.04996	1.8
79.05505	8.4
81.03453	2.9
81.07061	17.4
83.05001	2.0
83.08617	10.3
85.02909	1.9
85.06544	3.1
91.05474	6.7
93.03424	1.6
93.07053	11.2
95.04961	3.2
95.08611	29.5
97.02920	1.5
97.10162	13.9
99.08085	5.2
105.07018	8.2
107.04990	7.0
107.08598	17.5
109.02882	4.3
109.06542	1.7
109.10152	20.8
111.11768	1.4
113.09616	2.0
117.07033	2.6
119.08578	7.2
121.02844	2.3
121.06526	4.2
121.10143	22.3
123.04423	6.1
123.08080	2.5
123.11708	11.4
125.09618	2.5
128.06261	2.0
129.07004	1.6
130.07800	1.1
131.04887	1.9
131.08572	3.8
133.02895	1.7
133.06470	2.5
133.10144	5.0
135.04414	13.3
135.08041	4.3
135.11661	7.0
137.06007	1.4
137.09570	1.2
137.13254	5.5
139.03906	100.0
143.08604	1.3
145.06384	1.4
145.10191	1.6
147.04428	2.9
147.08069	2.4
147.11684	1.2
149.05972	7.7
149.09541	2.9
149.13257	2.9
151.02744	2.5
151.03911	36.2
151.14796	6.6
153.01830	1.2
153.05466	8.7
159.04424	4.2
159.08095	1.7
159.11688	1.7
159.31471	1.3
161.06017	4.1
161.09639	2.2
163.03914	44.5
163.07527	10.5
163.11249	1.3
163.14987	1.2
165.05481	13.6
165.16444	1.6
167.07166	1.8
169.04988	4.3
171.08061	1.6
173.09544	2.2
175.03943	2.9
175.07552	3.7
175.14749	5.7
177.05476	19.3
177.09062	3.4
177.16389	25.6
177.17851	2.0
179.07040	4.2
181.04951	15.8
185.06059	1.7
187.07590	3.7
187.11089	1.7
189.05460	8.9
189.09048	3.4
191.07013	10.8
193.04967	2.6
193.08606	2.9
193.16129	1.6
195.06567	6.4
195.17448	2.2
201.05414	1.6
201.09091	8.3
203.07066	3.8
205.05028	1.8
205.08595	15.7
207.10214	4.0
215.10683	1.4
217.08652	12.8
217.12291	1.3
219.06792	1.4
219.10172	18.2
221.11790	2.1
223.06018	2.8
227.10704	3.1
231.10159	13.5
233.11690	6.5
241.12169	6.3
245.11697	10.5
247.13313	3.0
257.15430	1.5
259.13306	19.6
277.14438	1.4
279.17642	1.7
289.06995	2.4
297.18472	6.1
301.07025	7.1
307.08057	2.2
315.19556	84.1
319.08154	25.2
327.19662	2.8
333.09827	3.7
333.20602	93.6
345.20673	2.5
351.05344	1.4
355.11969	1.5
357.09854	5.6
369.13467	1.5
373.12729	3.4
385.12643	2.3
387.14426	7.1
399.14429	1.6
403.24930	2.7
413.16309	1.6
427.17587	5.0
465.22632	3.3
483.23843	20.3
501.24802	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	501.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
52.13238	0.2
52.35734	0.2
53.03941	0.4
55.01877	0.6
55.05510	0.8
60.31181	0.2
65.03943	0.6
67.05511	2.4
68.99786	0.8
69.02206	0.2
69.03423	0.4
69.07068	0.7
69.97200	1.2
70.13486	0.2
77.03932	1.0
79.05501	1.0
81.03411	0.5
81.07063	2.8
83.04984	0.4
83.08610	0.7
85.02897	0.4
85.06548	0.3
89.06046	0.7
91.05490	1.3
93.03387	0.4
93.07046	1.4
95.04980	1.4
95.08603	0.9
97.02881	0.5
97.06510	0.5
97.10188	0.6
105.03391	1.4
105.07035	1.3
107.04981	0.3
107.08601	0.9
109.06499	0.4
109.10157	0.5
111.00822	0.4
111.04469	1.9
117.07066	0.3
119.04972	0.3
119.08549	1.3
121.02919	0.2
121.10140	1.0
123.04439	100.0
123.11717	0.8
124.04766	0.3
127.03920	0.3
131.08583	0.4
133.08600	0.3
133.10117	0.4
135.04402	0.8
135.11674	0.3
139.03912	55.5
140.04167	0.3
143.08502	0.3
145.02873	0.2
145.06523	0.2
147.04424	3.3
147.11702	1.5
151.03922	7.2
153.81552	0.3
157.10126	0.3
159.11711	0.4
161.05989	0.5
163.03935	1.6
163.07561	0.5
165.05492	0.8
165.12778	0.8
189.05551	0.5
201.05692	0.2
203.07310	0.3
204.46498	0.2
235.09720	0.5
255.06635	0.2
271.06064	0.3
273.07590	11.0
291.08624	0.4
303.23050	0.3
333.20596	0.3
339.19049	0.3
388.27908	0.3
465.19708	0.3
501.28699	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66899	0.2
65.03939	0.9
69.03424	0.8
69.33199	1.9
75.71554	0.2
85.02939	0.4
86.09726	0.5
91.05492	7.3
97.02888	0.3
98.26162	0.2
113.54999	0.3
119.04953	20.4
122.34477	0.2
127.03944	0.7
137.05975	1.3
138.06323	0.8
139.03902	0.3
146.11810	0.3
147.04420	100.0
148.04733	0.3
152.07033	0.3
157.86844	0.2
165.05469	0.4
187.73450	0.2
188.71681	0.3
201.05652	0.2
272.55118	0.2
278.53467	0.2
291.08798	0.5
303.13354	0.6
309.06516	0.2
309.09476	1.1
321.14722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	2.0
64.13654	0.5
65.03934	0.8
69.03429	0.9
71.52783	0.7
85.02901	0.8
89.03896	0.4
91.05484	6.6
93.39082	0.3
97.02907	0.6
98.97592	4.9
110.97584	1.7
112.99166	0.5
113.29279	0.4
116.98608	1.3
119.04946	19.5
127.03907	0.8
128.98598	0.8
134.99634	0.4
135.04367	0.7
137.71771	0.4
139.03926	2.0
143.00180	0.7
145.02870	1.1
147.04413	100.0
148.04669	0.7
158.99634	0.9
161.01196	0.6
163.03949	4.0
170.99571	0.7
173.51764	0.4
177.00693	1.1
182.99664	0.5
189.04382	0.8
193.03741	0.4
201.00682	1.1
207.05501	0.5
219.01775	3.2
237.02870	4.6
267.11255	0.8
285.12173	1.1
289.47635	0.4
291.07492	2.5
303.13214	1.9
309.08582	6.5
321.14511	1.9
368.95569	0.4
389.56573	0.4
403.09198	1.2
421.10364	0.7
465.09268	2.4
483.10361	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	31.8
57.07076	10.8
64.00509	0.7
67.05505	2.8
69.07074	20.5
69.22417	4.5
69.22837	3.5
71.08641	1.9
73.06551	3.5
73.93360	0.8
79.05508	1.0
81.07065	8.0
83.08625	66.8
87.04469	3.4
89.06039	100.0
91.07578	1.2
93.07034	1.4
95.08611	4.1
97.10180	20.5
98.21520	1.7
105.07031	1.7
107.07078	4.7
109.10178	0.9
117.09220	1.0
119.08624	1.6
121.10197	0.9
123.04440	10.7
130.08640	2.4
131.07053	1.3
133.08611	57.7
139.03915	8.0
151.03918	1.3
151.09618	4.3
157.15906	5.0
164.43567	0.9
177.11227	20.4
177.12715	1.7
195.12274	2.9
201.18529	2.6
221.13872	4.5
227.20091	1.5
239.14890	3.3
245.21184	8.5
265.16434	1.0
273.07480	1.6
283.17435	3.2
289.23730	5.2
327.20108	13.8
333.26376	2.6
351.27444	1.3
395.29825	1.4
421.31833	1.0
439.32675	1.9
447.17966	1.0
449.32193	0.9
457.42337	0.8
465.34415	4.9
483.35324	36.4
500.30859	1.0
500.37930	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	3.0
53.03940	6.7
55.01872	5.7
55.05515	34.5
55.79023	3.1
57.03439	22.0
57.07080	6.0
61.02933	61.1
67.05510	76.3
69.03435	27.4
69.07078	31.5
71.01370	4.5
71.05016	4.0
71.08620	2.9
71.53253	3.0
72.68583	2.7
73.02921	24.8
79.05499	25.1
81.03430	20.2
81.07066	82.0
83.05016	3.5
83.08627	19.0
85.02914	54.3
85.03390	5.8
86.09701	4.0
90.98028	3.2
91.03976	32.9
91.05481	24.3
93.07057	28.9
95.04947	5.1
95.08620	55.5
97.02903	54.7
97.06548	6.6
97.10188	12.2
99.04462	10.6
101.02390	14.9
103.03949	8.8
104.10755	7.1
105.07030	15.7
105.11129	4.8
107.08607	15.4
109.02899	8.3
109.06530	5.8
109.10163	22.2
110.89520	3.0
111.08106	6.2
111.11807	2.9
112.71643	3.0
119.08609	9.9
121.10153	17.0
123.11753	15.9
123.24514	3.0
127.03927	20.3
129.05518	3.6
129.06950	3.0
131.08540	5.8
133.10139	15.0
135.11716	9.7
137.13322	5.1
145.05005	7.7
145.10150	4.5
147.11693	8.7
149.13281	9.1
151.14856	3.8
153.12711	3.5
159.06512	4.0
161.13321	6.4
163.14857	5.0
171.08168	3.1
175.14877	5.1
183.06558	3.9
189.16440	3.6
214.20683	3.1
245.22678	10.6
261.22238	3.1
263.23749	26.2
269.17468	4.1
275.23730	3.0
303.06232	3.2
337.27399	100.0
365.27026	5.7
371.25818	5.6
387.48145	3.0
394.65640	3.2
445.29184	3.4
463.31079	4.3
464.30811	5.7
481.31589	7.0
499.32632	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	499.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.8
55.01874	4.9
55.05260	3.6
55.05516	33.0
55.70955	2.5
57.03440	25.8
57.07076	6.6
61.02930	55.3
65.03929	3.3
67.05509	82.4
69.03434	31.1
69.07074	31.4
70.25072	5.6
70.25471	5.1
71.01337	3.1
71.04992	5.7
71.08638	2.7
73.02925	23.7
79.05499	27.3
81.03428	19.1
81.07062	100.0
83.04984	5.4
83.08632	23.3
85.02914	53.1
85.06546	4.9
87.04443	2.8
91.03960	29.8
91.05487	23.9
91.67141	2.7
93.07050	36.1
95.04964	5.6
95.08614	73.7
97.02892	50.0
97.06534	9.8
97.10156	12.0
99.04460	10.2
99.08107	3.3
101.02383	9.4
103.03927	7.9
105.07034	17.2
107.08586	19.6
109.02883	10.6
109.10167	27.9
111.08080	3.5
111.11700	3.4
113.09643	2.8
115.03926	7.0
117.07042	6.9
119.08563	15.0
121.10170	16.3
123.11708	13.0
127.03926	13.8
129.05450	5.9
131.08588	6.8
133.10126	16.1
135.11696	8.1
137.13228	6.7
137.71873	2.3
143.08566	3.1
145.04953	6.4
145.10133	5.7
147.11703	13.4
149.13231	4.5
151.11227	3.5
159.11656	4.5
161.13293	5.7
163.14868	8.3
171.11720	3.1
173.13304	2.9
175.14848	7.5
185.13176	4.2
189.16278	2.6
199.14868	3.2
201.07658	5.4
231.17923	2.5
245.22743	11.2
261.22214	3.4
263.23746	22.9
269.17493	2.9
270.17905	3.2
275.23621	3.2
337.27402	84.1
365.26736	4.6
371.25876	5.5
445.29700	5.8
463.30505	3.3
464.31094	13.9
481.31592	5.8
499.32611	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2332
Annotation	Garcidepsidone C
Peak:m/z	Relative Intensity
53.00306	0.8
53.03939	1.7
55.01869	2.9
55.05509	3.0
57.07082	1.5
65.03932	1.8
67.05501	5.0
68.99783	1.1
69.03433	10.5
69.07078	6.6
70.81473	2.1
72.43988	0.8
77.03926	1.1
79.05490	6.7
80.77780	0.7
81.03429	1.5
81.07061	11.4
82.86568	0.9
83.04990	1.4
83.08607	2.2
85.02923	0.9
91.05482	8.1
93.03411	0.9
93.07050	11.5
95.04990	3.8
95.08608	15.4
97.02897	1.7
97.06533	2.4
97.10152	1.0
98.97587	1.2
99.00813	0.9
103.05441	1.2
105.07031	10.4
107.04956	5.0
107.08604	14.9
109.02881	2.7
109.06518	2.4
109.10159	7.1
111.04440	3.6
111.11707	1.5
117.07049	0.9
119.04950	1.4
119.08592	10.1
121.02885	1.2
121.06507	7.6
121.10156	10.4
123.04438	4.3
123.08053	1.8
123.11710	5.8
125.06031	1.0
125.09634	1.0
127.03871	1.5
131.04926	1.4
131.08568	2.8
133.02870	1.8
133.10141	27.9
135.04410	7.6
135.08096	1.4
135.11713	12.7
137.05968	2.2
137.09644	2.4
137.13237	4.5
139.03911	100.0
139.11188	2.9
141.05470	2.2
142.23436	0.9
143.08597	1.4
145.02791	1.4
145.10168	1.8
147.04413	2.7
147.07990	1.0
147.11717	5.2
149.05971	4.7
149.09663	1.2
149.13274	8.6
151.03906	13.4
153.01793	1.1
153.05482	7.7
155.08517	1.1
157.10150	2.3
159.04407	3.7
159.11725	1.6
161.05949	1.7
161.09673	1.2
163.03915	29.1
163.07542	1.8
165.05486	95.2
167.07013	3.2
169.04977	4.0
169.10152	0.8
169.61404	0.8
171.11703	0.9
173.13304	4.9
175.03935	0.9
175.07524	3.1
175.11221	1.1
175.14839	18.1
177.05470	21.4
179.03378	0.7
179.07051	5.7
181.04973	16.8
187.07541	1.3
187.14809	1.1
189.05457	10.6
191.07057	8.4
193.08617	33.0
193.15906	2.6
195.06528	9.2
201.05508	1.1
201.12694	0.9
203.07039	2.6
205.04988	3.2
205.08577	2.1
215.06982	1.1
217.08585	1.1
217.15981	1.8
219.10214	2.4
223.05919	4.7
227.06998	0.9
229.04819	1.1
243.10243	1.5
247.05991	3.0
257.11761	2.8
271.13315	1.2
295.17017	3.3
301.07089	1.7
307.26160	1.3
313.18015	31.2
315.08609	5.9
319.08231	5.6
331.19037	27.0
333.09692	74.5
345.09653	2.0
357.09656	3.0
359.11209	3.0
361.12802	1.1
425.16245	0.9
463.20798	1.1
481.22314	12.9
490.18390	0.9
499.23242	23.1
499.29440	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2332
Annotation	Garcidepsidone C
Peak:m/z	Relative Intensity
53.00303	0.7
53.03944	1.0
54.27127	0.6
55.01871	1.8
55.05502	3.8
57.07066	0.9
58.36505	0.7
60.48970	0.6
65.03941	1.7
67.05505	5.9
68.99796	1.8
69.03434	7.8
69.07059	3.3
69.23581	0.8
70.06577	0.9
71.04980	1.1
71.53515	1.0
72.90543	0.7
79.05492	3.8
81.03407	1.4
81.07056	9.9
83.04984	2.2
83.08620	0.8
85.02910	1.0
85.06503	1.3
91.05467	4.8
93.07040	7.4
95.04964	2.4
95.08608	11.7
96.21962	0.7
97.02901	1.3
97.06502	1.8
97.10174	0.9
98.97596	1.8
99.04420	0.9
105.07040	6.9
107.04960	4.5
107.08602	9.0
109.06544	1.0
109.10181	6.5
111.04472	1.4
117.03403	0.9
118.94879	0.7
119.04916	1.1
119.08585	10.2
121.02868	1.4
121.06532	2.8
121.10143	8.1
123.04416	6.5
123.08114	0.9
123.11671	4.7
125.06035	0.8
127.03925	0.9
130.08762	0.8
131.04950	1.1
131.08582	1.8
133.02855	1.3
133.10149	13.5
135.04440	8.1
135.08075	1.6
135.11708	7.6
137.05984	2.1
137.09619	4.0
137.13226	2.2
139.03908	100.0
139.11176	0.9
141.05452	1.6
145.02859	1.6
145.06479	1.5
145.10150	0.9
147.04437	2.5
147.08057	1.2
147.11699	2.8
149.06017	4.3
149.09671	1.3
149.13226	3.5
151.03909	8.3
153.05460	8.3
159.04407	2.7
161.05974	1.8
161.09573	1.1
163.03911	27.7
163.07623	2.4
165.05482	61.5
167.07071	2.4
169.04932	1.5
173.05966	0.9
173.13293	1.3
175.03851	1.1
175.07532	1.2
175.14836	13.9
177.05473	18.7
179.03426	1.3
179.07077	4.7
181.04973	15.3
181.06555	1.4
181.08577	1.2
187.07564	1.0
187.14804	1.2
189.05501	6.8
191.07036	19.1
193.08597	6.4
193.15933	1.7
195.06560	7.3
201.05566	1.4
203.07053	2.1
205.04924	3.7
205.08661	1.6
207.06557	1.0
217.15872	1.3
219.01860	0.8
219.06595	0.8
219.10030	1.5
223.06001	4.2
229.08676	0.9
231.06497	1.5
231.10243	1.2
233.11754	1.1
247.06009	2.9
255.06615	0.8
257.11752	1.6
269.17465	1.2
270.17752	1.3
289.06995	1.1
292.97778	0.8
301.07166	1.8
313.17953	11.9
313.21249	0.9
315.08606	7.1
319.08154	4.0
325.18045	1.2
331.19086	13.3
333.09695	66.1
341.10245	2.6
345.09732	3.7
355.86856	0.8
357.09668	4.1
359.11249	6.6
361.12936	0.9
373.13522	0.9
374.14194	2.7
463.21317	3.2
481.22333	7.0
499.22815	9.1
521.86365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.5
53.03945	1.4
54.48194	0.8
55.01867	1.8
55.05501	3.2
57.07069	0.7
58.97319	0.7
64.04479	0.7
65.03925	2.2
65.67826	0.7
67.05512	6.6
68.99778	1.4
69.03433	8.6
69.07059	3.3
70.65613	2.0
75.65481	0.6
79.05497	4.8
81.03420	1.1
81.07056	11.3
81.99077	0.8
83.04987	1.8
83.08615	1.3
85.02898	2.1
85.06534	1.1
89.02374	0.7
91.05483	6.1
93.07057	9.0
95.01331	0.8
95.04974	3.0
95.08603	11.4
97.02866	1.3
97.06540	1.5
97.10176	1.1
97.89916	0.7
98.97572	2.3
99.04440	1.0
103.05468	1.0
105.07037	7.4
107.04959	4.9
107.08599	9.6
109.02869	1.2
109.06511	1.4
109.10165	5.5
109.29665	0.7
111.04423	0.9
111.08074	1.3
115.55701	0.8
117.07046	1.3
119.04989	1.4
119.08591	9.1
121.02869	1.5
121.06522	4.3
121.10155	7.3
123.04416	6.5
123.08018	1.1
123.11726	5.6
127.03894	1.3
131.04953	1.7
131.08530	1.4
133.02866	1.4
133.06528	1.3
133.10141	13.1
135.04416	8.1
135.08052	2.1
135.11682	7.6
137.05989	1.5
137.09639	2.4
137.13260	2.0
139.03906	100.0
139.11273	1.0
141.05472	1.6
145.02907	1.1
145.06519	0.9
145.10172	1.8
147.04439	2.3
147.11740	2.1
149.05994	4.0
149.13280	2.7
151.03894	7.0
153.01828	1.1
153.05455	6.9
158.99608	0.8
159.04417	4.2
159.11748	1.0
161.05945	1.8
163.03914	27.7
163.07539	2.0
165.05476	65.4
167.07050	2.2
169.04915	1.3
171.34076	0.7
173.06039	0.9
173.09650	0.9
173.13307	2.5
175.04036	0.7
175.07477	2.1
175.11176	0.8
175.14810	13.7
177.05473	19.7
179.03387	2.2
179.07002	3.7
181.04958	15.4
181.08516	1.1
187.14926	1.0
189.05522	6.7
191.07037	19.5
193.04991	0.9
193.08536	5.0
193.15897	2.2
193.68021	0.7
195.06567	7.5
201.05444	1.5
203.07013	2.5
205.05013	3.0
205.08589	1.8
207.06566	0.8
213.09373	0.8
217.15889	1.3
219.01939	1.0
219.06444	1.0
219.10172	1.7
221.08070	1.0
223.06024	3.7
227.06998	1.1
244.16103	0.8
247.06055	2.5
257.11728	1.0
270.17853	1.8
273.07574	1.3
301.07150	2.0
313.17960	11.6
315.08670	6.6
319.08264	3.5
331.19022	11.7
333.09677	66.4
339.08884	1.1
341.10355	1.3
342.11206	0.9
345.09637	1.7
357.09784	5.3
359.11255	6.9
373.13571	2.0
374.14203	1.4
463.21405	1.4
481.22333	8.0
499.22687	7.1
499.27997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2331
Annotation	Garcidepsidone C
Peak:m/z	Relative Intensity
52.22769	1.0
52.67407	0.8
53.03939	1.7
55.01875	2.0
55.05503	3.1
65.03937	2.2
67.05508	5.8
68.99788	1.1
69.03426	9.7
69.07064	3.7
69.33546	4.6
69.33952	2.2
71.05003	1.0
72.03767	1.2
79.05508	7.0
81.03401	1.2
81.07054	10.7
83.04971	1.5
83.08621	2.0
85.02894	1.3
91.05482	7.0
93.07057	13.5
95.04996	4.7
95.05492	0.9
95.08612	13.7
96.10074	0.9
97.02878	2.1
97.06552	1.5
97.10172	1.8
98.20728	2.2
98.97600	1.9
99.04446	1.4
103.05463	1.0
105.07035	9.4
107.04962	6.3
107.08598	14.3
108.37701	1.0
109.02881	3.1
109.06517	3.1
109.10159	7.2
110.79443	0.9
111.04446	2.9
111.08080	1.4
117.06996	1.4
119.04941	3.0
119.08589	10.9
121.02869	1.3
121.06526	7.7
121.10162	9.4
123.04424	7.7
123.08043	1.0
123.11692	5.0
131.04927	1.3
131.08556	1.8
133.02867	1.8
133.06453	1.1
133.10141	23.4
135.04436	8.0
135.08044	2.1
135.11691	12.5
137.02312	1.1
137.05974	2.2
137.09639	2.1
137.13263	2.3
139.03914	100.0
139.11176	2.0
141.05421	1.6
142.07910	1.0
145.10123	2.0
147.04390	2.3
147.11682	3.6
149.05965	4.3
149.13283	7.4
151.03903	10.6
151.07593	1.1
153.05455	6.2
155.86662	1.3
157.10158	1.3
158.99675	1.2
159.04414	2.8
159.08003	1.1
159.11685	1.7
161.05937	1.9
163.03917	26.7
163.07591	2.7
165.05490	90.2
165.12773	0.9
167.07028	2.8
169.04948	3.9
171.21815	1.1
173.13321	4.7
175.03896	1.3
175.07492	2.4
175.14854	15.3
177.05489	22.1
177.09079	1.1
179.07016	5.7
181.04991	15.4
187.07480	1.0
189.05493	11.0
191.07040	9.8
193.08614	28.4
193.15891	1.2
195.06561	7.3
197.58672	0.9
201.05544	1.4
203.06996	2.3
205.04955	3.1
205.08636	2.4
207.06468	1.6
217.08607	1.0
219.06494	1.5
219.10184	2.2
223.05988	4.9
229.08708	1.2
231.10416	1.2
243.10153	1.9
247.06058	4.0
257.11694	1.8
270.17795	1.7
271.13336	1.1
273.07642	1.2
295.16980	2.8
299.09210	1.1
313.17981	29.6
315.08600	5.9
317.10147	1.2
319.08121	2.9
331.19043	26.3
333.09708	70.2
341.10019	1.2
345.09549	1.6
347.18530	2.4
357.09637	3.8
359.11273	4.2
425.16226	1.2
463.21231	1.6
467.19962	1.1
481.22263	11.7
499.23029	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	499.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
56.35106	0.6
57.03421	0.7
65.03937	1.9
69.03425	1.7
69.49702	4.8
70.06581	1.0
70.59942	0.8
79.05479	1.2
80.13850	0.6
81.07083	1.2
83.99512	0.6
84.08128	0.7
85.02899	1.2
91.05463	1.1
91.17176	0.5
92.04986	2.0
93.07049	0.8
94.59145	0.7
96.08156	3.4
97.06537	0.6
98.17654	0.6
98.97589	0.6
101.39589	0.6
105.07019	2.0
107.08568	0.7
109.06537	0.7
109.10194	0.6
110.06083	0.7
111.04441	0.6
121.02853	2.3
122.06065	1.3
124.07569	3.9
126.09156	7.0
133.06454	1.7
138.09151	2.1
139.03900	1.1
148.03871	1.2
149.09534	0.6
152.07071	23.0
152.08311	1.2
153.01833	1.0
159.05519	0.7
161.06018	2.3
164.03438	0.7
166.05011	40.7
167.07103	0.8
174.09145	0.7
175.11314	0.7
176.03421	8.4
182.04514	7.6
183.37285	0.6
190.02713	0.7
193.08661	1.2
194.04533	4.6
198.07800	1.3
199.08665	1.4
200.10710	1.2
203.03473	1.3
207.12386	0.6
211.08694	0.9
212.09416	2.3
215.06767	2.3
215.08490	1.1
224.07407	3.7
225.10292	1.8
227.11778	4.8
228.10240	2.1
229.13295	1.2
230.08028	0.7
233.09222	1.9
233.15315	0.7
240.08969	2.4
241.09839	1.0
243.11322	1.2
245.09218	1.0
253.09676	3.2
254.08043	1.0
255.11319	4.8
257.09210	1.1
257.12833	1.5
259.07178	2.6
261.12320	1.4
270.09775	1.5
271.10794	7.7
272.09183	1.3
273.08710	1.1
273.12289	3.0
283.10776	35.6
288.10904	1.6
289.11835	4.3
291.05450	0.6
295.06137	0.7
301.11832	27.0
319.12888	100.0
320.13281	1.4
321.07669	2.2
337.05554	1.5
337.13928	5.4
349.07236	1.9
351.08438	1.2
370.14417	0.8
371.49872	0.7
375.08585	1.0
379.08127	2.1
397.09061	1.1
412.57025	0.8
438.66766	0.7
456.18253	0.7
463.10367	1.6
467.15842	1.1
477.12225	0.8
481.11124	4.3
499.12292	6.2
499.17999	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.05518	8.4
57.03449	9.3
57.07079	3.5
58.06600	4.9
60.08158	5.5
67.05507	50.1
69.07070	16.1
71.04993	4.9
71.53521	1.8
79.05067	2.7
79.05494	30.8
81.07056	64.0
83.04961	4.3
83.08613	10.5
85.06570	1.9
86.09702	6.1
87.10028	2.4
89.06048	2.6
91.05490	14.3
93.06486	3.6
93.07047	48.3
93.07636	2.4
95.04957	3.3
95.08611	18.1
97.06524	8.1
99.08085	3.0
104.10747	13.7
105.07015	5.4
105.11073	4.6
107.08604	26.2
107.78722	1.5
109.10151	3.0
111.08096	6.3
117.07019	6.5
119.08588	2.4
121.10141	13.4
123.11685	1.9
124.62833	1.5
125.00041	4.0
127.00376	1.6
131.08600	7.7
133.10150	5.0
135.11696	8.8
149.13271	33.2
159.11713	11.8
177.12737	4.5
179.26575	1.5
184.07349	10.8
185.07719	3.3
186.07878	3.3
195.13765	12.3
236.14952	12.1
250.62112	1.7
269.17487	94.7
367.60394	1.6
463.30557	100.0
480.33878	2.5
498.37448	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	499.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61241	1.4
56.96555	9.5
57.03426	1.4
66.51797	1.6
69.03423	1.7
70.68005	3.1
71.61208	1.4
75.47495	1.5
77.65259	1.4
82.99844	2.7
84.96014	3.8
85.01360	1.6
85.02898	3.3
86.55981	1.3
89.36711	1.3
97.02883	3.1
98.97575	26.6
100.07611	1.9
101.00890	17.7
103.02415	2.4
109.02855	1.6
110.97552	10.2
112.99127	2.0
113.00866	8.7
116.98614	6.7
118.51187	1.4
119.01929	17.8
119.04931	3.1
124.99123	3.7
127.02454	15.1
127.03899	1.5
128.98595	8.3
129.04001	2.0
131.00208	2.3
131.01880	12.5
133.03456	3.0
139.02409	4.7
140.98621	3.6
143.00151	6.1
143.01920	26.7
145.01718	2.3
145.03473	45.3
146.08118	2.3
146.99626	3.5
147.01363	3.4
147.04350	10.1
152.98535	1.8
153.03964	1.8
155.00569	2.6
155.01901	33.4
156.98080	7.0
157.03470	18.2
158.99693	8.6
159.00941	1.5
161.01350	3.2
161.02951	21.0
163.04062	1.9
165.00740	1.4
167.01892	19.1
169.03456	6.9
170.99883	7.9
171.01364	7.5
171.05006	7.0
173.01445	3.5
173.02954	42.9
174.99156	19.8
175.04465	3.8
177.00677	1.8
179.01826	4.4
182.99686	3.8
183.01358	2.8
185.01357	3.4
185.02968	47.7
186.99158	2.4
187.04524	4.5
188.97101	2.0
189.00681	4.1
189.02432	5.2
189.06013	1.9
191.03957	5.3
193.00235	11.5
197.02928	19.6
199.00859	6.9
199.04628	3.4
201.00726	14.5
201.02434	2.5
203.03969	11.4
209.03079	3.6
211.00867	2.6
213.39980	1.6
215.04083	10.4
215.05811	1.8
217.00142	9.0
217.01964	49.2
217.05391	3.2
219.01756	11.2
221.03082	3.0
221.05132	5.3
227.03899	9.2
229.01915	7.8
229.05466	2.4
233.03355	3.0
235.00996	2.3
235.03032	11.8
237.02777	4.3
238.49811	1.7
243.01591	3.3
245.05089	100.0
247.02954	8.6
247.06801	2.5
251.04388	8.5
257.05136	11.7
261.02847	15.4
261.05582	3.2
263.00644	2.4
263.06140	10.3
265.04120	1.7
269.05447	14.7
275.06134	10.8
277.04208	14.9
277.07147	2.4
279.03848	4.2
287.06467	2.1
291.03964	3.0
293.05075	2.7
301.04175	7.6
303.09097	2.2
305.07309	12.8
311.06503	6.0
319.05405	22.0
321.04916	5.5
321.10168	2.1
335.08151	4.7
337.06339	28.2
337.10144	3.2
347.03043	2.0
351.06290	2.4
365.03903	8.5
365.09256	14.2
381.06976	5.4
397.06442	3.2
399.07889	2.6
436.63663	1.7
481.08759	5.8
499.10956	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	498.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01867	7.1
55.05497	6.3
57.03441	13.3
58.41706	2.1
61.02926	6.2
61.99754	2.4
67.05508	3.9
69.03435	81.2
69.07059	6.2
70.06564	6.7
71.04983	8.5
71.53771	2.6
73.02913	7.8
74.10558	2.0
77.34379	2.5
78.75954	2.4
79.05490	4.2
81.03422	22.8
81.07060	7.4
83.04984	7.0
85.02910	100.0
87.00832	35.8
87.04476	24.1
91.05451	3.3
93.07016	4.2
95.04966	4.1
95.08617	2.7
97.02297	4.7
97.02895	67.7
99.04453	9.6
105.01875	59.9
105.07029	3.3
107.04948	3.7
107.08560	4.4
109.02892	24.5
111.04447	6.5
111.08063	4.1
115.03934	29.2
123.04421	3.1
127.03923	56.8
129.05470	4.2
133.04980	19.4
139.03941	5.2
141.09103	5.5
145.04955	29.8
147.02901	2.3
147.04361	2.9
150.07651	25.2
151.05826	2.6
153.12758	2.2
159.02908	7.0
177.05501	6.5
189.03836	3.0
209.11691	9.8
213.03969	4.6
216.13368	2.1
223.06033	3.6
230.40108	2.5
231.05048	21.0
241.07083	8.9
242.78493	2.4
249.06081	11.7
250.99127	2.3
269.13873	4.4
273.06058	4.2
295.11810	14.8
309.06223	3.3
313.12750	9.6
318.11542	2.9
327.06870	10.9
331.13715	2.5
335.12030	3.1
336.12659	8.3
345.08148	26.2
363.08896	4.2
424.90457	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	498.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77061	1.1
52.45069	1.1
53.03935	1.4
55.01866	1.4
55.05518	9.2
57.03444	7.4
57.07071	1.7
65.03951	1.3
66.32867	1.0
67.05508	42.8
69.07070	12.8
71.04984	3.3
71.08585	1.1
79.05497	26.9
81.03427	2.6
81.07059	55.0
83.04983	3.3
83.08636	9.5
85.06530	2.8
91.05487	18.6
93.07044	38.1
94.07394	1.1
95.04985	2.7
95.08055	1.6
95.08614	17.1
96.08932	1.4
97.06546	6.6
97.10187	1.5
99.08112	1.9
103.05499	1.1
104.09926	1.1
105.07022	12.1
107.04978	1.2
107.08591	25.0
109.06508	2.5
109.10153	5.0
111.08092	3.6
113.05943	1.2
114.54224	1.1
115.05456	1.1
117.07031	8.4
119.08585	6.9
121.06539	2.0
121.10142	14.4
123.11714	3.8
129.07001	2.2
131.08578	13.0
133.10133	9.9
135.08055	1.5
135.11676	7.8
141.06966	1.7
143.08554	3.2
145.10138	4.3
147.11708	2.9
149.13271	13.4
151.11214	1.6
155.08621	1.5
157.10139	2.7
159.11678	8.7
161.13229	1.6
169.10098	1.8
171.11694	2.5
173.13281	1.8
177.12799	2.8
181.10089	1.6
185.13257	1.3
187.14870	1.3
195.13820	12.7
197.13188	1.2
251.16431	2.6
269.17480	57.1
277.21533	1.3
343.89218	1.1
353.24832	2.4
371.25879	3.0
389.26553	1.9
427.28143	1.0
445.29538	15.4
463.30557	100.0
464.30780	2.4
480.39243	5.1
481.31546	2.4
498.39902	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	496.34
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05504	0.4
55.16553	0.2
56.05044	1.2
57.03432	0.4
57.07079	2.8
58.00654	0.2
58.06580	1.6
59.07378	0.4
60.08165	15.5
67.05499	0.8
68.40049	0.2
69.07077	0.6
71.07378	6.4
71.08623	1.8
71.30254	0.3
81.07045	0.9
83.08619	0.5
85.10185	1.0
86.09706	49.3
89.10416	0.2
95.08585	1.2
98.98463	4.1
104.10745	100.0
105.11047	0.3
109.10135	0.6
114.19035	0.2
123.11686	0.3
125.00005	27.3
138.81996	0.2
153.66850	0.2
163.01547	0.9
166.06407	0.3
181.02640	0.4
184.07341	95.5
240.09927	0.2
258.10999	1.3
277.14478	0.2
313.27325	2.1
419.25583	0.4
478.32944	10.1
482.30499	0.3
496.33990	40.3
497.34293	0.5
499.73514	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	497.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96578	5.1
57.03447	1.3
68.53413	1.0
69.03435	3.3
76.78278	1.1
80.56847	1.0
81.03423	1.6
82.99879	3.9
84.96004	1.6
85.02921	6.6
91.05496	4.0
97.02906	3.6
98.03182	1.1
98.97585	10.1
99.04470	1.8
99.64291	0.9
101.00892	24.9
109.02893	1.5
110.97621	1.8
113.00865	6.0
115.02461	1.2
116.98623	4.0
119.01934	28.7
119.04970	6.0
120.02051	1.2
124.99129	1.7
127.02422	4.5
127.03925	5.4
128.98656	1.6
131.01903	20.0
133.03455	1.2
137.00845	1.0
137.02899	2.0
139.02455	2.9
139.03902	1.4
140.66319	0.8
143.00166	3.8
143.01909	24.3
145.03490	16.2
145.05028	2.1
146.99576	1.3
147.01366	1.3
147.03270	1.5
147.04407	19.4
149.03017	1.3
153.88411	1.0
155.01906	22.6
155.03136	1.5
157.03505	6.4
158.99617	1.5
161.01411	1.9
161.02975	21.8
163.04495	1.1
167.01927	13.8
169.03468	7.1
170.99692	3.4
171.05054	3.4
172.01251	1.0
173.02977	24.1
175.04581	2.4
177.00743	1.1
177.05595	1.2
179.01923	5.1
185.02980	41.8
187.04510	15.2
189.00725	3.4
191.03989	5.8
197.02960	19.0
199.04518	2.5
201.00742	2.9
203.04004	12.8
205.03709	1.8
207.01819	2.3
209.02943	1.5
211.04501	2.3
215.04022	72.2
219.01825	3.5
221.05049	3.2
223.04718	3.4
225.06029	1.3
227.04016	19.1
233.05083	84.8
234.05435	1.5
237.02838	1.1
238.05673	1.2
239.04083	2.9
241.05655	1.8
245.05099	100.0
246.05247	2.7
247.04811	1.3
251.03984	2.0
251.06325	1.5
256.06653	2.6
257.05109	10.1
259.06613	2.0
261.02866	3.3
263.06131	16.3
269.05148	7.5
272.56937	1.5
275.06161	28.4
279.03931	1.7
281.07117	1.8
287.06168	1.8
291.03751	1.8
293.07309	6.9
299.06262	2.9
303.09436	1.4
305.07190	10.2
317.07199	34.5
321.04855	1.7
335.08255	45.2
365.09320	15.1
377.09409	1.4
468.79047	1.0
488.50690	1.2
497.13611	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34933	0.4
53.03946	0.5
57.03429	0.9
61.02923	1.0
65.03951	0.9
67.05492	1.7
69.03439	3.4
69.07072	40.0
69.40966	0.4
69.68843	2.3
71.04988	0.6
72.74438	0.4
73.02899	0.6
79.05469	1.0
80.05000	0.5
81.03429	1.3
81.07065	3.6
82.82649	0.4
83.04949	0.6
85.02908	6.9
92.05009	0.7
93.07067	1.0
94.06561	1.8
97.02908	2.8
97.06538	6.7
98.21445	0.6
99.04462	0.4
105.07022	0.9
107.08630	0.5
109.02853	1.2
109.05327	0.4
109.06527	0.7
117.07025	0.4
121.05261	0.5
122.06066	3.7
124.07623	1.2
125.05977	0.9
127.03949	0.9
133.06473	0.4
133.10103	0.4
137.05971	1.8
138.05507	3.3
140.07074	3.6
141.07858	0.7
142.06563	0.4
145.08868	1.5
145.10095	0.8
146.09648	2.2
147.06839	0.5
148.03947	1.3
150.05515	50.8
157.08861	0.6
158.09683	0.4
159.10451	0.5
160.07635	0.7
160.11252	0.4
161.08350	2.3
162.09111	2.3
163.11134	0.6
164.03374	0.9
165.04298	0.4
166.05002	11.5
168.06584	0.7
172.07465	1.0
172.11162	2.2
173.08357	1.0
174.09157	1.2
174.12785	4.5
176.03413	3.3
178.05037	0.9
185.08348	1.1
186.07668	0.9
188.10744	1.4
190.12303	4.9
192.02849	0.5
194.04504	1.4
198.09267	0.9
200.10757	4.0
202.08585	0.6
202.12276	4.7
206.11726	0.8
213.10277	0.5
215.08131	0.7
216.10219	3.2
218.08365	0.8
218.11763	14.4
226.08670	0.7
227.11732	0.8
228.10202	9.2
229.13426	0.8
229.40324	0.4
234.11267	1.9
243.07709	0.7
243.11325	1.3
244.09714	1.1
245.12807	1.2
246.11278	13.1
252.81461	0.4
253.09784	0.5
254.08148	0.7
255.11351	1.2
256.09799	1.1
257.09268	1.3
261.08569	0.5
261.12589	0.6
262.10800	0.5
271.07886	0.7
271.10666	3.4
272.09143	2.5
273.12317	1.5
274.10849	1.7
281.09189	0.4
287.10242	5.6
289.11862	5.2
290.10403	0.8
299.10242	5.1
299.13220	0.7
317.11356	24.2
318.09689	1.5
335.12384	100.0
336.12689	0.8
366.65454	0.6
497.17767	3.6
514.53888	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.05515	20.3
55.78506	0.6
57.03439	11.3
57.07066	0.9
57.87516	0.6
59.04997	1.4
64.98379	0.5
65.03919	2.3
66.16575	0.7
67.05508	30.2
69.03440	4.6
69.07067	8.0
69.18297	2.0
69.18720	4.2
71.05001	6.9
78.73572	0.5
79.05498	31.7
79.05968	1.5
81.03422	77.0
81.07057	35.0
83.04990	15.5
83.08625	27.1
85.02911	35.3
85.06524	2.5
87.04436	1.0
91.05486	41.5
93.07050	21.4
95.04971	33.9
95.08076	1.0
95.08613	14.5
97.02903	3.1
97.06546	4.8
97.10165	7.2
99.08041	1.5
105.07034	28.5
107.04948	8.8
107.07895	0.6
107.08595	10.5
109.06525	7.8
109.10144	4.4
111.04432	3.4
111.07386	0.9
111.08096	13.2
113.06004	3.3
115.05421	2.4
117.07003	2.6
119.04807	0.8
119.08585	22.7
121.06483	2.1
121.09341	0.8
121.10149	11.7
123.08092	3.7
123.11684	2.4
125.05997	1.0
125.09615	3.6
128.06175	0.7
129.07011	13.5
131.08572	13.6
133.06482	3.7
133.10141	12.8
135.08054	1.0
135.11682	0.7
135.83316	0.5
137.09604	1.8
142.07776	3.2
143.08539	0.9
145.10065	2.6
147.08038	3.6
147.11693	17.0
149.09624	6.6
151.11198	1.0
157.10133	16.1
163.11137	1.1
165.12781	4.1
171.11565	0.8
175.11188	18.0
189.11235	1.2
193.12254	64.0
201.12770	0.7
211.13300	84.5
233.15309	1.1
246.41954	0.5
249.14966	0.8
267.15906	14.3
285.17032	6.3
313.16013	0.7
341.20926	1.0
349.21524	1.1
357.24219	0.7
359.21964	0.8
367.22672	2.4
385.23633	2.9
403.24799	1.8
430.60049	0.7
431.28000	0.7
433.25925	1.3
451.26920	1.1
459.27560	6.4
477.28461	11.5
495.29556	100.0
496.29745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01869	3.7
55.05511	22.2
57.03439	12.5
57.07060	1.0
59.05000	1.1
64.58932	1.0
65.03918	2.2
67.05506	30.4
69.03429	3.8
69.07059	9.3
69.92035	5.4
71.05001	7.2
79.05496	33.1
81.03421	70.3
81.06587	2.2
81.07063	37.2
83.04969	15.4
83.08624	23.6
85.02910	36.0
85.06551	2.6
88.80246	1.1
89.44019	1.2
91.05484	43.1
93.07043	23.5
95.04972	31.2
95.08614	15.1
96.58680	1.2
97.02898	3.1
97.06541	7.4
97.10155	7.0
99.08044	1.3
103.05504	1.9
104.63178	1.2
105.07035	32.5
107.04958	7.3
107.08605	10.5
109.06531	5.9
109.10120	5.1
111.04456	2.8
111.08083	9.6
113.06014	4.5
115.05446	2.3
117.07020	3.4
119.08586	24.5
121.06501	3.3
121.10154	13.4
123.08068	4.2
123.11708	3.3
125.05991	1.3
125.09644	3.8
129.07014	14.6
131.08589	13.1
133.06520	3.7
133.10130	14.0
135.11700	1.9
137.09566	2.8
142.07764	3.1
143.08588	1.2
145.10129	4.0
147.08095	3.0
147.11685	19.3
149.09619	6.7
155.08548	1.5
157.10136	16.2
163.11179	3.7
165.12761	3.6
175.11206	17.9
193.10449	1.9
193.10905	1.1
193.12251	61.3
211.13293	77.6
224.00246	1.1
227.12714	1.3
233.15454	2.1
254.75287	1.2
267.15921	18.1
285.16885	7.1
367.22504	1.7
385.13654	1.1
385.23834	2.9
419.91571	1.0
433.26154	1.3
439.80154	1.1
441.26642	1.5
451.27020	1.1
459.27402	7.8
477.28574	14.3
495.29584	100.0
496.30289	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01862	4.5
55.05515	22.0
57.03439	12.2
65.03935	1.4
67.05509	32.3
69.03429	4.0
69.07069	8.9
70.18698	2.4
71.05001	5.9
78.55696	1.2
79.05495	35.2
81.03423	75.6
81.07061	38.6
83.04984	19.0
83.08620	27.6
85.02911	35.8
85.06546	1.8
91.05486	46.3
93.07046	25.1
95.04968	35.9
95.08614	13.5
97.02892	5.4
97.06523	6.1
97.10178	7.2
99.08089	1.9
105.07040	29.1
107.04971	11.1
107.08586	12.7
109.06552	9.4
109.10183	7.4
111.04454	3.6
111.08080	12.3
113.06004	3.6
117.07004	3.6
118.69800	1.2
118.90405	1.2
119.08591	24.2
121.06539	4.1
121.10159	10.9
123.08076	3.1
123.11709	4.1
125.09669	3.1
129.07008	15.2
131.08583	14.5
133.06490	4.3
133.10136	12.6
135.08026	1.8
137.09650	2.9
139.11244	1.5
142.07814	3.0
145.10158	2.9
147.08060	4.2
147.11685	19.1
149.09624	8.1
157.10143	20.1
165.12750	7.4
173.36760	1.3
175.11189	16.8
193.12250	66.6
211.13304	89.3
219.13818	2.3
233.15479	1.3
249.14835	2.5
267.15921	17.3
285.17029	5.0
357.24216	1.4
367.22775	2.3
385.23697	4.6
403.24585	2.8
451.26700	1.9
459.27310	6.3
477.28525	13.5
495.29541	100.0
496.29718	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	495.1291
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
53.03914	0.4
55.05480	0.7
56.12553	0.2
56.31685	0.3
57.03408	0.3
67.01848	0.3
67.05508	1.3
68.99804	0.2
69.07043	0.5
69.32767	0.6
69.33187	1.4
77.03912	0.3
79.05504	1.8
81.03419	1.3
81.07081	1.6
83.04954	0.2
83.08591	0.5
85.02910	0.3
89.65682	0.2
89.69420	0.2
91.05498	2.0
93.07040	1.4
95.04961	1.2
95.08598	0.6
97.02937	0.3
102.04675	0.5
103.05492	2.6
104.64436	0.2
105.06992	1.0
107.04917	0.5
107.08546	0.5
109.06484	0.3
109.10122	0.4
110.12360	0.2
115.05426	0.3
117.03387	0.3
117.07046	0.5
118.04183	1.9
119.04959	0.4
119.08581	0.7
121.06541	1.1
121.10129	0.4
123.04395	0.7
123.11699	0.4
125.02326	0.3
130.04150	1.1
131.04933	3.7
131.08525	0.4
132.05740	1.7
133.02837	0.4
133.06540	0.3
133.10112	0.6
134.03540	0.3
135.04424	0.8
140.04684	2.0
145.06477	0.3
145.10051	0.2
146.03642	2.6
147.04424	0.5
147.11656	0.7
148.05145	0.9
149.05995	1.2
153.01842	5.5
153.05438	0.7
154.06180	0.6
154.78954	0.2
155.06992	0.5
159.04355	0.5
160.05202	1.1
161.02397	0.4
161.06013	1.3
162.03078	0.7
163.03879	0.5
163.07457	0.2
165.05464	0.4
165.12819	0.2
166.06252	0.7
167.07031	1.6
171.02852	0.3
173.05972	0.5
176.04703	1.8
177.05489	2.5
178.06248	3.5
179.07027	0.2
180.07947	0.3
191.07042	3.5
191.10695	0.3
192.07787	1.8
193.04950	0.4
193.12216	0.5
203.03406	4.3
211.13293	0.7
213.05443	0.7
216.04030	0.3
229.04971	5.2
241.04915	1.1
242.05763	9.7
253.04977	2.2
255.06589	0.3
256.07272	0.3
257.04468	48.9
258.05267	14.2
259.05972	0.3
267.15933	0.7
269.04483	2.0
270.05252	2.3
271.06027	1.9
272.06821	0.3
283.06076	0.4
284.06763	0.3
285.03976	6.8
285.17010	0.5
286.04739	27.0
287.05518	17.5
297.03952	3.9
299.05563	1.9
300.06342	1.3
327.04999	2.0
341.06583	2.2
359.09335	0.5
383.10190	0.2
387.08557	0.4
402.07242	0.4
403.24890	0.4
416.08820	0.3
419.07748	1.0
421.09418	0.3
431.07755	0.3
433.08957	0.5
444.08621	0.4
445.09302	0.7
447.07135	1.8
449.08456	0.4
459.27460	0.3
461.09021	0.4
462.09442	1.3
465.11856	3.4
477.11856	12.9
477.28296	0.9
495.12909	100.0
496.13019	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.113
Annotation	Myricetin 5-methyl ether 3-glucoside
Peak:m/z	Relative Intensity
57.03429	0.8
57.50207	0.4
61.02923	4.1
68.99782	0.7
69.03422	1.5
69.07044	0.4
71.54779	0.5
73.02934	1.9
81.03387	0.6
84.08101	0.5
85.02905	7.0
91.03948	2.2
93.07040	0.5
95.08573	0.4
97.02904	3.7
100.62749	0.4
109.02875	1.4
111.00826	1.0
121.02882	0.6
123.04412	1.0
127.03922	1.4
137.02341	1.3
139.03880	1.6
145.04953	0.8
153.01822	6.0
163.03914	0.5
165.01825	1.6
167.03391	2.1
179.03436	1.0
183.02826	0.5
193.04984	0.7
206.05791	0.5
208.03691	0.5
213.62227	0.4
217.04991	2.5
219.02876	2.8
233.04485	0.8
244.03734	1.8
245.04436	3.8
247.02356	0.6
259.06100	1.0
261.04099	0.7
273.03946	4.0
277.07108	0.9
283.02332	0.4
287.05527	1.0
289.03540	2.5
290.04172	1.9
301.03415	5.7
304.05331	0.5
317.06476	0.6
318.03677	10.0
318.07254	0.7
319.07397	0.6
321.07797	0.7
333.06049	100.0
334.06348	0.9
378.78564	0.4
393.09540	0.7
411.10440	0.6
423.89142	0.5
494.30417	1.2
495.12836	0.4
495.30710	0.8
517.13995	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
55.05486	0.9
56.05849	0.2
57.03421	0.4
61.13449	0.2
67.01842	0.3
67.05510	1.8
69.03406	0.3
69.07052	0.6
70.71781	0.5
79.05497	2.1
81.03424	1.6
81.07071	2.1
83.04950	0.4
83.08598	0.8
85.02891	0.6
85.58451	0.2
89.03908	0.3
91.05474	2.8
93.07054	1.9
95.04980	1.4
95.08592	0.7
97.02884	0.2
97.06521	0.3
97.10150	0.3
102.04659	0.6
103.04904	0.3
103.05490	3.2
105.07040	1.7
107.04980	1.1
107.08566	0.8
109.02873	0.2
109.06516	0.3
109.10163	0.4
111.04486	0.3
115.05411	0.4
117.03336	0.3
117.06993	0.6
118.04159	1.4
119.04926	0.6
119.08561	0.5
120.05740	0.2
121.06518	1.4
121.10108	0.7
123.04404	0.7
123.11660	0.4
125.02317	0.3
129.07019	0.4
130.04128	1.2
131.04947	3.4
131.08560	0.6
132.05698	2.0
133.02811	0.8
133.06453	0.6
133.10130	0.6
135.04364	0.7
139.03911	0.4
140.04686	2.2
145.02864	0.2
145.06413	0.3
145.10094	0.3
146.03616	2.3
147.04382	1.1
147.11664	0.9
148.05180	0.8
149.05949	1.0
151.03909	0.3
153.01837	5.8
153.05467	0.6
154.06223	0.5
155.07028	0.6
157.10129	0.4
159.04420	0.6
160.05182	1.4
161.02341	0.5
161.05975	1.0
162.03093	0.8
163.03891	0.7
163.07500	0.5
163.11148	0.4
165.05453	0.4
166.06264	0.8
167.07031	1.3
173.05971	0.7
175.11180	0.3
176.04680	2.4
177.05481	2.0
178.06262	2.9
179.07001	0.2
180.07755	0.5
182.09384	0.2
187.03995	0.4
191.07036	3.9
192.07814	1.7
193.05072	0.3
193.12209	0.9
203.03387	4.8
209.11787	0.4
211.13257	0.5
213.05550	0.4
227.12839	0.4
229.04971	5.8
241.05026	1.1
242.05756	9.2
243.06570	0.2
253.04929	2.2
256.07272	0.3
257.04459	48.3
258.05231	14.4
259.05872	0.4
261.77863	0.2
267.15939	1.0
269.04477	1.7
270.05270	2.3
271.05927	1.8
283.05978	0.3
285.03958	6.6
286.04736	26.9
287.05515	18.3
288.05771	0.3
297.03961	3.8
299.05548	1.5
300.06305	1.1
301.07056	0.4
311.05560	0.4
327.05087	2.4
341.06540	1.9
373.07037	0.3
385.23697	0.4
388.09509	0.4
403.08234	0.4
416.08698	0.4
419.07666	1.1
421.09473	0.2
433.09406	0.4
445.09265	0.6
447.07211	1.2
459.27682	0.4
462.09485	0.6
465.11877	3.7
477.11856	12.5
477.28387	0.8
495.12888	100.0
496.13416	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3891
Annotation	Trilocularol A
Peak:m/z	Relative Intensity
51.21090	1.9
53.03947	2.2
55.01864	4.8
55.05513	20.7
57.03412	2.3
57.07069	3.8
59.73779	2.2
67.05506	37.4
69.03420	4.7
69.07070	23.7
70.00747	9.4
71.04989	3.9
79.05502	20.2
81.03426	11.7
81.07058	45.8
83.04974	5.4
83.08608	15.7
85.02943	2.0
85.06543	29.3
91.05482	20.6
93.07041	34.3
95.04953	8.4
95.08609	70.6
97.02866	2.1
97.06531	5.9
97.10159	7.4
99.08104	3.7
105.07034	28.9
107.04954	3.1
107.08595	48.5
109.06509	4.6
109.10156	100.0
111.04449	4.2
111.08073	21.2
113.09651	5.6
117.07014	5.1
119.08584	33.9
121.10146	41.9
123.08092	4.8
123.11719	27.9
125.09631	9.7
127.88502	2.0
128.06227	2.1
129.07047	5.0
131.08577	8.5
133.10139	40.2
134.48987	2.0
135.08058	3.2
135.11694	24.0
137.09608	2.8
137.13269	9.2
139.07550	5.8
139.11148	3.6
141.09132	3.4
143.07071	3.2
143.08525	3.0
145.10149	10.3
147.11705	27.6
149.09593	2.8
149.13232	17.5
151.11188	2.4
151.14859	4.0
153.12724	5.0
155.10687	1.9
156.84935	2.4
157.08601	18.0
157.09953	2.8
159.11703	8.2
161.09642	3.3
161.13252	16.4
163.11145	3.9
163.14796	21.2
165.12796	7.0
167.14166	2.9
171.10156	4.2
171.11560	3.0
173.13263	5.7
175.11073	2.8
175.14796	15.3
177.16342	15.1
183.10190	2.2
183.13774	3.5
185.13297	2.9
187.14888	6.9
189.16377	12.0
191.18013	5.5
193.12256	6.3
193.16006	2.9
201.16284	4.1
203.17993	18.9
205.19566	6.8
207.17461	4.1
211.13271	5.4
217.19548	14.0
221.19069	2.5
225.14783	3.7
225.18388	2.7
227.12695	4.2
229.19415	2.8
231.21094	13.5
243.15941	2.0
249.22145	3.7
253.18073	5.9
259.20715	2.7
267.15948	3.3
271.18988	2.6
283.15292	2.8
295.22629	3.7
299.27213	4.5
329.28256	2.6
369.31711	2.7
405.33649	15.4
411.35751	2.1
431.38892	3.9
439.35687	4.9
457.36740	26.7
461.28732	8.4
475.26736	4.5
475.37762	62.8
488.80237	2.2
493.27625	7.7
493.32260	3.7
493.38602	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	493.0981
Annotation	6-Methoxykaempferol 3-glucuronide
Peak:m/z	Relative Intensity
56.16473	0.2
57.91386	0.1
61.22940	0.1
69.45884	0.8
69.46287	0.3
72.43978	0.1
76.59094	0.2
90.02018	0.1
147.33351	0.1
153.01854	0.3
154.08586	0.2
174.62434	0.2
190.72144	0.1
203.03281	0.2
209.70117	0.2
221.72649	0.2
273.04022	0.2
274.04749	15.6
275.05197	0.2
302.04236	32.3
303.04550	0.3
317.06577	100.0
318.07028	0.9
493.09842	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	493.1349
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
70.56950	0.2
111.07356	0.1
121.02843	0.1
130.52927	0.1
136.01550	0.2
147.08627	0.1
147.09761	0.1
149.61856	0.1
153.01826	0.4
154.02708	0.1
178.02614	0.5
178.03976	0.1
179.07082	0.1
199.97629	0.1
241.04918	0.2
242.05780	1.7
258.05234	1.5
269.04349	0.2
269.63196	0.1
270.05255	8.4
271.05679	0.1
273.04037	1.0
285.03854	0.1
286.04767	1.2
287.05527	3.1
298.04614	0.2
299.05478	0.6
301.03479	1.8
301.24152	0.1
302.04230	2.3
303.07632	0.2
313.03503	0.7
315.05017	31.8
316.05762	4.4
317.06467	0.2
331.08148	100.0
332.08548	0.9
493.13507	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26487	0.1
66.07748	0.1
66.24525	0.1
69.85323	0.5
78.97516	0.1
147.08089	0.1
151.27563	0.1
153.01741	0.4
154.02545	0.1
163.03729	0.1
165.05397	0.3
178.02548	0.4
191.06949	0.2
241.04956	0.1
242.05737	1.7
255.02818	0.2
258.05185	1.7
269.04492	0.3
270.05240	8.2
271.05911	0.2
273.03979	1.0
285.04068	0.2
286.04721	1.5
287.05515	3.4
290.11215	0.1
298.04724	0.2
299.05496	0.6
301.03461	1.8
302.04279	2.0
313.03354	0.6
315.04984	32.1
316.05737	4.0
316.08972	0.1
331.08118	100.0
332.08502	0.9
384.56815	0.1
453.92709	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	493.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54387	1.5
53.03946	5.2
53.73874	1.5
55.01874	3.6
55.05510	27.1
57.03444	5.2
59.05013	4.2
65.03944	1.9
67.05506	44.1
69.03434	5.9
69.07069	16.9
69.42021	13.5
71.04990	13.1
75.62625	1.6
79.05494	46.2
81.03421	22.1
81.07061	53.4
83.04990	5.9
83.08614	21.5
85.06560	4.8
91.05482	40.7
91.06012	2.4
93.07051	36.3
95.04974	15.6
95.08614	29.8
97.02919	2.8
97.06564	7.0
97.10180	19.7
98.20743	3.4
99.08112	2.1
102.92681	1.6
105.07036	37.4
107.04987	7.9
107.08599	27.8
109.06545	8.1
109.10142	14.1
111.04467	2.7
111.08115	4.1
114.56148	1.6
115.05453	2.0
117.07011	18.3
119.04983	1.9
119.08583	24.3
121.06516	11.7
121.10159	14.7
123.08109	9.6
123.11733	2.7
125.09618	10.6
128.06255	2.6
129.06999	16.7
129.07774	1.7
131.08580	29.2
131.09529	2.2
133.06514	5.5
133.10135	14.3
135.08105	7.8
135.11719	5.9
137.09601	2.8
141.07056	4.4
142.07851	3.5
143.08554	11.5
144.98563	1.7
145.06509	3.7
145.10147	15.5
147.08025	8.1
147.11714	9.7
149.09680	7.5
149.13278	3.5
151.07545	2.0
153.09097	2.7
153.12823	2.8
154.20731	1.7
155.08598	6.7
157.06670	1.6
157.10162	9.9
159.08109	2.8
159.11765	7.3
161.09697	7.0
161.13284	3.8
163.11305	4.0
163.43901	1.8
165.95859	1.9
167.08614	3.2
167.10608	2.4
169.10204	5.5
169.58672	1.7
171.10356	2.4
171.11757	6.2
173.09659	3.1
173.13275	3.7
175.11295	5.0
175.14847	4.4
181.10152	3.2
181.12239	2.7
183.11836	6.0
185.13295	4.9
187.14900	2.0
189.11320	5.8
189.12840	1.9
193.12204	11.9
195.11823	3.2
197.13321	5.7
199.11461	2.2
199.14915	3.4
203.14442	3.2
207.11870	2.6
211.13283	4.3
211.15005	2.1
215.14375	2.5
217.15877	4.3
221.15488	4.8
223.13251	2.4
225.14859	2.3
227.12695	8.8
233.15454	4.1
235.14899	2.0
239.14337	2.2
249.14917	1.9
267.15939	3.4
271.16962	2.0
273.18671	2.3
283.15747	2.5
285.10025	2.3
289.18005	2.1
323.23795	3.1
331.22665	3.3
333.22134	3.6
341.24951	7.0
351.23276	10.9
359.26117	3.3
369.24234	22.5
387.25201	13.9
401.27350	2.2
405.26654	7.0
415.28574	1.9
417.26382	2.0
419.28107	3.5
425.27148	2.1
433.29828	3.3
435.27496	6.4
437.28931	18.0
437.33646	1.7
443.27893	24.7
443.32880	2.0
461.29007	54.7
461.35220	3.5
469.56189	2.3
475.31671	7.9
493.31830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66372	1.6
53.41229	1.8
55.05515	5.0
55.39199	1.3
57.07074	3.3
67.05508	21.4
68.05843	1.6
69.07076	12.4
69.25170	11.3
69.25582	3.5
71.05001	2.3
79.05502	8.1
80.26904	1.7
81.07061	23.2
83.04946	2.0
83.08631	6.1
85.06533	3.1
87.19405	1.6
91.05497	2.7
93.07043	7.6
93.65059	1.5
95.08617	29.5
96.08924	3.0
97.10159	3.1
100.87569	1.5
101.06019	2.1
105.07026	4.4
107.08607	25.9
109.10161	34.4
110.10545	2.3
111.11726	2.9
118.07192	1.6
119.08565	4.9
121.10155	10.1
123.11700	6.3
125.09642	28.4
131.08597	2.0
133.10107	5.1
135.11707	7.7
137.13258	5.0
143.10664	3.2
145.10147	2.0
147.11674	4.4
149.13283	4.8
153.09142	4.0
161.13266	2.5
161.82370	1.7
163.14787	4.1
171.10173	100.0
173.11644	1.8
175.14771	1.7
177.16354	2.5
189.16414	2.1
191.17987	2.5
203.18013	2.6
205.19576	4.0
217.19501	2.8
251.04686	6.3
287.27155	2.9
307.10913	3.5
360.71106	1.6
363.17352	5.0
402.86169	1.7
412.92444	1.9
415.83322	1.8
419.23398	5.7
457.36554	7.5
475.30273	3.7
475.37766	7.6
492.37579	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	492.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01864	0.6
55.05503	1.6
57.03441	0.9
57.07071	1.1
57.73802	0.5
58.99583	1.2
59.04974	0.5
59.18152	0.5
64.13780	0.6
65.72874	0.5
67.05509	1.4
69.03439	35.7
69.07088	3.1
70.52677	1.3
71.04974	0.8
76.02232	2.7
79.05489	2.0
81.03431	0.7
81.07073	2.8
83.04989	2.4
83.08616	1.2
85.02921	8.7
85.06544	2.0
86.99055	1.1
91.05492	1.8
93.07045	3.9
95.08058	0.8
95.08617	6.7
97.02899	2.9
97.06541	1.7
100.02220	0.6
105.00106	1.6
105.07026	2.5
107.08614	9.9
109.02906	0.7
109.06537	4.3
109.10160	1.8
111.08084	2.2
119.08606	3.9
121.06507	1.7
121.10159	12.5
122.02745	20.5
123.08075	2.3
123.11732	7.6
125.09641	18.9
127.03926	1.3
128.00429	0.5
131.08583	3.4
133.10159	3.5
135.08055	8.1
135.11710	4.1
143.08548	0.9
145.04932	1.0
145.10080	2.7
146.06633	0.5
147.11693	2.4
149.09636	9.2
149.13271	3.8
150.10400	0.7
151.11188	1.8
153.09134	5.5
157.06857	0.6
158.10968	3.5
163.11174	1.9
163.14864	5.0
165.12735	2.8
167.05206	1.1
167.10727	2.1
173.13290	17.0
191.14333	61.1
197.09938	0.7
208.30164	0.6
209.15393	100.0
210.15726	0.8
215.69395	0.6
223.11530	3.2
241.12631	6.4
250.56537	0.5
311.67859	0.5
330.17380	10.9
492.22272	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3735
Annotation	Lycernuic acid E
Peak:m/z	Relative Intensity
51.09200	1.8
55.05521	12.4
56.66121	1.9
57.07070	7.1
67.05511	28.0
68.10376	1.9
69.03436	3.1
69.07072	42.2
70.15948	6.5
79.05519	11.2
81.07063	49.7
83.05001	3.0
83.08616	15.7
85.06554	5.5
91.05499	11.1
93.07052	24.1
95.08616	87.3
97.06525	3.9
97.10188	5.1
101.06013	3.7
105.07039	15.7
107.08611	48.6
109.06544	4.7
109.10167	84.6
111.08107	5.1
111.11738	13.4
119.08590	30.9
121.06541	3.2
121.10156	44.4
123.08071	3.7
123.11703	32.1
123.12481	3.2
125.09646	17.0
131.08588	6.5
133.06514	2.3
133.10147	21.8
135.08107	3.9
135.11691	22.5
137.09593	4.0
137.13263	22.3
139.07581	2.3
145.10130	7.2
147.08061	5.8
147.11690	16.3
149.09663	3.8
149.13251	20.3
151.14850	4.9
153.09148	7.1
157.10141	4.5
159.11710	8.9
161.09666	4.8
161.13275	14.5
163.11218	3.6
163.14833	20.5
165.09171	3.3
168.63126	2.2
171.10214	25.8
171.11667	5.2
173.13303	6.0
175.11166	3.3
175.14832	9.7
177.12836	3.7
177.16348	11.1
179.14320	2.3
181.12257	3.7
183.11623	2.4
185.13289	2.6
187.14917	3.2
189.12791	4.8
189.16464	5.0
191.17961	8.2
193.12283	3.1
195.13812	4.8
197.11694	3.4
201.16382	4.0
203.14394	6.4
203.18036	8.0
205.15912	2.5
205.19539	32.1
207.13715	3.4
209.15350	3.2
213.16473	3.1
215.17952	3.7
217.12357	2.3
217.19579	4.7
219.21118	11.2
221.15437	6.7
223.13260	2.1
223.16931	3.3
229.19675	2.8
231.17484	4.3
231.21097	6.7
233.15491	3.3
233.22739	7.1
235.17131	2.2
245.18973	5.0
246.12297	1.9
249.14969	6.0
249.18608	6.4
253.14554	2.4
257.22791	2.1
259.20706	2.2
261.18512	3.4
263.20102	11.9
265.21680	3.7
271.24225	2.3
273.18588	3.1
275.20145	2.5
286.37637	2.1
289.21555	2.2
291.19540	7.3
309.20459	3.6
317.24576	3.7
331.26196	3.0
340.25320	2.2
345.24323	4.6
367.29782	2.3
385.30951	3.7
409.34689	6.4
413.34100	4.5
426.83908	2.1
427.35681	16.8
429.37268	3.4
437.34079	8.0
455.35144	36.0
473.36334	100.0
489.95248	2.4
491.37405	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	491.3736
Annotation	Lycernuic acid E
Peak:m/z	Relative Intensity
50.60561	1.7
55.05513	11.4
57.07062	4.0
67.05505	29.6
68.05853	2.1
69.07071	35.8
69.86587	8.0
71.05005	1.8
71.08657	2.7
79.05490	8.8
81.06591	2.7
81.07059	43.5
83.08614	9.5
85.06524	2.7
91.05486	6.9
93.07037	22.0
95.04980	1.7
95.08611	100.0
97.06516	1.8
97.10152	4.4
99.08102	2.1
105.07063	8.1
107.08588	39.2
109.06521	2.8
109.10162	94.7
111.08065	3.9
111.11733	17.9
113.09652	44.6
117.07023	1.8
119.08562	14.5
121.10157	28.9
122.13502	1.9
123.04358	1.7
123.08076	7.1
123.11706	40.9
125.09680	1.8
131.08560	3.2
133.10104	8.5
135.08044	4.1
135.11699	21.6
137.13252	21.3
139.07553	3.2
141.09105	67.5
143.08601	2.7
145.10130	3.9
147.11668	5.5
149.09645	3.6
149.13264	20.9
151.11169	2.3
151.14828	7.6
153.09125	4.0
159.10330	2.6
159.11697	5.3
161.13283	5.8
163.11221	1.7
163.14847	31.7
165.16393	4.1
169.12228	1.8
173.13287	3.3
175.11203	2.2
175.14862	2.0
177.12704	2.4
177.16411	7.3
179.17935	1.9
181.12263	4.6
187.14755	3.4
189.12828	4.0
189.16351	3.9
191.14371	2.5
191.17998	5.5
195.13818	7.2
203.17990	4.7
205.15781	2.8
205.19507	24.2
209.15359	5.8
217.12354	1.9
217.19443	2.3
219.21094	8.8
221.15370	2.3
223.16931	6.8
237.18532	2.3
263.20035	3.2
273.25763	17.7
287.27386	4.8
297.25708	4.0
315.26730	6.7
333.23972	2.4
333.27896	31.4
333.46121	1.7
409.34540	5.7
421.96283	1.6
427.35715	13.0
445.36609	2.9
455.35229	85.3
473.36322	44.3
491.30350	2.6
491.36618	17.3
507.74329	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3733
Annotation	Lycernuic acid E
Peak:m/z	Relative Intensity
54.82064	2.5
55.05515	16.7
56.64587	2.3
57.03429	2.5
57.07063	5.5
57.43216	2.4
59.04988	5.5
67.05510	20.8
69.03410	5.9
69.07076	28.3
69.49225	15.7
69.95876	2.5
71.04979	6.8
79.05488	12.1
81.07057	46.0
83.04983	8.4
83.08630	21.4
85.06548	34.6
90.46999	2.1
91.05475	18.7
93.07053	35.2
95.05004	2.9
95.08615	56.6
97.06544	7.0
97.10160	11.4
98.20796	5.4
99.08108	6.8
105.07045	26.8
107.08590	58.9
109.06554	4.4
109.10160	60.7
111.08085	33.4
111.11721	3.1
115.76221	2.6
117.07025	3.2
119.08596	43.7
121.10152	51.6
123.08061	3.5
123.11720	25.6
125.09630	50.2
127.11140	3.0
129.07011	2.9
129.09126	2.9
131.08546	12.8
133.10132	54.7
135.11700	34.1
137.09595	6.7
137.13211	11.5
139.07573	11.6
139.11105	3.9
145.10130	11.7
147.04413	9.3
147.11693	29.2
148.04718	5.5
149.09663	5.5
149.13242	21.4
151.11212	9.6
151.14821	4.7
153.12775	3.6
157.08606	25.5
157.10051	4.7
159.11664	20.6
161.13272	27.2
163.11166	4.0
163.14825	11.0
165.12769	9.7
171.10176	10.8
171.11597	4.1
173.13278	13.4
175.14813	17.6
177.12781	7.1
177.16389	8.6
179.14326	7.1
185.13284	2.9
187.14856	8.2
189.12694	3.3
189.16379	12.4
191.14323	3.9
191.17973	5.6
193.15878	4.5
199.14917	3.3
201.16454	13.0
203.17963	8.0
205.15869	5.0
205.19505	2.5
207.17427	7.9
215.18050	8.0
217.19600	2.7
219.17430	27.3
229.19521	7.0
231.21158	3.4
233.19003	8.5
235.16835	3.1
245.18973	4.9
247.20464	2.6
253.18027	4.4
273.22195	2.5
283.24121	2.9
301.25336	4.1
317.28436	6.0
341.28448	3.1
345.27957	14.9
361.31085	3.0
367.30029	4.2
385.31100	8.4
403.32114	55.5
409.34647	8.9
411.36258	3.7
427.35709	8.9
429.37088	7.5
437.34003	5.5
447.38159	6.5
455.35260	26.7
473.29416	4.8
473.36285	100.0
476.85391	2.6
491.30811	4.3
491.37427	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.9
54.15461	2.2
55.01863	2.2
55.05515	30.1
57.03428	9.6
61.30686	2.2
65.03936	2.7
67.05511	44.1
69.03421	3.1
69.07071	10.9
71.04990	4.2
79.05492	51.7
81.03422	47.4
81.07060	55.5
83.04977	9.5
83.08622	26.9
85.06527	6.5
91.05486	70.1
93.07056	42.5
95.04968	27.4
95.08620	23.6
97.02917	2.5
97.06511	5.6
97.10174	15.3
103.05476	3.0
105.07037	43.4
107.04946	6.1
107.08590	20.5
109.06503	8.3
109.10145	6.7
111.08083	8.1
111.12784	2.1
115.05456	2.7
117.07013	20.2
119.04957	3.8
119.08585	25.5
121.06500	10.7
121.10119	7.3
123.08138	3.3
123.11709	17.6
125.09631	7.8
127.07561	3.6
128.06200	3.3
129.06995	19.9
131.08578	13.9
133.06544	3.0
133.10124	9.8
137.09621	3.5
139.07576	2.2
141.06973	4.8
143.08588	12.3
145.06410	5.9
145.10112	10.1
147.08115	4.7
147.11682	21.6
149.09630	3.1
155.08516	3.6
157.06593	3.7
157.10109	7.9
159.11711	4.0
161.13280	5.3
163.11128	3.9
167.08539	2.8
169.10120	4.1
171.08017	3.6
171.10391	2.4
171.11635	12.3
175.11183	5.6
179.08565	2.6
185.13297	3.8
187.13313	9.3
189.12738	8.6
193.12248	15.9
207.13792	16.7
227.12804	6.5
231.13751	6.3
243.15953	7.5
247.16905	3.3
249.14810	11.1
267.15909	42.2
277.17984	4.3
281.17526	33.7
305.17426	7.8
355.12689	2.7
363.23077	3.3
381.24149	4.3
399.25220	10.6
417.26291	5.5
421.25720	3.2
455.27557	2.9
473.28961	100.0
491.29648	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	491.3008
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03951	2.9
55.01872	5.1
55.05270	2.0
55.05518	27.0
57.03441	5.4
59.05011	1.7
65.03947	1.9
67.05512	31.0
67.77498	1.6
69.03437	2.6
69.07080	9.7
71.05011	11.7
71.39806	1.5
79.05071	2.4
79.05503	33.0
81.03419	5.3
81.07070	34.1
83.04988	5.3
83.08624	9.8
85.06575	4.9
91.05492	24.9
93.07052	38.5
95.04980	14.9
95.08619	16.5
97.06560	4.5
97.10178	17.8
99.64513	1.4
103.05458	1.7
103.51142	1.5
105.07040	15.7
107.04969	34.2
107.08598	17.4
109.06546	15.4
109.10170	7.7
111.04487	1.5
111.08100	4.3
115.05441	2.0
117.07028	10.8
119.08622	9.8
119.09335	1.7
121.06519	27.6
121.10146	19.9
123.04548	1.8
123.08091	4.0
123.11732	3.3
125.09648	13.5
129.07037	6.5
130.07837	1.5
131.04961	2.3
131.08583	19.4
133.06500	4.8
133.07472	1.7
133.10153	5.7
135.08060	9.9
135.11743	2.2
137.06035	2.5
137.20050	1.4
139.11235	3.6
141.07036	3.7
141.38943	1.7
143.08563	4.5
145.06482	10.9
145.10130	9.1
147.08080	4.9
147.11670	3.9
149.05977	2.5
149.09637	7.1
151.07555	2.6
153.09273	3.1
155.08649	4.5
157.10129	1.9
159.08101	7.2
159.11722	4.4
161.05942	1.9
161.09695	2.1
163.11200	5.0
165.09186	3.1
167.10716	5.4
169.10191	1.6
171.08075	3.4
171.11737	1.8
173.09647	3.3
173.13313	5.5
175.07602	3.3
175.11272	2.2
181.10187	1.9
183.44093	1.6
185.09743	2.5
185.13324	3.3
187.11156	2.7
189.11261	4.6
189.12820	1.8
191.14384	4.8
193.12340	3.7
195.11743	2.9
197.09689	1.9
197.13321	2.1
199.11369	3.4
199.13370	5.9
203.10750	2.1
215.14339	2.1
219.13881	11.2
227.14574	1.9
233.15434	3.6
237.12761	2.1
237.14891	1.8
245.15509	2.0
247.17003	2.4
249.14864	8.1
255.13814	2.0
271.16953	2.2
273.14856	9.8
275.16544	7.9
278.74799	1.6
339.23401	5.0
349.21619	13.8
357.24588	2.5
367.22708	26.9
385.23721	32.8
385.28372	1.9
399.25504	3.3
403.25012	7.1
417.26520	3.5
441.26547	8.8
459.27457	100.0
473.29156	5.1
491.30173	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3005
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03948	12.3
55.01878	3.3
55.05515	35.2
57.03440	12.7
57.07066	2.3
65.03944	4.3
65.47729	2.3
67.05513	64.0
69.03421	4.0
69.07074	15.2
70.42848	2.2
70.71906	5.4
71.04992	8.9
77.03935	4.0
79.05499	91.3
81.03427	79.7
81.07063	74.2
83.04987	16.6
83.08625	26.5
85.02932	12.2
85.06534	5.5
89.02195	2.3
90.50819	2.1
91.05489	100.0
93.06480	4.1
93.07053	69.2
95.04974	36.9
95.08606	29.6
97.06525	6.2
97.10190	11.2
105.07037	66.7
107.04974	11.2
107.08609	23.0
109.06528	12.9
109.10152	10.1
111.04463	2.3
111.08057	7.2
115.05446	3.4
117.07023	22.7
117.90400	2.2
119.08595	37.7
121.06503	6.8
121.10139	12.3
123.08056	9.2
123.11674	13.2
125.09647	7.3
128.06198	3.6
129.07016	30.9
131.08563	17.8
132.45731	2.4
133.06523	4.7
133.10135	18.9
135.08081	3.4
135.11697	3.2
138.48811	2.2
143.08572	13.7
145.06551	3.3
145.10153	14.0
147.08032	6.2
147.11697	43.3
149.09599	7.1
155.08496	3.0
157.06421	2.8
157.10124	12.9
161.09587	5.6
161.13283	11.1
163.11258	2.7
165.12790	2.4
169.10130	4.6
171.11688	28.0
175.11200	9.0
185.13263	4.8
187.13292	8.2
189.11307	2.7
189.12730	12.5
193.12267	36.9
205.21873	2.4
207.13821	29.5
211.13277	27.1
219.11737	2.3
227.12718	7.7
229.15936	2.4
243.15875	3.0
247.16885	4.3
249.14908	7.8
267.15918	37.6
281.17496	34.0
305.17480	7.8
341.73297	2.3
363.23096	4.9
381.24637	3.8
399.25272	6.3
403.24545	2.9
455.28006	3.3
473.29028	87.4
491.30084	62.7
495.92209	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01880	0.8
55.05515	6.4
57.03434	3.1
57.07080	0.8
65.03938	1.4
67.05509	10.6
67.05875	0.6
69.07070	8.4
70.11687	1.4
71.04986	1.1
79.05500	5.6
81.03419	1.9
81.07063	12.0
83.04970	1.3
83.08627	5.6
85.06571	0.9
91.05486	12.9
91.21616	0.4
93.07040	6.4
95.04974	1.3
95.08067	0.7
95.08614	9.8
97.06541	1.3
97.10181	3.9
98.20903	0.6
105.07031	3.8
107.04993	0.9
107.08591	3.6
109.06541	1.4
109.10156	4.1
111.08067	1.0
111.11702	1.2
117.07010	1.2
119.04945	17.0
119.08599	3.1
121.06485	1.0
121.10151	4.2
123.08067	0.9
123.11732	2.4
125.09621	0.7
127.07576	0.5
128.44055	0.4
129.06998	0.9
131.08565	1.2
133.06485	0.5
133.10149	2.9
135.08060	0.5
135.11676	3.8
137.09641	0.8
137.13295	1.0
143.08597	0.9
145.10101	0.8
147.04417	100.0
147.11703	3.1
149.13263	0.8
151.11174	0.9
153.12666	0.5
157.10033	0.5
159.11745	0.5
161.13263	1.7
165.05493	12.8
165.09135	1.9
171.11740	1.3
173.13202	0.5
175.14798	0.5
179.14299	0.5
193.12308	1.2
203.10794	0.5
207.13843	1.2
211.13248	0.6
217.19524	2.8
221.08047	1.2
235.20596	3.2
238.42125	0.4
252.84085	0.4
253.21642	1.3
267.15823	0.6
281.17587	0.9
309.24405	2.2
327.25336	17.3
427.87491	0.5
455.31424	0.6
459.27475	0.8
473.28876	3.1
491.29962	5.5
500.44189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3576
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
50.56004	0.8
51.02387	0.6
53.03937	2.4
55.01868	1.4
55.05513	13.2
57.03442	3.6
57.07076	1.2
59.04994	1.8
61.02899	0.7
65.03938	2.9
67.05507	68.7
69.03419	0.9
69.07072	10.9
71.04977	2.3
77.03928	1.2
79.05497	22.3
81.03381	0.6
81.07061	29.0
83.04970	1.3
83.08630	6.4
85.06552	2.3
87.04429	0.7
90.26147	0.6
91.05488	18.8
93.07047	27.6
95.04961	1.6
95.08607	21.6
97.06525	2.5
97.10171	3.2
99.08058	0.8
105.04514	0.9
105.07037	16.8
107.08600	14.5
109.06543	1.0
109.10162	37.1
111.08077	2.6
115.05477	0.7
117.07018	7.5
119.08585	18.5
121.10146	11.7
123.08120	1.0
123.11723	2.0
125.09671	1.5
129.07027	3.1
131.08577	11.9
133.10121	12.5
135.11684	6.7
137.09604	1.3
139.11208	1.9
141.07016	0.8
143.08585	4.0
145.10132	10.3
147.11687	8.0
149.13235	4.7
155.08568	1.2
155.10701	2.4
157.10141	3.0
159.11688	8.4
161.13242	3.8
163.14886	1.5
169.10121	2.3
171.11691	4.5
173.11758	8.8
173.13274	6.2
175.14836	1.9
183.11743	2.3
185.13318	3.1
187.14801	3.7
189.16501	0.7
191.14363	0.7
195.11691	0.9
197.13332	2.0
199.14874	2.0
201.16444	2.0
211.14926	1.5
213.14684	1.3
213.16476	1.4
221.88736	0.6
225.16418	1.5
239.17975	1.3
243.21146	0.9
259.20566	1.0
261.22198	3.6
269.22775	0.7
271.20645	0.7
277.21768	0.7
285.22174	1.8
299.23599	1.3
303.23230	0.9
304.19501	0.8
317.24710	1.9
329.08264	0.7
337.42444	0.6
356.23346	0.7
377.26926	1.6
379.30017	5.1
391.28384	0.9
397.31018	8.2
415.32144	2.5
431.31387	0.8
433.33191	1.0
471.34814	8.0
489.35776	100.0
490.35785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3577
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03930	1.4
55.01871	1.1
55.05509	13.2
57.03427	2.6
57.07056	1.4
59.04998	1.3
63.89980	0.8
65.03934	2.2
67.05507	55.0
69.07069	11.0
71.04987	3.1
71.53694	1.1
79.05499	22.5
79.93902	0.7
81.07058	27.8
83.04982	1.4
83.08632	6.0
88.62117	1.0
91.05479	18.6
93.07046	21.8
95.04955	2.1
95.08610	20.7
95.09183	1.7
97.06525	1.3
97.10171	2.9
103.05444	1.0
105.04460	0.9
105.07038	15.1
107.04956	1.1
107.08596	13.8
109.06490	1.1
109.10163	30.1
111.08067	1.8
112.15121	0.9
117.06976	4.8
119.08582	20.6
121.10152	12.5
123.11703	1.6
125.09624	1.4
129.07027	2.4
130.56146	1.0
131.08598	8.1
133.10158	9.7
135.08067	1.7
135.11719	5.2
137.09622	2.9
137.13367	0.8
139.11229	0.9
143.08607	3.5
145.10130	10.5
147.08102	0.8
147.11690	8.0
149.09668	1.0
149.13257	4.1
149.17229	0.8
155.10706	1.8
157.10135	4.3
159.11678	8.8
161.13280	3.6
169.10127	2.1
171.11716	2.3
173.11749	6.0
173.13298	4.8
175.14844	1.6
183.11732	1.8
185.13295	3.0
187.14819	2.6
197.13283	2.5
199.14865	1.5
213.14810	1.8
243.21083	1.4
259.20654	1.6
261.22083	2.5
285.22119	1.5
297.21756	0.8
315.23135	1.0
317.24899	1.4
377.26944	1.2
379.29919	4.9
389.43686	0.9
397.31128	8.9
415.32132	1.4
435.32236	1.2
451.04526	0.9
469.76620	1.1
471.34723	8.6
489.35803	100.0
490.36124	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	489.3577
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03941	1.2
53.94101	0.8
55.01873	1.8
55.05512	12.9
57.03436	3.8
57.07081	1.9
59.04990	1.5
65.03932	1.4
67.05508	41.5
69.07071	11.8
71.04984	1.6
79.05495	20.6
81.07053	29.1
83.04996	1.3
83.08598	5.3
85.06556	1.9
91.05481	16.9
93.07040	21.1
95.04957	1.4
95.08611	19.5
97.06529	3.2
97.10168	2.9
97.97025	0.8
98.21532	2.1
100.34569	0.8
105.04527	1.0
105.07034	18.6
107.08596	13.0
109.06581	0.9
109.10155	22.0
111.08083	1.3
117.07001	4.9
119.08584	19.3
119.54626	0.8
121.10149	12.0
123.08061	1.2
123.11718	2.3
125.09599	1.6
128.06247	1.4
129.06999	4.0
131.08569	13.2
133.10141	12.5
135.11707	6.5
137.09621	1.9
139.11223	2.5
141.06906	1.0
143.08568	4.3
145.10127	14.0
147.11700	10.2
149.13278	3.5
155.08582	2.9
155.10637	0.9
157.10107	4.8
159.11688	9.4
161.13202	5.3
163.14859	1.1
169.10139	3.4
171.11722	5.6
173.11749	5.1
173.13293	5.3
175.14861	2.0
175.81985	0.9
177.16371	0.9
183.11760	2.8
185.13297	4.7
187.14877	3.3
189.16333	1.5
195.11864	0.9
197.13387	1.3
199.14880	2.7
201.16370	1.2
211.14903	1.2
213.14859	3.1
213.16519	1.9
217.15871	0.8
223.14969	1.1
225.16333	1.5
229.14133	1.0
241.19650	1.9
253.19579	1.0
259.20505	2.3
261.22165	2.2
268.03345	0.9
273.22150	1.4
285.22046	1.9
298.31738	0.9
299.23755	1.3
346.99869	1.0
377.26959	1.7
379.29947	6.6
397.31058	12.4
415.32147	3.3
433.33112	1.6
453.33456	1.7
471.34738	10.9
489.35797	100.0
490.36246	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
53.99784	2.0
55.01865	3.8
55.05515	24.7
57.07080	12.7
59.04990	4.1
65.03943	2.6
67.05184	2.7
67.05512	35.4
69.03435	2.8
69.07074	84.6
69.89573	9.6
71.08611	6.0
79.05498	18.4
81.03414	5.1
81.07062	100.0
83.04968	3.0
83.08617	28.1
85.02916	11.4
85.06531	10.1
91.05479	13.9
93.07050	39.2
93.30610	1.9
95.04971	5.5
95.08611	93.4
97.06530	6.0
97.10172	18.6
99.08094	13.0
105.07028	17.5
107.08591	34.1
107.47829	2.4
109.06519	4.3
109.10158	51.0
111.08075	6.0
111.11726	17.1
119.08577	9.9
121.06561	3.0
121.10146	27.3
123.08046	2.5
123.11720	26.4
125.09639	5.4
125.13309	3.5
127.03932	2.6
127.11290	2.4
131.08519	2.4
133.10139	9.8
135.11684	22.4
137.05969	2.7
137.13254	23.0
139.11157	9.0
147.11694	9.4
149.09671	2.9
149.13231	23.3
150.14775	2.2
151.14801	8.5
153.12868	2.2
153.37022	1.9
157.06688	2.0
157.10109	2.9
157.12256	3.3
159.11789	3.2
161.09605	2.2
161.13271	7.8
163.14851	14.7
165.09163	3.4
165.16364	4.3
167.14200	2.9
175.14825	3.5
177.16388	6.3
189.16383	5.2
191.17963	4.2
193.12070	2.5
203.17947	3.6
209.19107	2.7
217.19479	3.8
261.25949	3.3
273.25705	8.3
279.26840	5.8
287.57999	2.3
291.26804	20.0
294.04932	2.4
297.27896	60.4
309.27896	39.6
327.28796	5.3
489.15366	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	489.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.1
53.11857	1.5
55.01867	1.9
55.05514	54.2
57.03434	3.0
57.07070	6.3
59.04967	2.3
65.71781	1.3
67.05181	1.6
67.05507	21.4
69.03423	7.2
69.07070	38.8
71.04982	5.7
71.53255	1.8
78.01803	1.4
79.05486	11.5
81.03424	1.9
81.07059	62.4
83.04963	3.9
83.08613	10.7
84.99170	1.4
85.02895	3.3
85.06533	8.7
91.05470	10.8
93.07047	21.7
95.04954	10.8
95.08610	53.4
97.06528	8.5
97.10172	100.0
99.08073	4.0
101.06012	2.7
105.07036	20.1
106.06539	2.1
107.08605	21.7
109.06503	4.4
109.10149	30.0
111.08066	4.3
111.11720	2.6
119.08582	14.9
121.09345	1.5
121.10165	17.1
123.08050	5.7
123.11713	26.1
125.09631	25.6
127.03940	1.6
131.08548	5.5
131.40341	1.2
133.10121	9.5
135.08049	2.2
135.11713	8.9
137.05954	2.3
137.09613	3.3
137.13277	6.5
139.07497	1.4
139.11192	9.4
141.09074	5.3
143.08600	1.3
143.10667	29.2
145.10187	7.6
145.11250	1.8
147.04424	1.6
147.11697	14.3
149.09615	2.4
149.13290	10.4
151.07521	4.3
151.11163	1.6
151.14830	4.4
153.12781	1.6
155.10597	1.9
157.10127	3.2
157.12259	4.4
159.11690	10.5
161.09674	1.8
161.13254	8.0
163.11188	4.3
163.14786	3.4
165.09146	7.1
165.12738	9.3
167.14349	1.5
171.10159	5.9
171.11533	1.7
173.13249	4.5
175.14868	3.5
177.12740	4.9
177.16391	2.2
179.14366	2.6
183.13824	3.3
185.13152	1.6
187.14781	4.0
189.11221	12.0
189.12784	2.1
189.16370	1.8
191.14337	1.7
193.15865	1.9
195.13780	1.4
201.16440	3.5
203.12776	2.2
205.15860	2.5
211.14932	1.9
219.17445	2.6
229.15898	2.3
243.17393	1.6
247.16898	2.2
255.12271	3.4
257.13849	17.2
257.22742	1.8
267.12216	2.0
267.20959	2.4
271.15457	1.8
273.22183	1.4
275.23636	3.8
285.13348	26.0
285.22058	4.4
291.23218	8.1
303.23181	21.3
309.24194	2.7
313.06866	2.4
321.24265	20.7
339.25293	2.0
357.31680	1.4
423.27255	2.6
435.27451	5.9
441.28436	11.4
453.28506	25.8
471.29221	3.9
489.23184	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	489.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
54.09006	1.7
55.01862	2.4
55.05512	58.6
57.03431	3.1
57.07074	8.4
59.04993	2.3
65.03944	2.3
67.05505	23.2
69.03436	10.1
69.07075	39.9
70.06580	2.3
70.21663	4.0
70.22031	3.8
71.04996	7.0
71.18867	1.7
79.05496	12.7
81.03416	2.2
81.07062	67.2
81.91454	1.9
83.04999	3.7
83.08634	11.2
84.04526	4.4
85.02906	7.4
85.06538	8.6
86.06068	2.4
86.09705	6.0
91.05489	14.2
93.07048	24.5
95.04967	4.0
95.08613	61.8
97.02897	3.2
97.06526	7.6
97.10175	100.0
97.96186	2.0
99.04487	3.0
99.08097	4.4
105.07045	19.1
107.08594	27.4
109.06528	5.3
109.10156	28.2
111.04512	2.2
111.08125	4.8
111.11701	5.6
111.83128	2.1
112.81992	1.9
119.04961	4.6
119.08567	16.6
121.10154	18.4
123.04469	4.9
123.08076	5.7
123.11708	29.3
125.09641	25.1
127.87729	2.2
128.10698	2.7
130.06543	5.9
131.08554	3.5
132.08070	12.5
133.10132	8.3
135.11667	15.7
137.09619	4.5
137.13268	4.8
139.03958	3.8
139.11174	11.8
141.09099	4.4
142.06546	2.2
143.08643	2.9
143.10683	32.9
144.08101	8.6
145.10143	5.6
147.04433	21.9
147.11687	10.0
149.09598	2.5
149.13257	13.5
151.07578	3.3
151.11172	4.4
151.14841	5.1
153.12759	5.8
157.10217	2.1
157.12233	2.8
159.09189	38.1
159.11694	7.5
161.13283	8.6
163.11249	2.6
163.14868	3.0
165.09174	3.7
165.12776	9.5
167.14340	2.8
170.06035	7.9
171.10196	6.8
173.13246	3.7
175.14821	4.9
177.12703	4.0
179.03419	4.0
179.14371	2.6
183.13797	2.6
187.08742	3.0
187.14883	4.7
189.11238	10.7
189.12724	2.4
189.16234	3.7
203.18042	3.8
219.17426	2.7
239.12767	2.9
249.22362	2.2
257.13831	21.2
273.22348	2.5
275.23679	3.4
277.21570	2.5
281.15231	4.0
285.13373	26.2
285.22049	4.8
291.23270	5.5
303.23172	18.9
309.24298	2.7
309.27679	3.3
317.11383	12.1
321.24203	18.8
334.14066	8.1
423.27277	2.4
435.27478	4.9
441.28458	8.9
453.28461	25.2
471.29599	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	486.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.5
55.05510	4.9
57.03427	7.4
67.05508	5.9
69.03435	16.2
69.07061	3.0
70.06611	2.3
71.04985	2.8
71.53541	2.7
75.04500	10.1
79.05496	24.1
81.03424	11.0
81.07058	13.1
83.04969	2.1
85.02913	9.2
86.09723	2.8
91.05504	17.7
93.07052	100.0
95.04974	4.4
95.08627	9.6
97.02881	6.4
97.06541	11.7
99.04456	4.1
105.07037	15.4
107.04968	2.5
107.08611	17.0
109.02889	5.8
109.10161	8.0
111.04452	4.2
111.08073	6.5
117.07005	3.6
119.08598	26.9
121.06530	3.8
121.10152	97.9
123.08070	3.1
123.11726	5.4
125.05996	9.0
127.03914	5.6
131.08553	2.4
133.10152	4.0
139.03900	2.6
139.11215	2.7
145.04961	3.6
147.04439	3.3
147.11720	3.8
149.09634	17.4
151.11183	2.0
153.05482	53.0
159.11699	2.2
161.05949	1.9
161.13298	2.7
163.03923	7.6
165.05460	2.3
167.10695	24.7
177.05534	6.2
179.14345	2.5
191.07074	6.6
193.05107	2.5
193.08641	10.4
199.07404	2.4
219.06566	4.2
219.17561	2.6
220.17813	2.9
228.99252	2.3
231.06548	4.5
233.08058	2.8
233.11761	5.7
239.10724	2.0
249.07678	3.2
251.12796	3.4
259.09589	13.5
260.57108	1.9
261.07422	2.5
261.14948	4.8
271.13226	3.2
289.14362	12.1
293.13840	6.0
311.14926	8.1
411.52570	2.0
415.17465	4.7
433.18637	2.7
451.46243	1.9
486.20630	2.6
495.68213	2.0
512.66974	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	487.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.5
55.01877	9.4
55.05504	20.2
57.03450	9.4
67.05517	34.9
69.03435	19.7
69.07077	37.8
69.62026	7.9
69.62441	22.0
70.06611	4.8
71.04993	15.6
73.02924	5.7
79.05502	25.7
81.03428	19.0
81.07068	100.0
83.04973	5.6
83.08638	10.7
84.67084	4.4
85.02913	48.2
85.06557	10.7
87.00833	21.9
88.57386	4.7
91.05508	36.2
93.07054	64.2
95.05015	9.9
95.08620	60.5
97.02900	14.5
97.06541	10.1
97.10187	6.8
99.04459	8.3
99.08076	9.2
101.94471	4.6
105.01887	24.8
105.07033	55.7
107.04967	8.3
107.08597	69.8
109.02906	11.9
109.10165	59.2
111.08067	13.7
112.99065	3.8
115.03921	7.4
119.04956	23.4
119.08595	58.6
119.94151	5.4
121.06530	6.8
121.10155	39.8
123.08067	7.8
123.11723	29.6
125.09614	8.7
127.03932	14.4
127.11191	17.4
131.08606	9.0
133.10153	45.6
133.48657	4.1
135.08173	4.2
135.11716	66.1
137.09692	5.4
137.13315	7.2
139.03838	12.2
143.10672	7.2
145.05013	12.7
145.10158	17.0
147.04424	69.1
147.11688	45.9
148.12071	5.8
149.09671	6.2
149.13309	18.5
151.11115	6.4
157.10094	5.1
159.03065	4.5
159.04422	8.1
159.11699	11.5
161.13289	20.2
163.11205	5.8
163.14838	7.1
165.09102	5.3
165.12900	5.1
171.11771	4.8
173.09613	4.9
173.13251	4.5
175.14905	6.6
177.44524	4.1
189.12808	5.7
201.16386	5.9
203.17958	68.4
204.18320	10.5
215.17885	4.7
219.17429	32.4
220.17792	23.1
221.19193	38.4
231.76126	4.3
248.98677	5.3
277.21854	5.3
285.84781	5.0
325.27170	6.4
330.22510	4.5
338.22501	4.6
339.62787	4.8
369.71094	4.8
373.15292	7.8
415.31500	5.1
487.20474	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	486.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01850	0.9
55.05515	6.9
56.05010	1.1
56.17532	0.9
57.03421	2.1
57.07067	2.1
58.99587	13.9
67.05508	36.6
69.03432	2.1
69.07077	5.8
71.04980	1.8
71.40778	1.5
72.08150	1.9
76.02232	65.9
76.03992	2.1
79.05504	8.9
80.05017	1.0
81.07061	29.2
83.04956	1.5
83.06090	3.1
83.08605	3.5
84.04508	18.7
85.01129	1.4
85.02894	1.2
86.99054	3.7
87.02683	1.0
88.02206	3.0
91.05473	7.6
93.07043	12.9
95.04978	3.8
95.08611	46.9
96.08897	0.8
97.01105	0.9
97.06519	3.0
99.05600	1.7
105.07032	9.9
107.08602	5.9
108.08141	1.0
109.06522	2.1
109.10167	30.5
111.02801	0.8
112.03959	1.0
113.04230	1.6
115.01331	0.9
116.00901	1.4
116.01686	24.7
116.02498	1.3
117.07025	1.3
119.08592	14.3
121.10155	5.4
123.08077	4.5
123.11697	1.3
127.03870	1.3
129.06593	3.1
130.04999	6.5
130.06850	3.6
130.08678	1.0
131.08548	1.7
133.10178	4.3
134.09662	3.3
135.11708	2.2
137.09608	3.4
139.05763	1.7
141.07306	1.2
142.03226	7.5
144.01135	13.0
145.04976	1.3
145.06096	1.3
147.11685	3.0
149.09639	1.3
151.14827	18.2
157.10141	2.0
161.13264	12.8
162.02208	39.6
163.03902	1.6
167.05284	1.9
170.02745	3.1
179.04863	100.0
179.14314	31.2
187.05341	3.6
203.14301	2.4
203.17947	3.4
215.04875	1.3
233.05920	12.8
233.09583	1.0
236.14706	3.6
237.13126	5.1
241.08749	0.9
245.05911	2.2
254.15733	2.6
259.09634	1.7
285.31744	0.8
290.17535	2.2
291.06497	2.1
308.09140	18.3
339.17358	17.7
340.65692	0.8
342.11026	0.8
357.18396	2.3
362.00943	1.0
393.18280	3.0
411.19452	15.3
468.21579	9.7
486.22525	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	485.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01867	0.9
55.05313	0.4
55.05516	4.4
57.03426	0.7
57.07055	1.2
57.48799	0.4
65.03935	0.7
67.05511	8.3
69.03430	15.3
69.07076	5.5
70.75601	1.0
70.75969	0.8
71.04987	1.0
73.02909	0.7
79.05497	3.7
81.03426	3.4
81.07059	8.9
83.04960	2.2
83.08623	1.6
85.02909	8.9
85.06557	4.2
87.00823	2.3
91.05484	5.9
93.07048	22.8
95.04948	1.6
95.08610	8.8
97.02907	2.3
97.06527	2.6
97.07127	0.4
97.10166	2.4
99.04451	1.1
105.01868	5.5
105.07035	5.4
107.04951	1.2
107.08598	17.4
109.02900	3.2
109.06526	4.5
109.10163	25.2
111.04414	0.5
111.07373	0.7
111.08087	9.9
111.11650	0.6
117.06996	1.2
119.04913	1.2
119.08599	7.0
121.06539	4.1
121.10149	14.8
123.08067	5.5
123.11709	7.2
125.09635	2.2
127.03918	5.9
131.08575	2.7
133.10120	3.3
135.08064	11.4
135.11694	26.4
137.09631	8.6
137.13289	0.6
139.11186	1.1
145.04988	2.4
145.10121	5.4
147.04411	5.9
147.11713	1.1
149.09586	2.5
149.13295	3.3
151.11136	0.5
157.10121	0.5
159.02898	0.7
159.11693	5.3
161.09615	1.7
161.13254	5.5
163.03854	0.5
163.11180	12.9
163.12549	0.7
173.13284	1.0
175.14861	1.6
176.11986	1.5
177.12752	1.0
177.16383	6.6
179.63943	0.4
191.17972	1.5
201.16368	7.3
213.04005	0.5
219.17445	100.0
220.17851	0.7
231.04968	3.3
237.18494	1.4
242.23416	0.4
249.06134	1.5
275.20081	0.8
300.75677	0.4
308.87115	0.4
311.84076	0.5
449.24930	0.5
467.26321	1.0
485.24078	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01870	1.2
55.05276	0.7
55.05518	8.1
56.05032	0.9
57.03437	1.6
57.07077	1.3
57.98802	1.2
58.99591	13.7
67.05512	33.7
69.03416	1.7
69.07078	5.5
69.42873	4.6
71.04989	1.7
72.08150	1.5
73.01155	0.8
76.02235	65.0
76.04012	3.1
79.05497	9.1
81.07066	24.6
83.04989	1.4
83.06120	3.5
83.08635	4.2
84.04511	21.6
85.01138	0.8
86.99081	4.7
87.02696	1.1
88.02231	1.2
89.06038	0.7
91.05496	6.9
93.07056	9.0
95.04981	4.1
95.08617	43.4
97.06525	2.3
99.05576	1.7
99.09844	0.7
105.07035	10.4
107.08602	6.3
108.08128	1.0
109.06529	4.3
109.10165	32.6
111.08116	1.0
112.03968	1.5
113.04244	2.2
114.03785	1.0
116.01690	22.5
117.07053	1.2
119.08597	12.2
121.10128	3.9
123.08074	3.3
129.06610	4.2
130.05026	6.3
130.06868	2.6
130.08643	1.7
133.10147	4.4
134.09666	2.6
135.08083	0.9
135.11688	1.6
137.09642	3.6
137.13249	0.9
139.05751	1.7
141.04849	1.2
142.03271	4.3
144.01167	9.7
145.06110	1.5
146.02631	0.7
147.11719	0.9
149.09621	1.3
151.09734	0.7
151.14838	21.2
161.09708	0.9
161.13269	8.8
162.02226	40.5
167.05318	1.0
170.02724	3.0
178.15962	1.3
179.04872	100.0
179.14333	34.6
179.15565	0.7
187.05371	3.6
203.14346	1.3
216.06976	1.7
219.17453	1.3
220.17841	2.0
233.05949	17.2
233.09557	1.0
236.14726	2.1
237.13139	2.0
245.05925	3.1
254.15759	0.8
290.17474	0.8
291.06473	1.9
308.09143	19.8
339.17380	15.7
339.21179	1.3
351.07147	0.7
357.18445	3.1
393.18573	1.7
396.48410	0.8
411.19495	17.4
468.21561	6.8
486.22818	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	483.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11920	0.7
52.04716	0.7
55.05515	18.8
57.03446	6.0
57.07084	9.8
67.05493	3.0
69.07072	22.0
70.03535	2.9
71.08641	5.2
79.05493	2.2
81.07064	4.8
83.08160	1.0
83.08627	20.0
85.10168	1.9
93.07038	2.7
95.08604	4.1
97.06520	1.5
97.10176	15.8
98.98470	8.1
107.08620	2.9
111.11748	4.2
121.10153	2.6
123.11705	0.6
128.62856	0.7
128.63948	0.6
135.11691	1.9
149.13252	0.8
155.01045	5.3
173.02107	1.7
219.21277	0.7
227.20047	1.4
228.20494	1.2
237.22273	1.3
239.26234	0.7
247.05789	1.0
256.80255	0.6
311.25824	100.0
403.91364	0.7
447.25174	4.3
467.68994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.05506	1.6
57.03434	0.6
57.07070	0.8
60.14188	0.4
62.32952	0.3
67.05501	1.8
69.03424	3.5
69.07063	2.7
69.70203	0.4
70.56256	0.5
70.56582	0.7
71.05003	0.8
79.05511	2.4
81.03420	0.8
81.07061	4.3
81.20988	0.3
83.04980	0.9
83.08610	1.6
83.32545	0.3
85.02913	3.4
87.00819	1.6
91.05480	2.3
93.07049	7.1
95.04950	0.6
95.08620	3.4
97.02877	1.3
97.06519	0.9
97.10155	0.6
99.04458	0.6
105.01865	2.6
105.07021	3.2
107.08601	11.1
109.02876	0.9
109.06503	0.5
109.10169	2.7
111.08100	0.8
117.07005	1.0
119.08578	5.7
121.06488	1.3
121.10148	12.9
123.04411	0.8
123.08055	1.8
123.11699	1.7
125.09595	0.4
126.08067	0.4
127.03923	2.6
128.28345	0.4
129.06946	0.4
130.07880	0.5
131.08560	1.3
133.10127	2.8
135.08044	1.5
135.11703	4.2
137.09642	1.9
139.03970	0.5
143.08556	0.5
145.04961	0.8
145.10112	3.9
147.04413	1.1
147.11691	1.6
149.09666	2.9
149.13240	1.2
151.11200	1.3
157.10136	0.5
159.11702	3.7
161.09633	0.8
161.13266	1.2
163.03905	0.6
163.11191	15.6
173.13315	0.5
175.14851	1.4
177.12759	5.0
177.16393	2.6
191.17931	0.5
201.16383	3.0
204.15054	0.7
219.17447	100.0
220.17828	0.9
226.41287	0.4
227.45917	0.4
231.05038	0.4
237.18524	2.7
275.20093	0.5
277.10062	0.3
278.99362	0.4
452.38739	0.5
485.19769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	1.0
57.07058	1.9
61.02911	1.0
67.05492	0.8
68.99768	0.9
69.03413	1.4
69.98066	2.7
70.04927	0.5
79.01835	1.2
79.05444	0.6
81.03385	1.9
81.07061	0.8
85.02907	3.3
87.00820	0.9
91.05431	0.7
93.07050	0.9
95.04971	0.7
95.08596	1.3
97.02876	0.6
103.03925	1.1
109.02885	0.8
111.04431	0.6
119.08552	1.1
129.01802	1.1
131.08533	0.7
135.04430	0.7
139.03879	2.1
147.04427	0.9
151.03876	1.7
158.76437	0.6
163.03833	1.7
165.01820	1.9
165.05385	0.8
177.05470	1.7
189.03951	0.6
189.05566	0.7
191.03380	2.9
191.10716	0.9
205.04951	1.9
206.05736	1.4
207.10126	2.3
217.04958	3.7
217.15985	0.8
218.05748	5.8
219.06593	7.2
219.09991	1.3
220.07336	13.4
220.10831	0.7
223.09616	0.7
229.05006	1.6
230.05760	2.3
231.06538	2.9
231.10146	1.8
232.07285	2.0
233.04465	0.7
234.08844	1.2
235.09659	5.6
241.04861	0.9
243.06621	1.2
244.07361	1.0
247.06067	3.9
247.09669	59.4
248.06842	8.6
248.10408	7.5
257.08151	1.4
258.08847	2.0
259.09671	32.6
260.06784	0.8
261.11224	12.4
269.11752	0.7
271.06165	0.7
271.09665	2.0
272.06717	0.8
272.10651	1.2
273.08334	0.6
273.11102	3.6
275.09161	3.5
277.10718	100.0
278.10977	0.8
287.09479	1.3
287.12747	7.6
289.10773	3.8
291.12085	1.1
297.11203	1.6
299.08786	0.9
301.10699	17.0
307.11813	3.4
315.12344	3.1
319.11844	1.3
325.10751	3.6
327.12350	1.3
331.11832	1.8
343.11816	9.3
361.12808	5.0
379.13965	1.8
397.15100	3.2
403.13846	7.0
421.14825	4.1
427.39102	0.6
429.11771	1.1
439.16010	2.0
447.12939	9.1
465.13971	17.5
483.15002	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34056	0.9
55.01846	1.1
56.96569	11.1
59.72270	1.1
64.03621	0.9
65.03934	1.8
66.79578	0.9
69.03424	5.1
70.23734	1.9
70.24134	2.3
70.98112	1.1
73.02901	1.8
73.72706	0.9
77.00911	1.5
81.03380	1.9
82.06558	2.4
82.99873	3.0
84.96035	2.5
85.02907	6.8
91.05473	7.4
94.99833	1.8
96.70793	1.0
97.02889	4.1
98.97585	23.2
100.07611	4.5
100.99141	1.3
101.00873	18.5
106.65633	0.9
109.02837	1.4
110.01296	1.1
110.97571	4.4
112.99125	1.9
113.00861	5.1
115.02441	3.9
116.98627	10.0
119.01926	28.2
119.04945	13.3
121.01524	1.2
124.99120	1.4
127.00782	1.0
127.02400	3.6
127.03896	5.1
128.98611	4.8
131.00174	2.9
131.01907	16.6
133.03450	4.8
134.99629	1.8
137.00917	1.3
137.02946	2.0
139.02420	3.5
139.03896	4.3
140.98567	1.3
143.00140	4.3
143.01894	28.5
143.03598	1.2
143.99142	1.1
144.98048	1.3
145.03488	16.7
145.04843	1.9
146.03465	1.4
146.08128	4.1
146.99661	2.8
147.04402	49.3
148.04742	3.1
149.01169	2.5
149.02982	2.5
155.01895	29.8
156.02725	1.5
157.01665	1.4
157.03470	15.3
158.99603	7.8
159.01447	1.6
159.05074	1.8
161.01245	3.6
161.02954	25.2
162.03055	1.2
162.99028	1.9
163.03824	7.8
165.00803	1.9
167.01909	13.5
169.03442	6.3
170.99651	3.4
171.01385	1.3
171.05009	3.9
172.53009	1.3
172.97690	1.1
173.01451	1.9
173.02968	38.4
174.97588	1.2
174.99086	3.5
175.04579	5.4
177.00713	5.0
177.02394	2.8
179.01932	4.9
179.50372	1.2
181.03529	2.1
182.99850	1.8
183.01491	5.0
183.05020	2.5
184.04468	1.5
185.02953	51.2
187.02879	2.0
187.04517	10.0
189.00719	4.3
190.98582	1.4
191.02159	1.1
191.04013	2.3
193.00241	1.6
193.03560	2.1
196.04536	1.4
197.00459	1.0
197.01126	1.5
197.02948	15.4
199.04572	4.8
201.00742	4.5
201.02440	58.2
201.05888	2.4
202.04065	2.1
203.04007	14.6
203.65564	1.1
205.00150	3.6
207.00000	1.2
207.01723	4.7
209.03023	4.2
211.04553	2.0
213.00684	1.8
213.02406	9.7
213.05815	1.0
215.00569	1.5
215.04024	9.7
217.05568	3.9
219.01801	7.1
219.03528	84.2
219.98354	1.2
221.05087	3.8
223.01288	1.2
224.04044	1.4
225.02510	1.8
227.04016	14.9
228.98663	1.4
229.02055	1.6
229.05493	1.8
231.01787	1.3
231.03548	9.6
233.05141	1.3
235.06580	8.0
237.02625	7.4
237.04764	1.8
239.04077	2.3
242.04999	2.5
243.03604	3.6
245.05080	100.0
246.05463	1.5
249.04736	7.1
253.07706	8.7
254.01987	1.2
255.03464	4.6
257.05081	5.9
261.04776	15.1
263.06097	10.7
267.03922	1.6
267.09091	1.4
269.05405	1.7
273.02646	1.9
275.06116	11.3
277.02133	1.0
277.07751	17.0
279.05615	4.3
281.01794	1.7
281.07336	1.2
281.57196	2.4
282.07257	1.7
283.06815	2.6
283.57187	1.2
285.04462	3.1
286.07666	1.6
289.04126	2.9
290.02802	1.2
291.03687	1.7
293.07162	4.1
295.08850	14.9
297.02863	1.3
299.03448	2.4
303.05640	31.6
303.08981	1.2
303.13251	1.7
305.07260	10.0
306.98077	2.1
307.08765	4.4
309.04880	1.2
311.03476	1.8
318.10410	1.4
321.06772	45.3
321.10291	2.4
321.14386	1.7
330.98447	1.9
331.05289	4.8
331.08557	1.1
333.06711	2.4
335.08316	6.3
339.07578	1.5
347.08017	1.7
348.99445	2.5
349.06122	8.0
351.06610	1.1
358.99133	1.4
360.99585	1.4
362.09464	1.5
363.07742	9.2
363.59683	1.4
364.09393	1.6
365.09320	15.3
381.08661	8.1
391.01575	1.2
391.06949	2.3
393.08670	4.3
409.08347	2.8
423.09668	5.0
441.10324	1.5
451.02164	1.4
483.11792	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	483.1136
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
57.03440	2.0
58.76441	1.9
61.02921	3.3
65.03940	2.8
67.05505	2.8
68.17624	2.2
68.36994	2.1
68.99809	2.9
69.03422	7.1
69.69353	1.9
71.52974	3.3
76.49139	2.2
78.79121	2.3
79.01759	2.5
81.03419	2.8
84.04489	10.0
85.02913	14.2
91.05481	5.8
94.06590	3.9
96.08174	2.4
97.02890	11.5
101.84517	2.0
109.02877	4.5
110.06008	2.2
111.00797	2.4
111.04448	6.7
114.82237	2.2
117.03365	2.6
118.06566	11.9
119.04941	2.8
120.08096	7.2
121.02864	8.4
122.06005	3.0
123.04430	3.5
126.05518	11.2
127.03934	6.4
132.08133	3.5
138.05536	6.2
138.09148	18.1
139.03915	47.5
144.08098	7.4
145.02917	2.5
146.06017	35.8
147.04417	10.3
148.07700	2.3
149.02362	53.0
150.03154	7.6
151.03934	2.9
153.01840	81.8
156.06544	17.7
159.09183	5.2
163.03902	8.5
166.08659	28.6
167.03400	13.2
173.26868	2.1
175.08682	2.8
177.01830	2.7
177.05505	3.9
188.07082	58.7
188.94124	2.2
195.02917	21.9
196.09909	3.6
198.85422	2.2
201.05447	6.2
202.96414	4.0
205.09746	27.4
206.08447	11.6
211.12364	6.4
216.10350	2.3
219.02945	11.4
221.10820	2.5
223.08722	2.7
224.09366	3.4
229.04950	18.6
234.11224	2.8
238.11174	3.9
239.11815	17.3
240.04442	2.7
241.09697	3.6
247.06027	28.6
247.08174	3.2
257.04449	6.2
257.12991	3.6
258.11353	2.6
261.03943	4.7
262.10733	4.5
262.98529	2.5
263.10287	3.3
267.11240	34.5
271.10812	4.3
272.11557	7.1
275.05542	40.8
276.12344	10.3
280.12903	6.0
285.12357	30.5
290.12640	4.3
303.05057	29.9
303.13373	40.8
304.11798	7.1
307.95581	2.2
321.06122	69.8
321.14444	100.0
339.11224	2.8
367.03357	2.7
483.20071	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	483.0003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	3.5
62.80332	0.3
66.51104	0.4
69.23456	2.9
71.95228	0.6
86.01904	0.4
98.21544	0.6
98.97585	25.8
99.97927	0.5
109.56689	0.3
111.01727	0.4
113.68742	0.3
116.98625	13.2
132.96588	0.6
134.99678	4.8
144.38145	0.4
145.64644	0.4
156.96611	1.1
172.94315	0.8
174.97650	5.9
190.46750	0.4
190.95502	1.3
192.98709	3.6
196.94676	1.0
198.97731	0.7
206.73448	0.4
208.96620	0.7
214.95601	9.1
216.98720	5.6
232.96664	15.9
233.96829	0.7
234.99796	6.4
238.95711	1.5
239.96147	0.3
240.98749	1.7
250.97771	8.7
256.96689	39.2
257.96780	1.4
258.97076	0.6
258.99863	12.0
259.99985	1.3
260.99680	1.1
261.03094	1.0
264.99188	0.5
267.99350	0.4
274.97705	75.4
275.97964	2.8
276.97955	0.9
277.00870	11.9
278.01068	1.1
279.00882	0.4
280.96533	3.3
282.97058	0.6
282.99988	9.1
284.00125	0.9
284.99744	0.7
289.96484	1.0
290.95737	1.0
291.26462	0.4
292.98694	13.3
293.98914	0.6
297.99350	1.0
298.97751	85.2
299.97955	2.7
300.97812	0.8
301.01028	9.2
302.01227	1.0
303.00821	0.6
307.97708	0.4
314.95618	1.3
316.00220	0.4
316.98816	100.0
317.98962	3.5
318.99014	1.0
320.89053	0.4
332.96820	1.8
334.99808	2.3
338.95819	0.4
340.00488	3.4
340.98746	2.6
356.96686	1.0
358.99918	5.6
371.28699	0.3
374.97934	3.1
380.96719	1.0
382.99811	0.9
398.97806	6.7
399.97717	0.6
401.01117	3.0
402.01141	1.2
403.00729	0.5
416.98969	14.2
417.98898	1.0
422.97794	6.4
425.01236	1.2
432.96875	0.5
434.99850	0.4
440.00574	0.6
440.98938	89.4
441.99097	4.4
443.02914	0.7
456.96686	1.1
458.99991	77.9
460.00027	3.8
461.00061	0.8
474.60434	0.5
477.00937	0.4
482.01532	6.0
483.00204	3.7
484.00278	0.5
501.00797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93703	0.6
55.01872	0.7
55.05519	3.7
57.03447	3.8
59.05000	0.7
61.02911	1.2
67.05167	0.9
67.05510	8.5
69.03416	1.7
69.07071	6.1
71.04982	1.7
71.54066	0.9
79.05507	4.8
81.07066	31.5
83.04976	2.5
83.08607	2.7
85.02912	5.1
85.06552	1.5
91.05485	8.0
91.99520	0.6
93.07053	5.3
95.04949	0.9
95.08624	6.6
97.02892	1.5
97.06544	1.9
99.08094	1.7
101.06058	0.9
103.61649	0.6
105.07050	15.3
107.04921	0.6
107.08604	5.4
109.06529	1.9
109.10220	0.7
119.08597	12.0
121.10148	8.9
123.08088	1.4
123.11727	13.2
127.07535	1.4
131.08621	0.7
133.10165	1.5
137.13243	1.2
145.04924	0.6
147.11710	35.1
149.09587	0.6
157.10126	1.5
165.12772	14.4
169.71481	0.5
175.11226	2.1
183.13766	2.8
211.13261	0.8
224.75754	0.6
229.14386	6.2
267.13062	0.7
267.15945	27.0
285.16998	100.0
286.17233	1.2
315.83035	0.7
399.38080	0.7
482.05453	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94761	0.8
55.05515	2.7
57.03439	2.9
61.02930	1.2
67.05225	0.8
67.05517	8.1
69.03445	0.9
69.07077	5.0
69.39832	6.1
71.04997	1.5
79.05506	5.2
81.07067	27.2
83.05005	1.9
83.08620	3.4
85.02898	2.4
85.06560	1.6
91.05496	8.5
93.07035	3.7
95.04995	1.6
95.08620	5.4
96.49928	0.8
97.02932	0.8
97.06549	3.5
99.08084	1.9
101.06030	0.7
102.20114	0.7
105.07048	12.9
107.08614	4.3
109.06515	3.6
111.08064	0.9
118.02312	0.8
119.08589	9.0
121.10150	8.3
123.08086	1.8
123.11734	13.1
127.07582	1.9
133.10127	1.3
137.13260	1.2
147.11708	31.5
157.10175	1.3
165.12779	16.8
175.11206	1.6
183.13835	2.6
193.12274	1.3
229.14355	6.1
251.50070	0.8
267.15948	39.0
285.16998	100.0
333.63599	0.8
447.22308	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63316	1.4
53.03938	3.7
55.01862	6.0
55.05515	8.0
56.58118	1.4
57.03428	6.1
57.07083	12.5
59.04996	3.9
61.02912	3.5
64.30431	1.6
64.54540	1.4
67.05500	8.4
68.05844	2.7
68.99767	2.0
69.03149	1.5
69.03434	20.4
69.07071	56.6
71.04984	6.3
71.08637	8.2
71.53594	2.4
73.02896	4.9
73.06544	10.6
79.05492	3.7
81.03422	20.8
81.07059	8.6
82.07388	1.9
83.04995	2.7
83.08611	3.6
85.02907	51.2
85.10168	4.7
87.00828	20.5
89.06033	25.0
91.05482	4.1
92.05795	1.7
93.07070	3.2
95.08603	5.4
97.02893	29.7
97.06520	1.9
99.04449	8.5
105.01877	35.5
105.07034	4.8
106.07327	2.4
107.08588	3.9
108.08961	2.1
109.02881	14.9
109.10166	6.1
110.10502	2.7
111.11721	79.7
117.01841	2.6
119.08570	2.0
121.10118	2.0
123.11669	1.8
127.03924	43.2
129.01776	2.5
129.12758	100.0
133.10124	6.9
134.10478	3.0
143.68858	1.4
145.04964	19.0
147.02943	2.0
151.11172	3.4
153.05486	2.3
159.02895	7.9
193.12242	1.9
199.16916	17.3
211.13301	2.4
212.13716	1.7
217.17990	19.8
231.04956	14.6
249.06175	3.5
253.14453	3.8
254.14711	5.8
264.19620	1.6
353.51346	1.8
359.17017	2.3
464.27335	1.9
482.28351	10.9
486.09296	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01852	1.6
55.05498	3.4
57.03238	0.8
57.03442	8.5
57.07058	3.8
59.04983	3.8
61.02922	2.6
67.05492	2.4
69.03434	40.6
69.07072	11.1
69.23354	0.9
69.35661	6.9
71.04996	13.1
73.02905	1.7
73.06557	2.2
79.05502	5.0
81.03409	3.1
81.06662	1.1
81.07066	14.8
83.04990	1.1
83.08595	4.1
85.02910	31.9
87.04472	27.8
87.07844	1.0
91.05473	4.6
93.07046	15.6
95.04945	1.9
95.08617	6.7
97.02897	34.8
97.06519	2.7
99.04433	1.6
103.03951	1.9
105.07045	6.2
107.08598	14.3
109.02901	1.4
109.06496	3.5
109.10155	5.0
111.08037	1.2
115.03931	45.3
117.07012	1.4
119.08611	5.6
121.06456	2.3
121.10109	2.0
123.08019	1.7
123.11683	1.6
125.13280	6.0
127.03920	4.3
131.08563	3.1
133.04974	42.5
133.10112	1.7
135.11705	20.6
137.13223	2.0
139.11159	1.6
145.04941	5.2
145.10124	1.6
147.08054	2.3
147.11650	2.2
153.12752	100.0
155.14339	1.0
159.08090	1.0
163.05972	1.8
164.90848	0.9
165.12784	4.2
169.05040	1.2
173.09636	1.8
177.12749	4.0
189.12747	1.3
191.10591	1.1
195.13814	4.1
219.13876	1.3
231.13808	2.6
237.14844	1.1
241.06958	1.1
249.14867	3.1
259.08105	4.8
261.14883	2.3
267.15927	4.5
277.09158	1.4
285.16962	9.7
295.10172	5.9
297.16895	5.1
315.18030	10.9
320.04575	1.0
333.19101	3.1
349.22882	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.05499	3.8
56.65363	1.0
57.03429	4.6
59.04998	2.7
61.02917	1.6
67.05503	5.4
69.03428	19.1
69.07066	2.3
70.66023	2.0
70.66374	2.4
71.05003	9.9
73.06552	2.9
79.05490	6.7
81.03426	17.6
81.07056	20.5
83.04974	3.9
83.08629	6.0
84.08115	1.5
84.79326	1.1
85.02909	19.0
87.04469	11.1
91.05494	5.7
93.07047	14.3
94.32178	1.1
95.04961	3.7
95.08607	4.2
97.02312	1.3
97.02895	19.2
97.06526	1.8
105.07017	5.5
107.04926	1.7
107.08620	8.6
109.06497	1.5
109.10146	3.8
111.02454	1.2
111.08088	3.2
115.03942	24.5
119.08581	3.9
121.10117	1.8
123.11692	1.6
127.03872	1.5
129.06989	2.2
131.08598	1.8
133.04034	1.5
133.04990	22.9
133.10068	1.8
135.11716	17.1
137.05957	3.1
137.09660	1.9
145.04944	4.8
147.11647	2.9
153.12755	100.0
157.10115	4.3
163.06012	1.6
165.09142	1.5
171.13789	2.3
175.11188	3.4
193.12257	12.8
199.63574	1.3
204.58661	1.2
211.09740	1.3
211.13292	12.8
214.91568	1.1
241.07269	1.5
259.08258	3.9
267.15848	7.0
285.16986	38.8
295.10178	3.8
297.13248	2.1
304.08066	1.7
318.06839	2.1
319.07138	2.0
320.07364	2.5
416.14694	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0978
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
51.96104	0.3
52.44471	0.4
53.03938	0.4
55.01862	0.5
57.03416	0.7
61.02653	0.5
61.02929	6.8
68.99780	1.2
69.03407	1.0
69.71478	2.1
73.02924	2.4
81.03413	0.5
85.02900	7.0
87.54418	0.4
91.03962	4.0
97.02913	3.3
109.02887	1.6
111.00789	2.0
127.03926	1.2
133.47917	0.4
137.02333	2.5
153.01843	9.9
153.02992	0.3
165.01854	3.6
166.02672	0.5
179.03426	2.2
183.02936	0.7
189.05486	1.1
195.02930	0.5
199.03830	0.5
207.02931	0.5
217.04965	3.6
227.03288	0.6
245.04448	5.2
255.02907	0.4
263.05664	0.4
272.03220	0.5
273.03903	5.1
277.20746	0.6
290.04236	1.4
299.05765	0.4
301.03433	1.1
319.04486	100.0
320.04828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2798
Annotation	Glucosilsteviol
Peak:m/z	Relative Intensity
53.03942	3.9
55.01874	3.4
55.05517	13.6
55.18411	3.6
57.03429	4.8
57.07072	7.1
63.65612	3.0
66.69386	3.0
67.05505	26.7
69.03414	12.1
69.07068	13.9
70.58107	5.8
70.58447	5.7
70.67930	2.7
71.04984	3.4
76.98014	2.5
79.05502	25.6
81.03413	7.9
81.07057	61.0
83.04980	6.1
83.08595	9.2
85.02905	18.0
85.06538	5.5
91.05486	26.2
93.07047	49.4
95.04974	10.6
95.08622	54.9
97.02891	3.7
97.06535	10.4
97.10160	2.9
99.04442	4.8
99.08078	3.5
104.32621	2.8
105.07037	53.3
107.04965	6.5
107.08601	50.0
109.06499	11.2
109.10171	31.5
111.08060	8.2
115.05534	3.5
117.07055	13.7
119.08585	43.7
121.06498	30.9
121.10151	22.8
123.04442	3.5
123.08078	27.8
123.11712	18.7
127.03879	4.8
128.06197	3.7
129.07018	8.0
131.08594	26.1
133.06480	2.7
133.10132	27.2
135.08044	17.4
135.08878	2.8
135.11674	16.5
137.09608	11.4
137.13222	6.4
141.06985	3.9
142.07797	4.7
143.08568	24.9
144.09418	3.3
145.10135	27.6
147.08018	11.4
147.11693	28.4
149.09628	17.3
149.13251	9.8
151.11195	8.7
153.09103	3.1
155.08569	5.4
156.09317	4.0
157.10159	25.3
159.08081	4.6
159.11708	25.9
161.09628	11.5
161.13264	6.1
163.11172	6.6
165.09103	17.3
165.12761	9.9
169.10155	9.4
171.08035	3.4
171.11768	15.4
171.13065	3.0
173.09610	6.9
173.11870	3.3
173.13222	14.8
175.11179	11.0
177.12740	3.6
183.11713	10.4
185.09621	3.6
185.13280	17.9
187.11136	11.0
187.14798	15.2
189.12836	6.4
191.10660	3.6
193.12262	5.9
197.13292	6.0
199.11104	4.7
199.14893	14.4
201.16393	11.5
203.14349	6.8
209.13200	5.0
211.14899	4.3
213.12714	6.0
213.16412	6.6
215.14284	5.3
225.16423	7.0
227.14308	10.8
229.16017	2.9
241.15869	3.2
241.19501	11.2
242.05380	6.5
243.17490	11.2
245.15436	6.0
253.19492	7.0
255.02844	2.9
255.21040	9.8
261.18610	12.1
265.19482	10.4
271.06003	4.5
271.20578	24.1
273.22217	2.7
283.20538	31.4
289.21674	3.9
301.21625	44.7
304.20337	2.9
319.22690	100.0
415.50952	3.5
463.29422	3.3
481.14114	19.5
481.20407	3.9
481.29608	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	479.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91225	1.3
53.03931	4.6
54.09620	1.3
55.01859	3.5
55.05512	17.5
57.03442	12.7
57.07061	2.0
57.74077	1.4
64.48199	1.4
65.03933	2.4
67.05508	58.7
69.03413	4.2
69.07066	19.2
69.91538	4.1
71.04979	4.8
79.05495	45.7
79.05882	0.9
80.40052	1.2
81.03420	39.2
81.07056	73.5
83.04988	13.5
83.08622	22.5
85.02918	19.2
85.06540	4.5
91.05485	39.7
93.07046	50.1
95.04967	28.6
95.08613	21.3
97.06539	10.5
97.10154	2.7
98.87006	1.3
99.08076	2.5
105.07026	24.1
107.04958	6.0
107.08597	26.8
109.06527	4.9
109.10155	4.5
111.08085	12.4
113.06004	1.6
115.05510	1.5
117.07020	5.2
117.15262	1.4
119.08588	15.4
121.06511	3.7
121.10142	18.5
123.08092	2.3
123.11678	2.7
125.09653	2.6
129.07047	9.0
131.08592	14.5
133.06535	2.6
133.10114	12.2
135.11682	5.7
137.09534	1.5
142.07776	1.9
142.56812	1.3
145.10091	3.5
147.08058	3.3
147.11699	11.4
149.09605	5.8
149.13245	22.5
157.10120	7.6
159.11702	9.3
165.12823	2.8
175.11195	11.6
177.12729	4.2
193.12254	40.5
195.13835	9.3
211.13295	53.5
219.14108	1.4
249.14752	2.1
251.69756	1.5
267.15894	9.9
269.17426	12.2
343.22833	1.7
369.24127	2.6
387.25256	6.4
417.26175	1.8
443.28226	2.0
461.28961	18.9
479.30045	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3735
Annotation	Clathriol
Peak:m/z	Relative Intensity
53.15230	7.0
55.05507	14.8
57.07068	17.2
61.85633	6.4
64.36002	5.8
65.27533	6.4
65.61038	6.6
67.05504	13.0
69.07059	22.8
71.08628	15.6
71.26920	9.2
81.07045	22.1
83.08610	16.3
85.10188	16.5
88.27720	6.3
91.05474	11.6
91.26185	6.5
93.07047	19.0
95.08577	19.9
97.10172	11.4
105.07021	21.4
107.04956	14.2
107.08578	21.2
109.10145	16.4
111.11707	6.8
119.08585	15.4
121.10141	13.4
123.11710	8.9
125.40908	6.5
125.55283	7.0
128.19794	7.1
131.08560	15.2
133.10100	13.8
143.08661	10.2
145.10095	9.8
147.08093	6.6
147.11639	9.6
157.10117	10.7
159.11649	12.5
161.13232	13.6
177.16380	9.4
189.09111	14.4
233.76425	7.0
343.30081	8.8
345.33020	6.8
378.59729	6.9
401.34183	12.3
425.34406	33.3
443.35242	100.0
461.36133	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	479.1187
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
61.35325	0.2
67.81357	0.2
69.03395	0.6
70.09130	0.3
70.09519	0.4
81.03398	0.2
85.02869	0.8
97.02898	0.3
98.20811	0.2
119.30647	0.2
151.63757	0.2
153.01811	0.7
166.72304	0.2
179.23369	0.2
217.05026	0.2
273.03943	0.2
274.04724	18.1
275.04959	0.3
301.07147	0.5
302.04221	40.1
303.04587	0.7
303.07819	0.5
315.04965	0.3
317.06561	100.0
318.06970	0.9
435.61185	0.2
443.98004	0.2
479.11859	33.7
480.12122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1187
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
70.77363	0.6
72.20882	0.2
76.72386	0.2
76.73465	0.2
81.03460	0.2
81.25083	0.2
85.02921	0.6
85.78013	0.2
90.44613	0.2
138.19165	0.2
153.01918	0.5
153.09549	0.2
155.91730	0.2
159.00166	0.2
273.03888	0.3
274.04721	15.5
275.05090	0.4
301.03491	0.6
301.06802	0.3
302.04221	31.5
303.04935	1.7
303.08002	0.3
317.06561	100.0
318.06995	0.9
479.11905	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
52.37186	0.2
53.03936	0.3
53.15195	0.2
55.01866	0.2
57.03436	0.8
61.02929	6.0
61.94907	0.1
65.03923	0.3
68.99786	0.3
69.03133	0.2
69.03436	1.7
70.85766	0.3
71.05000	0.2
73.02924	1.5
76.04079	0.2
81.03415	0.5
85.02908	7.1
86.01392	0.2
91.03960	3.0
92.02627	1.2
93.03403	1.0
95.01380	0.2
95.08601	0.2
97.02901	3.4
99.04443	0.3
102.24905	0.2
107.04944	1.1
109.02869	0.5
111.00776	0.2
115.03919	0.3
121.02876	1.3
126.03135	0.4
127.03886	1.1
137.05928	0.2
139.03885	0.9
145.04927	0.9
151.03932	1.2
153.01830	8.6
165.01828	0.9
173.06123	0.2
177.05493	0.3
200.04744	0.3
201.05518	0.9
203.03419	0.6
217.05058	0.8
218.05783	0.7
219.02914	0.4
228.04170	1.7
229.04939	3.8
231.02885	0.5
243.06546	0.2
245.04489	1.1
246.05251	2.0
246.14981	0.2
256.03671	0.3
257.04471	2.7
259.05960	0.2
260.03305	0.3
261.07544	0.4
271.06027	0.2
273.03943	1.7
274.04733	4.6
284.03140	0.5
285.03955	4.6
287.05524	1.3
288.05893	1.4
289.06058	2.1
301.03238	0.2
302.04224	12.6
303.04932	1.6
317.06558	100.0
318.06961	1.2
329.06522	0.3
383.07645	0.2
478.33362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03952	1.2
55.01883	0.7
55.05517	9.8
56.95855	0.7
57.03453	4.6
57.07075	2.2
62.06096	31.6
67.05512	30.3
69.03432	1.2
69.07075	13.2
70.58264	0.9
71.53072	1.0
71.53459	0.9
79.05503	8.8
80.10381	0.9
81.07062	30.1
82.86990	0.8
83.08620	7.3
86.06055	1.0
86.81757	0.8
91.05514	4.8
93.07045	9.5
95.04968	1.2
95.08611	20.4
97.06511	1.4
97.10188	3.1
98.06063	4.4
98.98488	7.5
105.07052	4.0
107.04984	1.0
107.08591	5.8
109.10149	8.6
111.08082	1.2
117.07034	0.9
119.08588	3.0
121.10145	5.1
123.11716	3.0
124.01661	1.0
125.09641	1.1
133.10141	2.6
135.11694	2.1
137.13242	1.0
142.02669	1.5
145.10231	1.0
147.11702	3.0
149.13264	1.1
155.01064	3.9
161.13329	1.5
173.02107	1.7
198.05246	1.7
216.06317	3.8
245.22714	2.3
248.42110	1.0
263.23676	6.9
287.04962	1.0
287.21881	0.9
301.07053	1.1
302.07401	4.3
306.27927	45.8
319.26163	1.4
337.27393	100.0
338.27744	1.8
358.50085	0.9
359.76941	0.9
368.22995	1.1
386.24234	1.6
417.24066	1.6
460.28174	8.3
478.29068	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0826
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
57.97236	0.1
67.01862	0.6
67.05523	0.1
68.99801	0.3
70.53956	0.1
71.04988	0.1
71.53699	0.1
72.03761	0.1
74.74648	0.1
85.02908	0.2
91.05467	0.1
97.06503	0.2
105.03399	0.2
111.00748	0.1
111.08002	0.1
120.25726	0.1
121.10030	0.1
122.09538	0.1
123.04415	0.2
127.03907	0.1
129.01787	0.1
130.06535	0.1
133.02835	0.4
137.02376	0.2
139.03802	0.1
151.03911	1.6
153.01833	5.3
157.07579	0.1
158.06010	0.1
171.02890	0.2
173.02374	0.1
177.01842	0.4
195.02895	0.3
201.05428	0.2
203.03357	0.7
203.08160	0.3
205.04895	0.1
229.05040	0.8
257.04443	1.4
261.03964	0.2
281.13211	0.1
285.03979	0.7
299.14105	0.2
303.04999	100.0
304.05338	1.0
311.16000	0.1
348.20966	0.1
379.16144	0.1
453.81735	0.1
479.08231	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	478.293
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
53.03949	0.4
55.01862	0.3
55.05275	0.4
55.05516	4.1
57.07062	0.7
58.06606	0.5
62.06080	0.8
67.05186	0.5
67.05515	6.1
69.03413	0.4
69.07073	5.1
69.95669	1.3
79.05507	2.0
79.05904	0.4
81.07066	5.4
83.08621	1.8
85.05294	1.1
86.06055	0.5
91.05470	0.9
93.07043	1.5
95.04937	0.4
95.08614	4.0
97.06552	0.5
97.10175	1.0
98.06063	8.5
98.98489	0.6
105.07034	0.8
105.28370	0.3
107.08588	1.0
109.10136	1.3
110.09643	0.4
112.07625	1.0
116.70653	0.4
119.08614	0.5
121.10143	0.5
123.11726	0.5
126.09163	0.5
133.10129	0.5
139.89781	0.3
140.10704	0.4
154.12228	0.7
168.13947	0.6
176.52348	0.3
182.15482	0.5
196.17058	0.5
208.16963	0.9
222.18651	0.4
227.12709	0.4
236.20093	0.6
250.21651	0.4
253.00467	0.3
286.44067	0.4
287.05142	0.5
301.07108	1.1
302.07410	2.1
306.27930	100.0
307.28210	1.1
324.28979	0.5
386.24005	0.5
423.95761	0.4
478.28888	0.6
478.35651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03936	0.6
55.01871	0.7
55.05517	9.8
55.26360	0.3
57.03200	0.5
57.03445	5.8
57.07085	1.9
65.03946	0.7
67.05511	21.6
69.07072	13.1
70.56699	0.7
71.04984	0.9
71.08644	0.4
79.05501	6.6
81.07060	23.3
83.04978	0.8
83.08624	6.5
83.52623	0.3
85.10196	0.4
91.05492	4.8
93.07053	5.7
95.04997	0.5
95.08615	17.8
96.89858	0.3
97.06538	1.1
97.10175	3.2
99.08131	0.8
105.07049	2.9
107.08611	3.4
109.06558	0.4
109.10164	6.7
111.08095	0.8
111.11697	0.3
119.08607	1.9
121.10159	2.5
123.11724	2.1
124.01588	0.4
125.09657	0.4
131.08624	0.4
133.10146	2.6
135.11729	1.8
137.13249	1.0
147.11705	1.8
149.13246	1.0
153.12779	0.4
161.13310	0.9
161.81596	0.3
162.84030	0.4
163.14848	0.8
175.14851	0.7
198.05386	0.5
216.06281	0.7
245.22816	0.5
263.23746	1.2
287.04977	0.4
302.07394	1.1
306.27972	2.5
337.27386	100.0
338.27710	1.5
356.12729	0.3
460.27847	0.4
461.75848	0.3
478.29218	0.5
479.30325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13224	0.7
55.01855	0.6
67.04249	4.8
69.03420	1.7
69.70221	3.0
69.70634	1.4
70.06570	0.8
74.00658	2.1
82.28635	0.7
84.04478	0.8
85.02898	2.8
86.00633	0.8
97.02905	2.0
100.02206	100.0
102.05548	1.0
105.07032	6.7
114.05521	2.0
122.09665	3.0
130.05060	1.6
133.05022	0.7
139.03886	2.0
146.06085	0.9
147.04437	2.6
148.04782	1.1
157.04330	3.0
158.02718	3.8
168.04886	0.8
175.05385	3.2
185.03831	1.2
188.07089	1.9
200.32367	0.8
203.04857	69.7
213.06955	9.3
214.97276	0.8
259.52097	0.8
316.09595	15.3
318.07086	0.9
375.12253	2.5
478.14990	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05527	1.8
53.37755	1.8
55.01861	1.9
55.05515	17.3
57.07086	9.5
67.05186	2.0
67.05514	31.0
68.77006	1.8
69.03433	2.6
69.07072	46.4
69.20666	15.5
71.04985	7.2
71.08631	3.0
79.05501	12.3
81.07063	63.7
83.04985	3.3
83.08620	22.1
85.06546	34.9
91.05481	13.7
92.77270	1.9
93.07053	30.7
95.08611	100.0
97.06532	10.0
97.10172	10.4
98.20798	3.8
99.08096	3.5
100.40667	1.7
104.29596	1.6
105.07037	20.5
107.08598	44.1
109.06522	2.7
109.10162	88.7
110.00579	1.7
110.70264	1.6
111.08080	27.4
111.11713	15.8
113.09666	1.9
119.08572	19.6
121.10149	41.1
123.08038	2.5
123.11708	48.7
123.62114	1.6
125.09629	15.2
125.13305	2.6
125.95455	1.8
127.11167	2.4
129.09167	2.8
131.08537	4.4
133.10139	21.0
135.11697	23.6
137.09625	4.5
137.13258	22.6
139.07545	7.3
139.11197	3.5
140.37749	1.6
143.07001	8.7
145.10153	5.0
147.11693	20.8
149.13272	27.4
151.11183	5.6
151.14832	6.3
153.09195	2.2
153.12775	3.1
155.10637	4.5
157.08626	20.8
157.09903	3.6
159.11679	5.0
161.13277	10.4
163.14818	25.7
165.12744	9.5
165.16406	4.3
171.10202	8.8
173.13264	3.8
175.14835	9.4
177.16386	11.8
179.14302	3.3
179.17877	2.8
183.13776	1.9
187.14818	3.8
189.16409	10.7
191.17950	6.9
193.12164	2.0
193.15889	5.2
197.11662	2.0
201.16411	2.0
203.17966	6.3
205.19545	26.1
207.17453	10.9
209.15569	2.0
211.16861	2.2
217.19492	4.5
219.21088	21.1
225.14908	5.0
225.18527	3.1
231.21176	5.7
233.22659	8.7
235.16956	3.7
239.16481	2.3
243.15935	2.3
245.22639	2.7
249.18484	3.9
249.22069	2.7
253.17970	11.7
258.05139	3.2
263.20135	2.9
267.19467	2.4
271.19107	3.6
277.21634	6.3
281.21115	3.4
283.20786	2.3
286.04761	7.9
295.22653	13.4
301.07053	25.5
313.23758	5.7
331.29932	4.8
335.25653	3.4
342.37149	2.1
345.84631	2.0
349.27499	3.1
371.33063	4.8
385.23706	3.1
389.34326	18.0
413.37827	4.7
438.58221	2.0
441.37488	4.5
459.27924	3.7
459.38385	38.6
477.39514	41.2
485.05603	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.0
54.50300	2.5
55.01878	13.3
55.05272	3.1
55.05519	50.8
57.03450	13.2
59.04997	2.5
66.06992	2.3
66.55210	2.2
67.05180	4.1
67.05514	53.9
69.03436	6.8
69.07083	14.3
70.70844	5.9
71.05006	5.0
79.05068	4.0
79.05504	57.1
81.03430	66.8
81.07072	40.9
83.04996	15.3
83.08636	31.8
85.02902	6.8
85.06542	3.0
91.04975	3.9
91.05493	49.1
93.07052	33.5
95.04984	30.9
95.08626	20.0
97.06523	5.7
97.10188	37.5
105.07050	36.4
107.04990	26.2
107.08608	29.9
109.06510	9.8
109.10146	9.1
111.04477	2.8
111.08096	9.2
113.06039	2.6
115.05424	4.0
117.07056	13.9
119.04913	3.6
119.08611	21.6
121.06532	20.7
121.10126	11.6
123.04456	3.0
123.08064	8.5
123.11672	2.6
125.09654	29.6
128.06285	2.7
129.07019	22.3
131.04939	5.3
131.08595	21.8
133.06506	10.3
133.10164	13.1
135.08087	12.6
135.11688	6.0
137.09615	2.8
141.06982	5.6
142.07819	4.1
143.08583	6.6
145.06526	15.7
145.10159	10.8
147.08087	9.7
147.11681	16.7
149.09622	9.9
149.13344	2.5
153.09102	6.0
155.08568	6.3
157.06506	3.5
157.10152	18.0
159.08058	5.7
159.11719	4.5
163.11180	6.8
165.12805	2.7
169.10184	4.7
171.08080	6.4
171.10178	5.0
171.11684	6.2
173.09709	4.3
175.11214	15.9
181.10077	4.4
183.11717	2.7
185.09564	3.7
187.11191	3.6
189.11237	12.5
189.12749	5.0
193.12265	40.7
193.13914	4.1
195.11754	2.9
199.11250	6.6
204.64355	2.6
211.11444	3.7
211.13252	17.7
213.12793	3.1
215.14388	5.8
227.12619	15.2
231.13863	3.0
233.15433	15.8
233.66652	2.6
241.14333	5.7
245.15521	4.0
249.14896	4.6
255.13879	4.5
257.15012	2.7
267.15979	39.8
270.64529	2.4
271.17059	3.4
271.42316	2.6
273.14920	13.8
287.16284	3.8
298.58786	2.3
301.07422	2.7
339.23254	10.5
341.21469	3.1
349.21634	13.8
357.24292	9.1
367.22723	45.3
375.25269	2.8
385.23813	67.7
385.28516	5.2
385.54614	2.4
403.24716	19.8
415.24725	2.7
433.25937	13.2
441.26364	8.1
459.27521	100.0
477.28510	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59717	2.4
53.43566	2.6
53.64117	2.6
55.01862	9.4
55.05515	54.4
56.00762	2.4
57.03455	14.7
65.03938	4.9
67.05510	44.6
69.03416	7.4
69.07063	9.6
70.26915	2.4
71.04999	6.1
72.25760	2.4
79.05078	3.4
79.05501	54.4
81.03419	46.5
81.07059	39.4
83.04984	7.5
83.08616	30.5
85.06505	2.5
91.04969	3.9
91.05486	41.2
93.07058	28.3
95.04974	29.4
95.08608	25.9
97.06531	4.9
97.10173	33.3
98.21610	6.6
105.07036	24.6
107.04974	23.6
107.08595	26.7
109.06483	6.4
109.10139	11.9
111.08128	5.3
115.05457	3.8
117.06969	13.3
119.08585	21.9
121.06519	30.6
121.10188	6.9
122.90896	2.4
123.08074	9.1
125.09629	25.2
128.06236	3.2
129.07007	17.2
131.05017	3.3
131.08565	20.8
133.06474	9.7
133.10130	12.2
135.04529	2.6
135.08044	10.3
141.07040	2.7
142.07843	3.5
143.08546	11.0
145.06520	18.1
145.10109	13.3
147.04399	3.6
147.08052	8.9
147.11688	13.6
149.09602	10.1
153.09158	5.7
154.07724	3.0
155.08571	4.4
157.06502	3.1
157.10132	12.4
159.08122	4.9
159.11688	5.3
165.12724	3.0
169.10126	4.2
171.08038	5.8
171.10143	3.3
171.11681	6.3
175.11194	5.1
183.11728	3.7
185.09679	5.4
185.13280	5.9
187.14680	3.2
189.11197	16.2
189.12708	6.1
193.12209	17.8
195.11609	3.4
197.13222	5.8
199.11101	4.6
205.12180	5.8
209.09718	3.0
209.13351	4.2
211.11191	4.0
213.12773	2.8
215.14343	5.3
223.13330	2.8
227.12730	14.0
227.14668	3.0
231.13904	3.1
233.15332	15.2
249.14832	4.4
267.15955	40.2
273.15021	12.4
301.07083	8.2
323.20020	5.0
339.23087	3.9
341.21027	10.1
349.21591	8.7
357.24222	10.8
367.22733	33.7
377.35727	2.7
385.23688	50.9
399.46503	2.6
403.24988	21.8
415.24860	7.3
433.25900	20.1
441.26538	5.2
459.27466	100.0
477.28574	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2848
Annotation	Hongdoushan B
Peak:m/z	Relative Intensity
52.49449	2.4
53.03954	5.9
54.48154	2.4
55.01866	13.2
55.05267	3.8
55.05512	50.7
57.03449	15.4
57.72009	2.2
65.03944	2.4
67.05508	48.8
69.03439	6.2
69.07053	11.1
70.33504	10.2
71.04976	3.6
79.05502	60.7
81.03422	45.1
81.07067	39.7
83.04976	10.3
83.08628	32.3
85.02920	2.8
85.06534	6.9
88.43494	2.7
89.45756	2.5
91.05484	47.9
93.07047	34.4
95.04975	29.9
95.08613	25.5
97.06501	6.2
97.10174	44.5
98.20769	3.0
103.05508	3.1
105.07044	29.8
107.04321	2.8
107.04964	31.1
107.08604	26.7
109.06507	8.7
109.10160	14.4
111.04417	3.1
111.08091	5.3
117.07023	12.9
119.08582	18.5
121.06516	30.7
121.10149	12.8
123.08055	10.7
124.46892	2.3
125.09645	30.7
129.07021	19.7
131.04922	5.9
131.08562	20.1
133.06503	10.0
133.10127	10.4
135.04439	3.3
135.08032	11.2
137.09689	2.6
141.06982	6.8
142.07739	2.8
143.08572	11.7
145.06491	22.2
145.10161	14.4
147.08023	8.8
147.11676	10.1
149.09616	9.7
153.09106	6.2
155.08549	5.1
157.06400	4.1
157.10143	11.6
159.08009	7.4
159.11670	5.3
161.05972	3.8
161.09621	3.6
163.11279	3.1
169.10046	3.0
171.08031	7.5
171.10248	4.6
171.11693	7.1
173.09595	3.9
175.11205	11.9
183.11783	3.7
185.13359	3.3
187.11136	4.2
189.09488	2.6
189.11220	9.9
189.12743	4.4
193.12268	26.8
195.11673	2.8
197.13321	2.8
199.11191	4.9
204.73447	2.6
205.12244	4.7
205.15891	2.4
213.12766	2.9
215.14398	4.7
225.12708	3.2
227.12694	20.6
233.15361	14.3
236.91960	2.6
245.15480	4.6
249.14761	3.5
255.13628	3.8
257.15408	2.9
267.15930	41.2
273.14832	10.9
339.23209	4.5
341.21085	8.1
349.21759	12.2
349.71222	2.8
357.24304	8.5
362.10291	2.7
367.22714	32.7
370.25009	2.8
375.25412	3.9
385.23767	57.6
403.24835	28.2
415.24707	4.5
426.09579	2.6
433.25711	30.4
441.26303	6.8
459.27438	100.0
460.27710	2.6
477.28534	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.05507	7.6
57.03431	3.1
57.07077	2.1
59.81955	1.3
62.06090	30.9
65.12357	1.3
65.68027	1.3
67.05508	29.7
69.07069	7.0
70.11466	5.2
79.05486	19.7
79.49493	1.3
81.03390	2.3
81.06589	2.0
81.07056	25.5
83.04984	1.6
83.08604	3.1
86.05145	1.4
88.09422	1.2
91.05487	12.7
93.07044	21.5
95.04922	1.8
95.08606	21.1
98.06043	4.0
98.98473	9.2
99.08097	1.5
104.07005	1.4
105.07042	7.4
107.08601	8.0
109.10156	4.6
117.07001	3.1
119.08570	5.1
121.10140	7.3
123.11745	2.0
124.01616	2.3
129.17976	1.3
131.08525	2.1
133.10109	3.8
135.11664	7.0
143.08435	1.3
145.10089	4.0
147.11658	2.2
149.13216	2.8
155.01042	3.6
159.11768	2.2
161.13268	2.0
173.02121	3.2
173.13237	1.9
198.05228	2.1
216.06328	4.3
232.14507	1.8
243.20961	1.8
261.22141	7.2
297.12039	1.4
301.07028	3.7
304.26355	32.1
307.11765	1.3
335.25803	100.0
350.16965	1.3
353.94922	1.5
415.22592	2.1
435.16559	2.6
458.26733	8.3
476.27014	8.1
489.59555	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1027
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
59.92606	0.2
63.66359	0.1
64.88605	0.2
68.99435	0.1
70.49390	0.4
70.49707	0.2
89.95989	0.2
90.58597	0.2
92.93259	0.2
95.57310	0.2
98.01163	0.1
98.16879	0.2
99.23121	0.2
122.94470	0.2
137.56653	0.2
148.88499	0.2
153.01791	0.4
162.68983	0.2
168.12831	0.2
229.04980	0.3
257.04718	0.2
258.05234	16.5
286.04721	40.1
287.05161	0.4
301.07059	100.0
302.07413	1.0
477.10300	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	476.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03436	13.2
58.43436	0.9
59.04994	2.7
60.04509	2.3
69.03429	45.7
70.29089	1.3
70.29498	1.7
72.91268	0.8
73.02905	1.5
75.04487	1.2
79.58015	1.0
81.03405	2.0
83.04960	1.8
83.51759	0.7
85.02378	1.1
85.02906	29.9
87.04470	30.4
91.05481	4.6
97.02897	34.7
99.04460	1.1
111.04478	1.2
112.49064	0.9
115.03932	47.3
119.04950	15.2
123.04424	1.5
127.03909	3.5
133.04967	50.3
133.06503	1.9
145.04961	3.8
147.04413	100.0
150.07613	15.7
161.05983	2.5
165.05478	53.5
171.04417	2.1
180.08658	2.6
181.61456	0.8
182.08084	1.0
189.05394	6.1
201.05409	1.0
207.06519	10.2
216.55995	0.9
217.99092	1.0
224.33885	0.8
225.05399	1.0
234.47406	0.8
243.06552	3.7
259.08139	1.6
261.07700	1.8
271.44589	0.9
279.08618	6.2
295.10172	1.8
312.12778	1.2
407.97406	1.0
441.35791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
51.04361	0.4
53.03939	1.7
55.01853	0.7
55.05273	0.6
55.05518	7.2
57.03442	6.8
57.07083	0.5
58.27585	0.4
65.03934	1.3
67.05511	32.5
68.05848	0.5
69.06740	0.6
69.07078	8.1
70.08710	1.8
71.04996	0.9
79.05501	15.4
80.05824	1.0
81.03413	0.8
81.07063	24.7
82.07406	0.9
83.04961	1.0
83.08635	2.8
85.06541	0.8
91.05491	8.3
93.07052	14.9
94.07349	0.5
95.04973	1.8
95.08615	17.9
96.08948	0.5
97.06509	0.9
97.10168	1.0
105.04545	0.5
105.07019	4.0
107.08609	7.3
108.08934	0.4
109.06544	1.0
109.10164	5.6
111.08120	0.5
117.07016	1.2
117.07794	0.4
119.08572	4.1
121.10157	6.0
123.08045	0.8
123.11684	1.6
124.01567	0.6
131.08551	2.5
133.10129	1.8
134.10487	0.5
135.11705	3.1
145.10141	1.7
147.11711	1.8
149.13246	1.9
150.13605	0.5
159.11728	0.8
161.13304	1.1
163.14812	0.5
171.11589	0.4
173.13283	0.9
187.81709	0.5
261.22214	0.9
304.26416	3.6
335.25827	100.0
336.26184	1.1
423.20761	0.4
458.26437	0.7
468.32013	0.4
476.31659	2.3
477.28229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3784
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
52.11700	1.3
55.05506	5.7
57.07071	2.7
62.15125	1.3
67.05505	17.1
69.07069	28.6
70.83824	1.1
71.04995	2.2
79.05492	7.7
81.07063	37.0
83.04987	1.4
83.08619	7.1
84.21960	1.0
85.06536	1.3
91.05466	5.7
93.07047	16.9
95.04975	1.8
95.08612	76.5
97.06528	2.0
97.10180	4.6
99.08105	9.3
105.07034	10.4
107.08598	28.1
109.06501	1.9
109.10163	54.2
111.08088	2.1
111.11729	13.8
112.79089	0.9
113.09641	25.5
119.08584	15.1
121.06513	1.4
121.10141	24.8
123.08077	8.2
123.11708	25.2
125.09574	1.7
131.08528	2.7
133.10123	11.3
135.11700	16.5
137.09581	1.4
137.13254	11.6
139.11180	2.3
141.09108	11.9
143.08554	1.6
145.10172	4.5
147.08043	1.3
147.11703	8.5
149.13260	15.5
151.14818	3.6
157.10129	1.9
159.11722	2.8
161.13304	7.5
161.14430	1.1
161.81793	1.1
163.14830	24.2
165.17770	1.3
166.68562	1.2
173.13257	3.7
175.05952	1.1
175.14816	6.3
177.12840	1.6
177.16452	6.4
182.91536	1.3
183.63751	1.1
185.13162	1.6
187.14856	3.8
189.16380	5.2
191.17943	5.9
193.15889	4.1
201.16383	3.0
203.17920	6.5
205.15904	2.2
205.19516	15.7
207.17471	1.9
213.16223	1.3
215.18028	2.4
217.15942	1.5
217.19547	4.0
219.17445	1.6
219.21048	4.7
221.15326	3.0
229.19481	1.5
231.21065	1.5
233.15297	1.6
235.16891	1.9
243.21080	1.7
260.16898	1.3
273.25775	5.9
299.27402	4.0
317.28391	3.5
350.27478	1.1
357.97458	1.2
371.29175	1.5
393.35138	3.1
406.45096	1.2
411.36237	20.0
421.34637	7.9
439.35745	100.0
440.36203	1.4
457.36783	48.2
458.37201	1.2
466.89148	1.3
475.21155	5.7
475.38095	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.05512	5.0
57.07079	1.5
65.03934	0.4
67.05506	8.9
69.03417	0.8
69.07071	9.6
69.36079	1.6
69.36510	0.8
71.04988	1.2
76.46497	0.3
79.05489	3.5
81.07063	16.6
82.66421	0.3
83.04973	1.6
83.08621	6.5
85.06552	1.9
91.05486	2.2
92.29892	0.2
93.06485	0.6
93.07050	7.5
95.05002	0.5
95.08613	27.4
97.06548	0.9
97.10175	3.0
99.08076	0.8
101.06010	0.9
105.07044	2.9
107.08601	27.0
109.06493	0.6
109.10163	27.1
111.08082	1.3
111.11739	3.9
117.07014	0.8
119.08593	2.8
121.10147	10.1
123.08095	0.4
123.11714	7.4
125.09635	34.3
127.11187	0.8
131.08553	1.2
133.10132	2.9
135.11696	7.3
137.09622	0.6
137.12317	0.4
137.13260	4.9
143.07025	0.9
143.08655	0.4
143.10670	2.7
145.10135	1.4
147.11684	2.3
149.09644	0.4
149.13264	6.1
151.11188	0.9
151.14810	0.5
153.09105	7.1
155.10684	0.5
157.10080	0.4
159.11731	1.0
161.13280	2.1
163.11217	0.4
163.14865	3.1
165.12842	0.5
171.10168	100.0
172.10536	0.9
173.13283	1.0
175.14786	0.7
177.16386	3.6
185.13231	0.4
187.14796	0.8
189.16347	1.0
191.14296	0.4
191.17984	3.8
193.15883	0.4
197.11716	0.8
201.16353	0.6
203.17941	1.5
205.15907	0.6
205.19514	7.9
213.16417	0.4
215.17847	0.4
217.19580	1.6
217.21310	0.3
219.17445	0.5
219.21143	0.7
221.15331	0.9
227.18083	0.4
229.19740	0.4
231.21101	1.3
233.22627	0.4
239.16287	0.5
243.21266	0.4
247.16927	0.4
251.04749	0.8
257.22705	0.6
259.24310	0.3
261.18411	0.3
269.17282	0.3
275.20084	0.4
285.25830	0.3
287.27399	3.7
329.28433	0.5
363.17151	0.6
369.31564	0.6
387.32535	0.7
411.36563	0.3
417.69598	0.3
439.35696	1.2
457.36771	6.4
462.70230	0.3
475.37961	8.3
476.37921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.2
55.01880	4.7
55.05513	22.3
57.03442	3.7
57.07083	2.3
59.25087	1.2
65.03945	4.8
67.05507	81.2
69.03453	2.3
69.07069	26.1
69.07420	2.2
70.12226	4.7
71.05003	4.7
73.06579	1.2
77.03918	1.7
79.05495	83.0
81.03424	15.0
81.03867	1.5
81.07057	88.5
83.04984	15.2
83.08622	14.9
85.06554	4.7
86.23553	1.3
91.04905	3.0
91.05482	61.5
93.07046	82.5
95.04967	19.1
95.08607	34.6
97.02908	1.2
97.06531	11.2
97.10200	3.9
99.08117	2.8
103.05482	1.1
105.04561	3.6
105.07034	42.2
106.74261	1.5
107.04948	7.5
107.08596	36.3
107.09298	2.2
109.06512	5.7
109.10151	7.0
111.08087	5.7
111.56360	1.0
115.05464	2.3
117.07008	13.8
117.87102	1.1
119.08582	23.9
119.09367	1.9
121.06531	4.0
121.10154	18.9
121.10934	1.9
123.08066	5.4
123.11755	2.1
125.09665	2.1
127.07559	1.2
128.06267	2.5
129.07014	14.3
131.08589	9.8
133.06520	1.2
133.10138	13.0
135.08081	3.4
135.11697	9.7
137.09625	2.1
139.07568	1.5
141.09071	1.3
143.08559	8.0
145.06522	1.4
145.10106	10.0
147.08072	1.8
147.11693	29.9
149.09706	1.4
149.13269	22.0
149.14355	1.5
153.12791	1.2
156.72995	1.1
157.10172	1.6
159.11676	10.5
161.09689	4.1
161.13261	11.3
163.11243	2.2
165.09146	1.3
171.11690	25.4
177.12825	4.8
179.14328	2.4
189.12767	13.1
195.13751	6.6
200.00580	1.1
207.13818	34.6
207.15697	1.8
225.14986	3.9
227.12842	1.8
290.81586	1.2
365.24884	1.5
399.18573	1.3
413.68118	1.3
457.25909	1.4
475.30756	100.0
476.31201	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
51.49508	0.9
52.28911	0.9
53.03953	8.2
55.01874	4.3
55.05512	23.1
57.03449	5.6
57.07079	2.3
65.03951	5.3
67.05507	83.7
69.03429	2.7
69.07069	23.5
70.78877	3.5
71.04984	4.8
73.06573	1.9
74.90942	1.0
77.03926	1.7
79.05496	81.5
81.03422	12.6
81.07058	83.6
83.04989	15.6
83.08621	16.8
85.06559	5.4
88.51149	1.1
91.04897	2.2
91.05482	55.9
93.07046	82.8
95.04961	19.3
95.05488	1.7
95.08614	33.5
97.06520	12.3
97.10174	3.2
99.08070	3.0
105.04527	2.9
105.07032	39.3
106.92158	1.2
107.04987	7.2
107.08595	36.1
109.06502	5.5
109.10149	6.6
111.07417	1.3
111.08083	6.8
113.09656	1.0
115.05475	1.6
117.07006	11.5
119.08572	20.4
121.06518	4.6
121.10134	16.2
121.10910	1.2
123.08083	5.2
123.11729	3.1
125.09715	1.5
127.07580	1.2
128.06230	1.9
129.07007	15.7
131.08565	9.8
133.06552	1.3
133.10146	13.6
135.08064	2.1
135.11685	7.6
139.11273	1.1
143.08589	6.1
145.10091	7.3
147.08086	3.2
147.11690	32.2
149.09566	1.7
149.13254	25.3
149.14372	1.6
153.12732	2.2
157.10208	1.9
159.11674	10.7
161.09615	4.2
161.13268	9.7
163.14873	1.4
171.11690	22.3
177.12740	5.5
177.16438	1.5
179.14342	1.5
184.26117	1.2
189.12729	11.2
193.12315	2.4
195.13841	7.4
207.13815	35.8
225.14975	4.2
227.12814	1.9
313.97699	1.0
383.22229	1.2
475.30692	100.0
476.30914	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01859	1.1
55.05516	2.0
57.03435	2.3
57.07085	1.7
61.02930	1.4
62.86369	0.9
67.05503	2.6
68.59860	0.8
69.03437	41.2
69.07082	2.5
69.30021	5.8
70.27644	0.9
70.97375	0.8
71.05011	1.6
72.78053	0.7
73.02904	0.7
78.29021	0.7
79.05503	2.7
81.03426	4.9
81.07082	4.8
82.64496	0.7
83.04989	2.8
83.08622	1.4
85.02910	13.5
85.06559	1.9
87.00838	7.0
89.37559	0.9
91.03969	0.9
91.05490	2.2
93.07053	2.3
95.08630	5.3
97.02907	4.8
97.06555	3.8
99.04457	1.8
99.59113	0.7
105.01900	4.6
105.07034	4.1
107.08602	9.6
109.02905	3.7
109.06516	4.0
109.10168	3.5
111.08098	2.6
112.31851	0.8
119.06180	0.8
119.08588	4.3
121.06543	2.2
121.10165	9.1
123.08057	1.7
123.11710	5.4
125.09660	15.8
127.03949	8.3
129.07045	1.1
131.08571	4.9
133.10135	5.1
135.08064	9.8
135.11667	4.4
139.03914	0.9
143.08647	1.1
145.04964	3.2
145.10132	3.1
147.11726	2.6
149.09631	5.5
149.13309	3.7
151.11174	1.7
153.09100	7.3
157.06516	0.8
158.10912	3.4
159.02966	2.2
161.09583	1.3
163.11191	3.5
163.14832	3.3
165.12798	2.8
170.51651	0.9
173.13287	14.0
176.11873	0.9
181.06529	1.0
181.12312	0.9
191.14328	67.7
192.14616	1.2
199.07526	0.9
209.06113	1.1
209.15387	100.0
227.07053	9.7
231.04997	2.0
237.05254	0.8
260.17032	0.9
276.97357	0.9
303.04944	1.9
319.29370	1.0
388.90417	0.9
474.25632	1.2
485.52121	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96301	1.3
56.96570	15.9
69.03439	2.3
69.19133	11.9
71.95261	1.5
79.23223	1.0
81.03414	1.1
84.96053	7.4
85.02924	7.5
91.03992	1.3
91.05483	5.9
97.02895	3.1
97.96774	2.6
98.20834	2.6
98.97600	100.0
110.97585	19.1
112.99139	3.2
115.97819	1.6
116.97832	1.8
116.98637	33.2
117.03387	1.3
119.04960	9.0
121.02859	2.1
124.99169	1.7
127.03941	3.1
128.98619	20.1
130.93408	1.4
130.99327	1.0
131.00217	3.9
134.04665	1.2
134.99681	8.4
135.04439	2.2
136.81943	1.2
139.03926	4.5
140.98624	1.6
143.00143	5.5
144.98083	1.8
146.08156	1.2
146.99651	6.2
147.04436	30.4
148.04767	3.4
149.01234	1.9
154.93309	1.2
158.99690	15.2
160.53757	1.1
161.01273	4.7
162.99249	1.2
163.03912	10.5
165.00772	1.3
167.56909	1.0
170.99673	6.2
177.00755	11.6
180.22522	1.4
182.03291	1.7
189.00764	5.3
194.99739	1.1
200.54553	1.6
201.00732	4.2
208.08615	1.1
211.99907	1.2
219.01781	31.0
219.77336	1.1
220.00406	2.3
220.04338	1.2
223.02802	1.7
226.01503	2.6
227.02197	1.8
235.02806	15.7
236.07288	1.4
237.00497	2.9
237.02811	41.3
238.01469	7.9
241.03886	5.0
243.01674	2.3
251.02243	2.7
253.03888	18.8
255.05598	3.0
256.02567	2.6
260.01987	2.0
261.02786	1.8
269.03354	3.4
271.04974	8.5
277.03870	18.7
278.03146	1.7
279.05435	2.3
281.07275	1.3
281.57275	3.5
289.07593	1.5
295.04922	23.0
311.04529	2.5
313.05917	3.4
337.05902	6.7
344.97726	1.2
367.06866	1.5
374.98459	1.1
379.06741	1.3
397.08215	5.5
415.09174	66.0
416.09558	1.5
429.13788	1.3
433.10165	11.4
454.26776	1.2
456.12024	1.8
475.11343	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	474.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78831	0.6
53.03939	1.5
55.01871	1.2
55.05507	1.0
56.57600	0.7
57.03431	1.0
57.07073	1.9
67.05504	1.9
69.03439	33.2
69.07052	2.1
69.30706	4.4
69.31110	1.6
71.04982	1.0
73.02923	1.2
79.05481	2.1
81.03427	4.6
81.07062	3.7
83.04971	2.3
85.02916	11.6
85.06528	1.3
87.00833	5.8
91.05530	1.7
93.07040	2.3
95.08620	5.8
97.02902	4.5
97.06519	2.6
98.20728	1.4
99.04449	2.3
105.01884	4.9
105.07015	2.9
107.08602	9.5
108.08900	0.9
109.02866	3.0
109.06508	4.1
109.10183	2.5
111.08067	2.0
111.93369	0.8
115.03388	0.7
119.08606	2.1
121.06490	2.2
121.10152	7.2
123.08056	1.9
123.11711	4.6
125.09637	13.1
127.03951	6.7
129.01843	1.0
131.08588	3.6
133.10146	4.0
135.08093	6.8
135.11702	4.0
145.04942	3.6
145.10123	3.5
147.11679	2.2
149.09639	4.7
149.13255	2.2
151.11264	1.0
153.09160	4.2
157.06442	0.9
158.10924	2.2
159.02895	1.6
161.09685	0.9
163.11154	2.3
163.14886	4.0
165.12762	2.6
173.11823	0.9
173.13277	14.0
174.13644	0.8
181.06483	1.8
181.12190	0.9
191.14328	59.0
209.06160	1.2
209.15393	100.0
227.07042	10.2
231.04889	1.3
251.12723	0.9
263.58273	0.8
303.04941	1.9
334.12265	0.7
474.24295	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	8.5
57.07085	1.6
67.05515	2.7
67.10203	0.7
69.07073	100.0
70.18958	2.4
73.06565	1.6
81.07060	3.5
82.07373	0.8
83.08625	2.1
85.02935	0.9
86.06065	1.0
87.04483	4.1
89.06038	90.1
91.07636	0.9
93.07053	1.2
95.08616	2.3
97.10186	1.5
107.07073	5.8
107.08624	1.1
109.02917	0.9
109.10173	2.8
111.11729	23.8
117.09189	1.2
119.08616	0.9
121.10134	1.3
127.11241	2.5
129.12758	5.6
130.08754	0.8
131.07068	1.3
133.08614	51.6
137.13261	0.9
145.05072	0.7
151.09674	5.0
173.15459	1.8
175.99696	0.7
176.27434	0.7
177.11240	23.1
186.98329	0.8
195.12361	2.9
199.17117	0.9
217.18011	6.0
221.13881	4.2
239.14877	3.8
243.19641	1.7
261.20642	6.5
265.16473	1.1
283.17538	3.4
305.23364	1.9
309.19299	0.9
323.24762	0.9
327.20129	12.0
349.25720	1.3
367.27127	1.3
411.29703	1.7
437.31021	5.8
455.32214	38.2
472.22253	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	473.2902
Annotation	Paeonenoide A
Peak:m/z	Relative Intensity
51.02388	1.7
53.03948	7.9
55.01875	4.3
55.05513	17.6
57.03434	3.7
59.04979	0.8
65.03947	4.6
67.05509	44.5
69.03448	3.6
69.07078	10.5
71.04989	2.3
71.15336	0.6
73.06547	1.1
77.03925	1.0
79.05497	62.9
80.04958	0.6
81.03423	91.5
81.07060	38.1
83.04987	11.9
83.08620	17.5
85.02879	0.8
85.06560	1.9
91.05486	58.0
93.07051	47.0
95.04973	34.5
95.08613	21.5
95.09238	0.7
97.02895	2.5
97.06516	4.4
97.10187	5.9
98.21557	1.3
99.08088	1.2
103.05494	2.0
105.04531	2.6
105.07037	41.0
107.04955	9.7
107.08601	13.5
109.06523	6.5
109.10181	4.7
110.16859	0.7
111.04432	1.0
111.08086	7.8
114.42605	0.8
115.05459	2.9
117.07026	8.9
119.04933	1.6
119.08589	30.1
121.06508	4.7
121.10143	7.3
123.08075	4.4
123.11721	0.8
125.09644	2.0
127.07579	1.7
128.06204	3.5
128.30682	0.6
129.07010	20.8
131.08583	13.2
133.06479	3.3
133.10143	9.5
135.08107	1.2
135.11707	1.7
137.09654	2.1
140.59518	0.7
141.07010	1.6
142.07808	2.9
143.08578	7.4
145.06494	1.0
145.10139	8.3
147.08087	4.8
147.10506	1.5
147.11694	28.8
149.09622	4.9
155.08586	1.4
156.09346	0.9
157.06572	1.1
157.10127	10.1
159.08138	1.4
159.11711	0.8
161.09624	2.9
161.13258	7.5
163.11208	1.8
165.12836	1.6
167.08594	1.3
169.10216	1.1
171.08067	1.8
171.11693	19.0
173.13188	0.8
175.11201	8.8
185.13274	1.2
189.11145	1.1
189.12752	9.0
189.16379	0.7
193.12256	27.2
207.13815	22.5
207.15759	1.3
211.13310	0.7
213.12837	0.8
225.14951	2.7
229.15926	1.4
231.13847	0.8
249.14885	5.3
258.59851	0.7
269.15411	0.9
281.17542	2.3
287.16370	0.9
335.24008	0.8
363.23236	0.9
381.24316	3.1
399.25394	1.8
403.24966	1.2
455.27808	2.4
473.29037	100.0
474.29214	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
55.01867	5.6
55.05518	6.4
57.03436	3.1
57.07070	2.0
61.02929	3.4
67.05505	4.4
68.22884	1.2
68.99791	1.8
69.03432	14.1
69.07085	7.7
70.04840	4.9
71.04990	2.8
73.02902	3.9
79.05486	6.5
81.03419	15.2
81.07062	35.0
83.08629	3.5
85.02910	36.8
87.00826	13.7
87.69124	1.1
91.05492	9.6
93.07040	10.1
95.04961	1.7
95.08607	17.8
97.02905	17.0
97.10168	2.1
99.04477	7.9
105.01871	11.8
105.07037	48.4
105.89429	1.4
107.08623	10.2
109.02880	14.4
109.06562	1.3
109.10159	12.3
117.01861	2.6
117.06976	1.4
119.08585	58.8
121.10142	12.9
123.08149	1.5
123.11707	5.9
127.03922	29.0
129.01869	1.4
131.08562	3.5
133.10138	17.2
135.11691	5.4
137.05997	1.4
145.04967	13.9
145.10133	5.3
147.02808	1.8
147.11696	58.7
149.09612	1.5
149.13274	4.6
159.02904	10.9
159.11731	3.6
160.12505	1.6
161.13272	8.9
165.12820	1.6
173.13216	1.7
175.14929	1.5
197.12962	1.2
203.17963	100.0
205.19479	1.7
221.19017	14.2
231.05002	5.3
231.17555	1.7
247.00797	1.5
273.70200	1.2
277.17688	1.5
298.81021	1.4
469.21033	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	470.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92131	0.3
56.96566	0.7
65.03935	1.3
71.27316	0.4
75.46262	0.3
79.60655	0.3
80.90614	0.3
83.04969	0.6
85.02903	0.6
91.05483	12.4
95.04967	0.4
95.39751	0.3
97.02856	0.5
98.97552	0.5
111.04454	1.3
115.76263	0.4
118.23145	0.3
119.04943	25.8
121.06548	0.6
123.85662	0.4
129.05478	0.6
139.03889	1.2
147.04411	100.0
148.04738	0.7
157.05002	0.9
174.13441	0.3
175.06029	1.8
193.04950	4.9
194.05290	3.8
264.09839	0.4
275.78348	0.4
289.09238	1.4
352.80273	0.4
435.12982	1.0
470.14584	0.8
494.39780	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01877	3.1
55.05515	3.6
57.03452	3.0
57.03663	0.6
57.07079	1.5
61.02904	1.9
66.04031	0.6
67.05500	5.3
68.99788	1.3
69.03429	11.7
69.07063	6.2
69.95493	1.9
69.95903	1.3
71.04982	1.9
73.02918	2.8
76.05416	0.5
79.05496	3.9
81.03420	13.4
81.07055	22.9
83.08599	1.9
85.02905	26.4
85.06520	0.7
87.00837	12.9
87.04479	0.9
91.03907	0.8
91.05487	5.2
93.07047	7.0
95.04958	1.2
95.08605	19.0
97.02293	0.9
97.02885	12.5
97.06516	2.3
97.10170	1.1
99.04455	5.9
105.01870	10.6
105.07031	36.2
106.07356	0.7
107.08601	7.7
109.02876	9.9
109.10159	11.9
111.08096	1.5
116.58221	0.6
117.01851	2.1
117.06986	1.3
119.08581	36.0
121.10144	12.4
123.04393	1.0
123.08092	0.7
123.11695	7.7
127.03922	21.0
129.01846	1.8
131.08574	2.3
133.10135	15.5
135.11694	3.6
137.09651	0.9
137.13243	0.6
145.04976	9.8
145.10147	3.7
147.02901	1.3
147.11693	40.8
149.13240	2.3
151.11290	0.7
157.10175	0.7
159.02913	7.0
159.11708	2.0
160.12416	1.2
161.13266	9.0
165.12746	0.8
171.11765	0.6
173.13214	1.1
175.14816	1.6
201.16400	1.2
203.17958	100.0
204.18330	1.1
213.03842	0.9
219.17302	0.6
221.19012	13.6
231.04973	4.4
259.09543	0.7
311.19949	0.8
329.21036	0.8
350.74744	0.7
433.22098	1.2
469.19626	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
53.44934	1.3
55.01855	4.5
55.05311	1.3
55.05508	14.1
57.03424	4.8
57.07064	4.2
57.30777	1.3
61.02916	4.2
67.05170	2.1
67.05504	23.2
68.99782	5.5
69.03430	21.1
69.06738	1.4
69.07076	20.0
69.37421	11.6
71.04987	10.1
72.78362	1.3
73.02903	2.4
79.05489	15.2
81.03411	13.3
81.06593	2.4
81.07058	45.7
83.04970	4.8
83.08627	10.0
85.02907	25.7
85.06564	1.9
87.00818	12.1
91.05487	20.7
93.06483	2.4
93.07040	35.6
95.04977	16.1
95.08609	47.7
97.02896	12.9
97.06512	5.4
97.10173	6.8
98.20805	3.1
99.04448	4.4
99.08086	2.2
103.03938	2.3
105.01865	4.6
105.07033	62.2
107.04960	3.3
107.08596	35.8
109.02859	12.5
109.06493	6.6
109.10154	37.5
111.04434	6.0
111.08069	2.7
111.11749	1.9
113.02320	1.5
113.06042	1.8
115.03949	6.8
117.06990	4.9
119.04936	3.5
119.08581	49.4
121.06491	5.5
121.10162	25.1
123.04405	6.7
123.08038	5.8
123.11697	15.8
125.05948	1.8
125.09618	3.4
125.41933	1.5
127.03924	11.5
127.07542	1.5
127.11190	10.7
128.06261	2.2
128.16116	1.5
129.01831	5.8
129.06984	4.2
131.08574	11.4
133.06490	2.3
133.10143	36.6
135.08049	5.5
135.11682	17.2
137.05975	2.9
137.09627	4.1
137.13197	4.8
139.03877	3.1
139.11195	2.2
142.07800	2.9
143.08554	7.6
145.04942	2.6
145.06502	1.6
145.10132	25.2
147.02887	1.9
147.08028	3.0
147.11688	79.1
149.09602	3.0
149.13237	10.2
151.11130	3.5
153.12764	3.4
155.07205	1.7
155.08560	3.2
156.09294	2.1
157.10118	8.8
159.02858	5.4
159.08093	2.5
159.11688	18.0
161.09615	4.1
161.13254	16.5
163.03894	4.1
163.11183	4.4
163.14799	2.3
169.10106	3.5
171.11682	9.0
173.09573	2.3
173.13274	5.9
175.11189	3.0
175.14862	6.9
177.12755	4.5
177.16353	3.2
181.10146	3.1
183.11736	4.2
185.13220	3.6
187.14847	3.8
189.03928	3.4
189.09041	2.4
189.12637	2.3
189.16374	6.3
191.14311	3.6
191.17961	3.2
195.11647	2.0
197.13263	4.1
199.11290	1.4
199.14740	1.6
201.03931	1.7
201.12737	2.9
201.16397	8.4
203.17961	100.0
205.19437	1.8
207.11655	2.5
209.13240	2.6
213.16443	3.4
215.14308	1.4
215.17961	3.5
219.17410	4.8
221.18930	10.2
223.14804	2.0
225.12740	5.1
225.16396	1.8
227.18053	1.7
231.05095	2.6
231.17406	3.2
233.18953	3.7
241.15967	3.4
243.13861	2.1
243.17586	1.8
245.19005	5.0
251.14253	2.2
257.19028	3.9
259.09647	3.3
261.18460	2.4
263.19955	4.1
277.21613	4.2
287.20129	2.9
293.18881	2.6
301.21677	3.7
311.20166	9.6
316.92529	1.5
319.22662	1.9
329.21085	7.7
347.22217	2.3
382.60358	1.7
415.20935	5.5
433.22061	4.1
451.22964	9.0
469.19867	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.205
Annotation	Trp Thr Tyr
Peak:m/z	Relative Intensity
55.05505	1.5
57.03429	0.4
58.83934	0.3
61.02924	0.5
62.49041	0.3
67.05504	1.2
69.03419	1.6
69.07074	1.7
70.11343	1.3
70.11690	0.4
71.04984	0.6
79.05494	1.2
81.03417	1.2
81.07073	3.7
83.04999	0.5
83.08626	0.6
85.02906	2.4
85.06564	0.5
87.00829	0.6
91.05482	1.5
93.07040	2.5
95.04974	0.5
95.08614	3.5
97.02884	1.2
97.06544	1.0
97.10191	0.5
105.01886	0.5
105.07051	3.1
107.08621	2.1
109.02892	0.6
109.10160	2.2
119.04964	0.7
119.08598	1.9
120.08034	0.4
121.10172	1.8
123.11720	1.2
127.03908	1.4
131.08582	0.5
133.10095	2.0
135.11688	0.9
137.13194	0.3
139.03947	0.6
145.04971	0.5
145.10124	0.6
147.04399	2.5
147.11700	2.3
149.13249	1.1
159.02954	0.4
159.11661	0.7
161.13263	1.2
163.03914	0.9
163.11290	0.4
173.02333	0.4
187.14993	0.4
189.11086	0.4
193.11923	0.8
203.05309	1.2
203.17966	6.0
205.03101	0.3
215.07019	0.5
221.18988	1.0
257.06351	1.1
259.09686	0.9
283.05875	0.4
285.10065	0.6
286.95737	0.3
299.07516	1.3
303.08664	0.5
317.08456	12.8
355.17233	5.1
375.46567	0.3
429.43512	0.4
469.20462	100.0
470.20599	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
55.01863	6.0
55.05520	4.5
55.85726	2.3
57.03426	2.9
61.02926	3.2
64.37702	2.1
67.05486	6.0
69.03426	16.6
69.07069	12.3
70.28003	2.8
70.28350	7.0
71.04991	4.8
73.02905	5.9
78.91270	2.3
79.05495	5.7
81.03428	18.5
81.07064	39.1
83.04954	2.6
85.02903	40.1
85.19698	2.2
87.00838	13.4
90.96542	2.3
91.05505	11.4
91.06001	2.8
93.07042	9.5
95.04984	4.0
95.08606	18.3
97.02898	20.2
97.06528	10.0
97.10207	3.2
99.04449	6.9
99.08118	2.7
99.56748	2.2
105.01859	9.7
105.07040	50.7
107.08592	9.0
109.02893	13.2
109.10159	10.4
117.01850	2.7
117.07008	3.5
119.08588	60.0
121.10141	19.0
123.11687	7.1
127.03922	26.5
131.08548	4.0
133.10138	20.0
135.11684	4.7
145.04964	15.4
145.10121	5.7
147.11693	63.4
157.10078	3.0
159.02910	11.1
161.13239	9.5
163.03918	7.7
173.02338	5.0
203.17967	100.0
215.07013	7.3
221.19075	13.4
227.16347	3.7
228.16745	6.4
231.05257	4.9
259.09750	8.0
277.10840	2.9
290.83945	2.4
480.51428	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	469.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.6
56.78845	0.7
56.96562	1.7
61.02923	0.7
65.03941	1.5
66.65640	0.6
67.05493	0.6
68.99773	1.2
69.03438	2.0
70.07251	1.4
70.07644	1.1
73.17992	0.7
79.05499	1.0
81.03424	0.9
85.02921	4.5
89.03910	2.4
91.05486	1.1
93.03426	0.8
95.04987	1.3
97.02870	1.9
98.53651	0.6
98.97591	2.3
107.04945	1.5
111.04436	2.0
116.98601	1.1
117.03362	1.6
119.04941	1.8
121.02889	0.6
123.04412	3.1
127.03927	2.6
128.98598	0.6
131.04953	1.2
133.02835	1.6
135.04460	5.1
139.03911	100.0
140.04208	0.6
143.00192	1.0
145.02878	2.4
147.04439	4.3
148.04843	0.7
151.03918	6.3
153.01799	0.6
153.05437	0.8
158.97441	0.7
159.04443	0.8
163.03925	21.1
164.04266	0.8
168.09477	0.6
169.04994	2.7
177.05560	1.3
179.03474	0.8
181.05009	4.3
182.99657	0.7
195.06488	1.1
205.05022	1.4
219.01805	1.4
234.96938	2.4
237.02901	1.4
247.06047	0.9
252.97952	2.7
289.07205	4.6
307.08087	3.6
307.12888	1.4
309.33841	0.6
313.54520	0.7
363.01605	0.8
364.19812	0.6
391.01260	0.9
409.02429	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1345
Annotation	Catechin-4-ol 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
51.01137	0.2
53.00309	0.5
53.03941	0.5
55.01871	0.9
57.03424	0.7
61.02934	1.5
65.03947	1.0
67.05479	0.7
68.99441	0.2
68.99785	1.1
69.03435	3.9
71.04998	0.4
71.09753	0.5
73.02914	0.5
75.07017	0.2
76.29501	0.2
79.05495	0.6
81.03413	1.6
83.04998	0.4
85.02911	10.4
86.09713	0.3
87.04491	0.5
91.03958	0.7
93.03399	0.7
95.04978	1.5
97.02908	3.7
99.04446	0.7
105.03410	0.2
107.04973	1.2
109.02914	1.2
111.00793	0.4
111.04458	1.1
117.03383	0.2
119.97626	0.2
121.02864	0.9
121.06526	0.3
123.04454	3.3
127.03912	2.9
131.04906	0.3
133.02866	4.9
135.04420	2.1
139.03911	100.0
140.04233	0.5
145.02893	0.5
145.04979	1.7
147.04420	1.1
149.05997	0.6
151.03915	9.2
153.01848	0.3
153.05515	0.9
154.04732	0.3
159.04431	0.9
159.56190	0.2
163.03920	10.5
169.04984	8.9
177.05504	1.0
179.07103	0.6
181.04965	5.9
195.06580	0.9
202.94235	0.2
205.04997	3.4
223.06062	0.3
229.05040	0.8
242.01935	0.2
247.06004	0.9
271.06033	0.3
283.08112	0.3
289.07095	6.9
293.07144	0.3
307.08099	3.7
307.11969	0.3
307.12827	0.3
331.10315	3.3
405.14294	0.5
452.04459	0.2
469.13095	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.6
57.03423	1.2
61.02933	15.4
62.03255	2.0
63.03343	1.7
65.03937	1.5
67.05485	2.6
68.99789	1.4
69.03419	6.1
69.07059	2.5
69.67844	3.9
70.03775	1.1
71.05001	6.8
73.02909	2.9
74.99184	0.8
79.05502	1.5
81.03423	2.2
81.07059	3.9
83.04992	1.9
83.08615	1.6
85.02912	12.7
85.06528	1.1
86.03236	3.1
86.09717	1.1
87.03313	1.3
87.04473	3.0
91.03973	5.5
91.05450	1.6
92.04295	2.1
93.04438	0.9
93.07043	4.8
95.04963	6.2
95.08625	4.9
97.02895	6.1
97.06529	2.9
98.03220	1.4
99.08085	1.9
105.05527	4.0
105.07021	2.4
107.08585	5.1
107.77340	0.8
109.02867	1.2
109.10160	9.7
110.03229	1.2
111.00784	0.9
113.06027	4.8
114.19369	0.7
119.08600	3.3
121.02892	1.0
121.10147	3.4
122.03211	1.1
123.11710	2.9
125.09650	1.2
127.03925	2.2
127.07529	1.2
127.11204	13.5
131.07027	3.1
131.08559	2.4
137.02348	4.3
137.09627	1.0
138.02690	2.8
139.02788	1.9
139.11188	1.2
143.10721	1.4
145.04927	1.8
145.10115	2.0
147.11708	2.3
149.09604	1.8
149.13260	5.7
153.01814	5.4
154.02174	3.1
155.02319	1.9
159.11819	1.2
163.03928	5.5
164.04359	1.5
165.01836	1.6
166.02187	2.4
167.02374	0.9
167.10660	1.1
167.14313	19.6
173.05971	0.9
174.06367	0.9
183.02815	1.1
184.03204	1.2
184.07315	1.2
189.09114	1.4
195.07994	0.9
201.05476	1.4
202.05742	2.0
203.06030	1.0
205.15855	1.7
210.14824	0.8
213.09024	0.8
215.07196	0.9
217.08575	0.8
217.15871	3.3
223.16936	2.1
229.04910	3.4
230.05307	4.2
231.05434	1.9
232.05849	1.8
235.16988	6.7
253.18034	9.2
257.04303	1.4
258.04855	2.4
259.05157	1.8
259.09644	6.1
260.05225	1.9
271.15445	0.9
271.19040	4.9
277.05490	1.0
286.04352	1.2
287.04492	1.2
288.04901	1.6
289.19977	2.6
303.05017	27.6
304.05347	69.3
305.05551	61.5
306.05807	100.0
307.05725	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
58.38573	0.2
63.02370	0.4
64.21170	0.3
67.05484	0.5
67.19309	0.3
68.99799	0.3
69.03416	0.4
71.54168	0.3
79.05486	1.6
81.07030	0.4
83.04972	1.1
85.02888	0.6
87.69653	0.2
89.03915	9.5
93.03387	0.4
95.04959	0.8
97.24730	0.2
98.97599	0.6
107.04961	2.5
111.04454	2.2
117.03384	11.1
121.02852	0.8
129.05472	1.0
135.04416	19.0
139.03902	2.6
145.02849	13.4
145.03845	0.4
157.04961	2.6
163.03903	100.0
164.04224	0.6
175.06023	2.1
182.15341	0.3
193.07111	0.4
213.04463	0.3
217.94490	0.2
233.08063	0.4
245.08092	0.5
263.09088	0.6
289.11310	0.5
319.08041	0.4
326.55133	0.3
337.09186	0.5
451.12762	0.3
461.78561	0.3
469.13681	0.3
469.20728	0.3
469.34076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.6
57.03423	1.2
61.02933	15.4
62.03255	2.0
63.03343	1.7
65.03937	1.5
67.05485	2.6
68.99789	1.4
69.03419	6.1
69.07059	2.5
69.67844	3.9
70.03775	1.1
71.05001	6.8
73.02909	2.9
74.99184	0.8
79.05502	1.5
81.03423	2.2
81.07059	3.9
83.04992	1.9
83.08615	1.6
85.02912	12.7
85.06528	1.1
86.03236	3.1
86.09717	1.1
87.03313	1.3
87.04473	3.0
91.03973	5.5
91.05450	1.6
92.04295	2.1
93.04438	0.9
93.07043	4.8
95.04963	6.2
95.08625	4.9
97.02895	6.1
97.06529	2.9
98.03220	1.4
99.08085	1.9
105.05527	4.0
105.07021	2.4
107.08585	5.1
107.77340	0.8
109.02867	1.2
109.10160	9.7
110.03229	1.2
111.00784	0.9
113.06027	4.8
114.19369	0.7
119.08600	3.3
121.02892	1.0
121.10147	3.4
122.03211	1.1
123.11710	2.9
125.09650	1.2
127.03925	2.2
127.07529	1.2
127.11204	13.5
131.07027	3.1
131.08559	2.4
137.02348	4.3
137.09627	1.0
138.02690	2.8
139.02788	1.9
139.11188	1.2
143.10721	1.4
145.04927	1.8
145.10115	2.0
147.11708	2.3
149.09604	1.8
149.13260	5.7
153.01814	5.4
154.02174	3.1
155.02319	1.9
159.11819	1.2
163.03928	5.5
164.04359	1.5
165.01836	1.6
166.02187	2.4
167.02374	0.9
167.10660	1.1
167.14313	19.6
173.05971	0.9
174.06367	0.9
183.02815	1.1
184.03204	1.2
184.07315	1.2
189.09114	1.4
195.07994	0.9
201.05476	1.4
202.05742	2.0
203.06030	1.0
205.15855	1.7
210.14824	0.8
213.09024	0.8
215.07196	0.9
217.08575	0.8
217.15871	3.3
223.16936	2.1
229.04910	3.4
230.05307	4.2
231.05434	1.9
232.05849	1.8
235.16988	6.7
253.18034	9.2
257.04303	1.4
258.04855	2.4
259.05157	1.8
259.09644	6.1
260.05225	1.9
271.15445	0.9
271.19040	4.9
277.05490	1.0
286.04352	1.2
287.04492	1.2
288.04901	1.6
289.19977	2.6
303.05017	27.6
304.05347	69.3
305.05551	61.5
306.05807	100.0
307.05725	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.9
55.45382	0.9
57.03438	1.4
57.07081	30.6
59.04989	3.1
65.03946	2.4
67.05509	88.4
69.07069	7.8
70.11286	1.6
70.11637	2.4
71.04990	2.5
71.08636	20.6
79.05489	3.4
81.07059	24.4
83.08627	14.8
85.06539	3.1
85.10188	12.1
89.06045	1.4
91.05476	5.4
93.07024	4.0
95.08611	22.4
97.10155	4.3
98.20862	1.3
99.08117	0.8
107.08610	1.9
107.54974	0.8
109.10163	63.7
110.10507	0.9
111.08112	2.5
111.11723	0.9
112.08497	0.8
119.07838	0.9
119.08593	4.8
123.11715	3.8
137.09612	2.6
137.13252	2.5
155.10693	4.7
173.11745	21.1
173.13191	1.3
189.55696	0.8
221.22728	0.8
239.23665	8.2
402.77878	0.8
467.37396	100.0
468.37973	2.0
472.73422	0.8
485.57285	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
55.01876	3.2
55.05516	4.1
57.02531	1.5
57.03437	2.5
60.08128	1.6
61.02910	4.8
67.05494	6.7
69.03425	5.0
69.03793	1.4
69.07059	5.8
70.06602	1.4
71.04992	6.2
71.38236	2.7
79.05492	7.0
81.03414	1.7
81.07050	17.6
82.20007	1.5
83.04976	6.9
83.08590	2.9
85.02904	12.8
85.06532	2.7
86.09695	7.0
87.04449	1.9
91.05476	4.7
93.07052	25.6
95.04964	5.9
95.08614	15.6
97.02880	4.7
97.06532	16.5
99.04461	8.7
104.10747	13.8
105.07042	18.0
107.04973	3.2
107.08592	11.0
109.06507	16.7
109.10164	4.0
111.04449	1.9
111.08097	7.3
113.06010	5.0
115.03954	3.7
119.08559	10.0
121.05666	2.8
121.06509	46.8
121.10178	3.6
123.04462	2.3
123.08044	2.5
123.11680	3.1
125.00005	2.8
125.05985	7.9
127.03899	2.1
127.07558	5.2
129.06973	1.5
131.08589	3.0
133.10109	9.0
135.04410	5.8
135.08034	5.5
137.05972	3.3
139.07529	14.5
139.11198	1.9
141.05505	1.6
143.07076	7.7
143.08591	2.4
145.02855	2.4
145.04907	1.7
145.10153	3.3
147.08058	2.7
147.11696	20.0
151.11130	2.2
157.08597	7.9
157.10103	6.2
157.12216	4.3
159.06538	4.8
161.13268	7.1
163.03915	14.4
165.12762	10.8
169.12286	4.3
171.11670	8.5
173.09644	2.8
175.11180	15.6
179.93719	1.5
181.10085	2.1
183.68889	1.5
184.07335	12.2
189.12714	12.5
193.12251	14.6
199.11171	17.9
207.13789	10.7
211.13319	15.6
217.12253	48.4
225.26514	1.6
229.14310	5.3
230.05267	1.9
235.13298	70.0
236.13594	1.8
253.14360	100.0
259.09650	1.7
271.15414	22.4
289.16467	23.2
294.45630	1.7
303.05023	9.7
304.05331	20.7
305.05527	18.8
306.05795	29.4
306.38046	1.8
396.19574	1.7
418.11267	1.5
460.70126	1.8
468.23270	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	466.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01855	1.0
55.05519	1.6
55.80987	0.6
57.03453	3.9
57.07075	1.8
57.34445	0.6
61.02938	2.0
67.05515	6.6
69.03438	13.1
69.07076	4.3
69.31206	4.9
69.31618	1.0
73.02925	1.1
79.05496	7.2
81.03426	2.6
81.07066	100.0
81.55747	0.6
82.28001	0.8
83.04996	1.2
83.08618	1.6
85.02917	16.5
86.09770	0.7
87.04475	9.9
88.07436	0.6
91.03951	1.0
91.05494	2.5
93.07053	5.6
95.04990	1.2
95.08620	15.8
97.02900	14.0
99.04505	1.5
101.93072	0.8
103.05459	0.7
105.07045	1.7
107.08604	2.7
109.02917	1.5
109.10169	2.6
115.03947	24.8
115.76163	0.6
117.07059	0.8
119.08630	1.4
121.06551	2.0
121.10181	1.0
123.04427	0.7
123.11708	1.0
127.03960	3.4
131.08617	0.8
133.04982	23.7
133.10158	1.9
135.11777	1.2
137.02472	0.7
137.13274	22.0
139.07664	0.6
145.04961	3.7
147.11684	0.8
149.13287	1.7
150.07651	2.0
159.11748	2.0
163.06050	0.7
177.12755	3.7
179.14307	1.5
195.13860	1.4
241.07130	1.5
251.16495	0.9
259.08356	2.4
263.16531	0.9
269.17508	11.0
277.09335	1.8
288.05963	1.1
295.10242	3.3
303.05054	2.7
304.05371	5.3
341.11429	0.7
423.30640	0.8
465.96405	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1188
Annotation	Taxifolin 4'-glucoside
Peak:m/z	Relative Intensity
55.01870	1.4
57.03405	1.0
61.02920	0.9
65.03945	2.4
67.01854	1.3
68.99791	2.2
69.57742	4.5
81.03413	1.4
84.15806	0.8
85.02926	4.9
95.04967	2.2
97.02889	1.9
105.03385	1.1
105.33731	0.9
107.04983	1.3
109.02850	1.2
111.04436	4.2
119.04914	1.2
121.02899	7.4
123.04436	53.8
125.02367	1.1
127.03916	3.7
133.02856	2.9
135.04424	2.8
137.02390	1.7
137.05896	0.8
139.03894	5.2
145.04935	1.0
147.04405	4.5
149.02356	74.1
150.03082	2.7
151.03874	2.9
153.01839	100.0
156.14633	0.9
157.06474	3.1
161.02338	5.8
163.03888	2.0
165.01872	2.5
167.02220	1.1
167.03455	9.9
171.02864	2.3
175.03961	1.5
175.07574	1.9
179.03400	3.6
183.02788	1.5
185.06006	8.4
191.03339	1.4
195.02904	24.6
203.03398	2.0
203.07062	0.9
213.05481	14.5
217.04807	1.3
231.06534	60.8
241.04939	6.1
258.05246	2.8
259.06042	60.0
287.05505	33.4
301.07172	1.1
305.06564	99.5
317.06522	1.7
325.07025	1.5
347.07443	1.2
353.06442	1.1
395.07452	1.1
438.92908	1.1
466.86154	0.9
467.11163	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
53.65372	0.4
55.01849	0.6
55.05513	4.2
56.68592	0.4
57.03192	0.5
57.03439	5.4
57.07065	1.0
61.02929	2.4
65.72179	0.4
67.05508	20.6
69.03431	3.8
69.07069	7.8
71.01354	0.5
71.04985	1.9
73.02908	1.1
79.05077	0.8
79.05497	10.6
81.03410	1.6
81.07060	28.5
83.04977	2.5
83.08210	0.4
83.08630	4.7
85.02907	5.1
85.06551	2.1
87.04471	1.9
88.90428	0.3
91.03957	1.3
91.05489	4.6
93.07048	19.3
95.04953	1.6
95.08607	7.5
97.02907	3.6
97.06541	4.5
97.10181	0.9
99.04461	0.5
99.08080	1.4
102.92168	0.4
105.07030	2.1
107.08598	10.4
109.06502	1.0
109.10137	1.2
111.08084	3.3
111.11736	0.5
113.09641	0.5
115.03959	2.7
117.07013	3.4
119.08593	1.2
120.03511	0.3
121.06495	0.6
121.09335	0.6
121.10149	8.0
123.08041	0.4
123.11727	1.0
125.09552	0.4
127.03899	0.9
127.07549	0.4
131.08592	3.6
133.04973	2.7
133.10162	2.3
135.08040	1.2
135.11713	3.5
136.86070	0.5
137.13266	0.6
139.11169	0.8
145.10123	0.4
147.11688	0.8
149.13257	15.7
151.11198	0.5
159.11702	7.9
177.12796	3.2
179.14246	0.5
195.13824	5.7
212.33456	0.5
213.14819	0.6
216.14774	0.4
269.17487	100.0
270.18060	0.9
287.18500	1.4
288.05814	0.8
290.06323	0.7
303.05115	0.8
304.05420	2.6
312.05673	0.4
339.18347	0.4
451.35052	0.5
466.11563	0.5
466.28574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.5
55.01860	4.9
55.05515	25.6
57.03446	14.7
65.03941	4.7
67.05511	67.6
69.03429	4.5
69.07068	18.2
71.01359	4.1
71.04987	6.2
72.43683	1.4
77.03939	1.7
79.05499	61.4
81.03425	42.0
81.06587	2.4
81.07063	47.4
82.07397	1.6
83.04996	18.7
83.08626	20.0
85.02915	20.3
85.06534	4.6
85.71470	1.4
91.05485	48.8
93.07049	60.4
95.04984	30.9
95.08614	17.2
97.02895	2.6
97.06547	11.7
97.10169	11.3
98.20767	4.7
99.04475	1.6
99.08106	3.9
102.45136	1.2
105.07042	25.9
107.04987	8.4
107.08608	40.6
109.06515	6.4
109.10144	8.8
111.04446	2.6
111.08098	10.3
112.13818	1.7
113.05956	1.6
117.07046	8.5
119.08577	20.5
121.06509	4.7
121.10125	13.9
123.08073	4.6
123.11678	3.0
125.09641	4.7
128.06244	2.0
129.07010	9.3
131.08583	10.8
133.06522	3.9
133.10132	14.9
135.08037	2.0
135.10696	3.2
135.11702	42.7
137.09573	2.7
142.07831	2.6
143.08557	1.8
145.10127	9.4
147.08087	2.8
147.11682	10.8
149.09602	5.8
153.01787	1.9
153.12775	2.1
155.94142	1.4
157.10123	9.0
159.11708	2.9
163.11205	8.9
165.12767	1.8
175.11186	11.4
177.12808	2.2
179.50774	1.5
181.12221	9.2
185.13214	1.7
187.11301	1.7
193.04959	1.8
193.12265	45.2
195.13705	1.6
199.11580	1.3
211.13297	46.5
211.15298	2.7
229.14360	1.9
231.40588	1.4
249.88493	1.6
255.15965	12.2
267.15948	7.7
285.17242	1.7
287.05511	4.9
288.05975	2.9
289.06146	5.4
303.04953	18.2
329.21085	4.3
355.22583	2.7
373.23618	7.5
403.24722	3.2
421.25671	1.9
447.27457	16.7
465.28470	100.0
466.31216	3.2
491.95932	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.9
55.01868	8.3
55.05277	2.2
55.05516	27.2
56.17094	1.7
56.96542	2.0
57.03447	16.5
59.04976	2.3
62.84208	1.5
65.03925	4.8
67.05507	73.3
67.09561	1.9
69.03412	3.9
69.07069	22.4
71.04996	11.4
71.53597	1.8
79.05495	72.0
81.03420	51.3
81.07057	55.9
83.04985	23.5
83.08636	20.2
85.02910	24.3
85.06508	3.5
89.53088	1.8
91.04904	2.3
91.05484	54.0
93.07046	69.6
95.04373	4.1
95.04970	57.9
95.08619	23.4
97.06548	14.0
97.10143	17.5
99.08091	2.1
105.04509	2.3
105.07037	29.9
107.04942	9.9
107.08601	36.4
109.06510	8.1
109.10142	11.9
111.04448	2.1
111.08103	9.3
115.05468	2.7
117.06998	12.5
119.08588	23.1
121.06511	8.4
121.10155	15.1
123.08066	5.3
123.11709	3.6
125.09622	7.0
127.07523	2.4
129.06992	13.6
130.07835	1.9
131.08540	12.7
133.06523	3.6
133.10126	15.3
135.08038	4.2
135.10703	3.4
135.11691	49.8
137.09569	4.3
142.07814	4.1
143.08574	3.5
145.10129	15.2
147.08006	4.2
147.11693	14.9
149.02342	3.6
149.09586	6.2
151.11189	2.2
153.09125	2.0
153.12727	2.4
155.08501	2.7
157.10155	12.6
159.11674	5.3
161.09665	3.6
163.11192	10.0
165.12773	2.3
169.10124	2.2
175.11171	13.8
177.12732	2.9
181.12158	9.6
185.13329	1.9
187.11186	3.8
189.11191	4.1
193.12263	42.7
199.13301	2.2
205.12332	4.1
211.13304	48.7
215.27106	1.8
223.13264	2.3
255.15840	13.5
256.26230	2.2
267.15845	14.2
285.16898	3.2
287.05490	4.6
288.05664	2.7
289.05994	7.9
303.05045	15.2
310.03482	2.3
311.19894	1.9
329.21222	10.7
347.22256	4.8
355.22598	8.4
373.23792	20.1
403.24722	6.4
421.25900	9.4
429.33609	3.4
435.42712	2.3
440.12720	1.9
447.27310	25.3
447.33401	2.8
465.28439	100.0
466.31531	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	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.3
55.01904	1.2
55.05517	7.2
57.03445	6.1
59.04995	1.0
61.02931	4.0
67.05508	13.9
69.03438	2.3
69.07079	8.1
69.89112	5.0
71.05001	3.7
73.02935	1.5
79.05498	7.5
81.03432	1.5
81.07066	50.9
83.04997	3.0
83.08627	4.7
85.02914	5.7
85.06545	3.0
91.03941	2.4
91.05489	15.1
93.07058	7.5
95.04978	1.7
95.08620	10.1
97.02910	2.2
97.06535	4.1
97.10181	1.5
99.08111	2.2
105.06393	1.8
105.07047	20.9
107.08621	9.0
108.74175	1.1
109.02898	2.0
109.06524	4.5
109.10204	1.4
113.05969	1.2
119.08601	17.2
121.10159	12.6
123.08086	2.9
123.11724	19.5
127.03899	1.2
127.07572	2.5
133.10147	1.4
137.13289	2.4
144.76625	1.0
145.10126	1.4
147.11707	51.5
153.01878	1.5
157.10161	1.3
165.12770	21.2
175.11238	2.0
183.13835	2.8
193.12300	2.6
211.13336	1.4
229.14369	8.4
267.13010	2.1
267.15930	36.9
285.17001	100.0
287.05579	3.1
288.05789	2.9
289.06042	6.3
303.05014	27.3
379.58911	1.0
447.22275	2.9
456.10605	1.2
465.13739	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	465.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.01858	3.4
55.05513	24.0
57.03202	1.2
57.03440	16.4
57.07070	2.1
65.03934	2.6
67.05505	54.9
69.03416	3.0
69.07069	16.9
70.55174	2.8
71.01350	3.4
71.04990	8.0
75.55040	1.0
77.03896	1.1
77.87693	1.0
79.05495	51.8
81.02940	1.9
81.03419	45.5
81.07059	42.1
83.04981	17.8
83.08620	17.5
85.02905	19.7
85.06524	3.9
91.05486	40.4
93.07045	54.5
95.04974	32.7
95.08611	15.0
97.02862	2.5
97.06543	11.2
97.10172	11.9
99.08105	2.0
105.04515	1.8
105.07028	22.4
107.04967	8.0
107.08600	31.4
109.06499	5.6
109.10136	8.0
111.04420	2.0
111.08076	8.5
113.05999	2.3
115.05488	1.8
117.07025	6.9
118.30289	0.9
119.08585	22.7
121.06542	5.0
121.10155	11.7
121.10966	1.9
123.08044	2.9
123.11721	1.8
125.09618	3.8
128.06218	1.3
129.07004	9.7
130.07776	1.6
131.08569	9.7
133.06491	1.9
133.10150	12.2
135.08075	1.9
135.11700	39.9
137.09595	3.1
142.07755	2.4
143.08574	1.5
145.06532	1.0
145.10130	10.9
147.08069	2.5
147.11687	11.9
149.09561	4.4
149.13222	0.9
151.11089	1.2
153.01770	0.9
153.12762	1.9
157.10136	11.1
159.11676	2.2
163.11217	7.8
164.94527	0.9
165.12791	2.3
175.11186	13.3
177.12762	1.2
181.12202	6.8
185.13196	1.5
189.11214	1.8
193.12251	42.7
199.13177	1.0
199.14799	1.0
203.14302	1.1
211.13292	51.1
223.13283	1.0
229.14284	1.0
249.14902	2.6
255.15874	16.2
257.04526	2.0
267.15900	10.1
286.04373	1.3
287.05444	3.4
288.05664	1.7
289.06058	3.4
303.05011	14.4
329.21173	4.0
347.22113	1.1
355.22830	2.1
373.23816	6.0
391.25085	1.5
403.24841	2.6
421.25916	3.5
429.30182	1.5
432.72522	1.0
447.27335	19.0
465.11703	2.9
465.28488	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1184
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
53.03915	0.5
55.01858	0.5
55.05521	1.9
55.96038	0.3
57.03408	0.8
61.02914	0.4
65.03912	0.5
67.05504	3.8
68.99768	0.3
69.03415	0.5
69.07082	1.4
70.05355	1.3
71.01337	0.3
71.04962	0.4
79.05499	3.4
81.03418	1.8
81.07054	4.2
82.28071	0.2
82.73901	0.3
83.04960	0.9
83.08584	1.0
85.02872	1.3
85.06568	0.6
89.03957	0.3
90.23230	0.3
91.05494	4.5
93.07055	3.0
94.07417	0.3
95.04964	2.1
95.08617	1.9
97.02874	0.4
97.06511	0.8
97.10133	0.9
102.04645	1.0
102.09229	0.3
105.06501	0.3
105.07030	2.9
107.04945	0.7
107.08617	2.5
109.06487	0.8
109.10108	1.1
110.03671	0.4
111.04426	0.3
111.08055	0.7
117.03374	0.4
117.07012	0.6
118.04132	0.5
119.04958	1.6
119.08570	1.8
121.06490	0.6
121.10101	1.0
123.04375	0.9
123.08030	0.3
123.11754	0.4
125.05933	0.4
125.09619	0.4
129.06929	0.5
130.04143	1.5
131.04895	0.6
131.08536	1.0
132.05681	0.4
133.06462	0.8
133.10080	1.3
135.04424	0.7
135.11691	2.7
136.05211	1.6
137.02359	0.4
137.05931	1.2
137.09575	0.4
139.03873	0.6
145.02814	0.5
145.10106	0.8
146.03618	3.0
147.03426	0.3
147.04424	2.4
147.11632	1.3
148.05203	4.1
149.09586	0.4
149.13266	0.3
151.03938	0.3
151.07585	0.4
153.01851	4.4
157.10133	0.8
159.08078	0.3
161.06021	2.4
161.13087	0.3
162.06728	1.0
163.03903	1.7
163.11191	0.5
163.18150	0.3
175.11176	0.6
181.12215	0.3
193.12210	1.8
201.05527	0.4
203.03409	3.6
211.13277	2.0
229.04991	4.4
241.04980	0.9
242.05754	11.5
243.05940	0.3
253.04980	3.5
255.06395	0.5
255.15881	0.5
257.04465	48.9
258.05246	16.6
258.07410	0.2
259.05789	0.5
267.15906	1.1
269.04327	2.0
270.05331	1.9
271.06018	1.3
273.18530	0.4
283.06055	0.5
285.03961	7.5
286.04733	33.7
287.05511	16.5
288.05786	1.4
289.06027	2.9
295.05930	0.7
297.03915	5.5
299.05539	1.6
300.06201	0.5
303.05017	7.2
327.04956	1.9
341.06509	1.4
347.09097	0.4
355.22675	0.4
359.09256	0.3
361.07074	0.4
373.06860	0.3
375.08716	0.8
387.08627	0.8
389.06454	0.4
403.08234	1.3
415.08194	0.8
431.07343	0.4
432.08621	2.6
435.10837	3.9
447.10803	13.8
447.27969	0.6
464.30862	0.5
465.11853	100.0
465.28381	4.1
466.12170	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.29331	0.1
57.45540	0.1
64.52970	0.1
65.03942	0.2
68.99794	0.7
69.03416	0.2
69.67694	0.4
69.68117	0.4
77.67069	0.1
81.03411	0.1
82.90506	0.1
85.02897	0.2
89.05089	0.2
93.03432	0.3
95.04979	0.3
97.19775	0.1
109.02873	0.5
111.00780	0.9
115.51170	0.1
119.04980	0.1
121.02889	0.9
123.04427	0.4
127.03908	0.2
135.04399	0.2
137.02347	4.0
137.03404	0.3
139.03923	0.2
149.02357	0.5
153.01830	4.3
155.04875	0.2
159.61198	0.1
160.74741	0.1
161.05994	0.4
163.03952	0.7
165.01845	2.2
166.02597	0.3
173.05991	0.5
177.05620	0.1
179.03307	0.1
179.25096	0.2
183.02895	0.9
183.04448	0.3
187.03917	0.4
191.03447	0.2
195.02962	0.2
201.05466	2.2
205.05003	0.3
211.03807	0.2
213.05484	0.2
219.06564	0.4
228.04266	0.2
229.04961	5.0
239.03592	0.2
239.11955	0.2
247.06009	0.8
257.04446	3.1
267.11182	0.2
274.04721	0.7
275.05423	0.2
285.03900	1.4
285.12289	0.4
287.69104	0.1
303.04996	100.0
304.05362	1.0
373.05237	0.2
388.81744	0.1
394.68311	0.2
404.55627	0.1
465.10281	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1033
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
50.21120	0.2
53.03935	0.3
57.03425	0.6
61.02652	0.3
61.02933	3.8
67.01876	0.3
67.03819	0.2
68.99792	0.6
69.03429	1.6
69.15946	1.7
69.16359	0.4
73.02916	0.9
78.21349	0.2
81.03405	0.7
85.02911	6.1
87.04454	0.2
91.03976	2.0
93.03432	0.3
97.02892	2.5
98.66058	0.2
99.04413	0.3
105.03441	0.3
107.92188	0.2
109.02890	0.8
111.00786	0.6
121.02877	0.8
122.49236	0.2
127.03910	1.3
137.02359	2.8
137.03346	0.4
139.03957	0.2
145.04929	0.9
151.03885	0.4
153.01839	4.1
161.06013	0.3
163.03952	0.7
165.01846	1.7
173.05984	0.5
183.02873	0.8
183.04347	0.3
195.02931	0.3
201.05496	1.2
203.03516	0.3
205.05161	0.2
219.06538	0.2
229.05008	4.0
247.06091	0.6
257.04477	2.7
274.04797	0.5
285.04019	1.5
287.05453	0.8
288.05856	0.6
289.06000	1.1
303.05008	100.0
304.05374	0.9
315.04938	0.3
345.06174	0.9
369.06009	0.3
373.04398	0.2
465.10388	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03954	0.1
54.07932	0.1
61.02921	0.2
62.44795	0.1
65.03944	0.2
67.01884	0.1
67.05495	0.1
68.99782	0.5
69.03423	0.2
70.06557	0.1
71.53111	0.1
71.53487	0.1
73.02871	0.1
81.03410	0.2
85.02893	0.3
90.57748	0.1
91.11737	0.1
93.03394	0.3
95.04974	0.2
97.02879	0.2
102.25752	0.1
105.07018	0.1
107.05001	0.1
109.02886	0.4
111.00813	0.9
111.04409	0.1
121.02866	1.2
123.04420	0.6
127.03925	0.3
131.04924	0.1
133.78696	0.1
135.04413	0.3
137.02353	3.6
137.03357	0.2
139.03905	0.3
145.02856	0.1
145.06458	0.1
147.04460	0.1
149.02319	0.6
151.03914	0.1
153.01837	4.3
153.63385	0.1
155.04935	0.4
155.06038	0.1
161.05989	0.3
163.03940	0.8
165.01852	2.1
166.02681	0.3
173.05975	0.4
177.01826	0.1
179.03317	0.1
183.02905	0.9
183.04417	0.2
187.03897	0.3
191.03493	0.2
191.07158	0.2
195.02852	0.3
201.05495	1.9
205.04956	0.2
207.02911	0.2
211.03873	0.2
213.05547	0.2
215.03493	0.1
219.03084	0.2
219.06586	0.3
228.04218	0.2
229.04980	4.9
232.03419	0.1
233.04430	0.1
239.03404	0.1
246.05348	0.1
247.06085	0.8
257.04465	3.0
267.11304	0.1
274.04758	1.0
275.05392	0.1
285.03949	1.5
285.12408	0.1
286.04947	0.1
303.05005	100.0
304.05325	0.9
315.04919	0.2
345.06122	0.1
380.13895	0.1
464.73828	0.1
465.10358	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	Delphinidin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03922	0.1
56.04789	0.1
57.03407	0.2
59.69644	0.1
61.02929	0.6
61.03178	0.2
66.37225	0.1
67.01869	0.6
68.99769	0.4
69.03419	0.6
71.46349	0.3
73.02904	0.3
81.03387	0.3
85.02911	1.2
91.03931	0.3
95.04926	0.1
97.02851	0.4
105.03407	0.1
111.00764	0.1
121.02881	0.1
127.03879	0.2
133.02826	0.4
137.02283	0.4
139.08521	0.1
142.41946	0.1
151.03906	1.2
153.01828	5.2
173.02423	0.1
177.01785	0.4
195.02760	0.2
201.05481	0.3
203.03374	0.6
229.04979	0.9
235.57166	0.1
241.68796	0.1
247.06000	0.1
257.04434	1.8
274.04758	0.2
285.03845	0.7
285.16922	0.2
287.05499	0.6
288.05829	0.4
289.06143	0.7
297.15967	0.1
302.04297	0.3
303.04990	100.0
304.05313	1.0
358.92572	0.1
465.10312	24.0
466.10455	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	Quercetin 3-beta-D-glucoside
Peak:m/z	Relative Intensity
60.74934	0.2
61.02929	0.2
66.57732	0.1
67.01857	0.4
68.99815	0.2
69.03429	0.2
71.04428	0.3
72.46320	0.1
73.02929	1.0
85.02887	0.5
97.02824	0.2
103.44592	0.2
111.00842	0.2
133.02815	0.2
151.03912	1.2
153.01834	4.4
167.89108	0.2
171.02965	0.2
177.01865	0.3
203.03366	0.4
229.04991	0.4
257.04456	1.4
263.86652	0.2
285.04071	0.7
286.04730	0.4
288.05368	0.4
301.07037	0.5
302.07425	0.6
303.04996	100.0
304.05328	0.8
323.70291	0.2
361.32916	0.2
379.56955	0.2
465.10352	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	465.1029
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.15672	0.2
55.01856	0.2
57.03426	0.5
61.02928	6.6
61.65337	0.2
65.03929	0.3
68.99773	0.5
69.03422	0.8
69.57036	1.2
70.84358	0.2
73.02924	1.7
74.83698	0.2
81.03420	0.5
85.02909	5.8
91.03959	4.1
93.03397	0.3
95.04958	0.3
97.02892	3.1
99.04441	0.2
109.02885	0.7
110.03642	0.2
111.00787	1.2
115.03912	0.3
117.07076	0.2
121.02885	0.9
127.03910	0.8
137.02341	3.7
145.04959	0.6
145.92513	0.3
149.02318	0.5
153.01837	4.2
155.04933	0.3
161.05988	0.3
163.03928	0.6
165.01836	2.2
166.02637	0.2
173.06059	0.4
183.02885	0.7
183.04381	0.4
187.03873	0.3
201.05482	1.4
205.05014	0.2
219.06548	0.3
229.04961	4.6
247.06041	0.9
257.04422	2.9
274.04800	0.9
285.03986	1.2
289.06177	0.2
303.04993	100.0
304.05286	0.9
315.04791	0.3
335.47556	0.2
345.06131	0.4
447.09741	0.3
449.42194	0.2
463.76410	0.2
465.10291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.39455	0.2
57.03437	0.5
61.02927	7.7
65.03934	0.3
68.99786	0.7
69.03436	1.1
69.77209	0.8
70.40692	0.2
73.02917	1.9
81.03409	0.9
85.02913	5.9
91.03419	0.3
91.03960	3.9
92.48582	0.2
93.03417	0.5
96.54724	0.2
97.02895	3.0
98.20853	0.4
99.04491	0.4
109.02895	0.4
111.00802	1.1
115.03928	0.3
121.02850	0.9
123.04353	0.2
127.03946	1.3
135.04408	0.3
137.02348	4.5
137.03404	0.3
145.04951	0.8
149.02344	0.4
153.01845	5.0
155.04936	0.3
161.05972	0.3
162.93094	0.3
163.03926	0.7
165.01830	2.1
166.02544	0.3
173.05951	0.6
179.03310	0.2
183.02908	1.0
183.04337	0.5
187.03799	0.5
191.03369	0.2
191.39650	0.2
195.02997	0.3
201.05466	2.3
219.06592	0.3
228.04282	0.3
229.04982	5.5
243.58710	0.2
247.06067	0.7
257.04431	3.5
274.04874	1.0
285.03961	1.5
289.06012	0.6
303.04993	100.0
304.05286	1.2
369.05914	0.2
417.85410	0.2
470.04294	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	464.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18927	1.5
52.01197	1.4
53.03946	3.4
55.01865	2.3
55.05505	2.6
57.03435	3.2
61.02925	7.1
67.05484	2.4
67.09268	1.7
67.17005	1.3
69.03438	22.1
69.07077	4.0
70.65588	2.2
70.65916	3.3
71.04996	11.5
73.02928	5.3
79.05500	3.7
81.03427	10.7
81.07083	9.6
85.02912	77.1
87.04471	23.6
91.03951	3.9
91.05491	3.9
93.07050	14.5
94.26645	1.4
95.08619	4.2
97.02905	19.2
99.04435	4.2
101.02411	1.6
103.03949	4.1
105.07008	4.7
107.04967	2.2
107.08598	13.6
109.02901	9.5
109.06535	2.2
109.10152	3.0
115.03941	100.0
117.07061	1.5
119.08586	5.9
121.06526	3.9
121.10119	2.7
127.03938	32.3
131.08543	2.3
133.04988	28.4
133.10181	2.1
135.11719	16.4
143.08632	1.7
145.04973	30.1
145.10147	3.0
153.12758	47.2
159.11656	1.8
161.13338	1.9
163.06041	7.0
165.12827	3.1
173.09679	5.0
177.12761	2.1
191.10701	2.6
195.13765	1.5
201.12798	2.0
207.13924	2.1
217.07007	1.6
219.13759	2.2
232.67648	1.5
237.14948	2.7
241.07204	1.8
243.13850	5.7
259.08203	12.3
261.14886	5.4
277.09229	30.9
279.15994	3.1
287.05490	16.3
288.05853	34.4
296.96243	1.9
297.17001	2.9
303.05011	2.0
315.18118	2.5
375.18008	2.2
393.19016	8.3
411.20255	10.4
429.21045	2.4
464.30856	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	463.3785
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
55.05513	16.6
57.07079	35.3
67.05495	7.8
69.07075	23.9
71.08634	26.5
71.53584	4.5
79.05494	5.6
81.07069	22.7
83.08621	17.1
85.09368	3.1
85.10196	18.4
91.05492	5.1
93.07033	8.7
95.08607	20.9
97.02930	3.1
97.10184	15.0
99.04465	3.6
105.07047	6.6
107.08621	6.5
109.06514	15.5
109.10162	10.0
111.11736	6.9
119.08592	6.5
121.06487	3.3
121.10114	6.1
123.08049	15.5
125.05984	14.8
125.09695	2.7
125.64674	3.1
127.07571	42.0
129.08690	2.8
136.98286	2.8
137.05984	8.3
139.07549	100.0
149.05952	5.9
149.09651	4.7
149.13251	4.3
151.07529	7.6
167.07005	5.2
175.14732	3.3
177.09120	12.0
200.94849	2.7
287.05579	11.2
301.28894	6.3
319.29926	12.7
347.33142	16.9
373.30804	7.0
417.37305	17.0
445.36923	80.0
463.31052	4.3
463.37842	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	464.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07078	1.4
69.54418	6.5
70.85609	1.1
71.04982	4.9
73.02921	9.9
73.06563	1.4
79.05487	2.1
81.03388	1.4
81.07052	9.6
85.02901	5.3
93.07057	6.8
95.08603	2.4
96.54256	1.2
97.02887	1.8
105.07056	1.7
107.08607	6.1
109.10145	1.5
115.03936	1.9
121.05476	1.4
123.04478	1.3
127.03864	1.4
133.10146	1.6
135.04445	1.9
135.11682	9.1
137.02309	1.4
145.04935	1.3
147.20284	1.1
153.01819	5.6
153.12750	79.8
154.02130	1.9
183.02750	1.3
203.17935	2.1
229.04915	2.3
239.20081	2.8
255.17136	1.3
259.05661	2.0
286.04791	3.7
287.05466	47.7
288.05853	100.0
301.06982	6.5
302.07391	19.8
303.05020	52.2
464.09061	4.7
464.24780	6.8
470.88580	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.0
57.07064	2.8
59.04999	1.3
61.76542	1.0
62.63197	1.1
67.05505	10.8
69.03428	4.2
69.07077	13.5
69.86063	3.4
69.86456	2.1
71.08652	1.5
79.05510	5.1
81.07056	15.6
83.04969	2.1
83.08624	8.9
85.06561	2.8
85.10094	1.2
91.05497	3.4
93.07046	15.9
95.04960	1.5
95.08617	23.9
95.09166	0.9
97.06566	4.0
97.10197	2.6
105.07045	7.2
107.08614	13.7
109.10159	21.9
109.96526	1.0
111.08089	35.9
111.11729	4.8
119.08570	6.6
121.10144	11.4
123.11703	10.6
125.06010	2.0
127.11168	1.3
129.09164	2.6
133.10124	5.3
135.04457	1.5
135.11731	6.3
137.09653	2.2
137.13258	5.6
139.07552	18.0
143.07028	3.8
145.10133	2.0
147.11674	5.0
149.13260	5.9
151.11215	2.0
151.14816	2.0
153.01854	3.7
157.08614	49.3
159.11685	2.3
161.13268	3.1
163.14838	6.3
165.12810	1.8
169.08603	2.3
171.10182	6.7
173.13185	1.2
175.14867	3.7
177.16411	3.5
189.16388	2.6
191.17984	1.6
193.15839	1.5
197.11734	3.9
205.19527	5.6
211.13391	2.6
217.19485	1.1
219.21274	1.2
231.21149	1.8
233.22774	1.5
235.16953	2.1
245.22896	2.0
249.18465	1.3
281.21249	2.4
287.05524	100.0
288.05743	2.3
311.31833	1.3
375.32675	1.8
427.36008	1.6
445.36932	13.8
458.08301	1.1
463.08676	2.6
463.31949	6.4
463.37863	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	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
53.98615	0.5
55.01878	1.0
55.05512	3.8
57.03424	1.7
63.49671	0.5
65.03918	0.7
67.05509	12.5
67.76589	0.5
69.03439	0.6
69.07076	4.0
71.04969	0.6
71.27041	0.9
71.27362	0.5
79.05492	9.2
81.07063	9.2
83.04969	1.1
83.08616	2.3
85.06541	1.0
91.05487	10.8
93.07040	9.2
95.04961	1.7
95.08609	6.2
97.06532	1.4
97.10153	0.6
105.06309	0.7
105.07034	10.0
107.04942	1.4
107.08601	5.3
109.06520	1.4
109.10151	1.7
111.08084	0.9
115.05453	0.8
117.07014	5.0
119.08596	5.9
121.06523	1.8
121.10182	3.1
123.08105	0.6
128.06262	0.9
129.07021	3.9
131.08588	7.7
133.06461	0.7
133.10136	4.4
135.04385	1.9
135.08052	0.9
135.11703	1.3
141.06984	0.9
143.08557	3.8
145.10132	6.0
147.08055	1.0
147.11690	1.2
149.09628	0.8
149.13251	1.7
151.11137	0.6
153.01831	5.0
154.47133	0.5
155.08549	1.5
157.10135	1.9
159.08090	0.6
159.11716	2.7
161.02251	0.7
161.09613	0.7
161.13249	0.9
167.08490	0.6
169.10104	1.2
171.11702	1.3
173.13304	0.8
175.14746	0.5
176.42021	0.5
177.12796	0.7
181.10094	1.0
182.64922	0.5
183.11658	0.9
185.13264	1.3
187.14873	1.0
195.11726	1.1
195.13756	0.8
197.13277	1.1
199.14749	0.6
209.13478	0.7
211.14886	1.0
223.14873	0.8
225.16417	0.6
233.15439	0.7
247.17070	0.6
287.05508	100.0
288.05832	2.5
325.25284	1.4
335.23721	1.9
343.26233	1.5
353.24820	5.2
369.49115	0.7
371.25851	7.3
389.26859	7.7
427.28406	0.7
445.29477	16.4
445.35571	0.9
463.08710	3.5
463.20975	0.8
463.23709	0.8
463.30539	13.7
486.55862	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05511	27.2
55.38093	3.2
57.07082	35.7
63.83341	3.5
67.05511	22.0
69.07067	49.5
69.52380	13.1
69.52814	10.5
70.06501	3.2
71.08635	36.5
79.05502	21.1
81.07056	64.0
83.05009	3.7
83.08615	25.3
85.10165	15.2
91.05471	15.9
93.07051	37.3
95.08611	62.3
97.06519	4.2
97.10166	13.9
105.07027	37.4
107.08591	51.1
108.50510	3.5
109.06544	4.5
109.10172	31.9
111.11723	17.1
117.06975	9.5
119.08588	34.6
121.10140	34.6
123.08051	5.4
123.11697	21.1
125.13297	5.9
129.05475	4.0
129.07001	7.0
131.08566	29.8
133.10114	35.1
135.08017	3.9
135.11703	23.5
137.13239	12.3
139.07518	4.6
143.08527	7.3
145.10150	31.9
147.11719	34.5
149.13228	20.0
151.14769	6.4
153.09036	3.5
155.07031	8.5
157.10069	11.7
159.11673	29.7
161.13258	16.2
163.14827	7.4
165.09082	13.9
169.10172	3.3
171.11731	10.0
173.13252	15.2
175.11122	3.7
175.14938	6.0
177.09094	6.8
177.16368	4.2
179.10684	4.7
185.13213	7.9
187.14809	8.5
189.16354	15.9
191.10690	15.0
199.14749	6.4
201.16350	6.1
203.18031	4.8
205.12239	5.6
213.16255	5.5
217.19463	5.3
219.13782	7.9
221.22731	4.3
223.13339	4.1
227.17848	5.1
231.21129	4.9
233.15367	4.9
243.21036	4.5
245.15327	6.5
247.16925	4.1
247.24138	5.2
261.25732	9.3
263.16220	4.7
273.18457	7.4
287.05524	100.0
287.20065	8.3
305.21133	7.4
335.50568	3.7
341.32068	18.3
343.33597	24.5
367.33728	9.0
385.34570	11.2
409.34436	7.8
427.35788	59.4
445.36807	85.6
463.08508	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	463.3054
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03943	4.3
55.01863	2.8
55.05512	16.2
55.51375	0.7
57.03431	5.4
57.07073	2.3
64.07194	0.9
64.82126	0.7
65.03941	2.9
67.05505	68.6
69.07067	22.4
69.53207	1.2
69.53616	4.5
71.04997	5.0
71.08633	1.3
73.02925	0.9
79.05492	43.4
80.95721	0.9
81.03412	3.7
81.07056	87.0
83.04982	6.9
83.08617	13.3
83.45029	0.8
84.37579	0.8
85.06556	4.9
87.82960	0.8
91.05479	25.5
93.07044	60.6
95.04968	6.9
95.08607	24.9
97.06536	10.7
97.10176	1.3
98.21465	0.8
99.08109	2.9
105.04507	1.8
105.07030	12.4
107.04968	1.3
107.08592	32.2
109.06519	2.7
109.10153	3.1
111.08089	5.7
113.09650	1.1
116.53184	0.7
117.07022	11.7
119.08616	4.1
121.06531	2.8
121.10149	17.0
123.11727	3.4
125.09599	1.1
129.07008	1.9
131.08575	12.1
133.10124	12.9
135.04358	0.9
135.08093	2.2
135.11685	11.7
137.09683	0.9
139.11188	2.2
145.10120	2.2
147.11723	2.0
149.09557	1.4
149.13258	35.8
153.01868	1.3
157.10127	1.2
159.08113	0.9
159.11687	17.5
167.14304	1.4
173.13281	1.0
177.12773	7.9
195.13821	23.3
197.13281	1.1
213.14868	3.2
251.16408	1.6
287.05499	34.3
291.83377	0.8
335.23611	1.3
346.42877	0.8
353.24698	2.6
371.25830	4.1
389.26865	3.0
427.28357	0.9
445.29532	7.3
463.30557	100.0
464.30896	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	463.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.9
53.03954	5.7
54.30166	0.8
55.01864	2.8
55.05272	1.3
55.05519	15.8
57.03439	5.7
57.07066	2.7
65.03946	2.7
67.05510	73.4
69.07074	24.5
71.05006	4.6
71.38482	1.4
73.02926	1.3
74.86633	0.8
77.03943	1.1
78.22489	0.8
79.05500	47.8
81.03418	2.2
81.07063	94.6
83.04992	7.9
83.08627	13.6
83.53750	0.8
85.06564	6.3
91.05486	23.4
93.07050	67.5
95.04972	5.2
95.08615	20.4
97.06534	12.9
97.10157	1.4
99.04479	1.0
99.08084	3.3
105.04479	1.0
105.07043	8.0
107.04965	1.5
107.08605	36.2
109.06528	2.9
109.10177	3.1
111.08094	9.5
111.11733	1.1
113.06002	1.1
113.09632	1.3
117.07029	10.7
119.08575	4.1
121.06479	1.2
121.10161	20.0
123.08070	1.0
123.11714	2.5
125.09604	1.1
127.07591	1.3
129.07053	2.1
131.08585	10.6
133.10153	8.2
135.08035	1.4
135.11696	10.7
139.11163	2.4
145.10133	1.1
147.11700	2.5
149.13272	50.7
153.01857	1.7
159.11714	19.1
165.23009	0.9
167.14362	1.1
177.12749	9.4
195.13815	22.3
213.14876	3.6
251.16364	2.3
259.33859	0.8
269.17642	1.1
287.05521	53.4
371.25864	1.4
445.29474	3.3
463.09012	2.1
463.30573	100.0
464.30627	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Verbacine
Peak:m/z	Relative Intensity
52.92410	0.9
53.03937	3.3
55.01860	2.8
55.05269	1.1
55.05514	15.6
57.03447	6.2
57.07077	2.5
65.03927	3.6
66.48381	1.0
67.05508	74.0
69.03447	1.0
69.07067	25.0
70.71615	2.2
71.01371	1.1
71.04992	4.6
73.02926	1.2
75.83887	0.9
79.05499	45.1
81.03409	3.5
81.07058	95.2
83.04979	8.3
83.08621	17.0
85.06557	5.3
91.05487	24.6
93.07046	81.5
95.04948	5.4
95.06130	1.0
95.08620	21.8
97.06533	13.4
97.10173	1.8
99.08098	3.4
105.04533	2.7
105.07043	7.5
107.08598	36.7
109.06519	3.2
109.10168	4.0
111.08074	9.3
117.07023	8.5
119.08581	1.8
121.06472	1.6
121.09324	1.9
121.10146	24.1
123.11736	2.2
131.08566	11.4
133.10150	10.0
135.08055	2.0
135.11697	10.6
139.11137	2.0
145.10176	1.3
147.11684	1.9
149.09599	1.6
149.13266	49.7
150.53152	1.0
151.11195	1.9
159.11703	18.9
167.14357	1.8
177.12749	11.2
195.13812	18.9
213.14891	3.9
287.05530	17.3
371.25760	1.4
421.05096	1.0
463.30536	100.0
477.18152	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02343	1.2
53.03921	4.3
55.01849	3.5
55.05513	21.6
57.03442	6.5
57.07047	2.2
65.03915	3.3
67.05511	54.8
67.05853	2.2
69.07071	16.8
69.90485	2.9
69.90878	2.1
71.04963	4.3
73.31805	1.1
77.03876	1.5
79.05501	42.4
81.03398	1.9
81.07060	56.8
83.04948	4.6
83.08626	12.2
85.06503	2.8
90.77575	1.2
91.05487	59.4
93.07049	51.1
95.04968	6.2
95.08611	29.8
97.06539	5.5
97.10146	3.7
103.05418	2.8
105.07035	58.5
107.04906	4.6
107.08614	26.5
109.06546	6.1
109.10159	11.6
111.08044	4.4
111.11664	1.2
115.05393	5.1
116.06190	2.4
117.07030	25.9
119.04944	1.6
119.05917	1.2
119.08586	34.2
121.06516	6.7
121.10155	14.5
123.08007	4.2
123.11674	2.6
125.09596	2.5
128.06174	3.8
129.07016	18.5
131.08572	45.2
133.06471	3.0
133.10133	21.1
135.04349	2.1
135.08003	3.5
135.11737	7.9
137.09592	2.3
141.07016	6.2
142.07779	2.8
143.08554	15.9
145.06435	2.9
145.09077	1.6
145.10126	27.1
147.07985	5.1
147.11703	6.5
149.09576	5.6
149.13246	7.9
151.11179	1.5
153.01785	4.0
153.09073	1.7
155.08553	9.3
157.10152	13.4
159.11713	14.7
161.09552	3.4
161.13193	3.4
167.08484	4.0
169.10130	10.7
170.21478	1.3
171.07979	1.3
171.11687	9.3
173.13174	5.0
177.05403	1.8
177.12642	2.6
181.10040	4.9
183.11682	5.8
185.09624	1.2
185.13199	5.8
187.11118	1.7
187.14746	4.2
189.16263	2.0
195.06416	4.4
195.11620	3.6
195.13565	2.3
197.13275	7.5
199.11104	1.6
199.14758	2.6
201.12694	2.6
203.14394	1.3
209.07964	1.3
209.13124	3.7
211.14745	3.6
213.12715	2.0
213.16344	2.1
215.14267	1.7
217.15874	1.8
219.13663	1.3
221.15341	1.8
223.09406	2.4
223.14751	3.3
225.16258	2.1
227.14305	1.7
233.15338	3.3
237.11104	1.3
237.16441	2.2
241.15866	2.8
243.17412	1.5
245.15169	2.3
247.16855	4.3
255.17496	2.9
257.18939	1.2
259.16833	3.8
261.18512	3.0
269.18851	1.7
273.18500	2.8
275.19894	1.7
287.05502	100.0
307.24078	1.3
325.25317	5.5
335.23715	7.3
343.26361	13.9
353.24747	33.3
361.27048	1.3
371.25803	40.1
389.26871	43.1
427.28278	3.3
445.29474	82.9
463.08310	3.9
463.30185	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3057
Annotation	Verbacine
Peak:m/z	Relative Intensity
50.30000	0.9
50.83528	1.0
52.09638	1.1
53.03952	5.5
55.01860	3.5
55.05515	19.9
56.96562	1.2
57.03454	7.4
57.07074	2.5
63.47330	1.0
63.74565	1.1
65.03937	4.3
67.05511	71.6
69.03438	1.3
69.06735	1.6
69.07076	24.2
71.04995	3.8
73.02901	1.4
77.03925	1.5
78.49451	1.0
79.05502	50.7
81.03418	2.2
81.07064	89.1
83.04986	6.8
83.08622	17.0
85.02912	2.1
85.06537	5.8
87.47134	1.0
91.00590	0.9
91.05489	41.6
93.07054	74.9
95.04989	7.3
95.08613	27.2
97.06540	12.5
97.10155	1.5
98.80712	1.2
99.04495	1.6
99.08096	2.3
103.05515	1.3
105.04510	1.6
105.07036	23.6
107.04970	1.9
107.08604	39.3
109.06515	4.3
109.10150	6.4
111.08101	8.1
115.05467	2.1
117.07037	17.0
119.08595	14.7
121.06518	3.9
121.10152	22.6
123.08051	1.2
123.11739	3.0
125.09676	1.1
128.06204	1.5
129.07013	6.4
131.08574	24.0
133.10150	16.6
133.82507	1.1
135.04453	1.1
135.08070	1.9
135.11722	9.4
139.11226	1.9
141.07004	1.5
143.08559	7.0
145.10138	8.6
147.08029	1.4
147.11726	2.1
149.09683	1.2
149.12054	1.8
149.13274	35.6
151.11229	2.1
153.01825	3.5
155.08575	2.2
156.35188	1.2
157.10143	4.6
159.11684	16.6
167.08582	1.6
169.10194	1.9
171.11781	2.1
173.13286	1.6
177.12775	8.4
183.11769	2.4
187.14894	1.3
195.11905	1.8
195.13802	15.6
197.13327	1.3
199.14926	1.5
211.14944	1.5
213.14784	2.3
213.16591	1.4
223.15050	1.9
227.14395	1.4
233.15427	1.8
251.16306	1.6
269.10587	5.4
287.05515	80.1
316.11807	4.2
325.12436	1.7
325.25565	1.7
335.23752	3.6
343.26575	2.8
353.24722	9.3
371.25806	8.7
389.26962	11.7
445.29550	29.1
454.72052	1.3
463.08795	2.3
463.30597	100.0
464.30457	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	463.1238
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
58.64162	0.1
69.99599	0.5
80.67479	0.1
85.02921	0.1
98.20750	0.1
153.01755	0.5
174.20107	0.1
188.57973	0.1
223.42094	0.1
224.01486	0.1
229.05072	0.3
257.04596	0.2
258.05264	13.5
259.05798	0.2
286.04742	34.5
287.05502	4.5
287.08841	0.1
301.07080	100.0
302.07483	1.2
463.12616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1236
Annotation	Ombuin 3-arabinofuranoside
Peak:m/z	Relative Intensity
55.05508	0.3
57.03418	0.9
67.01856	0.4
69.03416	0.3
70.54266	0.6
70.54623	0.4
71.04972	0.4
73.02926	0.4
75.04126	0.2
75.04483	2.6
79.05463	0.3
81.07040	0.7
82.28795	0.2
85.02886	1.0
86.54623	0.2
89.03887	0.3
92.43947	0.2
93.07055	0.5
95.08600	0.4
105.07014	0.4
107.08604	0.4
109.10140	0.2
113.10344	0.2
121.10085	0.3
131.04938	0.3
135.04427	1.1
135.11754	0.3
137.02333	0.5
139.03896	0.3
153.01843	4.7
161.02377	0.3
171.02800	0.3
178.02541	0.3
203.03348	0.4
219.17346	0.3
241.05057	0.4
242.05733	1.5
246.05528	0.3
258.05240	3.3
269.04477	0.7
270.05252	8.3
273.03842	1.0
274.04581	0.3
280.44986	0.2
285.04126	0.4
286.04767	5.5
287.05508	81.6
288.05859	1.3
298.04877	0.3
299.05515	0.4
301.03516	1.4
301.07028	11.1
302.04245	3.9
313.03439	0.9
315.05002	30.4
316.05725	3.8
317.06577	9.8
331.08127	100.0
332.08450	1.4
463.08493	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1238
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
57.55999	0.1
59.80342	0.1
70.83725	0.3
70.84067	0.1
75.30681	0.1
87.89175	0.2
95.62861	0.1
98.21431	0.1
101.74157	0.1
153.01888	0.5
214.77516	0.1
229.04900	0.3
257.04395	0.2
258.05261	12.8
286.04736	33.2
287.05484	2.9
297.79120	0.1
301.07074	100.0
302.07324	1.3
463.12503	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.05500	1.1
61.02921	1.6
65.03940	0.9
67.05494	3.1
69.03433	9.7
69.31284	0.8
70.06574	1.0
70.85105	2.4
70.85446	0.9
71.05006	1.4
73.02906	1.5
77.44326	0.8
79.05475	1.4
81.03410	2.5
81.07070	2.3
83.04985	2.1
85.02913	19.1
86.09691	0.9
87.04474	4.0
89.06030	2.7
91.03955	1.4
91.05478	3.9
93.07040	4.4
95.04977	5.2
95.08601	1.9
97.02900	7.1
97.06454	0.9
99.04461	2.6
105.07017	7.5
107.08595	3.5
109.02882	3.3
109.06533	4.8
109.10125	1.1
111.04436	3.0
113.05999	1.9
115.03934	10.8
116.09127	1.0
117.07001	1.9
119.04966	0.9
119.08601	9.5
121.02884	1.3
121.06496	5.0
121.10191	1.7
123.04408	1.5
123.08081	4.5
127.03933	9.9
129.06969	1.4
131.08568	3.8
133.04948	5.1
133.06500	1.1
133.10104	2.3
135.08069	10.0
137.09613	2.6
139.03908	3.7
141.06960	1.2
142.07762	1.1
143.08562	2.6
144.09264	0.9
145.04962	10.4
145.06107	1.0
145.06538	1.0
145.10138	4.4
147.04442	2.1
147.08058	5.6
147.11646	1.8
149.06020	1.0
149.09653	1.7
153.01871	1.3
153.07077	1.1
154.07626	1.1
155.08586	1.7
156.09381	0.9
157.10129	3.9
158.07292	1.7
159.08064	6.0
159.11697	3.7
161.09602	4.4
163.06026	1.5
163.07428	1.5
165.09126	5.2
169.10080	1.0
171.11723	2.0
172.08876	2.4
173.09610	3.4
173.13226	2.9
175.07564	8.9
175.11166	6.3
183.11751	1.3
185.09520	1.2
187.11165	6.4
189.09131	2.1
189.12746	1.2
193.08638	2.2
193.10176	1.5
194.07520	1.2
198.74928	0.9
199.11150	4.1
201.12784	5.1
203.10667	7.3
211.11150	4.6
217.12253	5.7
219.13786	2.4
223.07582	4.9
229.12207	4.6
235.13341	2.3
247.13322	24.0
259.08316	1.9
265.14365	100.0
277.09229	3.7
283.17548	2.8
287.05487	13.1
431.10181	0.8
433.44199	1.0
462.23074	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0872
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
56.83503	0.1
57.93517	0.1
62.63422	0.1
65.16013	0.1
67.01870	0.6
68.99776	0.3
70.71732	0.2
83.24233	0.1
89.03917	0.2
100.09212	0.1
110.66174	0.1
111.00838	0.1
117.03342	0.1
129.01772	0.1
135.04419	1.8
137.02362	0.5
153.01834	4.9
161.02356	0.5
171.02876	0.2
171.11363	0.1
179.03369	0.2
203.03371	0.2
213.05449	0.2
219.06580	0.1
220.99573	0.1
231.06444	0.1
241.04919	0.5
245.04379	0.2
259.06174	0.1
269.04419	0.5
275.56400	0.1
287.05502	100.0
288.05862	1.3
414.22678	0.1
463.08768	3.6
474.01291	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	461.3625
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
55.05513	19.9
57.07075	28.7
59.03448	2.5
61.29995	2.5
67.05514	14.5
67.50654	2.8
69.07069	46.0
69.07426	5.2
71.08624	27.4
71.14069	4.1
71.14415	5.6
79.05490	16.5
81.03403	3.4
81.07055	47.2
83.04949	4.1
83.08609	20.4
85.10175	14.8
91.05473	20.0
91.41430	2.7
91.66987	2.5
93.07028	21.1
95.04968	4.5
95.08610	40.7
97.06549	3.5
97.10176	16.0
105.07038	32.4
107.04967	30.7
107.08587	25.3
109.02864	8.6
109.06499	10.7
109.10164	22.8
111.11710	12.5
117.07001	8.8
119.08585	22.8
121.06508	9.9
121.10143	22.0
123.08045	5.2
123.11725	8.7
125.13285	4.3
126.98460	2.9
128.06235	4.3
129.06993	8.1
131.08600	17.5
133.06471	10.6
133.10117	22.0
135.11676	10.8
137.06033	4.2
137.13295	6.2
139.14877	2.9
143.08595	21.4
145.06503	4.6
145.10097	21.6
147.08061	7.6
147.11661	11.3
149.09740	2.9
149.13240	8.6
151.07596	4.3
155.08644	7.1
157.10124	10.6
159.08104	3.4
159.11635	18.0
161.09630	12.0
161.13239	10.7
163.14821	5.3
169.08644	6.1
169.10020	5.6
171.08086	9.2
171.11688	11.8
173.13248	11.4
175.11212	8.2
175.14790	5.2
183.11726	11.9
185.09567	3.7
185.13307	9.2
187.11143	3.8
187.14825	10.0
189.09123	18.6
189.12775	3.3
189.16389	4.8
191.10703	4.8
197.13309	6.6
199.14912	5.1
201.16391	4.1
207.10097	4.1
211.14867	5.4
215.17937	4.0
217.12270	5.6
225.16328	4.4
231.13890	6.6
239.14140	4.5
243.13841	4.8
243.17311	3.4
245.56024	2.9
247.13261	4.2
247.24167	3.5
257.15417	3.2
261.18506	3.0
271.16983	5.9
281.22375	3.7
285.18494	11.2
301.28876	13.3
341.32321	4.6
343.29977	14.7
365.32178	3.0
383.32980	8.3
385.30994	3.4
388.16208	3.5
397.34610	6.8
401.34222	13.9
403.18912	4.5
403.32028	10.9
407.33008	11.1
415.35614	5.0
418.21365	4.4
425.34149	72.7
432.19577	3.9
433.23740	8.3
443.35257	100.0
446.20697	4.9
461.23276	60.3
461.29559	6.4
461.35825	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	462.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
55.01867	2.6
56.87154	1.2
56.96558	1.4
57.03435	6.2
61.02928	8.9
69.03090	1.7
69.03435	28.1
69.59823	6.9
70.06593	1.8
71.04980	3.2
73.02917	9.0
74.09711	2.2
79.05499	1.2
81.03422	17.3
84.94318	1.0
85.02909	100.0
86.09697	3.0
87.04475	21.4
91.03951	6.3
91.05470	1.1
94.44632	1.0
95.04943	1.9
96.43926	1.0
97.02892	26.5
97.03512	1.3
97.98892	1.0
98.97530	1.2
99.04452	6.8
101.02364	1.3
103.03951	2.7
106.89275	1.0
109.02878	14.3
112.07637	1.8
115.03936	82.8
119.04940	1.3
123.04446	3.1
123.08066	3.2
124.07586	1.7
124.08424	1.6
127.03930	46.7
133.04967	35.2
139.03882	9.4
140.07059	1.8
145.04970	68.3
147.04420	3.6
163.06018	9.1
165.09120	4.1
166.09431	3.7
183.04323	1.4
187.06052	1.2
191.03027	1.4
201.05467	1.4
214.63493	1.1
217.07054	1.2
241.06989	2.5
257.03732	1.2
259.05759	1.7
259.08154	14.2
259.11111	6.0
266.04453	2.6
272.04541	1.4
277.09219	24.3
283.15356	2.1
285.85812	1.1
287.05499	3.0
299.05536	6.0
300.05832	16.4
317.06024	3.3
349.06851	1.6
445.09375	1.3
462.17255	1.5
463.09964	3.9
478.81805	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2899
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
52.15008	1.0
52.60026	0.9
53.03939	4.2
55.01873	4.9
55.05266	1.7
55.05513	20.6
57.03433	4.2
57.07063	1.2
65.03948	3.4
67.05506	35.9
69.03426	1.7
69.07074	13.4
70.04152	5.0
71.04997	2.8
72.00214	1.1
73.06538	1.1
77.03947	1.2
77.75862	1.2
79.05493	38.4
81.03419	25.0
81.07058	38.2
83.04973	7.3
83.08622	12.4
85.06534	1.9
91.05482	36.1
93.07044	33.6
95.04964	18.0
95.08604	14.7
97.06527	4.4
97.10173	8.8
103.05445	2.0
105.07030	24.5
107.04958	9.8
107.08588	17.1
109.06499	2.8
109.10159	4.7
111.08064	3.9
112.25092	1.0
115.05420	2.6
117.07022	12.1
119.04986	1.7
119.08582	15.8
121.06503	12.2
121.10136	10.4
123.08038	3.1
123.11708	2.0
125.09623	6.9
128.06213	2.7
129.06993	13.8
131.04971	2.2
131.08571	18.0
133.06471	6.1
133.10150	10.2
135.08075	4.0
135.11702	4.4
137.09657	1.2
138.20906	1.1
141.07011	2.5
142.07813	2.8
143.08566	8.7
145.06488	8.5
145.10135	6.4
147.08070	5.1
147.11667	5.4
149.09630	4.1
149.13280	8.8
155.08557	4.7
156.09326	1.3
157.06531	1.2
157.10127	8.7
159.08095	2.6
159.11714	6.1
161.09689	1.9
163.11195	3.6
165.12727	1.4
167.08656	2.4
169.10156	4.4
171.08058	1.9
171.11714	2.2
173.09657	2.3
175.11212	4.6
177.12790	4.0
179.08554	1.4
181.10141	2.4
183.08182	1.1
183.11703	2.8
185.09618	1.3
185.13286	3.8
187.11186	1.8
187.14961	1.7
189.09055	1.3
189.11246	2.0
189.16365	1.3
193.12257	8.5
195.11841	2.1
195.13844	4.0
197.13280	2.0
199.11221	1.5
199.14827	2.7
201.12730	1.4
203.14368	1.6
205.12244	1.3
207.13969	1.5
215.14372	1.9
217.15871	5.9
219.13838	1.1
225.12898	1.3
227.12714	2.6
231.13792	2.4
245.15419	1.3
249.14877	2.3
251.16557	1.7
257.15442	2.3
259.17059	1.2
271.16901	1.6
273.14868	1.5
278.06494	1.1
279.57916	1.1
313.17914	1.3
323.24094	1.7
341.24759	3.8
343.22638	2.0
351.23141	9.4
369.24280	18.4
370.24533	1.2
387.25293	11.1
399.25226	1.1
401.51700	1.3
405.26321	2.9
417.26535	3.4
425.27017	1.1
443.27972	25.2
461.29001	100.0
462.30045	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01860	4.0
55.05518	11.0
57.03447	4.7
62.00091	0.9
65.03924	1.8
66.35024	0.9
67.05513	31.0
69.03429	2.1
69.07080	8.8
69.40919	0.9
70.72995	2.0
71.04976	2.6
79.05073	1.8
79.05502	25.6
81.03427	37.6
81.06593	1.7
81.07065	32.9
83.04978	4.8
83.08632	13.0
85.06541	2.0
91.05486	23.0
93.06484	1.5
93.07048	24.4
95.04978	19.5
95.08607	12.0
97.06547	3.9
97.10182	5.9
98.21458	1.1
99.08145	1.2
105.07042	15.2
107.04964	5.7
107.08605	14.9
109.06516	3.0
109.10169	3.7
111.08083	4.2
115.05483	1.0
117.07024	8.1
118.60943	1.0
119.04953	1.6
119.08589	9.7
121.06522	6.4
121.10165	10.0
123.08059	2.1
125.09633	4.6
129.07014	9.9
131.04916	1.9
131.08588	13.1
133.06508	4.5
133.10130	6.9
135.08076	3.1
135.11717	3.2
137.09677	1.2
141.07031	1.6
142.07861	1.7
143.08586	5.6
145.06519	4.0
145.10138	3.8
147.08060	4.4
147.11717	3.2
149.09624	3.2
149.13272	11.0
155.08582	2.2
157.06587	1.4
157.10104	5.8
159.08078	1.5
159.11705	6.5
159.12846	1.2
161.09685	1.7
163.11180	2.2
169.10164	2.7
171.08064	1.5
171.11682	2.0
173.09724	1.5
173.13335	1.4
175.11201	3.9
177.12788	3.5
183.11624	1.7
185.13309	1.8
187.11211	1.3
189.09161	1.0
189.11212	2.3
193.12253	15.1
195.13832	3.2
197.13297	1.8
199.11366	1.3
199.14896	2.9
201.12752	1.2
205.12221	1.5
207.11757	1.2
209.13365	1.0
215.14388	1.2
217.15933	3.4
249.14957	3.8
257.15466	1.6
341.24875	2.6
343.22769	2.8
351.23206	6.6
361.23727	1.7
369.24332	12.7
387.25143	7.9
405.26474	1.5
407.25833	1.1
417.26364	5.7
443.27869	14.0
461.29047	100.0
462.29364	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1443
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.77138	0.6
53.03944	1.2
55.01873	0.9
55.05511	0.7
57.03436	0.7
61.02919	1.3
67.05508	1.6
69.03447	1.3
69.07068	1.1
69.91758	2.2
71.05011	0.7
73.02937	0.8
73.52447	0.5
79.05486	2.2
81.03423	1.3
81.07042	1.7
83.04990	0.7
85.02908	4.4
90.86002	0.6
93.07046	1.1
95.04977	0.9
95.08614	1.4
97.02866	1.8
97.06557	0.9
97.10160	0.8
98.21423	0.8
102.14674	0.7
107.04957	87.8
107.08595	1.1
108.05318	0.8
109.06515	0.9
119.08554	0.7
121.10130	0.9
125.06026	0.8
127.03934	0.7
133.10164	0.6
139.03957	0.7
145.04845	0.7
150.05487	1.2
153.01834	1.3
153.10068	0.6
156.15392	0.6
159.11693	0.9
192.04172	1.2
193.04965	38.4
195.17445	0.8
205.04973	0.7
205.22278	0.7
271.06003	3.6
271.38058	0.6
299.09140	100.0
300.09451	1.1
302.04214	0.7
303.04892	2.5
317.06537	5.8
461.18427	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1449
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.72255	0.2
52.84234	0.2
53.03953	0.6
55.01863	0.9
55.05507	1.0
55.50814	0.2
57.03436	0.4
61.02912	0.5
67.05511	2.0
69.03441	1.5
69.07076	0.5
69.47619	0.4
69.48017	1.7
71.04984	0.3
79.01855	0.7
79.05504	2.6
81.03430	3.0
81.07071	2.8
83.08624	0.6
85.02930	1.4
91.05489	3.5
93.03426	0.3
93.07050	1.7
94.45526	0.2
95.04958	0.7
95.08607	1.1
97.02893	1.0
97.06505	0.3
97.10166	0.5
102.04714	0.5
103.05464	0.4
105.07057	1.6
107.01343	1.6
107.04961	2.1
107.08601	1.1
109.02877	1.2
109.06546	0.4
109.10154	0.6
110.95604	0.3
115.05457	1.0
117.07014	0.9
119.08593	1.2
121.06514	3.4
121.10137	0.9
123.00804	0.8
123.04426	0.3
123.11744	0.4
125.02372	2.2
125.09660	0.6
127.03931	1.4
129.07004	0.8
130.04172	0.6
131.04921	1.0
131.08595	0.8
132.05722	0.4
133.06494	1.0
133.10139	0.8
135.04417	1.2
135.11705	0.3
139.03926	0.9
141.07013	0.4
143.08569	0.6
145.02876	3.1
145.06502	14.0
145.10107	0.5
146.07298	2.9
147.08058	2.5
147.11667	0.7
149.09604	0.3
151.07542	0.4
153.01848	21.0
155.08594	0.3
157.10088	0.5
163.03937	5.5
165.05557	0.5
165.09132	0.4
173.02380	2.3
173.06004	14.0
174.06743	0.8
181.63335	0.3
191.03412	24.9
192.03856	0.3
197.09689	0.3
199.07544	0.3
209.04480	13.1
213.14940	0.4
225.09190	0.8
225.46114	0.3
232.06021	0.5
245.08170	0.5
253.08614	0.7
273.99500	0.3
281.08221	0.5
281.17722	0.3
286.01474	0.3
299.09171	100.0
300.09613	1.4
317.06598	0.4
351.23270	0.5
369.24170	0.9
387.25064	1.1
443.27805	1.2
461.14694	2.3
461.28860	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2899
Annotation	Hyperielliptone HA
Peak:m/z	Relative Intensity
53.03947	3.8
55.01872	3.6
55.05515	17.4
55.40520	0.8
57.03444	5.0
65.03931	2.2
67.05509	34.0
69.03439	2.5
69.07072	9.6
70.57818	2.5
70.60337	0.9
71.04991	4.0
79.05499	29.2
79.85837	0.9
81.03422	36.4
81.07061	36.0
83.04984	5.2
83.08624	14.2
85.06542	2.4
91.04916	1.5
91.05486	25.7
93.07050	27.3
93.07639	1.5
95.04975	18.6
95.08616	12.8
97.06529	6.0
97.10171	5.3
99.08097	1.6
103.05448	1.1
105.07038	18.5
107.04958	7.9
107.08607	16.5
109.06518	3.1
109.10160	4.5
110.52988	1.0
111.08092	6.0
115.43726	1.0
117.07036	9.3
119.08597	10.5
121.06503	6.2
121.10149	10.3
123.08061	1.8
125.09605	4.9
128.06212	1.9
129.07016	11.0
131.08580	13.4
133.06517	5.3
133.10138	8.5
135.08070	2.8
135.11700	4.3
137.09625	1.2
141.07039	2.2
142.07782	1.8
143.08530	5.1
145.06488	6.3
145.10092	5.7
147.08051	5.1
147.11659	4.3
149.09642	3.9
149.13254	11.8
150.32414	1.0
155.08586	2.5
157.10161	7.3
159.08104	2.8
159.11697	7.2
161.09639	2.2
163.11177	1.2
165.12807	1.2
167.08669	1.5
169.10147	2.0
171.08047	1.6
171.11702	3.1
175.11212	6.4
177.12811	2.7
181.10133	2.0
183.11694	2.2
185.09631	1.7
185.13297	1.7
187.11177	1.1
189.11266	1.9
193.12256	12.1
195.11787	1.5
195.13800	2.2
197.13412	1.0
199.11197	1.5
199.14819	2.3
201.12773	1.8
215.14331	1.0
217.15973	3.2
227.12868	2.6
231.13797	1.7
233.15536	1.4
249.14883	3.2
257.15305	1.7
261.11279	1.3
271.16946	1.1
273.18448	1.2
323.24066	1.0
341.24887	1.4
343.22427	2.0
351.23184	6.0
369.24313	14.5
387.25330	8.2
405.26385	1.3
417.26126	5.4
425.26999	1.0
443.27948	17.5
461.29025	100.0
462.29111	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1084
Annotation	Apigenin 7-(6''-methylglucuronide)
Peak:m/z	Relative Intensity
52.06166	0.1
52.56189	0.1
53.03943	0.2
54.40833	0.1
67.01865	0.4
68.99817	0.3
69.03432	0.2
70.81902	0.2
79.05483	0.3
81.03419	0.3
81.07052	0.1
85.02896	0.3
86.81389	0.1
91.05480	0.4
93.07006	0.2
95.04950	0.1
97.02893	0.1
107.04965	11.2
109.02943	0.2
119.04965	1.8
121.02891	0.7
127.03915	0.1
133.10126	0.1
135.73445	0.1
139.03931	0.1
145.02789	0.6
147.04439	0.2
151.03975	0.1
153.01849	4.5
163.03940	0.3
165.01846	0.3
170.81360	0.1
171.02907	0.3
189.05464	0.3
193.05054	0.2
203.07062	0.3
205.04996	2.2
206.05814	0.1
211.03958	0.1
214.61162	0.1
217.04950	0.4
225.05533	0.3
226.28864	0.1
229.05013	0.2
231.06479	0.7
235.06013	1.7
243.06453	0.3
244.07112	0.1
245.08118	0.3
247.05925	0.1
259.05975	0.3
271.06036	100.0
272.06335	1.1
282.05057	0.1
299.09064	0.6
301.07242	0.2
311.09161	4.2
323.09442	0.2
337.10709	0.4
341.10202	4.1
351.12357	0.4
365.10239	2.6
377.10220	0.6
378.39667	0.1
379.11673	0.2
389.10382	0.6
395.11298	1.6
407.11200	1.1
425.12347	1.4
443.13199	0.8
461.09998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1084
Annotation	Apigenin 7-(6''-methylglucuronide)
Peak:m/z	Relative Intensity
55.05504	0.4
67.01862	0.4
67.05512	0.7
68.05833	0.1
68.99377	0.1
68.99781	0.3
69.03423	0.2
69.07073	0.4
69.29827	0.5
69.30251	0.6
71.04969	0.2
71.67525	0.1
72.44334	0.1
73.02917	1.7
78.79541	0.1
79.05478	0.4
80.05798	0.1
81.03416	0.7
81.07058	0.8
82.03749	0.3
82.07387	0.2
83.04971	0.2
83.08614	0.2
84.08147	0.2
85.02891	0.4
91.05470	1.0
93.07046	0.7
95.04980	0.2
95.08601	0.6
97.02878	0.3
97.06538	0.2
98.21530	0.3
105.07035	0.5
107.04965	0.2
107.08589	0.3
109.10151	0.4
117.07028	0.2
119.04945	1.6
119.08574	0.3
119.18034	0.1
121.02830	0.6
121.06505	0.2
121.10146	0.4
123.08084	0.2
125.09618	0.2
127.03946	0.2
129.06992	0.2
131.08528	0.2
133.10164	0.3
139.03883	0.3
143.08516	0.2
145.02863	0.6
145.10173	0.2
147.04433	0.2
147.11668	0.4
149.09586	0.2
151.07471	0.1
153.01843	5.1
163.03868	0.7
165.09160	0.3
165.12811	0.2
171.02921	0.4
193.12354	0.2
203.07132	0.2
218.72392	0.1
225.05597	0.3
229.04956	0.8
243.06425	0.2
246.05211	0.2
257.04456	0.3
271.06021	100.0
272.06381	1.2
273.03888	0.3
274.04688	0.6
285.04010	0.5
297.07550	0.4
302.04205	1.5
317.06577	12.9
369.23935	0.2
460.27444	0.4
461.10797	1.8
461.16840	0.2
461.20163	0.2
461.28320	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	0.5
67.05496	0.6
69.03426	2.0
69.23727	5.0
74.09727	0.9
83.04990	0.9
85.02915	4.0
91.03979	0.5
91.05473	0.8
93.07045	0.7
95.04963	0.8
95.08607	3.7
97.02876	1.9
97.06527	2.2
98.20776	0.9
105.07005	0.6
107.04974	0.9
109.06506	0.7
119.08626	0.7
121.06440	0.6
123.08083	54.0
127.03895	0.9
131.08582	0.9
135.08118	0.6
137.05983	0.7
139.03905	2.1
139.07564	1.0
144.21722	0.6
147.04408	1.6
147.08089	1.2
154.21451	0.5
157.10091	0.6
159.08081	1.2
159.11707	0.7
161.09613	0.9
163.07526	1.0
165.09129	100.0
165.85863	0.5
166.09357	0.7
167.07141	0.7
171.11690	1.2
175.11214	1.2
184.08754	0.7
187.07574	0.7
187.11238	1.0
199.11172	1.8
203.10684	1.0
215.10762	1.2
227.10735	1.2
233.11836	2.8
245.11775	1.2
249.49086	0.5
263.12820	29.5
281.13852	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	19.0
57.07071	6.5
59.04990	13.9
65.03936	9.5
67.05492	24.4
69.03427	33.2
69.07057	26.2
71.54834	8.8
73.02924	8.1
79.05490	25.9
80.69486	7.2
81.07061	66.6
83.04974	22.9
83.08599	9.8
85.02887	12.8
91.05479	29.6
93.07052	50.5
95.04984	39.8
95.08606	49.3
97.06531	16.5
99.04467	8.9
105.07034	61.7
107.08576	55.9
109.06480	10.8
109.10133	22.5
111.08038	11.1
117.07012	14.6
119.08598	62.5
121.06512	21.4
121.10155	60.1
123.04476	6.8
123.08070	20.9
123.11755	7.5
124.41923	7.4
131.08574	28.8
133.10126	38.1
135.08023	16.7
135.11674	16.4
137.09622	8.9
139.03986	8.9
139.07500	9.6
145.10123	41.8
147.04414	7.8
147.11678	23.2
149.09601	8.4
149.13242	24.7
153.01836	13.9
157.10172	8.1
158.79045	6.6
159.11676	32.9
161.13292	11.1
163.11182	12.3
173.09653	23.6
177.12698	15.7
177.16359	10.7
187.14857	47.2
189.12773	8.6
197.13277	17.1
205.15919	26.1
215.14258	36.4
233.15367	47.7
246.14961	18.0
271.06229	7.3
317.06418	17.2
407.20679	100.0
460.26395	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	459.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84076	0.5
53.03947	4.2
55.01663	0.5
55.01874	4.8
55.05512	16.7
57.03441	3.4
65.03938	1.4
67.05507	18.5
69.03429	2.2
69.07072	3.7
69.71272	0.6
70.98437	0.5
70.98779	0.8
71.01346	0.5
71.04985	1.5
72.06583	0.5
79.05491	22.8
79.62007	0.4
81.03419	50.2
81.06583	1.0
81.07057	18.4
83.04974	4.0
83.08150	1.1
83.08620	14.5
85.06545	1.1
91.05482	19.7
93.06484	0.7
93.07047	11.2
93.22829	0.5
95.04964	17.0
95.08612	6.9
97.02876	1.3
97.06550	2.5
97.10173	7.9
99.08108	0.7
103.05482	0.7
105.07034	15.7
107.04970	9.4
107.08599	8.9
107.21239	0.5
109.06541	2.8
109.10154	3.9
110.04384	0.5
111.04453	0.8
111.08071	4.8
113.06009	0.5
115.05460	1.5
117.07023	6.8
118.54252	0.4
119.04947	1.6
119.07808	0.9
119.08596	11.3
121.06501	7.5
121.10146	5.0
123.04436	1.5
123.08060	3.2
125.09640	6.2
128.06216	1.8
129.07010	10.4
131.04922	3.2
131.08560	10.6
133.06514	4.0
133.10136	4.9
135.04410	0.9
135.08057	2.8
135.11679	1.0
137.05937	0.6
137.09657	1.0
137.13536	0.5
141.07004	2.3
142.07770	2.3
143.08568	4.5
144.05707	1.6
145.06485	14.7
145.10094	4.2
147.04396	0.9
147.08051	4.3
147.11685	5.4
149.09631	3.6
151.07463	0.5
151.11162	0.7
153.06987	0.5
153.09113	2.2
155.08537	2.8
157.06500	4.1
157.10114	8.4
158.07411	0.5
159.08051	3.9
159.11690	1.5
161.05998	2.2
161.09615	1.2
163.11223	1.4
165.09134	1.0
165.12773	1.4
167.08635	1.5
169.06497	2.1
169.10147	2.1
171.08037	3.3
171.10262	1.1
171.11711	2.5
173.09650	2.2
173.13226	0.8
175.07507	0.6
175.11214	6.2
177.12737	0.7
181.06474	0.7
181.10167	1.2
183.08075	1.7
183.11644	1.2
185.09634	2.1
185.13254	1.5
187.11238	0.9
187.14764	1.4
189.09537	0.6
189.11215	2.8
189.12805	1.3
193.10466	0.9
193.12244	28.1
195.08015	1.0
195.11737	2.4
196.66415	0.5
197.09592	1.1
197.13324	2.3
199.11200	1.8
201.12814	1.1
203.14264	0.9
205.12241	1.3
205.15851	0.7
207.11716	0.6
209.09563	0.6
209.13316	0.9
211.11238	1.0
211.14871	0.8
213.12749	1.6
215.14351	2.2
221.52989	0.5
223.11185	0.9
225.12727	1.6
227.14366	2.1
229.48970	0.5
231.13785	1.3
233.15434	2.5
235.11116	0.7
235.14998	0.5
237.12741	2.2
241.16107	0.5
243.13940	0.9
245.15390	0.7
249.14827	3.6
255.13824	4.2
257.15350	1.2
259.13400	0.8
271.16934	0.8
271.63162	0.5
273.14865	10.4
275.16492	0.7
281.15295	0.7
283.16959	0.6
287.16476	1.4
301.17865	0.7
311.16415	0.5
321.22086	0.9
323.20172	0.6
331.20572	0.8
339.23187	3.9
341.21210	1.0
349.21600	9.3
357.24240	4.3
367.22699	25.7
377.24722	0.7
385.23770	20.8
403.24823	5.2
405.24152	1.3
409.50723	0.5
421.82516	0.5
423.25299	0.9
441.26379	6.3
459.27423	100.0
460.27670	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01875	5.2
55.05272	1.0
55.05515	15.1
57.03445	3.4
65.03928	1.1
67.05508	20.9
69.03424	3.1
69.07070	4.2
70.81407	1.4
71.04990	2.2
79.05493	20.0
79.86646	0.6
81.03422	48.7
81.07059	19.3
83.05001	3.3
83.08621	13.5
85.02928	0.8
85.06544	1.7
85.44944	0.6
91.05480	21.0
93.07043	12.9
95.04970	17.3
95.08613	8.1
97.02895	1.6
97.06541	1.5
97.10175	8.1
103.05502	0.9
105.07037	17.0
107.04961	9.4
107.08598	7.7
109.06547	3.9
109.10160	5.3
111.04431	1.3
111.08086	5.4
115.05473	2.1
117.07028	5.4
119.04948	1.8
119.08591	12.2
119.69228	0.6
121.06500	8.0
121.10155	5.1
123.04381	1.5
123.08089	3.1
123.11699	0.9
125.05978	0.8
125.09648	6.4
128.06204	2.0
129.07002	10.0
131.04922	2.9
131.08569	11.6
133.06500	6.1
133.10130	5.7
135.04362	0.7
135.08054	3.1
135.11737	1.9
137.05952	0.7
137.09648	1.4
141.07013	2.1
142.07761	2.2
143.08536	3.5
144.05714	1.0
145.06477	15.6
145.10103	4.4
147.04434	1.2
147.08044	6.0
147.11674	5.3
149.09618	3.0
151.07564	0.9
153.09142	1.4
155.08568	4.4
157.06531	3.3
157.10138	8.6
159.08073	3.1
159.11780	1.0
161.06004	2.0
161.09593	1.5
163.11162	1.5
165.07005	0.7
165.09137	1.2
165.12825	1.3
167.08556	1.9
169.06535	1.4
169.10150	2.2
171.08110	2.9
171.10332	1.1
171.11749	2.2
173.09645	1.6
173.13226	1.4
175.07483	0.6
175.11177	6.4
177.12741	0.9
181.10161	1.9
183.08069	1.6
183.11694	1.0
185.09651	1.8
185.13281	2.1
187.11185	1.3
189.11218	2.4
189.12796	1.2
193.10475	1.1
193.12250	29.2
195.08144	1.5
195.11703	3.9
197.09688	1.3
197.13254	1.9
199.11185	1.5
201.12637	1.0
203.14375	0.7
205.12309	0.8
209.13338	1.3
211.11253	1.6
213.12805	1.8
215.10666	0.7
215.14333	2.2
217.12276	0.7
223.11172	1.3
226.33717	0.6
227.14339	1.9
231.13835	1.6
233.15355	2.0
235.11179	0.9
235.14746	0.8
237.12787	2.7
239.14333	0.8
243.13838	0.8
247.13245	0.9
249.14832	3.6
255.13731	2.9
257.15424	0.9
259.16971	0.8
269.15439	1.0
271.17029	1.0
273.14828	8.0
275.16443	0.9
281.15506	0.8
283.16995	1.2
287.16296	1.5
311.16455	0.6
321.22067	0.9
331.20297	0.8
339.23105	3.3
341.21115	1.0
349.21698	8.9
357.24405	3.5
367.22693	23.2
385.23730	21.6
403.24805	6.1
405.24289	2.0
415.24954	1.1
423.25104	1.0
439.75125	0.6
441.26395	6.1
459.27435	100.0
460.27872	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.8
55.01877	6.0
55.05515	2.2
55.31150	0.6
56.51223	0.7
57.03447	5.5
57.07080	5.5
61.02930	4.7
67.05515	11.5
68.99792	3.7
69.03441	15.7
71.01408	0.8
71.05000	3.6
71.43093	1.5
73.02929	5.2
75.71635	0.8
81.03429	21.3
81.07069	3.3
83.05004	0.8
85.02916	40.8
85.06555	25.6
87.00843	20.5
91.03951	1.0
91.05490	1.4
92.03770	0.9
93.07048	1.8
95.08618	1.8
97.02907	19.2
99.04481	7.1
99.08128	1.0
103.03957	2.1
105.01880	11.3
105.07057	1.4
107.04987	1.1
107.08633	1.1
109.02895	15.6
109.06516	6.7
109.10197	0.9
117.01871	3.4
117.07014	1.0
120.30680	0.8
121.06479	1.6
123.04449	7.9
123.08096	3.9
124.88634	0.8
125.09662	1.4
126.58585	0.9
127.02969	1.8
127.03928	29.9
127.07568	11.2
129.01865	3.1
129.07091	0.8
133.06430	1.3
135.04440	1.4
135.13441	1.0
137.05969	1.6
137.09663	1.1
139.03911	2.5
145.04974	16.0
147.02904	2.9
147.04437	6.9
147.08055	2.5
149.06006	1.1
151.03902	4.8
151.07610	2.3
153.05434	1.2
155.03404	2.2
157.10219	0.8
159.02905	14.4
161.05940	1.4
161.09607	1.5
165.05490	1.6
165.09068	4.7
169.08585	1.7
175.07571	3.5
177.05490	1.0
187.09659	0.9
189.09120	3.7
191.03362	0.9
191.07013	1.4
193.04976	2.4
193.08630	32.2
205.08586	2.5
211.09677	100.0
211.16945	3.0
217.05095	4.4
217.08556	7.7
229.08620	1.3
231.05038	3.5
231.10188	1.9
235.06027	2.9
235.09660	21.6
245.04430	2.0
247.09673	1.1
253.10754	17.7
255.10150	1.5
259.09714	3.0
268.34164	0.8
273.11237	1.7
277.10770	15.0
283.09744	2.6
297.07422	1.4
301.10687	10.1
319.11819	12.7
405.12000	1.7
459.27560	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01865	2.8
57.03444	4.9
61.02934	8.7
69.03084	1.8
69.03432	26.1
69.07068	6.2
69.67368	5.9
71.04998	1.1
73.02914	7.9
81.03423	18.4
83.04968	0.9
85.02908	100.0
87.04472	22.3
89.06055	4.9
91.03965	8.2
91.05484	2.3
97.02895	32.0
99.04441	5.9
103.03931	2.3
109.02881	13.1
111.11726	1.7
115.03934	85.6
119.04936	5.6
127.03920	49.2
133.04973	35.4
133.05998	1.7
133.08612	2.9
145.04965	65.4
147.03233	1.8
147.04414	36.5
151.09671	5.5
154.25484	1.0
163.06053	9.2
165.05437	1.4
175.06053	1.0
187.05988	1.1
189.59669	1.0
199.96092	1.0
241.07172	2.4
250.09009	2.1
259.08160	17.3
261.20697	5.1
277.09204	22.3
279.21658	2.1
405.12042	1.1
415.41620	1.1
423.12778	2.5
458.24493	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	12.4
57.07060	8.0
59.55064	3.5
63.02104	3.7
67.05508	21.9
69.07070	41.0
79.05487	32.6
81.07052	39.1
83.08623	5.3
85.06549	4.1
91.05480	13.5
93.07047	27.7
95.08613	100.0
97.10155	10.6
105.07009	13.5
107.08595	86.6
109.06533	5.6
109.10156	78.0
111.08089	5.8
111.11712	14.5
111.67997	3.3
119.08585	23.8
121.10131	38.2
123.08076	8.7
123.11706	30.3
123.35327	3.3
125.09621	16.5
131.08553	6.9
133.10126	18.5
135.11699	28.2
137.09630	5.4
137.13246	12.3
145.10146	4.3
146.21375	3.7
147.11646	10.5
149.13254	15.1
157.23717	3.5
159.11725	6.2
159.73405	3.4
161.13242	13.6
163.14819	41.0
173.13167	5.9
175.14799	10.7
177.12764	3.4
177.16464	5.2
187.14769	8.3
189.16376	15.1
191.14244	7.3
191.17935	10.0
192.09692	3.6
200.20024	5.4
201.16411	8.7
201.20575	6.2
203.18011	7.0
205.15849	9.1
205.19516	29.9
212.72246	3.8
219.17368	5.7
221.15475	3.9
230.85713	3.7
273.25720	11.5
283.26343	5.8
284.26660	5.2
287.27383	7.3
297.25760	13.3
315.26804	34.1
421.34607	6.4
439.35898	23.2
457.36429	36.9
457.44318	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	457.1478
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
55.01898	0.6
55.05505	0.7
56.96563	3.0
59.75849	0.7
67.05510	1.4
68.07429	0.6
69.03439	1.1
69.07064	1.1
69.89218	0.7
70.75215	0.6
71.53111	0.9
74.45940	0.8
74.46385	0.7
81.07051	2.0
83.05003	0.8
85.06574	0.9
86.06078	0.9
91.05487	0.8
93.07064	1.8
95.04963	0.8
95.08608	1.8
97.06548	1.0
98.49403	0.7
98.97562	3.4
105.07037	1.4
107.08588	0.7
108.81308	0.6
110.97564	1.5
112.27754	0.7
115.00737	1.2
116.98592	0.8
119.08609	1.7
121.10163	0.8
123.04443	0.8
125.05952	1.0
127.03922	0.8
128.98604	0.8
131.08635	0.9
139.04004	0.8
145.10175	1.4
153.01855	5.5
159.11766	0.7
165.09120	1.1
170.99625	0.7
179.03433	0.9
219.01830	2.8
227.09622	2.7
237.02800	2.6
245.10713	1.6
269.10541	1.2
281.10715	0.9
281.65607	0.7
287.05533	1.6
287.11612	0.9
371.13647	5.5
389.10211	1.1
389.14911	10.1
413.15512	8.9
431.15894	4.0
457.14767	100.0
458.15134	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	457.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01861	3.2
55.05505	2.9
57.03439	2.4
57.07065	1.4
59.05000	1.2
61.02927	2.0
67.05494	3.4
68.99792	2.9
69.03439	47.9
69.07072	4.8
70.08412	3.7
70.08776	1.4
70.57138	1.0
71.04992	2.3
73.02930	2.2
79.01865	1.7
79.05501	4.7
81.03426	5.5
81.07059	7.6
83.04996	5.9
83.08611	1.1
85.02913	19.3
85.06541	2.4
87.00840	7.2
91.05499	4.5
93.07044	6.2
95.04962	1.2
95.08624	10.4
97.02918	8.6
97.06518	3.9
99.04461	2.7
105.01890	5.8
105.07048	5.2
107.08610	16.5
109.02911	6.2
109.06541	5.9
109.10211	4.6
111.08112	5.1
112.70304	0.8
117.01933	1.1
117.07063	1.5
119.08582	6.1
121.06512	4.0
121.10155	12.5
123.08066	3.1
123.11715	6.8
125.09651	17.6
127.03948	12.2
130.53940	0.9
131.08603	6.4
133.10156	5.6
135.08066	13.3
135.11699	4.5
137.09665	2.1
139.03937	10.0
139.71243	0.9
140.64880	0.8
143.03477	1.2
143.08580	2.8
145.04991	5.0
145.10155	4.5
147.04436	1.2
147.08067	1.2
147.11694	7.3
149.09628	8.3
149.13306	5.0
151.11195	1.5
153.01839	21.2
153.03003	1.8
153.09152	7.8
158.10930	4.2
159.02957	2.5
161.09592	1.8
163.11194	4.2
163.14815	5.6
165.09174	5.2
165.12755	3.4
173.13292	23.2
176.11937	1.9
179.03488	4.4
191.14331	96.7
192.14554	1.1
199.03914	2.1
201.05553	1.4
206.20845	0.9
209.15395	100.0
221.35791	0.9
231.05000	1.2
235.43460	1.0
245.04509	2.3
258.94565	1.0
265.17963	1.4
277.81137	1.0
287.05441	11.8
289.07089	3.0
303.04901	2.0
305.06558	1.1
331.04581	2.0
425.07425	1.2
457.19659	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	456.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01879	3.2
57.03440	6.0
59.04996	1.4
61.02938	9.8
69.03438	30.3
69.07096	1.8
69.40826	1.6
69.73402	6.2
70.06585	4.3
71.05000	3.1
73.02924	6.9
81.03433	18.7
81.07074	1.5
84.08151	1.4
85.02911	99.3
87.04479	30.5
91.03971	5.9
91.05478	2.0
97.02910	28.3
99.04479	8.5
101.02369	1.8
103.03972	3.5
109.02904	14.2
109.10155	2.8
115.03943	100.0
117.09126	3.2
121.06511	3.4
127.03932	55.2
127.07532	1.8
127.11200	3.6
130.04671	1.7
133.04977	39.9
145.04971	65.9
145.12204	2.0
153.01799	2.1
163.06049	14.3
163.09715	1.7
180.10193	2.6
241.07162	2.0
259.08167	21.2
277.09195	38.5
316.49387	1.6
403.16003	2.2
406.51181	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09471	1.2
68.76672	1.2
68.99798	10.0
69.03420	1.5
70.74140	1.3
71.52852	1.8
79.01856	5.3
82.06596	2.2
90.51973	1.2
97.02856	1.7
107.01345	1.3
111.00794	3.9
121.02908	2.6
123.04433	1.9
125.02359	2.2
127.03931	7.8
139.03886	4.4
143.03383	9.6
147.04398	5.3
151.03842	2.3
153.01837	100.0
153.02916	5.9
163.03976	3.0
171.04433	7.4
173.05952	3.5
177.05511	1.6
179.03398	17.3
185.05989	2.4
189.05458	2.2
199.03918	15.4
201.05482	6.9
203.03436	4.2
213.05508	8.2
217.05025	8.6
219.06538	6.1
227.03429	4.9
234.73663	1.2
241.05017	5.4
245.04515	13.5
257.04529	1.5
259.05988	2.2
269.04437	5.0
287.05511	81.5
303.04996	9.5
305.06467	4.6
325.07050	1.9
331.04453	11.3
337.07217	1.8
355.31461	1.4
371.20932	1.6
457.07016	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28204	0.6
66.56049	0.8
70.48064	2.3
77.27309	0.7
85.77084	0.7
98.20840	0.8
173.03297	0.7
375.90891	0.7
376.65204	0.9
422.29547	0.9
444.98483	0.7
455.11679	100.0
456.12106	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2255
Annotation	Incaspitolide E
Peak:m/z	Relative Intensity
57.03424	0.4
69.03427	0.4
69.07070	0.9
70.06606	0.6
70.67774	0.3
71.53832	0.3
71.54235	0.5
79.37048	0.3
81.07052	0.4
85.02913	0.5
86.09706	0.4
91.05504	0.4
93.07043	0.4
97.19381	0.4
107.04980	1.4
119.08605	0.3
135.08168	0.4
147.04501	0.6
165.08914	0.4
177.86757	0.3
180.53824	0.3
181.83527	0.3
192.27609	0.3
203.05298	3.7
205.12100	0.7
216.75223	0.3
223.13065	3.9
225.14008	0.3
249.41490	0.4
258.47284	0.3
260.71869	0.3
262.50729	0.3
275.16208	6.9
277.17767	26.5
278.18109	0.4
293.17300	0.6
304.22845	0.3
313.12613	1.3
385.18369	17.8
447.30692	0.3
455.22583	100.0
456.22842	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	455.3521
Annotation	Krukovine A
Peak:m/z	Relative Intensity
52.36164	1.7
55.05497	3.6
57.07071	2.9
67.05506	4.9
67.55788	1.6
69.07056	6.0
69.45377	3.1
69.45788	8.6
79.05486	4.3
81.07062	9.9
83.08610	3.6
85.36575	1.4
91.05473	2.5
93.07065	9.4
95.04984	1.6
95.08607	13.7
97.06506	1.8
97.10193	2.1
99.08125	1.5
105.07021	6.1
105.14158	1.7
107.08591	13.7
109.06521	2.3
109.10135	9.7
119.08595	16.5
121.10148	7.6
123.08051	2.3
123.11706	5.6
125.06001	5.5
125.09642	1.5
131.08571	3.9
133.10123	15.3
135.11694	15.1
139.07541	3.4
143.08559	1.8
145.10144	7.0
147.11719	10.2
149.09685	3.3
149.13280	3.9
157.10049	2.2
159.08034	1.9
159.11714	3.8
161.13271	2.3
163.14857	3.3
170.09471	1.5
171.11673	2.2
172.32320	1.7
173.09598	3.6
175.11223	5.7
175.14874	2.1
177.09138	2.6
187.11203	6.6
187.14853	3.8
189.14749	3.3
189.16368	28.7
197.13275	2.0
201.16162	1.4
205.15926	4.1
207.17430	60.9
211.14926	2.2
213.12480	1.6
213.16403	2.7
215.14270	11.6
229.15877	56.2
231.17409	8.3
231.80399	1.5
233.15331	22.9
243.17349	2.4
247.16927	18.0
249.18506	1.8
257.19095	1.9
283.20535	4.2
297.21924	1.9
307.73126	1.5
419.33084	4.2
437.34219	25.4
455.35245	100.0
459.13654	1.5
481.02615	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	455.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35413	1.4
56.96569	92.0
61.02919	3.4
65.03941	3.5
69.03436	4.8
69.25168	13.4
69.25586	3.1
70.06583	2.6
70.98130	2.1
71.95317	1.9
74.97613	3.9
81.03438	2.6
82.06586	6.0
84.96047	25.6
85.02921	8.5
85.47306	1.5
89.03952	2.3
91.05488	15.2
94.06569	1.8
95.04987	2.0
97.02895	5.5
98.21543	2.9
98.96950	2.8
98.97591	53.9
98.98204	3.5
99.00854	2.4
100.07656	1.9
102.97069	3.1
110.97576	21.0
111.04454	2.0
112.99117	3.6
114.97018	2.9
116.98624	24.6
117.03410	2.6
119.01862	2.2
119.04953	33.5
120.05313	2.9
122.05964	2.1
124.99154	7.2
127.03937	3.8
128.98625	15.6
131.00204	4.4
132.98141	3.0
134.99654	5.3
135.04425	4.8
139.03899	5.7
140.98627	2.3
143.00180	15.3
144.98154	3.6
145.02861	3.3
146.99713	9.2
147.04419	100.0
148.04797	6.0
149.01288	4.2
150.05515	15.8
150.99126	3.2
151.03896	2.6
152.98558	2.8
156.98100	4.1
158.99699	10.6
161.01251	11.9
161.02802	1.8
162.99141	3.7
163.03931	18.2
164.04245	3.7
165.00691	2.0
168.03391	2.1
169.01776	2.4
170.99684	4.1
172.94414	2.6
173.01324	3.2
174.04456	3.1
174.99208	8.5
176.93767	1.6
177.00749	13.0
177.02179	2.7
177.04471	1.6
179.00208	1.8
181.01802	2.0
182.99678	2.3
184.97542	1.9
185.01248	3.7
186.04417	7.4
186.99141	5.7
187.02875	2.5
189.00717	7.4
190.98636	3.0
191.00221	4.8
193.00203	6.3
193.01797	3.3
194.03511	2.2
195.03343	7.7
197.01259	2.7
201.00693	6.2
202.98553	3.1
203.00232	8.8
203.02164	3.3
204.05487	3.7
205.00111	4.2
205.01852	3.7
209.01289	3.5
212.08304	2.0
213.00703	2.1
213.04378	7.2
219.01839	10.3
220.99406	2.7
221.01289	28.0
223.02834	6.1
231.01775	4.1
235.02861	5.5
237.00668	4.1
237.02882	11.0
239.02306	81.3
240.02460	4.5
245.01364	2.8
248.99286	5.7
249.02895	2.9
251.04352	4.1
252.03986	4.7
253.03845	8.0
257.01312	2.6
257.03378	33.4
261.02847	5.4
262.03912	2.5
263.02283	9.5
267.00287	9.4
267.03925	3.1
269.05414	3.4
271.05057	2.1
275.02554	2.4
277.00217	2.7
278.03433	1.8
279.01654	19.8
281.03348	11.6
285.01089	2.5
291.00363	2.6
291.07578	1.8
295.01456	1.9
297.02716	8.8
300.03870	2.3
309.08398	2.5
311.06763	2.7
314.05225	2.1
319.01224	6.1
321.02414	9.4
323.06372	2.3
339.03693	2.4
349.00931	5.7
351.03778	3.6
358.08295	3.0
358.58179	1.8
367.02203	1.8
371.13818	2.0
377.01846	41.4
379.13464	1.8
395.02737	31.6
395.07935	2.8
413.03485	12.5
418.04681	2.3
430.14944	2.2
455.11679	11.7
455.20135	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	455.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01874	0.7
56.36508	0.7
56.96559	1.8
59.90152	0.8
70.19956	2.9
72.39887	0.7
85.02908	1.2
98.97612	4.3
101.00973	0.9
110.97577	2.2
116.98589	0.9
119.04974	1.2
127.00658	0.8
127.03864	1.0
128.98608	1.5
131.00276	1.0
138.70059	0.7
143.00162	1.1
143.01860	1.3
145.01761	0.9
146.99728	1.0
147.04433	4.2
155.01906	1.1
158.99683	1.5
161.02966	1.5
163.02779	1.3
163.03975	1.2
166.00320	0.8
166.99484	0.8
168.00150	1.1
170.99644	1.5
177.00732	1.7
185.02948	1.1
187.99992	1.1
198.01183	0.9
201.00758	1.9
219.01772	1.7
224.01004	1.2
233.01523	2.0
237.02872	1.9
239.02281	1.0
240.02190	1.6
245.05109	2.1
246.05254	1.0
247.04733	1.1
249.02797	0.9
254.02129	1.3
261.03030	0.8
269.05423	1.1
307.08975	1.1
321.04849	0.9
321.10379	2.1
447.97723	0.9
455.11652	100.0
456.11981	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29527	0.2
52.33142	0.2
53.03928	0.3
65.03941	1.8
67.05507	0.4
69.03432	0.4
69.51450	1.7
71.05005	0.6
79.05501	0.4
81.07066	2.2
82.07391	0.7
83.05007	1.3
85.02913	0.8
91.05492	14.2
92.05828	0.3
93.03414	0.3
93.07043	0.5
95.04999	0.3
95.08618	0.3
105.07005	0.5
107.08589	0.3
109.06543	0.3
109.10159	0.4
111.04472	1.9
115.03913	0.4
119.04954	29.7
121.02870	0.6
121.10148	0.8
122.06069	0.3
123.04445	1.0
123.11758	0.3
127.03913	0.3
129.05473	1.0
132.14417	0.3
133.10118	0.7
136.07617	2.4
139.03923	1.7
143.10707	0.9
147.04424	100.0
148.04768	0.8
152.11520	0.4
157.04974	2.2
164.07080	2.5
169.12271	1.4
170.12546	1.4
175.06035	1.8
177.95558	0.3
184.07845	0.2
189.16541	0.3
210.66296	0.2
255.19662	0.3
278.10300	1.0
289.08823	0.3
296.11276	1.3
303.08612	0.5
321.09555	0.5
341.62970	0.3
370.44528	0.3
414.95285	0.3
453.11664	1.8
453.20023	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.7
65.29839	0.3
67.05495	0.7
67.46928	0.3
67.65409	0.3
69.03432	0.5
70.06577	0.4
71.04964	0.3
71.54010	0.4
73.50306	0.2
75.02325	0.3
79.01646	0.2
81.07044	1.2
81.92387	0.2
82.07383	0.3
83.04992	1.3
85.02889	0.6
85.06550	0.5
85.91213	0.3
88.77672	0.3
91.05483	14.8
93.03394	0.5
93.07021	0.5
95.04945	0.4
95.08614	0.4
105.06988	0.4
107.08551	0.3
111.04436	1.8
115.03954	0.8
119.04945	30.2
120.05261	0.3
121.02879	0.4
123.04477	0.3
129.05478	1.0
138.09132	0.5
139.03909	1.9
147.04411	100.0
148.04779	0.9
157.04977	1.8
163.03902	0.3
166.08719	0.4
167.07048	0.3
169.12332	0.3
169.15842	0.3
169.56360	0.3
170.12543	0.3
175.06020	1.6
202.51102	0.3
203.79800	0.2
217.06931	0.3
244.95294	0.3
252.46306	0.3
258.80530	0.3
261.12878	0.3
289.09143	0.4
291.17035	0.7
303.08685	0.8
321.09525	0.3
435.18109	0.4
442.66733	0.3
453.11148	0.4
453.20853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.293
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05503	2.8
57.03419	2.9
57.06798	0.8
57.07079	19.0
62.06092	22.5
67.05513	3.6
69.07057	3.2
71.08633	14.9
79.05487	0.8
81.07063	6.2
83.08620	4.4
85.10181	8.3
95.08612	7.9
97.10181	1.4
98.21551	1.3
98.98457	4.6
104.19411	0.7
108.42882	0.8
109.10133	2.9
119.50532	0.8
123.11719	1.1
124.01567	1.6
137.13240	0.7
142.02652	1.2
143.03880	0.7
155.01042	5.8
216.06273	1.9
239.23769	1.7
282.27914	11.2
313.27374	100.0
314.27692	1.3
363.04700	0.7
393.23932	7.8
436.28192	5.7
454.29150	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	453.1395
Annotation	Epicatechin 3-O-beta-D-allopyranoside
Peak:m/z	Relative Intensity
53.03959	0.7
55.01866	1.2
55.05494	0.7
56.96565	0.5
57.03441	0.9
61.02938	0.7
61.68909	0.4
65.03937	1.2
67.05508	0.8
68.99791	0.9
69.03429	3.0
69.39075	2.8
71.04974	0.4
81.03432	1.8
81.35712	0.4
83.04988	0.7
83.08613	0.7
85.02911	8.7
87.04472	0.6
91.03954	0.5
91.05491	2.2
92.85649	0.4
93.03392	0.4
95.04987	1.0
97.02879	2.7
98.20786	0.7
99.04449	0.6
100.11263	6.4
107.04984	0.8
109.02879	0.8
111.04445	2.5
119.04955	5.8
121.02842	0.8
123.04438	47.8
124.04754	0.5
127.03931	1.9
129.88852	0.4
135.04433	1.4
139.03912	100.0
140.04205	0.7
145.04970	0.9
147.04422	20.6
151.03900	2.9
161.05977	2.3
163.03961	3.5
165.05499	11.0
169.05045	0.7
177.05525	0.6
179.07060	1.0
181.05000	1.4
189.05446	0.8
205.04881	0.6
207.06540	2.0
209.16620	1.0
210.15714	0.5
218.97504	0.7
219.17444	0.5
227.17535	8.1
228.10149	0.4
237.00717	1.1
247.05980	0.8
255.01714	0.6
260.98608	0.4
273.07605	8.4
287.00043	0.9
291.08652	14.5
291.13324	3.2
301.09387	0.5
303.08548	0.7
323.09219	1.0
325.65131	0.4
347.02118	0.5
429.07135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1394
Annotation	Epicatechin 3-O-beta-D-allopyranoside
Peak:m/z	Relative Intensity
51.02374	0.4
53.03944	1.1
53.27486	0.4
55.01866	1.6
57.03418	1.3
59.31200	0.4
61.02936	2.4
65.03942	1.2
67.05503	1.3
68.99791	1.6
69.03436	7.4
70.64445	0.9
73.02905	1.3
79.64073	0.4
81.03422	2.9
83.01330	0.4
83.04993	0.9
85.02912	20.9
86.09724	0.8
87.04472	0.9
91.03970	1.1
91.05481	2.4
93.03409	1.4
95.04978	1.7
97.02910	5.5
99.04457	1.9
99.55627	0.4
101.02394	0.4
105.03386	0.5
107.04951	1.6
109.02878	2.5
111.04452	2.4
115.05417	0.5
119.04946	6.2
121.02877	0.4
123.04440	51.2
127.03928	4.5
131.76111	0.4
135.04460	2.4
137.06006	0.9
139.03914	100.0
140.04240	0.7
143.04950	0.6
145.04953	2.8
146.11807	0.4
147.04422	24.6
148.04767	1.2
151.03940	3.0
153.05482	2.7
161.06023	2.1
163.03928	2.9
165.05492	13.4
169.05008	1.5
177.05556	0.6
179.06947	0.8
181.04955	1.1
189.05528	1.1
205.05000	0.5
207.06560	1.9
218.97455	0.7
222.19948	0.5
231.06705	0.5
237.00916	0.6
273.07547	4.1
279.82706	0.4
291.08682	13.5
321.09723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76128	1.8
54.86822	1.6
55.05283	1.8
55.05511	14.6
59.04972	1.9
60.33377	1.8
67.05489	4.5
69.03425	3.9
69.07056	3.3
71.04992	12.5
71.41817	1.8
79.05513	3.9
81.07068	12.9
83.04974	12.8
83.08598	2.4
85.02894	7.1
85.06550	4.0
91.05477	16.6
93.07052	13.4
95.04947	7.0
95.08577	8.0
97.02880	2.3
97.06534	3.9
105.07040	17.5
107.08604	10.0
108.13910	1.6
109.10146	7.2
111.04447	1.9
111.08031	2.7
117.07001	2.0
119.04944	24.5
119.08562	5.1
121.09340	1.9
121.10150	22.4
123.11690	4.1
125.09644	3.9
129.05495	2.1
129.07048	2.5
131.08569	9.9
131.29051	2.0
133.10132	62.1
135.11678	9.9
139.03891	10.1
139.11116	2.8
143.10649	10.4
145.10107	9.7
147.04413	100.0
147.11679	7.9
149.13248	6.5
151.11154	3.1
153.12720	9.4
159.11703	9.5
161.13251	3.1
163.03844	3.1
163.11168	2.2
191.03392	6.6
191.17969	3.3
193.12239	2.4
201.16383	13.9
211.13312	2.6
219.17450	20.3
237.18484	60.9
255.19464	2.6
285.07568	4.3
462.30548	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27884	0.4
54.76396	0.3
55.05505	0.6
57.89377	0.3
61.67208	0.3
65.03934	1.9
67.05496	0.3
70.86537	0.9
81.07027	0.4
83.04978	1.1
85.40180	0.4
87.04430	0.3
91.05483	14.1
93.03394	0.7
95.04994	0.5
111.04444	1.7
113.48055	0.4
119.04945	27.8
121.02837	0.5
129.05490	1.0
133.10104	0.4
139.03906	2.2
147.04411	100.0
148.04744	0.4
157.04947	2.4
165.07579	0.4
175.06064	1.7
191.03386	0.4
197.14323	0.3
244.60660	0.3
289.06119	0.3
289.09213	0.7
291.12073	0.6
303.08698	0.7
353.14188	0.4
436.15308	0.3
453.17194	2.6
453.34576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76128	1.8
54.86822	1.6
55.05283	1.8
55.05511	14.6
59.04972	1.9
60.33377	1.8
67.05489	4.5
69.03425	3.9
69.07056	3.3
71.04992	12.5
71.41817	1.8
79.05513	3.9
81.07068	12.9
83.04974	12.8
83.08598	2.4
85.02894	7.1
85.06550	4.0
91.05477	16.6
93.07052	13.4
95.04947	7.0
95.08577	8.0
97.02880	2.3
97.06534	3.9
105.07040	17.5
107.08604	10.0
108.13910	1.6
109.10146	7.2
111.04447	1.9
111.08031	2.7
117.07001	2.0
119.04944	24.5
119.08562	5.1
121.09340	1.9
121.10150	22.4
123.11690	4.1
125.09644	3.9
129.05495	2.1
129.07048	2.5
131.08569	9.9
131.29051	2.0
133.10132	62.1
135.11678	9.9
139.03891	10.1
139.11116	2.8
143.10649	10.4
145.10107	9.7
147.04413	100.0
147.11679	7.9
149.13248	6.5
151.11154	3.1
153.12720	9.4
159.11703	9.5
161.13251	3.1
163.03844	3.1
163.11168	2.2
191.03392	6.6
191.17969	3.3
193.12239	2.4
201.16383	13.9
211.13312	2.6
219.17450	20.3
237.18484	60.9
255.19464	2.6
285.07568	4.3
462.30548	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.9
55.01870	1.1
55.05514	1.5
59.05012	1.0
59.24168	0.5
61.02921	0.9
65.03945	1.0
66.04729	0.7
67.05515	1.9
69.03432	4.1
69.07063	1.8
69.23684	2.6
69.24111	2.1
71.04993	11.2
72.70298	0.4
73.02936	0.8
79.05500	16.8
81.03410	2.4
81.07061	94.0
83.04986	6.5
83.08617	0.5
85.02909	8.2
86.09747	0.5
87.00830	3.4
87.04472	0.7
89.06049	0.7
91.05492	2.8
93.07045	2.2
95.04971	2.1
95.08619	1.3
97.02894	3.2
97.06549	1.2
99.04454	1.2
99.08106	0.7
105.01879	4.0
105.07014	1.3
107.08613	3.5
109.02860	2.8
109.06544	0.9
109.10165	4.4
111.08088	0.8
117.05478	0.5
119.04977	3.4
119.08556	0.7
120.04472	3.3
121.10152	3.2
123.08054	0.8
123.11701	6.3
125.09627	1.2
127.03912	6.2
127.11211	0.8
133.10135	1.9
136.07565	0.6
139.03801	0.5
139.11142	1.5
139.12621	0.5
143.10689	0.7
145.04988	2.3
147.04417	12.8
149.09596	1.3
151.11198	12.6
153.12761	0.8
159.02896	1.7
164.07021	0.8
169.12247	100.0
170.12645	1.0
187.13292	6.2
209.15376	0.5
211.39653	0.6
231.04993	1.6
237.18546	0.9
244.15282	0.7
249.06175	0.8
256.04434	0.5
272.14703	0.6
289.15494	0.8
290.15707	1.2
320.04831	1.2
399.16205	0.5
417.17386	0.6
429.95026	0.5
442.74271	0.6
452.21680	1.2
461.31873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01871	1.7
55.05502	3.2
62.42758	1.0
65.03931	2.6
67.05515	9.3
69.03428	2.6
69.07059	3.2
69.30926	5.1
69.31357	4.6
70.06586	1.5
71.01349	2.4
71.04985	1.7
79.05495	4.6
81.07054	2.4
83.04995	6.7
85.02920	5.6
86.09681	2.6
91.05485	2.8
93.03393	1.6
93.07050	3.4
95.04380	1.6
95.04979	33.0
95.08588	1.7
97.02906	1.5
97.06540	16.4
97.71331	1.1
105.03423	1.4
107.08578	1.3
111.04443	4.8
117.06962	1.3
118.11626	1.3
119.04926	3.0
120.08082	3.6
121.02886	1.9
121.10136	1.8
123.04449	7.4
128.06229	2.5
129.07021	2.6
131.08565	2.1
133.06525	1.5
135.04413	2.4
137.02284	1.2
139.03880	3.5
141.06982	2.9
143.04860	2.2
143.08548	4.3
147.04433	7.9
148.04785	3.1
148.07585	1.5
149.06007	2.1
149.09622	1.6
152.06239	1.9
153.01863	11.2
154.02142	4.4
155.02292	3.7
157.05112	1.3
157.06483	3.3
157.10107	4.3
160.05226	16.4
161.05997	47.4
163.03915	24.8
165.05473	2.4
167.08554	11.8
169.06450	2.8
171.08049	5.0
173.06000	9.1
174.06740	3.3
175.03912	2.5
175.06206	1.2
175.07495	5.6
181.06528	1.3
184.05173	5.1
185.06056	2.7
185.09619	3.4
187.07564	4.8
189.01860	1.2
189.05496	3.6
189.09123	73.9
195.08067	17.1
198.06813	2.6
199.07550	2.3
201.09096	5.3
203.07072	3.1
203.10683	4.9
209.04587	1.3
213.09117	32.0
215.07043	22.1
215.10739	3.5
217.08652	17.7
223.07547	1.7
226.06328	1.3
228.12628	1.4
229.08620	1.4
230.05765	1.2
231.10170	18.8
233.08104	1.2
241.08624	13.3
243.14902	7.7
249.11234	5.8
253.82803	1.2
259.09689	100.0
267.59024	1.4
271.05981	7.7
271.14429	12.2
272.06381	10.6
273.06564	30.0
274.06808	10.6
275.07501	17.1
277.10715	18.5
287.05569	3.5
288.05869	2.7
289.06070	4.5
289.15515	7.6
289.19952	1.2
301.11884	1.2
367.13870	3.3
433.14908	5.1
451.10318	6.0
451.16040	35.4
451.22812	1.9
451.25204	1.6
455.65543	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63988	0.5
60.77554	0.5
70.11695	2.3
239.78680	0.6
275.38821	0.6
314.65616	0.7
369.56967	0.6
433.03659	0.7
451.04886	100.0
452.05203	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1239
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
53.03945	1.2
55.01865	1.5
57.03427	1.5
61.86407	0.8
65.03938	1.4
67.01864	1.9
68.99789	3.3
69.03416	3.3
69.07063	1.4
70.75383	1.6
70.75705	1.6
73.02946	1.0
79.05479	1.9
81.03421	1.3
81.07052	1.7
82.06586	1.7
84.04515	1.1
85.02905	8.1
91.05476	3.5
95.04964	1.9
97.02882	3.9
98.21464	1.1
107.04964	54.7
111.04446	3.5
119.04945	3.6
120.08099	1.1
121.02881	16.2
121.10098	0.9
122.00413	0.8
123.04434	1.3
127.03896	3.9
131.04932	1.0
135.04425	5.6
139.03917	4.3
139.07558	0.9
140.07039	1.9
141.06923	1.9
145.04936	2.2
145.06500	1.0
147.04413	4.4
147.08009	1.8
149.02351	75.7
153.01840	100.0
156.06529	0.9
162.02199	1.2
163.03905	3.4
164.07042	1.4
165.01833	2.1
167.03444	8.4
169.06473	4.1
171.02869	1.5
177.01825	1.1
178.08789	1.0
182.08153	2.8
187.03865	0.9
187.07542	1.7
195.02911	12.0
197.05965	4.7
200.04704	1.3
201.05443	1.0
203.03383	1.0
206.08008	1.3
206.36504	1.1
215.07047	65.6
216.07167	0.9
219.02902	1.8
225.05420	1.5
229.05083	1.2
239.07132	1.1
242.05754	2.4
243.06548	59.6
243.14868	2.1
253.13562	1.1
257.07977	0.9
259.11276	1.8
260.11392	2.2
271.06049	32.1
271.14343	3.4
289.07086	86.7
289.15549	3.2
290.07242	1.3
309.07474	1.3
313.06940	2.2
321.07492	1.2
331.04996	1.1
333.07703	1.1
347.09082	1.3
349.06839	1.8
351.08850	1.3
367.08182	1.3
375.08768	1.6
387.08533	1.0
433.09341	4.3
451.10355	10.8
451.20877	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.1
56.29848	0.6
57.07071	1.5
59.05010	0.8
67.05517	5.1
69.03429	3.1
69.07066	1.1
69.23737	5.3
71.04999	13.9
73.06557	1.6
79.05483	1.4
81.07059	3.3
83.04987	1.6
83.08617	2.0
85.02897	1.9
85.06554	7.7
88.02209	1.0
91.05479	0.9
93.07051	1.8
95.04979	11.8
95.08616	1.6
97.02901	0.6
97.06554	1.0
97.10180	5.7
99.08078	0.7
102.79644	0.5
104.06621	0.6
105.07035	1.0
107.04964	0.8
107.08605	13.7
109.06533	0.6
109.10167	3.0
111.08088	1.5
119.08576	1.7
121.10152	3.4
123.11737	2.7
125.09640	28.6
133.10165	1.1
135.11630	0.7
139.11169	0.9
140.14256	0.5
143.10684	100.0
145.10173	0.6
147.04425	1.7
147.11731	1.2
149.09650	1.3
149.13237	0.7
153.01778	0.9
153.99036	0.6
154.02203	0.6
167.10661	1.5
175.14862	2.0
178.59178	0.5
183.13878	1.3
188.49287	0.5
189.09100	0.6
189.16298	0.6
217.15898	0.9
235.16954	7.0
244.17038	1.9
253.18013	10.9
259.09689	0.9
271.06018	0.7
271.19089	1.6
272.06430	1.9
273.06686	1.2
274.06982	2.3
287.05411	0.9
288.05856	2.2
288.19669	1.4
305.16180	1.0
450.24838	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	450.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
53.39000	1.0
55.05510	7.8
57.03440	2.7
57.07062	1.3
65.03955	1.8
67.05507	48.2
68.05840	3.5
69.07064	7.6
69.25482	10.0
71.04989	2.4
79.05489	16.7
80.05810	1.6
81.03421	1.5
81.07056	49.7
82.07388	3.3
83.04989	3.2
83.08620	7.0
84.04510	1.8
85.06527	2.6
91.05481	18.9
93.07050	21.9
94.07379	3.6
95.04994	2.3
95.08610	38.1
95.85827	1.2
96.08940	1.7
97.06527	4.2
97.10186	5.4
98.06860	1.5
98.09657	2.1
98.20686	2.2
99.08101	1.7
102.09125	1.3
105.07031	5.8
107.08585	11.3
108.08921	2.3
109.06561	1.4
109.10155	18.2
111.08067	3.7
115.98641	1.2
117.07015	1.7
119.04935	23.6
119.08601	5.3
121.10146	10.7
123.11700	11.6
125.09601	1.5
131.08586	3.5
133.10159	11.1
135.11699	15.1
136.12039	3.6
137.09627	3.8
137.13269	4.7
145.10130	4.2
147.04411	100.0
147.11682	2.3
149.02348	1.3
149.13258	7.7
150.13603	2.1
151.11168	5.7
155.10649	3.1
158.15471	1.5
159.11685	3.5
165.05487	11.4
169.12245	4.1
173.13396	1.3
177.12798	2.2
181.12239	2.5
187.14838	1.4
193.04999	1.6
195.13828	4.2
215.17950	14.3
233.18973	15.1
251.20084	51.9
265.52893	1.2
269.21042	2.7
377.24442	1.3
396.47583	1.2
450.24054	2.3
450.29370	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.4
55.01872	2.7
55.05507	2.6
56.34615	1.4
57.03437	1.4
65.03937	2.1
67.05505	4.5
68.99784	4.5
69.03425	2.5
69.07069	3.7
69.64969	7.9
72.46955	1.1
79.05467	3.1
81.07057	6.2
81.81565	1.2
83.04956	2.4
85.02924	3.0
87.26149	1.2
87.51449	1.2
91.05478	6.1
92.69468	1.2
93.07047	2.7
95.04974	1.8
95.08623	3.6
97.02905	1.8
97.06535	3.6
97.10204	1.6
98.21484	2.9
105.03407	1.7
105.07037	4.9
107.08587	2.3
109.06544	2.4
109.10148	2.4
111.00803	3.6
111.04441	2.4
115.05447	1.8
117.07028	2.2
119.04934	2.2
119.08588	3.2
121.10182	2.4
123.04433	9.8
127.03945	1.9
128.06192	2.0
129.07016	4.3
131.08572	5.3
133.02837	1.4
133.10143	2.2
137.02373	1.4
137.06039	1.2
139.03918	100.0
141.07010	2.1
142.07759	1.3
143.04958	1.8
145.06433	2.3
145.10083	2.1
147.04425	13.3
147.11702	1.4
149.02385	1.8
151.03929	7.1
153.01822	1.8
155.08575	4.8
156.68109	1.2
157.06473	1.6
157.10103	3.6
159.04472	2.2
159.08080	4.7
161.02327	1.6
161.05974	2.1
161.09587	2.9
161.13290	2.2
163.03926	17.2
165.05482	5.4
165.06990	3.9
167.14354	1.9
169.04984	3.9
169.06360	1.7
171.04396	1.5
171.08006	2.2
173.02463	1.3
173.05997	2.1
175.03954	10.4
175.07593	3.4
175.19014	1.2
177.05505	1.6
179.03452	1.9
179.07034	3.8
183.08063	4.5
184.08833	1.2
185.05974	2.7
185.09663	3.0
186.51201	1.4
187.07565	4.4
189.05473	2.1
191.03383	2.7
191.06906	2.1
197.05945	2.4
197.09691	2.2
199.07449	2.0
201.05402	3.0
201.09157	3.6
203.03333	3.6
203.07068	4.9
203.18028	2.2
205.04945	3.5
205.08594	1.8
211.07497	6.3
212.08325	5.1
213.05484	2.6
213.09172	2.9
215.03404	1.9
215.07054	9.8
217.04887	1.6
217.08598	2.4
219.10175	3.0
221.19009	2.0
225.09079	3.4
228.04247	2.0
229.05019	4.0
229.08548	2.9
230.89046	1.3
231.06534	4.4
233.08023	2.7
235.16942	3.1
239.07066	7.7
243.06599	1.5
243.10225	2.0
245.08107	3.5
247.09679	11.6
249.11267	3.1
253.08519	3.1
253.17979	5.0
257.08224	1.5
259.09778	2.0
267.06604	2.8
267.10101	1.6
271.09689	15.8
273.06757	1.6
277.10757	16.8
281.11734	2.2
282.05344	1.9
287.05576	3.6
288.05969	4.0
291.08694	2.5
295.06055	3.5
295.09503	1.3
305.91776	1.3
309.11264	5.4
311.12827	1.8
327.08591	2.7
327.12170	2.2
336.06033	1.8
337.10730	20.7
339.12195	2.3
341.13751	2.4
347.09171	2.2
355.11780	3.9
365.10260	13.9
369.13220	8.0
383.11261	13.0
387.14374	4.0
397.12921	21.2
415.13910	21.9
433.14832	5.7
450.25653	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1085
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
51.98870	0.1
52.72154	0.1
65.03945	0.2
65.13969	0.1
65.32851	0.1
67.01855	0.2
68.99802	0.5
69.03431	0.3
70.06563	0.2
70.54788	0.1
70.75502	0.3
71.18927	0.1
79.05509	0.2
79.20550	0.1
80.73618	0.1
81.03419	0.2
81.07080	0.2
81.21821	0.1
84.04544	0.1
85.02911	0.4
91.05420	0.2
92.93524	0.1
95.04974	0.2
97.02892	0.2
105.03387	0.3
107.04986	0.6
108.87123	0.1
109.02863	0.3
111.00831	0.7
121.02891	3.0
123.04441	0.4
127.03950	0.2
133.02914	0.6
135.04460	0.3
137.02368	1.0
139.03928	0.2
145.06505	0.2
147.04419	0.7
153.01848	4.0
157.06516	0.5
163.03946	0.3
165.01865	1.9
171.04474	0.3
175.03926	0.1
183.02896	0.9
185.05957	0.6
189.05421	0.3
191.03110	0.1
203.07104	0.2
213.05457	2.1
219.02940	0.1
231.06506	0.8
241.04924	0.9
258.05347	1.3
259.06082	0.5
264.33228	0.1
269.04504	0.2
287.05539	100.0
288.05905	1.6
299.05585	0.2
329.06567	0.2
353.06543	0.2
449.10831	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.1
55.01869	0.2
57.03427	0.7
60.62671	0.2
61.02929	6.7
68.99802	0.5
69.03427	1.0
71.45312	0.2
73.02925	1.5
81.03425	0.6
85.02906	4.8
91.03958	3.6
93.84678	0.1
94.73742	0.2
97.02302	0.2
97.02897	2.7
99.04456	0.3
105.03405	0.3
107.04945	0.4
109.02884	0.6
111.00826	0.8
115.03938	0.3
119.50632	0.2
121.02856	2.7
121.06557	0.2
127.03936	1.1
133.02873	0.3
135.04414	0.2
137.02353	0.5
145.04973	0.6
147.04411	0.5
153.01834	4.4
157.06488	0.5
165.01831	1.8
171.04375	0.2
183.02895	0.8
185.05986	0.5
197.05888	0.2
213.05487	1.3
231.06578	0.3
241.04918	0.8
256.80954	0.2
258.05194	1.3
259.06091	0.4
271.06003	1.0
272.06302	0.7
273.06619	1.3
287.05493	100.0
288.05832	1.3
329.06287	0.2
449.11218	0.1
449.17770	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	449.1081
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
52.03924	0.1
57.60219	0.1
59.79144	0.1
60.49780	0.1
63.15346	0.1
67.01863	0.5
68.99806	0.4
69.03425	0.1
69.19979	0.4
69.20408	0.4
80.48683	0.1
89.03918	0.1
94.94135	0.1
98.20763	0.1
107.04941	0.2
117.03345	0.2
135.04419	1.7
137.02338	0.5
153.01828	4.5
161.02367	0.4
171.02870	0.3
179.03416	0.2
203.03299	0.1
213.05399	0.1
227.03307	0.1
231.06497	0.1
241.04900	0.4
259.06052	0.1
269.04459	0.4
286.04742	0.1
287.05499	100.0
288.05823	1.4
429.39230	0.1
449.10852	0.8
459.06989	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	449.1081
Annotation	luteolin-4'-O-glucoside
Peak:m/z	Relative Intensity
57.03427	0.4
61.02903	0.2
67.01846	0.4
68.99776	0.5
69.03399	0.3
69.50546	0.5
69.50968	0.6
73.02918	0.7
75.04482	0.9
85.02864	0.4
89.03969	0.1
89.14083	0.2
96.68128	0.2
97.10184	0.1
98.20874	0.4
109.02854	0.2
111.00831	0.2
117.03406	0.2
135.04398	1.5
137.02324	0.7
137.17372	0.2
153.01831	5.6
161.02365	0.4
171.02910	0.3
179.03319	0.4
201.05556	0.2
229.04898	0.2
241.04884	0.5
257.04514	0.2
269.04401	0.4
271.06015	0.2
272.06345	0.2
273.06500	0.4
285.03638	0.2
286.04700	0.4
287.05499	100.0
288.05777	1.5
302.04077	0.2
303.04999	3.3
305.05524	0.3
317.06558	3.2
449.10806	26.2
450.11090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1084
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
51.04112	0.1
56.88058	0.1
57.03407	0.1
57.19771	0.1
66.95100	0.1
67.01821	0.5
68.99768	0.3
69.03407	0.1
69.54033	0.7
73.02924	0.7
85.02856	0.4
109.02844	0.1
117.03353	0.2
124.00439	0.1
129.85631	0.1
135.04428	1.4
137.02306	0.4
153.01840	4.6
161.02315	0.5
171.02898	0.2
178.25722	0.1
179.03334	0.1
199.99625	0.1
203.03253	0.1
213.05302	0.2
241.04993	0.4
257.19278	0.1
269.04419	0.6
270.05734	0.1
271.06134	0.6
272.06439	0.4
273.06561	1.0
273.87378	0.1
274.04718	0.3
285.03918	0.3
287.05511	100.0
288.05792	1.5
302.04266	0.6
303.05002	0.7
305.05716	0.1
317.06567	5.4
413.08884	0.1
449.10849	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	449.1081
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03930	0.1
55.01869	0.2
57.03427	0.7
60.62671	0.2
61.02929	6.7
68.99802	0.5
69.03427	1.0
71.45312	0.2
73.02925	1.5
81.03425	0.6
85.02906	4.8
91.03958	3.6
93.84678	0.1
94.73742	0.2
97.02302	0.2
97.02897	2.7
99.04456	0.3
105.03405	0.3
107.04945	0.4
109.02884	0.6
111.00826	0.8
115.03938	0.3
119.50632	0.2
121.02856	2.7
121.06557	0.2
127.03936	1.1
133.02873	0.3
135.04414	0.2
137.02353	0.5
145.04973	0.6
147.04411	0.5
153.01834	4.4
157.06488	0.5
165.01831	1.8
171.04375	0.2
183.02895	0.8
185.05986	0.5
197.05888	0.2
213.05487	1.3
231.06578	0.3
241.04918	0.8
256.80954	0.2
258.05194	1.3
259.06091	0.4
271.06003	1.0
272.06302	0.7
273.06619	1.3
287.05493	100.0
288.05832	1.3
329.06287	0.2
449.11218	0.1
449.17770	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	449.108
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
53.03936	0.2
55.01871	0.2
57.03435	0.4
61.02908	0.6
67.01856	0.7
68.99790	0.4
69.03416	0.8
69.49942	0.5
69.50368	0.8
69.93797	0.2
70.17944	0.2
71.04980	0.6
73.02924	0.2
76.86282	0.2
81.03395	0.5
85.02913	3.7
91.03933	0.4
97.02884	0.8
98.59211	0.2
99.04467	0.2
117.03357	0.2
121.02864	0.4
121.18745	0.2
127.03885	0.4
135.04433	1.8
137.02348	0.7
145.04982	0.6
153.01842	4.9
161.02402	0.5
165.01884	0.4
171.02875	0.2
179.03406	0.3
183.02879	0.2
201.05582	0.2
225.73904	0.2
229.05006	0.5
241.04971	0.5
253.44058	0.2
257.04529	0.5
269.04398	0.4
283.05911	0.2
287.05515	100.0
288.05814	1.6
299.05502	0.7
300.06537	0.2
303.05002	8.8
325.07153	0.2
329.06613	0.8
353.06485	0.4
359.22903	0.2
413.08472	0.3
431.09808	0.4
449.10785	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1084
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
54.12782	0.2
57.03431	0.5
61.02934	5.8
62.34387	0.1
64.78153	0.1
68.99789	0.5
69.03432	1.0
69.63348	0.7
72.08169	0.2
73.02928	1.3
79.05486	0.2
81.03423	0.5
85.02917	5.8
91.03422	0.2
91.03969	3.3
97.02904	3.1
98.21491	0.3
98.80949	0.1
101.02374	0.2
103.05469	0.2
105.03405	0.2
107.04947	0.4
109.02885	0.5
111.00809	0.5
115.03934	0.3
121.02887	2.5
127.03912	1.0
129.06999	0.2
131.38078	0.1
133.02858	0.6
137.02365	0.8
145.04985	0.7
145.06491	0.2
147.04433	0.3
147.46921	0.2
151.03922	0.4
153.01843	3.8
157.06436	0.4
157.07648	0.2
161.06195	0.2
165.01863	1.9
171.04417	0.3
183.02901	1.2
185.05942	0.4
213.05511	1.3
220.90903	0.2
223.85498	0.2
231.06451	0.7
241.05096	0.8
258.05313	1.3
259.06094	0.6
287.05530	100.0
288.05881	1.5
299.05484	0.6
303.04849	0.2
329.06549	0.7
353.06552	0.4
431.09637	0.3
449.10715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68762	0.4
56.05016	1.1
60.05624	1.3
64.99409	0.5
69.03413	0.6
70.06564	1.5
71.04975	0.6
71.33613	1.1
73.95983	0.5
83.04963	0.4
83.06073	1.6
85.02907	0.7
87.99532	0.5
88.07601	1.1
91.05450	0.8
95.04936	0.5
98.07175	0.4
104.05029	0.6
105.03380	2.4
105.05793	0.6
105.46104	0.4
106.06532	1.0
111.04460	0.7
111.05560	5.3
113.07100	0.9
119.04966	0.6
120.04476	12.1
123.04440	0.7
123.05535	0.8
126.05768	0.8
126.06646	9.2
132.04459	21.1
133.05225	0.6
134.06012	8.0
137.04694	1.9
137.05927	0.6
139.03882	0.8
140.08154	1.4
145.03984	0.6
147.04419	2.5
149.07098	0.9
151.06178	7.9
168.08861	2.6
185.07126	0.8
199.09689	0.5
202.09778	12.4
216.11340	3.8
230.09271	7.9
231.12395	1.0
232.10838	4.9
241.05222	0.5
242.09286	2.9
255.08730	0.8
257.10330	5.4
259.11920	75.2
260.12344	0.7
271.06009	0.9
272.06332	1.3
277.12924	2.2
284.11493	6.4
287.05515	17.0
300.44025	0.5
301.14105	6.6
302.12479	32.3
319.15176	2.1
362.18326	0.7
406.17279	14.2
430.18408	1.0
431.16931	1.2
448.19434	100.0
449.19678	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.6
56.33311	0.9
57.03440	1.0
57.07087	5.9
58.06593	1.2
63.59305	1.1
67.05511	2.1
69.07059	2.2
70.06596	14.4
70.08547	2.6
71.08633	2.9
76.03188	1.0
79.05496	1.5
81.07070	2.2
88.07639	18.5
91.05503	1.5
93.07016	1.6
95.08599	1.2
102.09193	11.6
104.02632	2.9
105.07030	1.0
107.08627	1.1
118.04237	0.8
119.04989	2.1
120.00615	0.8
121.10191	1.1
121.30862	0.9
132.02098	5.5
136.01541	5.2
142.85718	1.0
145.10092	1.1
147.04428	20.8
148.05205	2.0
149.02357	1.3
153.01907	1.3
154.02290	1.0
160.64880	1.0
175.03931	39.3
180.04190	7.4
191.07066	2.7
212.23782	1.1
219.06555	74.8
223.20587	1.1
232.32001	0.9
256.26379	45.0
271.06052	11.9
272.06366	29.8
273.06479	1.3
448.30655	100.0
449.30676	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	448.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.1
59.43367	1.1
67.05496	3.7
68.62040	1.0
69.03426	1.6
69.07062	1.9
73.02905	1.1
79.05495	2.8
81.03444	2.5
81.07069	5.9
83.08627	1.7
85.02914	4.8
85.06522	1.1
91.05492	2.0
93.07046	4.9
95.04964	1.2
95.08621	5.1
97.02891	2.0
97.10193	1.2
102.39537	1.1
105.07040	3.6
106.33928	1.0
107.04900	1.0
107.08575	3.8
109.10185	3.3
119.04913	1.8
119.08615	2.0
120.05328	1.3
121.06507	2.1
121.10133	1.3
123.11719	12.0
135.11700	5.5
145.10103	1.4
148.10477	0.9
149.02374	4.1
149.13275	14.9
153.01823	3.6
154.02141	2.9
193.04962	3.7
193.08675	1.9
193.12175	1.3
194.05327	3.8
205.19507	35.5
235.48245	1.0
237.07573	1.3
238.07983	1.9
271.06039	41.7
272.06366	100.0
273.06635	1.5
287.05551	2.4
430.11813	1.6
448.09525	4.8
448.27350	1.5
448.33035	5.8
449.29163	1.9
452.33771	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04854	1.2
53.03947	4.1
55.01860	5.1
55.05512	17.8
57.03441	7.2
57.69925	1.3
62.44017	1.2
65.03933	1.9
66.17129	1.1
67.05506	36.4
68.45522	1.1
69.03421	2.9
69.07066	10.4
69.85684	6.5
71.01351	1.6
71.04987	3.8
79.05493	34.2
81.03422	45.8
81.07065	24.9
83.04987	7.4
83.08627	13.6
85.02888	2.3
85.06541	2.2
91.05479	31.4
93.07049	31.6
94.89909	1.4
95.04973	25.5
95.08610	12.5
97.06525	6.6
97.10154	8.7
99.08119	1.5
104.05907	1.1
105.04527	1.3
105.07031	15.9
107.04974	9.5
107.08601	20.3
108.20198	1.2
109.06516	5.1
109.10148	5.0
111.08097	5.5
115.05452	2.5
117.07029	11.1
119.04957	2.8
119.08591	13.3
121.06509	9.5
121.10149	6.6
123.08075	3.6
125.09630	7.4
128.06233	2.5
129.07018	11.0
131.04956	3.5
131.08577	13.0
133.06497	5.7
133.10141	8.1
135.08076	3.6
135.11700	20.8
137.09648	2.1
141.06989	2.6
142.07777	2.3
143.08548	5.4
145.06517	9.6
145.10114	10.6
147.08060	4.5
147.11711	5.0
149.02295	1.4
149.09590	4.9
153.01826	3.3
155.08559	3.4
157.06483	1.4
157.10143	7.1
159.08070	3.4
159.11702	3.6
161.09608	2.0
163.11174	8.0
169.10159	3.1
173.09666	1.4
175.11224	6.4
181.10042	1.3
181.12260	3.2
183.11713	3.7
185.09599	2.3
185.13298	6.6
187.11226	3.2
189.11250	2.8
191.10754	1.5
193.12276	18.0
193.98869	1.2
195.11655	1.2
199.11208	2.1
203.10623	2.2
203.14311	4.4
211.13280	3.5
213.12730	1.4
220.41135	1.4
225.12741	2.8
249.14871	4.5
257.15295	2.2
267.16013	1.7
271.06018	73.1
272.06485	2.1
275.16464	1.4
327.23181	2.8
329.21008	6.1
337.21634	7.1
355.22672	16.4
373.23764	7.3
391.24667	1.9
403.24887	7.0
410.43204	1.4
429.26434	16.8
446.55289	1.2
447.27435	100.0
448.27676	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45451	1.0
53.03946	4.8
55.01879	7.2
55.05273	1.5
55.05516	18.4
57.03440	9.0
57.07063	1.9
61.02942	4.7
63.35446	1.0
64.48695	1.0
65.03931	2.2
67.05510	38.0
69.03424	5.6
69.07075	10.3
71.01350	1.5
71.04996	3.9
73.02914	3.7
79.05500	36.5
81.03426	47.8
81.07063	25.7
83.04982	10.0
83.08624	13.8
85.02911	8.1
85.06541	2.2
91.03939	1.9
91.05489	33.4
93.07053	37.0
93.07639	1.9
95.04975	23.4
95.08618	12.0
97.02898	4.1
97.06554	6.6
97.10174	10.2
98.21600	2.3
103.05473	1.3
105.04562	1.4
105.07043	21.2
107.04959	9.0
107.08609	18.6
108.90827	1.1
109.02914	2.3
109.06521	3.9
109.10182	5.1
110.27410	1.0
111.08072	6.0
115.05463	2.3
117.07019	9.3
119.04942	2.7
119.08592	16.7
121.06505	5.6
121.10139	8.1
123.08065	3.3
123.11692	1.1
125.09628	5.6
127.03951	1.4
127.26411	1.2
128.06248	2.0
129.07022	10.5
131.04956	1.5
131.08571	11.5
133.06496	5.2
133.10114	8.0
135.08095	2.3
135.11705	21.4
137.09648	2.8
141.06995	2.8
142.07773	3.9
143.08565	3.9
145.06525	5.2
145.10127	7.6
147.08046	5.2
147.11722	7.2
149.02325	1.7
149.09637	4.6
151.11142	1.2
153.01894	5.9
153.08987	1.1
155.08559	2.6
157.06415	1.3
157.10139	9.6
159.08105	1.8
159.11711	4.0
161.09613	2.1
163.11194	7.5
165.12747	1.9
169.10139	3.5
171.08110	1.1
171.11746	1.7
173.13144	1.3
175.11208	6.7
178.62631	1.1
181.10132	1.2
181.12271	3.5
183.11707	1.8
185.09674	1.4
185.13280	4.2
187.11258	2.0
189.11223	1.9
189.12805	1.5
193.12238	25.3
201.12788	1.4
203.14424	2.7
211.13277	8.0
219.13876	1.4
225.12720	1.6
227.12695	1.7
229.02379	1.4
231.13828	1.7
249.14937	3.9
267.15942	2.3
271.06030	100.0
272.06381	2.3
275.16476	1.2
285.16907	4.2
309.22000	1.0
327.23047	1.5
329.21341	5.3
337.21579	5.4
347.22290	1.5
355.22748	11.3
373.23779	4.1
383.55856	1.2
391.24582	2.1
403.24603	6.7
429.26227	11.4
447.09235	3.3
447.27460	90.7
448.27454	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	447.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16426	0.6
53.03924	2.9
55.01852	1.9
55.05518	9.6
57.03445	4.3
57.07042	0.8
65.03918	1.7
67.05511	23.5
69.03419	2.0
69.07082	5.9
70.54990	2.1
71.01361	0.7
71.04969	2.2
79.05499	23.3
81.03425	28.8
81.06599	0.8
81.07062	15.9
83.04983	5.0
83.08623	7.9
85.02876	1.4
85.06530	1.5
91.05486	18.9
93.07051	20.7
95.04975	14.3
95.08622	7.8
97.02876	1.1
97.06548	4.6
97.10164	7.4
99.08064	0.7
105.07039	10.9
107.04954	5.5
107.08604	13.8
109.06502	2.2
109.10155	5.2
111.04453	1.0
111.08066	3.2
117.07032	6.7
119.04911	2.4
119.08597	8.5
121.02868	0.7
121.06494	4.9
121.10155	4.2
123.08054	2.2
125.09639	3.7
128.06210	1.3
129.07021	6.3
131.04895	1.1
131.08595	7.5
133.06485	2.6
133.10146	4.1
135.08022	2.1
135.11697	16.1
137.09543	1.0
140.10689	1.2
141.06998	1.0
142.07747	1.3
143.08575	3.2
144.30757	0.7
145.06477	3.1
145.10135	5.6
147.08023	3.1
147.11662	3.9
149.02388	0.9
149.09608	2.2
153.01831	3.1
153.12695	0.8
155.08485	1.7
157.06563	1.2
157.10156	3.9
159.08034	1.9
159.11710	2.7
161.09621	0.8
163.11197	3.9
165.12709	0.9
167.08502	1.0
169.10172	1.6
171.08136	1.1
171.11673	0.9
173.09525	0.8
173.13245	1.7
175.11209	4.2
177.12720	0.9
181.10114	0.7
181.12213	2.4
183.11717	1.6
185.09610	1.0
185.13293	3.4
187.11176	1.2
189.11227	1.9
193.10609	1.2
193.12265	12.8
195.11694	0.8
197.13213	1.1
202.70102	0.8
203.12566	0.7
203.14357	3.3
205.12221	0.9
213.12817	1.0
227.12674	1.7
231.13818	0.9
239.14275	0.7
249.14767	3.4
257.15466	0.8
267.15863	1.0
271.06036	100.0
272.06299	2.5
275.16473	1.0
294.21732	0.7
327.23312	1.3
329.21027	3.6
337.21732	3.9
347.21854	1.2
355.22791	7.2
373.23947	3.3
391.24573	1.0
403.24792	3.9
429.26135	6.3
447.09436	2.5
447.27451	56.1
448.27826	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.8
54.25144	3.4
55.01877	4.3
55.05501	14.0
56.59328	2.9
57.03443	16.5
61.02925	23.3
67.05514	17.8
69.03433	24.6
69.07079	7.8
70.37578	6.2
71.04992	6.9
71.08625	3.4
73.02918	14.0
74.78107	3.2
79.05503	18.2
81.03421	66.7
81.03875	6.9
81.07069	21.5
83.04978	28.4
83.08632	16.8
85.02909	49.0
85.06558	4.9
86.09683	4.2
91.03965	17.1
91.05476	23.7
93.07044	18.0
95.04958	19.9
95.08611	13.4
95.88400	3.5
97.02898	33.2
97.06546	3.5
98.45313	3.5
99.04453	4.5
101.02392	3.5
105.07036	18.7
107.04963	10.0
107.08601	8.5
109.02868	10.5
109.06554	6.2
109.10120	3.4
111.04464	8.6
111.08079	12.8
115.03943	5.3
119.08589	19.8
121.06510	5.8
121.10141	14.1
121.12249	3.5
123.08183	3.3
127.03918	11.9
129.07030	12.0
131.08591	9.1
133.06464	3.9
133.10132	11.9
137.09657	3.9
139.03911	9.5
145.05008	4.3
147.08049	6.5
147.11716	17.8
149.09656	9.8
157.10112	15.1
171.11722	3.2
175.11198	14.3
185.00125	3.5
193.12257	65.7
205.04526	3.3
211.13306	61.7
242.05768	14.2
267.16022	17.6
270.05255	30.7
271.06033	77.0
285.07574	100.0
285.16980	89.1
429.10208	5.3
429.21048	10.9
447.09921	3.6
447.16367	5.0
447.22229	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01866	1.0
55.05518	9.8
57.03444	9.3
57.07075	4.3
58.06626	0.8
67.05508	20.6
69.06728	1.0
69.07076	11.5
69.29906	5.8
71.08620	2.2
73.02919	0.8
79.05063	1.1
79.05494	12.7
81.07066	24.9
83.04950	0.9
83.08629	5.9
85.06556	1.0
85.10184	1.1
91.05486	6.5
93.07050	18.1
95.04964	0.7
95.08616	22.3
97.06570	1.7
97.10175	3.4
98.98460	7.8
103.03970	0.7
105.07054	5.4
107.04962	0.8
107.08601	10.8
109.10168	12.1
111.11719	1.7
113.00026	38.6
117.07047	1.4
119.04910	1.8
119.08572	4.5
119.35712	0.7
120.46645	0.7
120.74478	0.8
121.02850	0.7
121.10138	9.4
123.11716	5.5
131.08565	3.3
133.10147	3.8
135.11696	6.3
136.99982	8.4
137.13272	2.0
145.10138	2.4
147.11702	2.3
149.13277	3.6
153.01836	4.0
155.01056	7.3
159.11705	2.3
161.13280	2.1
163.14827	3.3
169.02625	14.8
173.13239	2.3
177.16457	1.3
187.03758	4.0
187.14857	1.5
193.02678	1.5
193.12321	0.9
205.19533	1.1
211.03612	1.3
219.21013	0.9
237.21899	0.9
243.21068	4.6
261.22165	9.8
271.06027	100.0
272.06366	2.6
273.25806	1.8
295.23483	0.9
311.25836	7.2
317.24734	2.4
333.27762	2.0
335.25824	50.9
429.29608	1.0
446.42081	1.8
447.09210	3.8
447.25101	15.9
447.31271	1.2
447.42508	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	445.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.6
55.01873	7.7
55.05518	37.3
57.07080	37.3
67.05519	22.1
69.07081	79.0
71.05005	3.3
71.08645	28.4
71.26160	5.4
79.05499	16.9
81.07073	56.7
83.04996	5.7
83.08635	54.7
85.10191	15.4
91.05477	9.3
93.07040	27.4
93.32610	3.3
95.08619	48.2
97.06550	3.4
97.10179	32.6
105.07056	5.9
107.08607	25.7
108.36385	3.3
109.06542	5.6
109.10145	21.1
111.08083	12.8
111.11748	15.6
117.26888	2.8
119.08590	4.8
121.06515	7.2
121.10144	16.0
123.08089	7.1
123.11749	15.6
125.09634	4.3
125.13258	5.1
133.10109	5.5
135.08046	3.6
135.11679	15.5
137.05984	6.5
137.13274	7.3
139.07556	100.0
147.11646	8.2
149.09644	5.9
149.13268	14.5
151.07541	9.7
151.14861	3.3
161.09711	4.3
163.14796	13.1
165.05522	13.0
165.09142	21.6
175.11220	4.0
177.09035	4.9
177.16412	5.8
193.08669	18.3
203.10663	6.5
217.12212	7.5
231.13773	7.2
250.62949	3.1
289.28900	19.7
307.30029	23.4
417.37158	6.2
427.35797	7.8
445.36932	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	447.0924
Annotation	Baicalin
Peak:m/z	Relative Intensity
67.01862	0.5
68.99802	0.2
70.16546	0.2
70.16940	0.1
91.05491	0.3
98.20849	0.1
111.00821	0.1
111.97028	0.1
119.04956	1.6
121.02841	0.5
129.01788	0.1
141.06926	0.1
145.02835	0.6
153.01837	5.0
157.06459	0.1
163.03909	0.4
171.02890	0.3
187.03996	0.2
197.05975	0.1
203.07050	0.1
225.05432	0.3
229.04970	0.3
243.06534	0.3
247.06119	0.2
253.05096	0.1
270.05032	0.1
271.06024	100.0
272.06323	0.6
447.09271	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	447.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01873	3.9
55.05515	10.9
57.03442	20.9
59.04996	1.6
60.04349	1.0
61.02930	45.5
61.95929	1.1
65.03957	1.5
67.05182	1.5
67.05508	19.8
69.03436	25.4
69.07076	6.8
70.31866	2.2
71.01351	2.9
71.05007	5.9
73.02923	19.2
79.05500	24.3
81.03423	60.7
81.07056	23.2
83.04987	15.9
83.08622	18.6
85.02911	59.5
85.03448	1.7
85.06548	2.0
86.88210	1.2
87.04455	2.5
91.03970	24.7
91.04905	1.9
91.05482	34.0
93.07047	17.7
95.04977	20.9
95.08619	7.6
97.02898	39.5
97.06553	4.8
97.10168	2.1
99.04461	6.1
101.02394	7.5
103.03954	4.4
105.07027	23.0
107.04953	7.7
107.08604	5.7
109.02867	9.5
109.06516	6.1
109.10170	2.5
111.04440	4.4
111.08102	8.7
113.05991	1.6
113.64864	1.1
115.03875	2.9
115.05426	1.4
117.05523	1.4
119.04980	2.2
119.08591	16.1
121.06490	2.2
121.10165	6.9
123.08089	2.5
125.09602	1.8
127.03922	16.3
129.05473	4.4
129.07022	10.8
131.08542	9.0
133.06477	2.9
133.10147	16.0
137.09595	2.6
142.07803	2.5
145.04953	5.1
145.10146	1.9
147.07996	2.3
147.11694	16.5
149.09619	5.5
153.01825	4.7
157.10164	14.4
163.11179	1.5
165.12794	3.2
173.43750	1.2
175.11200	18.0
177.02419	1.4
182.22253	1.3
183.06561	2.9
188.98929	1.3
193.12259	60.5
201.07605	2.2
206.02658	1.6
211.13303	66.7
229.14368	1.2
252.09375	2.6
252.59518	2.5
259.16470	1.5
267.15927	13.0
271.06024	100.0
285.16977	65.6
303.04907	7.8
309.17230	2.1
313.16391	1.5
344.05881	1.6
371.72000	1.2
375.18329	1.2
393.19327	1.3
411.20660	1.6
429.21103	4.3
447.09064	4.6
447.22241	12.8
455.00357	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2949
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
50.62903	0.6
53.03937	2.2
54.58052	0.6
55.01875	1.0
55.05515	10.8
57.03440	1.7
57.07074	0.9
58.06214	0.6
65.03929	1.6
67.05505	24.7
69.07067	7.1
69.45876	5.0
71.04980	1.5
74.44794	0.6
79.05495	22.6
81.03427	1.2
81.06586	1.4
81.07057	23.5
83.04980	2.2
83.08616	5.4
85.06529	1.3
89.03889	0.7
91.05484	32.8
93.06481	1.4
93.07045	22.5
95.04971	3.1
95.08612	16.2
97.06529	2.3
97.10154	1.7
98.21455	1.5
99.08078	0.8
103.05460	2.1
105.04549	0.7
105.07035	30.4
107.04943	2.8
107.08595	10.9
109.06525	2.8
109.10153	6.4
111.08067	1.1
115.05431	2.4
117.07021	14.2
119.08585	19.5
121.06521	2.8
121.10145	6.3
123.08091	2.0
125.09664	0.7
128.06207	3.4
129.06996	12.1
130.07817	1.0
131.08572	27.1
133.06505	2.2
133.10127	10.2
135.08051	2.4
135.11702	4.0
137.09608	1.5
141.06995	4.5
142.07785	1.6
143.08548	11.1
145.06508	2.3
145.10135	13.5
147.08067	2.0
147.11642	4.4
149.09619	1.3
151.11192	1.2
154.07820	0.7
155.08516	6.2
157.10127	8.0
159.08058	1.4
159.11722	4.8
161.09659	1.6
161.13289	1.3
167.08568	2.9
168.09346	0.9
169.10121	5.2
171.08084	0.9
171.11661	5.7
173.13263	2.5
175.11212	0.7
181.10187	2.9
183.11734	2.5
185.09615	0.7
185.13258	3.0
187.14856	1.5
189.12764	0.7
195.11690	2.2
197.13240	3.1
199.14848	2.1
201.12709	0.7
201.16273	0.8
209.11533	0.8
209.13342	2.5
211.14825	3.1
213.12752	1.2
215.14182	0.9
217.15981	0.8
219.13895	0.6
223.14816	2.1
225.16414	1.5
227.14369	1.3
229.15941	0.7
233.15425	1.2
235.14996	0.7
237.16408	1.2
241.15814	1.5
247.16946	2.7
255.17543	1.7
259.16922	1.2
269.19070	0.7
271.16965	0.7
273.18546	1.4
307.23849	0.7
325.25250	2.3
335.23843	3.7
343.26187	3.2
353.24738	11.5
371.25854	11.5
389.26855	12.8
427.28314	2.6
445.29507	100.0
446.29898	1.4
465.48843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.6
52.32349	0.4
53.03945	2.5
55.01876	2.1
55.05515	10.3
57.03431	2.0
57.07057	1.3
59.04984	0.6
63.42335	0.4
65.03918	1.5
67.05507	31.5
67.27047	0.5
69.03409	1.2
69.06729	0.7
69.07069	8.8
71.04991	1.8
71.53563	0.6
73.06557	0.5
77.03915	0.7
79.05498	25.7
81.03409	1.5
81.07062	29.4
82.13931	0.4
83.04978	1.9
83.08623	4.8
85.06533	1.4
91.05482	37.6
93.07047	26.6
95.04976	4.1
95.08611	18.5
97.02873	0.8
97.06525	3.2
97.10161	2.0
99.08110	0.6
103.05470	1.6
105.04533	1.3
105.07038	33.6
107.04964	3.2
107.08594	11.0
109.06533	3.4
109.10161	6.5
111.08097	1.4
115.05446	2.3
116.06270	0.9
117.07021	15.7
119.04980	0.5
119.08588	21.9
121.06510	3.3
121.10151	8.4
123.08053	2.1
123.11700	1.3
125.05949	0.5
125.09657	1.0
128.06213	2.7
129.07010	12.6
130.07767	1.3
131.08574	27.2
133.06505	1.7
133.10133	11.8
135.08066	2.8
135.11664	3.6
137.09607	1.2
139.11188	0.5
141.07024	4.1
142.07770	1.5
143.08568	11.8
144.09341	1.0
145.06494	1.5
145.10130	14.6
147.08057	1.9
147.11705	3.4
149.09624	2.2
149.13251	1.0
151.11218	0.7
153.06940	0.5
154.07803	0.6
155.08553	6.6
156.09396	0.6
157.08861	0.3
157.10121	8.0
159.08090	1.1
159.11699	6.6
161.09634	1.9
161.13275	2.0
163.11151	0.7
165.06964	0.5
167.08623	2.5
168.09351	0.6
169.10135	5.3
171.08034	0.7
171.11725	6.4
173.09608	1.0
173.13245	3.2
175.11237	1.1
175.14801	0.9
177.12772	0.8
181.10139	2.9
181.11586	0.4
182.10837	0.6
183.11725	3.7
185.09685	0.5
185.13264	4.2
187.11182	1.1
187.14772	2.2
191.14389	0.7
193.10266	0.7
195.11711	2.5
195.13228	0.4
197.13255	3.9
199.11165	0.9
199.14816	1.9
201.12769	1.2
203.14404	0.6
209.13243	1.9
211.14764	2.9
213.12743	1.3
213.16461	0.8
215.14363	1.3
219.13815	0.5
221.13312	0.5
221.15331	0.7
222.05219	0.5
223.14838	1.9
225.16353	1.5
227.14301	1.7
227.18022	0.8
229.15858	1.2
233.15355	1.7
235.14644	0.5
235.16873	0.6
237.16354	1.3
241.15968	1.0
243.17448	0.6
245.15456	0.6
247.16905	2.4
255.17467	1.1
259.17065	1.6
261.18512	1.7
269.19287	0.6
271.16910	0.5
273.18472	1.3
287.20197	0.6
287.88913	0.5
311.19955	0.5
325.25262	3.0
335.23602	3.9
343.26389	3.3
353.24719	12.6
371.25818	13.4
389.26862	14.4
389.31802	1.0
427.28470	1.8
445.29504	100.0
446.29932	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	445.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01860	2.2
55.05509	10.3
57.03433	2.0
57.07080	0.8
65.03934	1.3
67.05505	24.2
69.03442	1.4
69.07069	7.5
71.04980	2.0
71.54459	1.2
73.06530	0.6
79.05495	23.0
79.71326	0.6
80.66592	0.6
81.03403	1.2
81.07055	26.8
83.04970	2.4
83.08630	3.9
85.06573	1.3
91.05479	33.8
93.07047	21.6
93.07645	1.4
95.04957	3.7
95.08614	16.0
97.02895	0.8
97.06522	3.3
97.10176	2.4
99.08099	0.7
103.05466	1.5
105.03397	0.9
105.04505	1.0
105.07033	28.5
107.04934	3.3
107.08594	11.3
109.06548	3.3
109.10159	6.1
111.04461	0.7
111.08105	1.7
115.05444	2.4
117.07019	16.7
118.91056	0.6
119.04942	0.6
119.08584	17.7
121.06506	2.7
121.10147	6.3
123.08044	1.8
123.11693	1.4
125.09600	1.4
128.06218	3.5
129.07001	11.1
130.07803	1.0
131.08569	25.5
131.09540	1.4
133.06512	1.3
133.10118	9.6
135.08066	2.1
135.11664	3.9
137.09637	1.7
141.06981	2.8
142.07767	1.4
143.08577	10.9
144.09308	0.8
145.06488	2.2
145.10127	13.8
145.11282	0.7
147.08076	2.4
147.11662	4.4
149.09657	1.4
149.13350	0.8
151.11206	0.9
153.12720	0.6
154.07826	0.8
155.08543	6.3
155.49539	0.6
157.06444	0.7
157.10156	7.2
159.08073	1.6
159.11700	5.3
161.09653	1.2
161.13232	1.4
163.11162	0.7
167.08578	1.8
168.09254	0.7
169.10147	5.1
169.81935	0.6
169.94978	0.7
171.11673	6.3
173.09627	1.3
173.13264	2.2
175.11194	1.3
181.10132	2.7
181.74484	0.6
183.10263	0.7
183.11688	2.1
185.09621	0.9
185.13255	3.8
187.11246	1.0
187.14850	2.0
195.11714	2.8
197.13214	3.5
199.11263	1.4
199.14894	1.7
201.12817	1.0
201.16351	1.2
203.14334	0.9
205.15759	0.6
209.13254	2.1
211.14777	1.4
213.12799	1.0
213.16357	0.9
215.14444	0.8
216.28571	0.7
217.15860	0.6
223.14880	2.0
225.16451	1.0
227.14458	0.9
227.17888	0.8
229.15927	0.8
233.15411	1.5
235.14946	0.8
241.15871	1.9
247.17027	2.0
251.17976	0.7
255.17519	1.3
259.17026	1.2
261.18637	1.1
273.18582	0.9
295.80823	0.7
325.25281	2.8
335.23615	3.7
343.26337	3.7
347.22412	0.8
353.24701	10.4
354.24457	0.7
362.27502	0.7
371.25781	12.9
389.26865	13.9
427.28455	2.9
445.29498	100.0
446.29959	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2952
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
53.03949	2.7
55.01869	1.9
55.05515	12.1
57.03428	2.4
57.07070	1.2
58.49122	0.8
65.03937	2.2
67.02666	0.7
67.05510	31.3
69.03445	1.8
69.07075	9.6
69.34641	6.3
71.04997	2.8
75.85617	0.7
79.05500	26.4
81.03423	2.3
81.06585	1.6
81.07063	28.0
83.04983	2.3
83.08614	5.0
85.06544	1.2
91.05484	36.8
93.07049	25.7
95.04964	4.0
95.08617	17.1
97.06560	3.3
97.10193	1.8
99.08100	1.2
103.05508	1.8
105.04561	0.9
105.07039	34.0
107.04958	3.2
107.08606	11.1
109.06545	3.0
109.10172	5.8
111.08109	1.7
115.05459	1.8
117.07027	17.4
118.87878	0.8
119.08591	21.5
121.06527	3.3
121.10139	8.3
123.08092	2.7
123.11717	1.4
125.09667	1.8
127.03909	1.1
128.06232	1.9
129.07010	12.4
131.08577	27.6
133.06503	1.7
133.10141	11.9
135.08096	2.2
135.11729	2.8
137.09641	1.2
141.06941	4.1
142.07787	1.8
143.08575	11.9
145.06528	2.7
145.10130	16.0
147.08076	2.7
147.11699	4.9
149.09642	1.8
149.13271	1.7
153.07011	1.0
155.08569	7.4
157.06528	1.0
157.10146	8.8
159.08080	2.2
159.11731	6.7
161.09590	1.0
161.13254	1.8
163.11301	1.3
165.07018	0.8
167.08615	2.4
168.09341	1.3
169.10138	6.1
171.08156	1.2
171.11679	5.3
173.13295	3.5
175.11160	1.5
177.12801	1.7
181.10188	2.6
183.11714	3.3
185.13289	2.7
187.14850	2.3
189.12695	1.4
191.14276	0.9
193.10329	1.1
195.11723	2.7
197.13327	3.6
199.14914	1.8
201.12762	1.4
203.14427	1.2
209.13304	1.8
210.13937	0.9
211.14941	2.5
215.14403	0.9
221.15503	0.7
223.14871	1.8
227.14285	1.3
229.15889	1.1
233.15338	1.3
237.16391	1.7
241.15892	1.8
245.15480	1.1
247.16934	1.6
248.00565	0.8
255.17621	0.8
259.17004	1.1
261.18649	1.7
273.18460	1.0
294.02664	0.8
307.24576	0.9
325.25305	2.2
335.23718	3.8
343.26523	3.7
353.24738	12.3
355.45535	0.8
359.02762	0.7
365.76511	0.8
371.25815	12.4
389.26926	12.4
427.28363	2.8
445.29550	100.0
446.29922	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	443.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	0.5
56.96564	0.8
60.05654	5.6
67.05487	0.5
69.07069	8.3
70.06210	1.0
70.06594	18.7
71.54547	1.0
72.08148	1.3
83.81232	0.6
85.02916	0.6
86.09709	91.1
90.55516	0.5
97.07650	0.7
98.97559	1.4
102.78725	0.5
112.08736	3.5
114.10312	0.8
115.08690	3.6
116.07092	8.2
128.10725	15.8
128.11728	0.7
130.09792	3.3
133.09764	1.0
143.07115	0.5
143.08247	0.6
153.01788	1.0
156.10193	1.6
156.11324	9.6
157.10823	0.7
158.09259	6.6
159.11641	0.6
163.11226	0.9
175.11900	17.2
178.44019	0.4
269.18658	0.8
271.17667	8.2
281.10736	1.3
288.20499	0.8
299.11618	4.2
302.70386	0.6
317.12592	1.0
323.11710	0.9
341.12714	0.8
425.28867	0.7
443.16742	5.4
443.29797	100.0
444.30020	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
56.05048	0.5
61.76764	0.3
67.05503	0.4
70.06596	0.4
71.04553	0.6
72.04520	0.5
73.04771	0.7
74.00672	0.6
76.03993	0.9
81.05809	0.3
84.04050	0.6
84.04519	6.8
84.04984	0.2
85.04036	1.4
93.05779	0.8
94.06590	1.7
97.01118	0.5
98.00597	0.4
99.02699	1.7
99.05573	0.7
106.06568	0.7
108.08152	1.5
109.08930	0.7
110.06063	0.9
110.09666	0.7
111.02648	0.7
112.02176	0.5
113.03523	0.5
113.04216	0.6
118.06535	0.7
119.07330	1.0
120.08075	0.7
121.02840	0.9
122.06047	5.3
125.02966	0.6
126.03741	1.5
127.02148	0.8
127.04472	0.4
130.05003	3.3
131.04872	1.2
135.02664	0.5
136.07603	0.9
137.08374	36.4
138.08151	0.5
138.09163	7.6
139.05714	0.4
140.10706	1.4
142.06935	0.9
145.06078	0.4
152.05310	4.2
153.01869	0.8
153.06526	0.5
154.52016	0.3
168.04770	0.4
170.06367	100.0
172.07945	1.8
177.03307	4.4
181.06235	0.5
185.03772	1.6
196.07944	9.7
198.36409	0.3
206.06445	1.1
206.11848	0.4
213.10597	2.1
215.72498	0.3
223.08963	2.0
224.07423	11.4
231.04373	5.2
241.10074	5.7
261.03824	0.3
279.11725	1.7
283.06027	2.8
288.06671	0.6
294.05338	0.6
306.07623	0.6
307.06015	0.7
316.13293	9.6
325.06912	1.0
337.07114	1.3
352.13144	0.8
355.08145	0.4
359.02692	0.4
370.14423	1.1
412.20938	0.4
427.10202	0.5
445.11575	0.6
445.17651	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	443.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01882	3.5
55.05508	5.8
56.00903	1.7
61.67620	1.4
65.03946	3.3
67.05517	9.1
69.03439	9.4
69.07072	24.4
69.70410	1.7
69.92735	7.7
71.04984	5.1
79.01836	2.1
79.05502	16.4
81.03429	3.0
81.07051	8.8
83.04984	61.4
85.02931	2.8
85.06545	3.7
86.09718	3.4
91.05478	13.2
93.07043	14.8
95.04975	11.8
95.08609	4.6
97.02885	3.6
97.06539	44.2
98.20865	2.1
99.04454	8.4
101.06060	2.3
105.07040	43.6
107.04963	10.7
107.08598	10.3
109.06525	10.1
111.04424	2.7
111.14124	1.6
113.05982	2.4
115.05428	2.9
117.07028	7.2
119.04926	2.5
119.08598	10.0
121.06509	28.3
121.10133	2.5
123.04435	100.0
125.05997	82.0
127.03912	1.9
128.06244	2.5
129.06995	6.4
129.10277	1.5
130.07771	3.8
131.08592	15.0
133.06476	8.6
133.10129	4.3
135.08110	3.1
135.11667	4.0
137.05988	4.7
139.02811	2.8
139.03905	54.0
141.07008	2.2
143.03419	4.1
143.07045	42.3
143.08565	4.4
144.08084	1.9
144.09286	4.1
145.06503	6.7
145.10130	69.8
146.07288	1.7
147.04387	5.6
147.11646	2.8
151.03972	10.6
151.07561	8.9
153.01839	56.3
153.02888	3.0
153.06958	2.0
154.07841	3.4
155.08588	2.6
158.07295	6.4
159.08067	5.6
159.11693	25.1
163.07471	2.9
163.11180	17.0
165.05446	4.8
169.10129	6.9
171.11763	2.5
172.08884	3.7
173.09634	52.9
177.12753	16.4
187.11188	45.7
189.05490	2.0
189.09244	2.0
189.12721	3.5
191.10696	15.7
197.09657	5.4
205.12245	30.9
209.11624	2.0
213.08276	2.0
215.10657	45.0
233.11702	24.3
251.12840	6.9
273.07553	2.5
291.08752	5.4
311.05579	2.4
443.17624	3.0
443.23190	2.5
447.08011	1.8
448.99350	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2791
Annotation	Amentol
Peak:m/z	Relative Intensity
53.03949	2.8
55.01870	2.8
55.05275	0.6
55.05518	10.4
57.03436	2.7
57.07102	0.5
65.03952	1.8
67.05511	22.2
69.03432	0.7
69.07073	8.7
71.04991	1.9
74.46988	0.6
78.53647	0.5
79.05499	18.6
81.03401	1.1
81.06589	1.0
81.07063	21.0
81.73485	0.5
83.04987	2.0
83.08636	4.6
85.02883	0.6
85.06539	1.7
91.05488	25.7
92.05830	0.6
92.39397	0.6
93.07050	14.2
95.04968	4.6
95.08616	13.4
97.06532	2.9
97.10162	2.5
99.08106	1.2
100.00692	0.6
103.05487	1.6
105.04504	1.0
105.07040	17.8
107.04968	2.3
107.08607	6.1
109.06532	4.0
109.10151	5.2
111.08092	1.4
115.05453	3.4
116.06210	0.7
116.24108	0.5
117.07030	15.8
119.04945	0.8
119.08586	10.3
121.06500	3.5
121.10159	3.9
121.71576	0.6
123.08090	2.9
123.11716	1.1
128.06232	6.2
129.07010	22.3
131.04942	0.7
131.08574	20.4
133.06456	3.2
133.10135	6.6
135.08081	3.6
135.11697	1.9
137.05960	0.6
137.09657	2.0
141.07004	9.1
141.09125	0.7
142.07813	3.1
143.08571	18.6
145.06485	4.2
145.10124	9.4
147.08044	3.6
147.11682	1.9
149.09628	2.3
149.13330	0.8
151.07562	2.3
151.11183	0.8
153.06985	1.8
154.07799	2.0
155.08568	15.0
156.09283	1.0
156.92929	0.5
157.06496	1.4
157.10136	9.7
158.84927	0.5
159.08044	2.7
159.11726	4.2
161.09613	2.4
161.13249	0.8
163.11220	1.3
165.07007	2.3
165.09160	0.6
166.07790	1.6
167.08569	6.6
168.09375	1.2
169.10153	9.5
171.06685	0.7
171.08017	2.6
171.11687	6.7
173.09647	2.5
173.13275	1.8
175.11220	1.7
177.09113	0.8
177.12825	0.9
178.07809	1.1
179.08569	4.0
180.09367	1.1
181.10147	7.6
182.10847	0.8
183.11699	6.5
185.09653	1.9
185.13310	3.9
187.11259	1.3
187.14841	0.8
189.12794	0.8
191.08662	0.6
191.10666	1.1
193.10179	1.7
194.10962	0.9
195.11690	6.4
197.09602	1.0
197.13181	3.5
199.11214	1.8
199.14897	1.9
201.12802	1.0
203.14310	0.8
205.12157	0.7
207.11765	2.1
209.13307	4.5
211.11223	2.2
211.14870	2.2
213.12796	3.1
213.16507	0.9
215.14365	1.2
217.15871	1.1
219.11842	1.1
221.13249	3.7
223.14896	3.5
225.12714	1.7
225.16414	1.8
227.14381	1.7
229.15805	0.8
231.13907	1.0
233.13324	0.7
235.14832	2.8
237.16370	1.2
239.14334	2.8
241.15848	1.3
243.13852	0.7
249.16394	0.8
253.15846	2.0
257.15436	1.6
259.16992	1.4
267.17377	0.7
271.16971	2.0
273.18616	0.7
299.58789	0.6
305.22830	0.9
314.29471	0.6
315.21304	0.8
323.23752	3.7
329.25098	0.9
331.19208	0.8
333.22220	4.4
341.24838	3.6
345.20721	1.0
351.19800	0.4
351.23193	18.5
369.24286	22.5
387.25327	10.1
407.25760	1.1
415.28394	1.1
425.26813	5.4
443.27951	100.0
444.28079	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	443.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49446	1.8
51.61411	1.6
53.03941	2.8
54.77208	1.8
55.01870	6.7
55.05507	8.3
63.31769	1.7
65.03949	3.0
66.87466	1.9
67.05508	8.3
69.03424	8.7
69.07069	22.8
69.93516	8.0
70.06596	4.0
70.74428	1.7
71.04985	7.5
72.17604	1.9
79.05506	24.8
81.03411	2.6
81.07063	21.5
83.04986	32.1
85.02898	6.6
85.10551	2.0
91.05494	16.6
92.81300	2.0
93.03423	2.2
93.07042	28.4
95.04964	15.7
95.08617	14.8
97.02923	5.0
97.06531	36.8
99.04446	11.9
103.05499	2.0
105.07037	41.3
107.04961	20.8
107.08617	18.6
109.06505	12.4
109.10158	4.1
111.04469	4.9
111.08121	3.0
115.05486	3.3
115.07536	2.2
117.07032	9.5
119.04958	8.1
119.08581	11.3
121.02876	2.4
121.06502	30.6
121.10155	8.5
123.04431	3.7
123.08128	2.3
125.06013	44.4
127.03879	2.9
127.07608	2.1
128.06241	3.7
129.06999	7.0
130.07788	5.0
131.08557	12.8
133.06508	5.5
133.10150	6.0
135.04451	2.5
135.08058	6.2
135.11699	14.6
137.06020	11.4
137.06966	2.1
139.03911	4.6
139.07550	5.8
141.06956	2.4
143.07053	19.7
143.08543	7.0
144.09337	3.5
145.06528	8.1
145.10135	74.1
147.08051	5.2
147.11684	13.7
149.05949	1.9
149.09680	2.7
149.13223	2.3
151.07510	2.9
153.01828	7.7
154.07782	4.2
155.07124	2.1
155.08492	4.3
157.08656	4.4
157.10133	3.5
158.07301	6.5
159.08069	5.0
159.11693	28.3
161.09671	2.2
163.11189	100.0
169.10162	5.6
171.08076	2.3
171.11739	2.8
172.08879	4.2
173.09645	72.5
177.12740	5.4
179.08546	2.7
181.12247	17.7
182.07329	2.8
187.11201	45.4
189.12749	4.9
191.10686	31.1
196.73846	2.3
197.09657	9.0
205.12250	30.5
209.11792	6.7
215.10678	54.5
227.12820	13.3
233.11751	57.2
251.12801	43.7
269.13824	5.2
338.39505	2.1
407.16989	7.1
443.13950	3.1
443.22778	4.5
465.09860	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	443.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11685	0.5
53.58662	0.5
54.03471	3.0
55.01885	0.8
55.04255	3.4
56.96574	1.2
69.03432	1.6
70.02967	0.6
71.02415	0.6
71.02769	1.0
79.05478	0.6
81.04554	18.8
82.05337	8.6
85.02924	2.7
97.02895	1.2
98.97575	2.6
103.08348	0.6
108.05632	0.6
116.98608	0.9
119.04964	1.1
122.07172	96.5
123.07954	90.7
124.07581	1.3
127.03909	0.8
139.03922	5.9
144.04825	1.3
147.04437	2.0
148.04707	0.8
153.06606	0.5
158.99663	0.7
160.04309	2.4
161.01314	0.5
163.03960	1.4
165.07780	3.6
172.04240	1.2
177.00793	0.8
177.05429	0.5
179.03450	0.7
191.03433	1.1
203.03441	0.9
221.04898	1.0
224.33794	0.6
237.02873	0.7
245.04495	0.8
257.04434	0.9
269.05527	0.8
275.05447	1.4
281.10718	59.2
287.05554	1.3
299.05740	0.9
323.11789	0.6
360.99554	0.8
425.06479	0.9
443.16049	100.0
444.16278	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	443.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35272	0.5
67.05492	1.3
71.34246	1.0
73.21239	0.5
79.05482	0.9
81.07060	1.3
85.02904	0.8
85.23108	0.4
90.51075	0.5
91.05496	0.7
93.07039	0.9
95.08593	1.1
97.02880	0.9
104.90272	0.5
105.07011	1.2
107.08593	1.0
109.10183	0.7
110.57704	0.5
119.38618	0.5
124.06031	0.5
131.08551	0.9
145.09990	0.6
165.09207	0.6
185.04230	0.8
195.13626	2.6
223.13034	1.0
227.05232	0.6
294.74112	0.5
336.81012	0.5
351.23245	0.9
357.18839	10.5
381.19067	0.9
399.19916	29.5
443.18900	100.0
444.19083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
53.20163	1.8
55.01865	3.9
55.05500	4.1
59.95751	1.5
60.71789	1.4
65.03925	3.6
67.05510	25.5
68.67219	1.4
69.03423	5.0
69.07054	6.0
71.04999	7.9
71.53595	2.3
77.77274	1.5
78.77726	1.5
79.05502	14.7
81.03416	2.1
81.07061	36.0
83.04989	12.8
85.02913	3.1
85.06080	1.9
85.06551	20.0
91.05489	12.4
93.03410	3.7
93.07049	18.2
95.04976	43.4
95.08609	3.5
97.02905	2.4
97.06541	19.9
99.04426	8.7
100.67352	1.4
105.06392	2.5
105.07037	28.3
107.04956	4.8
107.08609	12.1
109.02829	1.8
109.05809	2.5
109.06526	36.3
111.04445	11.6
111.08052	5.4
113.06009	3.9
117.07007	5.1
119.04938	4.3
119.08590	12.3
121.06516	11.9
121.10146	8.8
123.04438	15.3
125.06007	13.2
127.07554	22.6
129.07028	3.5
130.07721	2.9
131.08574	12.0
133.06491	4.9
133.10139	2.5
135.08014	2.5
135.11664	3.2
137.05991	43.2
139.03889	4.2
141.05515	3.5
141.07030	2.0
143.07062	8.9
143.08539	5.6
144.09349	3.6
145.06485	3.8
145.10138	44.0
147.11722	3.3
149.05809	1.9
149.09602	5.5
151.07568	5.2
152.63312	1.6
153.05504	7.9
154.07698	2.3
155.07039	4.2
155.08536	1.6
157.10056	2.4
159.08052	3.3
159.11693	14.6
161.09612	1.6
163.11200	21.8
169.10091	7.5
171.08015	2.5
171.11732	1.9
173.08284	2.4
173.09659	21.6
177.12733	1.8
187.11174	45.7
189.12741	2.7
191.10678	27.7
197.09685	5.4
205.10439	3.1
205.12250	36.5
207.13736	2.2
209.11729	40.0
215.10669	34.4
223.13260	7.2
233.11729	37.1
251.12810	100.0
269.13864	24.9
363.51486	1.7
407.16904	3.0
425.17990	6.9
443.13397	2.0
443.18634	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	442.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05826	0.6
58.37805	0.5
64.33993	0.5
69.03437	0.7
69.07076	7.8
69.15788	6.3
70.86666	0.5
85.02924	0.9
86.09718	100.0
105.07037	0.7
119.05008	0.8
122.09675	1.1
126.06572	0.6
135.10249	0.5
136.06230	1.0
139.03917	1.7
146.11781	76.4
147.04433	3.4
150.05525	1.0
151.05922	0.7
163.03925	0.7
251.88660	0.6
272.39767	0.6
316.04007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
56.96568	3.7
65.03931	1.6
68.99797	4.7
69.03429	0.9
71.52805	0.8
73.41028	0.8
79.05514	0.6
81.03443	0.7
84.96036	1.4
85.02908	1.7
91.05493	2.2
93.03407	0.6
95.04984	0.8
96.33843	0.6
97.02869	1.0
98.97607	5.8
110.97588	0.9
111.00806	2.1
111.04459	3.5
116.98611	2.3
119.04929	2.0
120.08111	1.9
121.02860	3.2
121.08413	0.7
122.07165	1.9
123.04447	3.9
123.07938	1.5
127.03931	3.8
128.98619	1.5
131.04948	0.7
133.02884	1.2
133.04166	0.6
134.99638	0.7
135.04414	2.5
137.02284	0.7
137.06038	0.9
139.03912	100.0
140.04225	0.7
143.00160	2.6
147.04410	7.0
149.02408	1.2
149.06003	1.1
151.03926	8.1
155.04927	1.1
158.99670	1.8
159.04498	0.9
161.01228	1.2
161.06027	1.3
163.03931	6.4
165.05513	3.5
166.08664	1.2
167.03413	8.2
175.03972	4.1
177.00734	1.0
177.05493	3.5
179.03419	10.2
181.04961	1.6
183.04395	0.9
185.05968	1.3
187.03937	1.5
189.05502	2.5
191.03430	15.3
193.04999	4.3
196.10199	0.7
197.06062	0.9
199.04071	0.9
201.00691	1.2
201.05490	4.8
203.03418	13.1
203.05212	0.9
205.04988	3.2
211.03865	1.4
213.05460	5.3
215.03432	2.0
217.05000	3.1
219.01715	2.1
221.04982	1.9
225.05475	0.9
229.05013	9.5
230.05690	0.7
231.06602	4.0
233.04539	7.9
237.02808	1.4
241.05061	0.9
245.04500	9.4
251.04958	1.5
253.04817	0.9
257.04477	18.7
258.04980	0.8
259.06052	1.4
262.02850	0.7
263.05548	5.3
269.05527	5.4
271.05978	1.7
275.05518	25.5
281.03964	0.6
281.07068	0.9
281.10773	0.8
287.05539	31.1
299.05533	19.9
311.06305	0.8
317.06558	11.1
319.07108	0.7
348.65500	0.7
407.07770	0.9
425.09274	13.3
443.09967	2.3
443.16537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05505	2.9
57.07061	1.1
67.05505	7.3
69.07069	10.1
69.68710	3.9
79.05504	4.1
81.07057	20.7
83.04998	0.7
83.08614	2.2
91.05482	2.4
93.07051	9.9
95.04987	0.6
95.08611	20.7
97.10157	1.5
98.21453	0.8
105.07028	3.8
107.08596	8.6
109.06494	0.8
109.10159	31.8
111.11732	2.1
119.08578	5.5
121.06523	0.9
121.10149	27.6
123.08096	0.8
123.11723	7.2
125.09666	0.6
127.55964	0.7
133.10155	1.9
135.08047	4.8
135.11676	6.7
137.09660	2.6
137.13246	4.8
139.07552	1.8
139.11156	0.7
145.10048	1.5
147.07954	0.8
147.11697	3.3
149.09621	2.0
149.13266	5.9
151.07597	0.9
151.14812	0.8
159.11697	2.4
161.09654	1.6
161.13290	2.7
163.07571	2.5
163.11154	0.8
163.14801	5.0
165.09109	20.6
165.10535	1.1
171.11728	0.8
173.13199	1.6
175.14841	3.8
177.16415	2.1
181.08691	1.1
185.13228	0.8
187.14850	1.8
189.12793	1.9
189.16415	2.0
191.10597	0.6
191.18007	1.0
201.16344	1.2
203.14331	4.4
203.18001	1.2
205.12312	2.9
205.15926	1.8
205.19534	3.1
213.16409	0.8
215.18001	1.2
217.16086	0.9
219.21173	1.0
231.21039	0.9
259.16876	0.7
287.23773	1.0
405.35248	1.2
423.31653	0.9
423.36560	1.7
441.37344	100.0
442.37646	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	441.3728
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.52245	0.4
55.05503	1.6
57.07080	1.0
67.05519	2.8
69.03427	0.5
69.07069	4.6
70.72770	0.6
70.73082	0.6
71.08624	0.5
79.05495	1.7
81.07066	7.4
83.04993	1.3
83.08618	2.0
90.87625	0.4
91.05489	2.2
93.07047	4.4
95.08612	13.0
97.06538	0.6
97.10152	1.1
105.07029	5.0
107.08608	8.7
109.06546	0.5
109.10174	8.8
111.08120	1.0
111.11735	1.3
119.08582	6.7
121.06491	0.7
121.10148	7.4
123.08099	1.0
123.11707	4.2
125.09645	0.6
125.13311	0.7
127.43271	0.5
131.08620	1.3
133.10138	7.1
135.08084	2.2
135.11708	6.2
136.22943	0.4
137.09624	0.9
137.13257	2.5
139.11296	0.5
145.10146	2.5
145.11142	0.4
147.11694	5.9
149.09631	7.8
149.10759	0.6
149.13277	3.0
151.11203	0.6
151.14792	0.6
157.10197	0.7
159.11668	2.2
160.93991	0.5
161.09605	0.5
161.13275	3.0
163.11209	1.3
163.14854	1.6
165.09082	0.7
171.11769	0.6
173.13307	1.7
175.11131	0.4
175.14804	2.0
177.12798	0.8
177.16429	2.1
179.14337	1.2
185.13275	0.6
187.14839	1.3
189.16385	8.3
191.14339	0.7
191.17882	2.6
201.16425	1.2
203.17976	1.1
203.53706	0.4
205.15840	0.5
205.19537	1.3
213.16505	0.7
215.17886	2.0
217.15869	0.6
219.17491	0.7
220.02162	0.4
221.15558	0.4
227.18065	0.5
229.19569	0.7
231.17381	0.9
233.19069	1.9
235.16940	21.2
241.19598	0.4
245.19124	0.7
247.20715	0.7
269.22522	0.6
284.84708	0.5
285.22113	0.7
287.23712	5.2
351.05289	0.5
377.18225	0.4
405.35330	0.9
423.36154	2.8
441.37329	100.0
442.37717	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05503	1.8
57.07068	0.6
67.05500	3.4
69.07076	3.3
70.83835	0.9
70.84168	0.6
79.05520	1.0
81.07056	6.6
83.04993	0.7
83.08629	1.9
91.05506	1.0
93.07041	3.7
95.08612	9.4
97.10136	0.7
105.07052	1.6
107.08601	6.5
109.10163	10.4
111.08112	0.9
113.97788	0.5
119.08580	2.1
120.06477	0.4
121.10140	7.0
123.08112	1.0
123.11722	10.6
125.09617	0.6
133.10143	2.7
134.99954	0.4
135.08090	1.5
135.11702	4.0
137.09601	0.8
137.13260	2.7
139.44542	0.5
145.10085	1.1
147.11737	1.1
147.31171	0.5
149.09612	2.0
149.13266	3.9
150.19093	0.4
151.11169	1.7
159.11682	1.4
161.09651	0.8
161.13257	1.0
163.11192	1.1
163.14871	1.2
165.09128	1.4
166.23553	0.6
171.11761	1.2
173.13258	1.6
175.11232	0.7
175.14780	1.5
177.12700	0.5
177.16388	0.8
185.13124	0.6
187.14777	1.1
189.12749	0.6
189.16425	1.1
199.14917	0.8
203.14357	1.8
203.17950	1.0
205.15997	0.6
225.16316	0.6
257.22833	0.6
277.21423	0.6
287.23761	2.6
301.25330	4.2
423.36282	1.0
441.37326	100.0
442.37643	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03943	1.8
55.05502	4.5
57.07077	1.9
59.70653	1.1
64.74898	1.0
67.05499	10.9
69.07078	11.3
70.68716	2.0
70.69022	1.2
74.30677	1.1
76.08501	1.1
79.05502	16.0
81.07058	27.4
83.08626	3.6
84.21604	1.1
91.05479	9.2
93.06482	2.1
93.07050	34.8
95.04967	1.6
95.08614	51.4
97.10141	1.5
105.07037	13.2
107.04964	1.8
107.08603	24.3
109.10162	45.3
111.08115	1.3
111.11708	4.4
119.08601	5.9
119.48119	1.4
121.06529	1.2
121.10152	56.6
123.08103	1.4
123.11712	21.7
131.08591	3.2
133.06459	1.2
133.10103	3.0
135.08096	1.7
135.11693	11.3
137.13290	5.9
139.11198	4.9
145.10150	2.6
147.11670	3.0
149.09628	100.0
149.13258	19.0
151.11180	11.0
159.11635	1.8
161.13324	1.8
163.11174	5.8
163.14839	15.5
167.10715	9.4
175.11096	1.3
177.12772	4.9
177.16431	2.5
185.34760	1.2
187.14861	3.3
189.12714	1.2
189.16414	2.1
191.17989	1.4
194.74973	1.3
201.16428	2.4
203.14366	2.8
204.64963	1.3
205.15910	25.8
205.19511	10.6
215.17969	2.0
217.15869	1.6
217.19589	1.5
219.17580	7.5
219.21085	24.0
231.17357	1.4
233.18983	1.6
313.25208	1.3
405.35132	2.2
423.36237	47.5
424.36139	1.6
441.37323	72.9
442.37744	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	441.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01860	3.2
55.05516	7.6
57.03426	1.8
67.05505	10.0
69.07063	3.9
70.79717	1.7
70.80088	1.5
71.04988	1.4
79.05499	11.0
81.07057	11.5
83.08622	3.1
91.05488	5.5
93.07034	6.5
95.04966	1.4
95.08604	7.3
97.06517	1.1
97.10178	3.4
105.07044	6.8
107.04943	1.6
107.08608	5.8
109.10181	3.5
115.05450	1.5
115.84261	0.8
117.07018	4.4
119.08572	3.0
121.06493	7.0
121.10159	3.2
123.08078	1.3
124.10474	0.7
125.09628	1.6
128.06198	2.4
129.07004	9.7
131.04935	6.7
131.08588	6.3
133.06494	4.0
133.10153	1.4
135.08061	1.0
135.11687	0.9
137.09618	1.6
139.03908	1.5
139.80070	0.8
141.06998	4.4
143.08568	8.8
144.05702	2.4
145.06487	59.0
145.10133	2.2
147.08037	3.9
147.11719	1.1
149.09621	1.3
153.06947	1.0
155.08568	4.6
157.06502	7.3
157.10118	2.8
159.04424	1.0
159.08086	6.9
161.05978	4.5
161.09685	0.9
165.07034	1.8
165.09119	8.5
167.08597	3.1
169.06497	6.2
169.10138	3.3
170.07094	1.0
171.08058	11.9
173.09621	1.4
179.08589	1.8
181.06535	2.4
181.10132	1.8
182.07323	1.1
182.11012	0.8
183.08047	5.5
183.11723	1.7
184.08873	0.9
185.09599	6.5
185.13229	1.4
187.11211	1.0
193.10199	1.4
195.08054	5.1
195.11665	9.2
197.09637	3.4
197.13298	3.9
199.07605	0.8
199.11269	1.6
203.14343	0.9
205.10048	1.1
205.12218	0.8
207.08136	0.9
207.11827	1.1
208.08846	0.7
209.09656	2.2
209.13274	2.2
211.11195	3.8
213.12741	2.1
219.11641	1.4
221.13214	1.4
223.11205	2.2
225.12750	3.3
227.14305	6.9
233.09839	0.7
235.11203	2.6
237.12750	7.6
239.14317	2.4
243.13870	1.9
249.12758	1.3
251.14236	1.5
253.12675	0.7
253.15829	1.0
255.13808	11.8
257.15350	1.2
273.14865	23.3
281.15430	2.2
283.17017	2.4
287.16449	1.3
293.15329	1.3
295.16876	1.3
297.18549	1.0
299.16437	1.6
311.16412	3.3
313.17944	1.3
321.22064	1.5
325.17999	2.0
331.20685	1.6
339.23145	5.8
349.21594	21.0
359.83661	0.8
367.22684	41.5
377.24805	2.1
385.23706	6.0
387.23157	2.5
395.25903	1.3
405.24234	9.6
423.25620	4.7
441.26382	100.0
442.26691	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3731
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05490	13.1
57.07079	7.6
67.05508	24.9
69.07069	32.7
71.08633	6.6
71.18556	4.9
71.18873	6.4
78.73908	4.0
79.05486	8.1
81.07058	49.8
83.08617	13.9
87.04450	4.8
90.04156	3.5
91.05475	10.2
93.07048	34.4
95.08612	100.0
97.10181	6.1
105.07011	19.4
107.08609	45.7
109.10162	93.2
111.11718	12.7
111.36028	4.1
119.08588	38.4
121.06489	5.2
121.10159	67.5
123.11740	34.7
131.08549	8.5
133.10146	24.7
135.11711	27.8
137.13240	14.9
143.08629	4.0
145.10114	13.7
147.11674	13.4
149.09576	4.3
149.13310	19.7
157.10040	5.3
159.11697	18.4
161.13260	12.1
163.14804	11.2
171.11740	8.7
173.13243	11.6
175.14787	12.1
177.12732	3.9
177.16382	11.7
183.11702	5.0
187.14807	16.0
189.16444	11.8
191.17928	14.1
199.14833	6.6
203.18011	12.7
205.16029	5.1
205.19534	20.3
213.16292	10.1
215.17905	5.1
217.15878	4.6
217.19514	13.8
219.17572	4.8
219.20993	5.2
222.19525	4.5
223.17082	4.2
231.17439	6.1
231.21133	15.3
235.16898	10.5
257.22708	5.3
393.91898	4.9
405.35159	46.6
423.36331	43.1
441.31540	4.0
441.37567	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2461
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
50.75278	0.3
53.09066	0.3
55.05492	0.3
67.05492	0.5
69.03419	0.3
69.07066	0.4
69.52386	0.9
69.52818	1.1
79.05488	0.4
81.03356	0.3
81.07049	0.6
85.02880	0.3
91.05448	0.4
93.07030	0.6
95.04981	0.3
95.08548	0.4
96.70525	0.3
97.02858	0.4
97.10165	0.3
105.06990	0.7
107.08589	0.3
109.10138	0.4
119.08564	0.7
121.10126	0.4
133.10092	0.3
139.03886	0.3
147.04391	0.4
147.11717	0.4
147.49809	0.3
149.09589	0.3
153.01836	0.6
159.08040	0.4
165.09122	0.5
171.11572	0.3
178.24838	0.3
203.05238	1.6
221.75591	0.3
245.06281	0.5
261.18341	2.3
271.06018	0.4
315.27338	0.3
355.17505	0.7
357.07996	0.5
397.18347	2.1
423.12964	0.6
423.23749	0.5
441.17593	10.5
441.24570	100.0
442.25204	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75278	0.3
53.09066	0.3
55.05492	0.3
67.05492	0.5
69.03419	0.3
69.07066	0.4
69.52386	0.9
69.52818	1.1
79.05488	0.4
81.03356	0.3
81.07049	0.6
85.02880	0.3
91.05448	0.4
93.07030	0.6
95.04981	0.3
95.08548	0.4
96.70525	0.3
97.02858	0.4
97.10165	0.3
105.06990	0.7
107.08589	0.3
109.10138	0.4
119.08564	0.7
121.10126	0.4
133.10092	0.3
139.03886	0.3
147.04391	0.4
147.11717	0.4
147.49809	0.3
149.09589	0.3
153.01836	0.6
159.08040	0.4
165.09122	0.5
171.11572	0.3
178.24838	0.3
203.05238	1.6
221.75591	0.3
245.06281	0.5
261.18341	2.3
271.06018	0.4
315.27338	0.3
355.17505	0.7
357.07996	0.5
397.18347	2.1
423.12964	0.6
423.23749	0.5
441.17593	10.5
441.24570	100.0
442.25204	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31580	1.0
56.96561	12.8
57.21851	0.9
57.58023	0.9
69.03432	1.2
69.81509	5.4
83.30791	1.0
84.96033	6.5
85.02914	2.7
97.02899	1.2
98.97588	100.0
110.97574	38.8
110.98344	2.0
112.99079	2.4
113.82114	1.0
116.98625	24.7
119.04980	1.3
124.99126	5.6
127.00639	1.1
128.98607	17.9
131.00153	1.3
134.99602	2.2
140.98601	9.0
143.00172	15.5
145.01730	1.2
146.08092	1.3
146.99655	4.1
147.04419	4.1
152.98650	8.1
155.00169	1.6
158.99667	40.7
161.01256	7.2
161.02855	0.9
170.98193	2.1
170.99663	31.0
171.01080	2.0
174.99181	1.3
177.00720	17.9
182.99661	30.4
185.01355	1.1
189.00729	18.1
201.00719	52.5
207.01784	3.7
207.05270	1.7
211.53069	1.4
213.00729	4.4
219.01773	38.3
231.01736	4.1
233.03278	1.7
237.02847	12.6
243.01791	21.9
249.02777	1.8
261.02838	91.2
269.05441	3.5
273.02820	9.6
279.03870	40.7
291.03934	15.3
293.05621	1.3
311.06693	1.6
321.04953	45.5
333.05014	5.4
337.08167	1.4
349.06219	1.4
351.05869	8.8
381.07047	7.3
399.08121	4.6
441.09152	27.5
441.15283	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1736
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
64.80981	0.3
69.07098	0.4
69.42294	0.6
69.42693	2.6
69.58376	0.3
71.04964	0.4
71.29403	0.3
81.07055	1.3
93.07048	0.5
107.08561	0.5
121.10204	0.4
135.11729	0.5
167.17290	0.3
185.04202	0.6
193.12032	2.4
203.05324	1.0
227.05173	0.5
229.03119	0.4
235.13136	0.5
245.06387	3.3
289.05328	3.1
355.17316	10.8
379.17325	0.6
397.18387	25.3
398.18689	0.7
441.17389	100.0
442.17850	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.1
55.05521	12.9
57.03432	3.4
57.07019	2.0
59.04996	2.5
61.02927	1.7
67.05505	50.6
69.03419	7.3
69.07071	9.0
70.77480	4.2
71.04977	4.1
73.92508	1.8
79.05498	14.7
81.03427	12.7
81.07057	29.8
83.04985	11.4
83.08630	10.3
85.02918	11.3
85.06535	4.8
91.05482	16.6
93.07051	25.8
95.04969	8.4
95.08605	15.0
95.65646	1.7
97.02866	3.4
97.06504	2.3
97.10172	2.3
98.21476	1.7
105.07040	19.6
107.04926	5.6
107.08586	22.2
109.06504	5.2
109.10161	41.2
111.08054	7.9
113.09625	5.9
119.07810	2.6
119.08590	25.4
121.06485	3.1
121.10153	25.0
122.07320	2.4
123.08059	3.3
123.11705	8.5
125.09604	2.1
127.03891	2.4
131.08559	4.6
133.06546	2.2
133.10132	43.3
135.07948	2.1
135.11673	9.5
137.09624	24.2
139.11171	6.0
145.04883	1.6
145.10097	4.9
147.08034	5.1
147.11749	8.1
149.09648	5.7
149.13310	2.8
151.11200	12.4
155.10580	2.3
157.10063	5.9
159.11661	3.6
161.09586	4.4
161.13258	5.6
165.12773	2.5
173.11781	5.0
175.11179	5.1
175.14839	20.6
185.13213	4.5
191.14348	2.2
193.12283	13.8
193.15886	2.7
197.54840	1.6
199.14819	2.0
199.40416	1.8
201.16368	4.4
203.14323	7.2
211.13316	15.9
217.15869	2.5
217.19699	2.0
224.40071	2.0
241.19443	4.8
251.59593	2.0
259.18030	2.8
259.20590	28.5
269.36542	1.9
277.21631	100.0
285.10016	3.0
415.01483	1.7
421.25781	1.9
439.27084	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01886	2.0
55.05513	13.4
55.97908	1.0
56.96578	0.8
57.03437	8.6
57.07071	1.4
59.05006	4.6
61.02931	1.7
65.03947	2.5
67.05509	100.0
68.05849	1.0
69.03439	3.2
69.07074	5.6
71.05004	6.1
71.08627	0.8
79.05492	16.2
81.03425	31.9
81.07063	27.5
81.07533	1.7
83.04988	5.7
83.08625	16.4
85.02914	21.3
85.06568	3.9
87.04486	1.1
91.03954	1.6
91.05491	20.6
93.07051	13.5
95.04968	13.9
95.08617	10.8
97.02921	2.6
97.06559	2.7
97.10184	2.7
98.97684	1.0
99.08166	0.9
99.47212	1.0
105.07030	11.5
107.04974	2.8
107.08565	4.9
109.06544	3.1
109.10163	64.4
111.04455	1.5
111.08108	9.1
113.06050	1.9
115.10439	0.9
117.07089	1.6
119.08588	16.6
121.06503	1.6
121.10162	5.8
123.08096	1.3
123.11729	2.1
125.09641	1.4
129.07024	5.9
131.08612	5.9
133.06519	1.3
133.10172	5.6
137.09627	4.4
147.08073	1.4
147.11685	7.1
149.09671	3.5
155.10655	5.3
157.10139	8.0
165.12779	2.8
173.11758	19.7
175.11180	8.1
189.00583	1.2
193.12250	30.9
203.10826	1.0
211.13304	42.2
229.14394	5.3
249.14926	1.4
267.09103	1.6
267.15927	6.0
269.12540	1.3
270.12503	1.6
285.10272	2.5
285.17102	1.6
324.11603	4.1
356.21539	1.2
409.14844	1.0
421.25919	3.6
439.27094	94.2
440.27621	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12425	0.6
52.45614	0.6
53.03943	2.3
53.91404	0.7
55.01871	1.9
55.05512	13.1
56.96546	0.9
57.03437	8.0
59.04996	4.0
61.02934	1.3
65.03941	3.0
67.05506	100.0
68.05829	0.6
68.39294	0.7
69.03429	3.1
69.07079	4.6
69.63103	0.7
71.04990	6.6
71.53374	1.2
73.02916	0.9
79.05492	14.7
81.03419	30.8
81.07053	27.6
83.04974	7.2
83.08616	15.0
85.02907	21.1
85.06539	5.1
91.05482	20.5
91.06023	1.4
93.07050	13.2
95.04965	12.4
95.08601	10.2
97.02892	2.8
97.06519	2.0
97.10173	3.0
97.72527	0.7
99.04471	0.7
99.69671	0.6
105.07031	14.4
107.04967	2.9
107.08597	7.1
109.06518	2.6
109.10156	63.6
111.04446	1.1
111.08083	6.9
113.06020	1.5
116.10764	1.0
117.07017	1.6
119.08579	15.3
121.06552	1.0
121.10128	6.8
123.08056	1.9
123.11725	1.4
125.09678	1.2
127.04005	0.9
129.07008	6.3
131.08575	5.5
133.06503	1.7
133.10129	5.6
135.08136	0.7
135.11722	0.9
137.09630	4.0
140.57909	0.8
142.07794	1.7
145.10129	0.9
147.08064	1.6
147.11690	7.7
149.09631	3.2
149.13348	1.1
155.10626	5.3
156.22646	0.7
157.10127	9.2
163.11273	1.0
165.12759	1.9
173.11743	17.7
173.13191	1.2
175.11183	9.7
189.00871	0.7
193.12250	32.3
211.13295	42.1
229.14330	5.1
243.80035	0.7
255.09021	1.3
267.09079	3.1
267.15958	4.6
273.70657	0.6
277.21631	1.1
285.10098	3.1
309.10947	1.3
324.11490	3.2
324.61682	1.0
414.17172	1.9
421.25861	3.8
438.56461	0.8
439.26962	91.2
440.27451	2.4
449.55862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.7
57.03429	4.0
57.07079	65.4
58.91177	1.4
59.04992	2.1
61.02942	1.5
64.37230	1.2
67.05505	5.7
69.03432	6.4
69.07069	10.8
71.05025	1.8
71.53674	1.8
72.17500	1.2
73.18740	1.2
79.05490	2.3
81.03423	2.5
81.07060	37.5
83.08630	1.6
85.02918	7.7
85.06555	15.9
87.00842	2.5
91.05473	1.4
93.07034	1.6
95.08617	22.0
97.02919	2.9
97.10178	14.2
99.04489	1.2
99.08097	46.5
105.01852	2.6
109.02925	2.0
109.10167	2.2
111.11728	4.2
115.03951	2.8
121.02896	4.8
127.03926	4.5
129.12808	1.6
137.13269	24.7
145.04877	1.5
147.04390	2.0
153.12724	3.3
155.14314	100.0
163.14784	2.1
173.15382	32.5
181.05058	1.4
191.16431	56.7
206.51440	1.3
207.03023	1.4
245.17538	1.6
275.02145	1.3
303.05185	1.9
325.07108	2.1
337.07007	1.8
341.27133	1.2
374.97998	5.1
388.96042	3.7
397.99710	4.7
412.26419	1.4
421.09033	1.5
439.09879	2.6
439.15503	1.4
439.23364	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	439.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78851	0.6
53.03957	0.5
56.96562	4.0
58.99877	1.0
61.62016	0.6
61.96477	0.6
65.03925	1.3
69.03426	1.4
69.17638	3.3
69.18067	2.3
70.06561	0.8
70.98132	1.3
70.99859	0.8
79.17886	0.5
82.99868	1.5
83.04893	0.5
84.96016	0.7
85.02905	0.8
91.05490	14.8
97.01385	0.7
98.21487	1.1
98.97588	7.0
101.00893	11.4
110.97571	1.1
112.99165	1.0
113.00894	3.0
115.02409	3.1
116.98618	2.4
119.01940	11.5
119.04948	30.7
120.05230	0.5
124.95486	1.1
124.99073	1.0
127.02444	0.7
127.03952	1.3
128.98627	1.6
131.00194	1.3
131.01920	5.2
133.03467	2.4
134.99644	0.9
135.04352	0.7
137.02928	0.8
139.03885	1.1
142.03535	0.5
142.96494	0.7
143.00209	1.3
143.01907	12.2
144.99843	0.9
145.03470	2.0
146.99709	1.6
147.04417	100.0
148.04745	2.0
149.02853	0.6
155.01857	0.8
157.01720	1.2
157.03474	1.3
158.99680	1.6
159.01395	1.9
161.02974	12.6
163.03957	3.9
168.99838	2.3
169.03555	0.9
170.96040	0.7
171.01414	2.6
173.03011	2.7
174.99135	0.9
175.02850	1.1
177.00755	1.5
177.02432	2.4
183.01385	2.1
185.03033	1.1
187.00896	2.4
187.02449	1.3
187.04539	0.8
188.97081	1.3
189.00774	1.1
189.02510	1.7
189.04359	1.2
191.00458	0.7
191.02225	0.9
191.03923	1.1
196.99411	0.8
199.00868	2.4
201.00803	1.0
201.02409	3.0
202.98740	0.9
203.02242	0.6
205.00320	1.1
205.01836	0.9
205.03505	10.3
209.03123	0.8
209.18932	0.6
213.02509	1.0
215.00406	1.9
217.01974	1.4
219.01743	2.0
219.05299	0.7
220.99634	0.9
223.04588	8.0
229.03590	8.9
230.98271	0.6
231.03423	0.8
233.01279	0.9
233.03151	1.7
237.02870	1.2
241.03529	0.9
241.05608	1.2
243.05240	1.0
247.04636	21.7
251.04527	1.3
255.05014	0.7
259.04617	3.3
261.02567	1.2
261.06134	1.3
265.05667	10.2
269.02936	1.4
269.05518	2.4
270.06204	0.7
271.06827	0.6
273.06281	1.3
275.02377	9.5
277.02094	0.7
279.06921	0.7
281.01868	0.9
281.05154	0.6
283.06769	1.6
287.04099	6.2
289.05255	1.0
291.03665	0.7
293.03406	6.8
295.06891	0.8
301.00616	3.0
303.03558	0.6
305.03580	0.6
307.06561	1.1
315.03384	2.3
319.02969	0.7
328.99777	0.7
333.03503	0.9
343.02701	1.3
345.03067	1.7
347.03110	1.9
353.07495	0.7
361.04047	20.7
365.03839	1.0
379.05008	10.2
391.04031	1.2
397.06137	7.3
403.03171	1.4
421.04681	2.8
439.08380	2.5
439.14981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	7.2
58.99854	2.4
60.00995	1.0
61.02895	1.2
65.03929	1.9
69.03429	1.5
70.98122	2.0
71.52251	1.6
74.25996	1.0
77.00915	1.5
78.11915	1.0
79.80662	1.1
82.99856	2.1
85.02905	1.4
91.04970	1.5
91.05488	15.3
98.97591	9.6
101.00893	25.1
109.26537	1.1
110.97567	1.2
113.00843	3.8
115.02425	5.1
116.98605	3.2
119.01930	34.9
119.04119	1.8
119.04947	30.8
127.02445	2.7
131.00168	1.3
131.01901	10.1
133.03476	7.4
137.03020	2.9
139.02441	1.3
141.00220	1.2
143.00189	2.2
143.01901	29.2
145.03490	7.6
147.01370	4.5
147.04417	100.0
148.04712	2.3
149.02928	3.0
155.01877	4.8
157.03477	5.7
159.01379	6.0
160.97649	1.2
161.01457	1.8
161.02962	26.4
168.99840	7.9
169.03485	2.1
169.93250	1.1
170.96124	1.3
170.99802	1.4
171.01401	4.6
173.01341	1.4
173.02942	4.5
174.99228	1.2
175.00830	2.7
175.04556	2.8
177.00818	2.4
177.02438	8.3
183.01413	3.8
184.04634	1.6
185.02927	3.5
186.99268	2.1
187.00891	8.2
187.02484	2.5
187.04530	2.8
188.97118	1.9
189.00896	1.2
189.02419	5.3
190.98526	1.5
191.00381	2.0
191.02208	1.7
191.03996	2.2
193.00215	2.5
196.99342	2.8
199.00853	2.7
201.02463	11.7
202.98593	1.5
203.00394	1.3
203.03899	1.2
205.01891	2.5
205.03526	14.0
207.03578	1.7
212.97150	1.3
213.02412	2.3
215.00317	9.6
217.00177	1.5
217.02002	3.9
219.03456	3.3
220.99684	1.8
223.00938	1.6
223.04556	14.4
223.06615	2.1
229.03761	8.8
230.98100	2.5
233.01277	2.6
233.03259	2.5
241.03635	1.6
241.05681	2.2
245.05104	2.3
247.04739	23.5
251.04399	3.3
257.01266	2.1
259.04602	3.2
263.00858	3.9
265.05740	10.8
269.02979	1.9
269.05493	3.1
275.02444	25.0
277.08829	2.8
281.01846	1.8
281.05261	1.3
287.04294	6.7
289.05276	1.4
290.99991	1.8
293.03366	16.3
293.24390	1.2
301.00412	12.1
303.02194	1.2
305.03665	3.8
307.06052	1.2
319.01276	1.3
328.99753	3.0
329.03638	3.0
333.03076	7.5
345.02908	6.0
351.02374	1.5
361.03680	27.7
363.03809	2.6
365.03763	1.8
373.02417	2.8
379.04199	12.9
389.01642	1.6
391.03384	4.4
397.06238	7.8
403.03659	6.6
409.04599	1.8
421.04623	10.8
439.08594	1.9
439.14047	7.9
444.06250	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.01877	3.2
55.05505	8.2
57.03420	1.8
57.07067	3.7
59.04988	2.0
61.02919	4.5
67.05488	2.5
69.03430	11.4
69.07069	4.5
69.38860	10.1
69.39271	4.5
71.04980	3.2
71.08616	8.2
73.02921	1.7
73.06189	2.3
73.06564	35.9
81.03408	7.8
81.07055	13.8
83.08614	7.7
85.02916	26.2
85.06540	6.1
86.06052	5.6
87.00821	11.5
91.03964	2.3
93.20303	1.9
95.08612	14.8
97.02892	12.8
97.10166	9.3
99.04449	5.5
105.01894	9.3
105.13874	2.2
106.95803	1.9
109.02879	7.5
109.10165	2.4
122.56341	2.0
127.03964	13.0
137.13277	36.8
145.04955	3.5
155.14314	100.0
159.02890	4.1
161.55115	1.9
161.79489	1.9
171.03461	1.9
173.15385	65.6
177.95499	1.8
308.53931	2.1
438.22012	4.0
439.22989	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	438.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
54.92660	0.6
55.01883	2.0
55.05516	0.9
57.03441	1.4
59.05015	0.8
61.02927	1.5
62.15310	0.6
69.03435	6.6
69.07069	5.2
69.36065	5.6
71.05014	1.2
71.08640	53.2
73.02934	1.5
79.05463	0.6
79.53745	0.6
81.03435	6.2
81.07075	0.8
81.95561	0.7
85.02913	18.5
86.06067	1.4
87.00846	8.8
97.02901	9.7
99.04466	3.0
99.08105	100.0
105.01873	6.5
107.87821	0.6
109.02911	5.6
115.03928	0.7
117.01872	1.4
127.03000	0.9
127.03930	12.6
129.01878	0.8
129.12762	11.1
145.04970	3.7
155.08650	0.7
155.14313	2.9
159.02892	3.4
173.15392	68.4
177.41833	0.6
220.42482	0.7
231.05150	0.9
285.10092	0.9
438.22141	1.0
439.22943	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	438.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	5.7
56.51980	2.9
57.03448	3.4
58.99578	12.6
61.01142	4.8
61.15001	2.9
61.29033	3.5
63.99968	3.0
68.05019	6.0
69.03434	4.9
70.02940	5.9
70.06577	7.0
71.53017	4.0
72.04520	5.0
72.08135	3.6
73.01148	3.2
74.00640	7.5
76.02233	17.6
76.03989	4.7
79.05514	4.5
80.05013	4.2
81.03413	4.0
81.07055	3.1
83.06105	6.0
84.04510	75.8
85.01137	35.9
85.02914	7.5
86.00649	27.7
86.09711	6.2
86.99059	51.5
87.02685	4.3
95.04930	4.3
96.04460	4.3
97.01105	6.1
97.06532	16.9
102.03781	15.5
102.05540	12.0
112.02209	32.7
112.03951	3.6
114.03745	11.2
114.05534	3.3
116.01687	16.0
119.04920	5.7
127.02183	4.1
127.03934	4.5
129.06570	4.2
130.03218	13.6
130.05019	20.6
132.01140	3.4
142.03235	21.1
143.02750	25.9
144.01080	3.7
144.04794	3.6
147.04382	11.0
148.04720	4.0
153.06532	4.3
155.08125	3.9
158.02676	7.2
162.02185	9.5
162.07678	4.9
169.04260	7.3
170.06361	8.9
171.02234	5.0
177.03317	5.2
177.05371	2.9
178.16422	3.1
179.04756	6.4
181.06184	3.6
188.03770	7.1
188.07388	5.4
189.03294	100.0
196.04282	9.2
205.06496	6.3
206.08513	3.4
215.04865	44.6
217.06427	5.2
224.03764	4.3
233.06041	14.8
236.29327	3.2
269.05948	4.3
287.06973	13.4
291.10092	26.3
309.11069	4.6
345.11237	6.2
362.09909	8.6
368.31448	3.4
390.23221	3.1
438.15677	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	438.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
56.87102	0.8
65.03935	1.9
67.01853	3.1
67.05492	0.9
68.99798	4.8
69.03415	2.5
69.07056	2.3
69.31266	0.6
70.06583	1.8
71.53795	0.9
73.02934	0.7
74.00659	1.3
77.03969	1.1
79.05490	2.7
81.03438	1.4
81.07047	2.2
85.02894	2.6
85.06545	0.9
86.09713	0.8
88.03992	2.1
91.05460	1.5
93.03384	1.9
93.07058	1.2
95.04972	6.9
95.08619	1.7
97.02876	1.7
99.04417	0.8
105.03392	2.3
107.04951	3.1
107.08577	1.1
108.97458	2.9
109.02874	2.2
109.06519	1.0
109.10117	1.0
111.00845	3.9
111.01457	0.7
111.02679	1.6
111.04458	3.8
111.33943	0.7
121.02876	6.6
121.06543	1.0
121.10120	1.0
123.02642	2.4
123.04424	4.1
125.06017	1.9
125.09633	0.8
127.02055	1.0
127.03935	4.2
127.07530	1.3
129.01822	0.9
133.02861	24.5
135.02658	1.1
135.04428	2.4
137.00568	3.4
137.05957	9.0
139.02121	3.1
139.03902	6.8
139.11200	5.0
147.04448	1.3
149.00528	2.8
149.02354	32.1
149.05991	1.1
151.02168	6.9
151.03914	15.9
153.01836	98.5
154.97981	21.8
155.01649	1.7
163.02180	2.0
163.03882	1.6
164.04724	2.2
165.00096	5.4
165.01421	0.9
165.05495	17.9
165.06897	1.0
166.06268	40.2
167.01642	25.0
167.03418	7.6
167.07008	2.4
168.05716	0.8
169.03214	2.8
171.02866	4.1
172.99095	1.4
177.00325	1.0
177.01848	4.6
178.00835	1.2
179.01620	2.7
181.03139	0.7
181.12312	2.4
182.97481	10.9
183.01111	3.8
183.98262	1.5
184.99086	2.4
185.05977	1.6
189.00044	2.1
191.01591	2.7
193.03206	9.2
193.04948	1.5
195.01144	3.3
195.02914	11.0
197.02693	6.4
198.03488	2.6
200.98563	8.1
201.03761	1.3
201.05507	2.0
203.01688	1.2
209.02686	3.0
213.05534	3.3
217.03198	1.2
218.00302	1.3
219.01151	3.2
221.02692	3.3
223.00528	1.2
223.02400	1.6
223.04274	1.2
223.13303	2.2
229.03201	1.1
229.05022	7.5
231.01096	0.9
232.01930	2.1
233.02669	13.4
233.04726	1.3
239.03520	0.9
241.05020	3.6
241.14296	7.5
242.05672	1.6
243.01158	2.6
245.02676	3.5
247.00581	8.2
248.01437	4.8
249.02188	0.9
257.04608	5.4
261.02179	15.9
263.03745	6.9
265.01648	1.0
269.02591	2.1
269.05011	1.6
271.00665	5.3
272.01410	1.7
273.01990	1.2
275.03754	15.9
285.01974	1.6
286.07446	7.9
288.00946	1.5
289.01627	5.6
293.05054	1.2
297.02139	2.1
301.10812	0.8
302.02414	1.1
303.03204	17.0
313.01776	1.0
316.00397	1.6
316.05716	0.9
317.01160	2.7
329.04791	1.7
331.02725	23.1
334.01529	1.4
349.03784	100.0
350.04013	1.7
357.04358	7.1
367.04855	26.6
375.05396	11.5
385.03696	5.8
392.07928	2.8
403.04907	6.8
413.71848	0.8
421.05920	44.0
437.34244	0.9
438.08551	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	438.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00006	0.4
67.01886	2.6
68.99779	2.3
69.03435	1.5
70.02959	1.4
70.06558	0.5
71.53799	0.8
74.00671	2.1
79.05512	0.7
81.03408	0.6
85.02905	0.7
87.30352	0.5
88.04002	9.7
95.04978	1.2
95.08649	0.5
97.02920	0.7
104.21011	0.4
107.04946	1.2
109.02882	1.3
111.00819	1.3
111.04442	0.6
113.02367	3.3
117.99448	0.4
120.01170	1.4
121.01138	0.7
123.04443	6.6
125.06020	0.7
127.03905	1.9
135.11597	0.4
137.00482	0.4
137.05974	1.1
139.03926	2.5
147.04433	1.1
148.02168	0.9
149.00583	7.8
149.02354	1.0
151.03958	0.6
153.01843	100.0
154.00833	0.8
154.02081	0.4
155.01602	0.6
156.99577	0.6
162.05533	1.3
162.06773	0.5
163.02130	0.6
164.04703	0.7
165.00110	3.1
166.00850	0.6
167.00378	0.7
167.01648	1.5
167.03323	0.7
169.03203	22.6
171.02791	0.7
176.01674	7.8
176.07137	0.9
178.00903	0.5
178.03241	0.6
180.02464	2.1
181.03198	1.7
187.02226	0.8
191.98763	0.6
193.01955	3.0
193.02928	0.6
193.03464	0.9
194.02802	0.8
194.04514	7.2
195.01149	1.1
195.04854	0.6
197.02704	0.7
207.01093	0.9
208.04283	18.8
215.01718	0.9
218.00409	0.8
219.01221	0.5
220.04250	0.6
222.05933	1.0
232.01920	1.2
233.02652	1.4
239.02312	0.5
240.04985	1.7
243.01097	1.7
254.04849	78.6
255.05037	0.7
258.18561	0.4
258.83081	0.5
259.00656	1.3
259.06033	0.9
260.01535	3.5
268.06317	2.3
269.04880	2.7
271.00641	4.9
275.03745	4.9
286.07468	11.3
287.00070	1.9
287.07742	0.5
288.00800	2.5
291.08325	2.0
293.04810	4.8
298.97437	0.2
299.00076	10.0
301.07010	1.5
316.00375	19.2
321.04303	7.0
329.04834	0.9
331.02750	20.0
333.04315	10.6
334.04364	0.5
341.73334	0.4
349.03796	6.7
356.05991	2.6
357.04510	0.7
363.10580	0.5
374.06921	0.5
383.37628	0.5
392.08319	0.5
420.07516	6.4
421.05954	2.3
438.08524	5.4
438.14398	2.7
438.19229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.05506	1.3
57.06866	0.5
57.07079	5.2
58.06591	1.2
65.03910	0.5
67.05497	1.3
69.07063	1.0
69.52593	3.6
70.06595	15.0
71.08626	1.8
79.05483	2.3
81.07052	7.4
85.10184	0.7
88.07633	17.2
91.05473	2.0
93.07042	1.6
95.04979	1.2
95.08609	1.4
98.20752	0.8
102.09181	13.9
103.01800	2.7
105.07045	2.4
107.08602	1.2
109.10158	0.9
119.08596	1.4
121.10171	0.7
131.08595	1.8
133.10153	1.1
135.04396	3.0
135.07982	1.0
143.08589	1.4
145.10097	1.6
153.05446	0.8
155.08485	0.6
156.09412	0.6
157.10162	1.5
159.11694	1.2
163.03905	69.2
163.05032	4.7
169.10098	1.0
171.11676	1.3
183.11702	2.1
185.13283	0.7
197.13306	0.9
201.12787	0.7
207.06534	72.4
208.06961	0.6
211.14772	0.7
212.23654	1.0
225.12807	1.0
226.13663	0.7
253.19467	1.3
256.26361	43.1
263.17905	0.6
281.19034	2.0
299.19998	2.9
317.21017	0.9
341.21225	2.5
359.22342	1.9
436.30624	100.0
437.30728	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1445
Annotation	Phloridzin
Peak:m/z	Relative Intensity
53.03941	1.1
55.01873	0.8
55.05504	1.2
57.03429	1.0
57.07077	0.4
61.02935	0.8
67.05502	1.4
69.03429	2.0
69.07071	1.5
71.04993	0.6
71.54888	0.5
73.02865	0.5
79.05491	1.8
81.03427	1.8
81.07062	3.8
83.08618	0.5
85.02908	7.9
90.05360	0.4
91.03953	0.4
91.05489	1.2
93.07049	2.3
95.04976	0.9
95.08617	4.3
97.02895	2.3
97.06560	0.6
97.10163	0.6
103.03958	0.7
105.01903	0.4
105.07049	2.2
106.07336	0.6
107.04958	100.0
107.08586	2.2
108.05299	0.7
109.02883	1.2
109.10157	3.5
111.07329	0.4
111.08078	0.8
117.07017	0.5
119.04970	0.4
119.08584	1.6
121.06503	1.2
121.10126	1.4
123.04436	0.7
123.08069	0.4
123.11704	1.6
127.03925	3.9
131.04947	1.9
131.08557	0.6
133.06465	0.4
133.10129	1.2
134.10410	0.5
135.11681	1.5
136.12047	0.4
137.13353	0.9
139.03912	1.0
144.05769	0.6
145.04932	2.1
145.06519	0.4
147.04436	1.1
147.11658	2.4
148.12077	0.8
149.05989	7.5
149.13298	0.6
150.13660	0.4
151.03923	2.5
153.12784	0.7
154.13158	0.4
161.13287	1.1
162.13625	0.4
163.03925	1.5
163.06078	0.5
163.14867	0.5
165.05475	0.4
169.04977	7.2
173.05986	3.5
181.04913	2.9
191.07103	1.1
193.04968	3.9
203.17966	4.2
204.18295	4.4
205.04951	1.3
207.06552	1.3
211.05971	2.8
213.05457	0.3
215.07031	1.3
217.04991	0.6
221.19031	4.4
222.19357	4.6
229.04961	0.8
231.06738	0.4
233.08241	0.7
235.06004	3.1
239.20148	0.6
241.04961	0.5
247.05963	2.1
257.07919	0.4
257.21194	0.7
259.06046	1.5
269.08044	0.4
275.09149	15.1
276.09650	0.4
277.07028	1.3
287.09064	2.9
299.09146	3.8
317.10242	5.7
341.10226	5.6
353.10236	5.1
353.14590	0.5
365.10068	2.4
371.11365	0.9
383.11221	1.8
401.12363	1.1
437.13815	0.8
437.21762	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	436.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.1
57.07068	0.6
57.72263	0.4
67.05501	1.9
69.03408	1.0
69.07075	0.8
70.18461	0.4
71.04977	1.3
76.40379	0.4
79.05509	0.6
81.03397	0.5
81.07058	8.0
83.08613	0.5
85.02901	4.0
91.05490	1.1
93.07043	3.7
95.08608	16.5
97.02884	1.0
97.06529	0.6
97.10149	0.7
98.20731	1.1
105.07040	5.6
107.08593	3.0
109.02870	0.4
109.10159	9.9
119.08595	7.6
121.10143	4.2
123.11724	6.7
127.03918	0.9
132.69867	0.4
133.09450	0.3
133.10153	4.1
135.11684	2.3
137.09685	0.5
137.13229	0.4
145.04961	1.0
145.10016	0.5
147.04469	0.5
147.11693	11.4
148.04715	1.2
149.13199	0.9
153.01831	2.2
153.12761	6.7
154.02174	1.0
161.13239	2.6
163.06058	0.8
163.14845	0.5
175.14844	0.7
182.43469	0.5
203.17964	100.0
204.18324	1.1
221.19009	8.8
239.20116	0.9
273.07629	0.9
274.07959	2.9
395.95132	0.5
449.72598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.1
67.05501	3.9
69.03442	2.1
69.07065	3.7
70.40803	2.8
70.41194	2.0
74.85938	1.0
75.98058	1.0
79.05481	2.8
80.45999	1.0
81.03410	1.4
81.07059	20.3
83.99442	1.0
85.02911	13.3
91.05479	2.4
93.07055	8.8
95.08617	18.8
97.02901	3.4
97.06535	1.6
97.10188	1.5
105.07035	9.8
107.08589	8.5
109.02887	2.1
109.10158	14.3
119.08570	8.1
121.10138	8.9
123.11707	11.0
127.03927	4.0
133.10146	10.2
134.74017	1.2
135.11700	4.4
137.09523	1.9
137.13229	1.5
139.03905	1.3
143.02278	1.2
145.04961	5.8
147.11674	19.2
149.13237	3.9
161.13249	7.9
163.06009	5.0
163.14798	7.1
165.12823	2.3
175.14861	2.4
177.16391	3.5
193.19376	1.4
203.17960	100.0
204.18312	1.2
205.19490	1.7
221.19019	67.1
239.20094	5.9
257.17276	1.2
333.11041	1.2
365.23218	2.0
383.24301	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	18.1
63.66066	7.6
67.05492	24.0
69.03426	11.0
69.07058	28.4
71.04984	14.2
71.53502	11.0
74.30634	8.8
75.11812	7.6
79.05474	25.2
79.05906	8.7
79.99664	8.2
81.07058	100.0
83.08617	16.3
85.02892	37.1
86.25580	8.7
87.40343	8.8
91.05480	20.6
93.07027	37.2
94.73039	7.7
95.04924	14.7
95.08632	47.9
97.02882	14.5
97.06561	8.5
98.97569	11.0
105.07030	28.2
107.08617	63.2
109.02895	10.4
109.10178	62.0
111.08063	9.6
118.69567	7.8
119.08612	66.5
121.10182	19.6
123.11719	27.2
125.09595	10.6
127.11210	25.3
131.08582	12.3
133.10117	34.8
135.11728	75.7
143.10645	23.1
145.10158	9.6
147.11688	33.6
149.13246	15.5
161.13275	19.2
163.14874	12.3
165.12753	10.3
203.18021	63.0
221.18996	100.0
239.19931	16.3
255.06560	8.9
257.17517	10.1
275.92648	8.5
296.11264	8.3
299.28555	9.6
304.05295	9.1
304.62122	8.3
363.28244	9.1
427.78793	8.6
437.21304	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	436.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24719	0.7
53.03953	1.0
55.01871	1.4
55.05514	3.4
57.03438	1.1
57.07056	1.4
57.15712	0.9
57.29412	0.8
59.04988	1.4
61.02925	1.3
66.57272	0.8
67.05512	5.1
68.36401	0.8
69.03433	4.9
69.07065	4.2
71.04997	9.7
73.02892	0.9
73.06573	2.0
79.05506	4.4
81.03409	1.8
81.07057	19.3
82.57228	0.9
83.08615	2.3
85.02906	19.0
85.06509	1.0
87.00820	1.9
91.05469	4.8
93.07052	14.1
95.08611	23.3
97.02906	5.0
97.06551	2.7
97.10190	1.4
98.20771	1.4
99.04493	0.8
105.01876	3.7
105.07034	16.5
107.04974	8.6
107.08605	16.5
109.02871	2.4
109.10164	25.0
109.41640	0.9
111.08102	5.5
119.08591	11.9
121.10154	9.8
123.11716	10.0
127.03934	6.7
133.10138	15.3
135.11693	18.0
137.09642	2.7
137.13263	1.9
145.04999	5.7
147.10526	1.3
147.11691	25.1
149.06001	1.0
149.13275	6.5
153.12753	67.7
159.11600	1.0
160.12630	1.1
161.13263	12.3
163.06071	2.5
163.14864	1.7
165.12781	1.4
169.04984	1.0
175.14850	2.7
188.15764	1.0
193.16077	1.0
193.19562	1.9
203.17963	97.2
204.07239	0.9
211.17079	1.1
221.19017	100.0
231.05165	1.1
239.20029	8.1
258.11234	2.1
274.08127	1.2
275.09262	1.2
297.66504	0.9
304.05298	1.8
383.23904	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21475	0.4
54.05019	0.4
54.78104	0.3
55.05505	1.4
59.05013	1.8
67.05508	0.6
67.63280	0.3
69.03433	1.5
69.07072	2.0
69.48180	2.4
71.05000	11.9
73.06563	3.7
74.94340	0.4
79.05497	2.8
81.03425	0.8
81.06586	0.8
81.07067	13.7
83.08630	0.5
85.02908	3.5
87.00855	2.0
91.05474	1.2
93.07056	9.5
95.08621	2.2
95.81795	0.3
97.02899	1.4
97.06528	1.0
99.68546	0.3
101.24676	0.3
105.01899	2.2
105.07036	0.8
107.08613	7.8
109.02876	1.1
109.10188	1.8
119.08582	0.5
127.03931	1.8
135.11703	16.7
135.12735	0.8
145.04959	1.0
153.12762	100.0
154.13081	0.9
159.02834	0.4
164.15619	0.4
203.17969	1.2
221.19229	0.8
231.05090	0.5
249.06131	0.5
388.85333	0.4
395.95200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.7
57.03433	2.6
60.85326	1.0
61.02914	3.8
65.03946	1.2
67.05496	1.5
68.99780	1.3
69.03413	4.6
69.03766	1.1
69.07059	2.9
69.77264	5.9
71.04975	1.2
72.07465	1.1
73.02918	16.9
74.03252	2.2
79.05477	2.2
81.03418	3.2
81.07053	10.8
83.08619	12.3
84.89931	1.1
85.02910	11.1
85.06532	1.5
87.00841	3.0
91.05460	3.3
93.07037	7.0
95.08629	8.8
97.02879	4.3
105.01876	5.8
105.07034	9.6
107.08587	7.0
109.10172	6.6
111.00784	1.3
115.03929	2.0
119.04868	1.3
119.08592	6.6
121.02890	2.2
121.10155	6.3
123.11718	20.8
127.03912	6.3
132.92230	1.1
133.10101	5.9
135.11696	5.3
137.02275	2.9
137.13260	1.5
138.02725	1.6
139.03940	1.4
145.04942	4.7
145.39587	1.3
147.11707	18.6
148.11685	1.1
151.11160	1.5
153.01819	4.7
153.12878	1.3
154.02098	2.7
159.04289	1.3
161.13284	4.1
163.06012	4.3
163.14821	3.4
165.01837	1.6
165.12755	4.9
177.16339	1.5
181.15846	2.3
201.05389	1.5
202.05830	1.8
203.17967	54.7
204.18387	1.5
221.19002	39.0
229.04977	2.5
230.05251	3.0
231.05000	2.6
249.06044	3.5
258.04919	2.4
271.06039	6.1
272.06406	12.9
273.06583	12.5
274.06812	15.9
303.05011	34.7
304.05341	100.0
305.05460	2.3
316.05411	1.7
400.07611	1.5
410.82617	1.4
418.08478	1.6
436.09808	1.9
436.19601	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29158	1.5
55.05509	3.8
59.25741	1.5
67.05506	3.9
69.03421	3.0
69.07063	4.1
69.58521	9.4
72.87154	1.8
79.05505	2.7
81.07056	9.1
83.04975	1.4
83.08622	1.7
85.02910	15.9
85.06507	1.6
91.05471	2.9
91.79823	1.4
93.07050	7.6
95.08602	18.2
97.02883	3.1
98.46246	1.3
101.06030	2.9
105.07034	22.6
105.07709	2.5
107.08588	11.7
109.10163	25.7
111.02605	1.4
119.08583	18.1
121.10133	10.7
123.04474	1.8
123.11733	9.4
127.03916	5.7
133.10146	13.1
135.11670	4.2
137.09567	1.3
139.03909	2.8
145.05002	7.9
147.04398	4.9
147.11687	53.2
147.12816	3.1
148.04774	1.5
149.13269	10.7
151.11168	2.0
161.13257	12.0
163.06021	7.9
163.14825	3.3
165.12755	4.2
173.86279	1.4
198.09740	2.4
203.17955	100.0
221.19006	72.2
230.08992	3.2
233.15883	1.5
239.12779	2.6
239.95781	1.5
240.75880	1.9
273.11276	3.2
274.11523	9.8
370.67233	1.8
399.22775	1.5
433.54150	1.5
436.17032	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44148	0.9
53.03933	1.2
57.03440	5.9
57.29297	0.9
69.03414	1.5
70.06583	3.2
71.53491	1.6
75.04488	1.9
79.05497	1.9
85.02927	6.1
85.03349	1.3
91.05479	1.4
95.11394	0.8
97.02891	1.8
103.05479	1.7
105.07037	22.4
107.04955	2.4
109.02896	0.9
109.06491	1.2
112.44962	1.0
119.04910	1.4
122.03659	1.5
133.06499	51.8
133.09985	0.9
135.08014	0.9
137.05984	100.0
143.08485	0.9
147.04416	3.9
163.07504	4.3
165.09132	36.4
175.07556	4.5
175.11203	1.1
177.09071	1.4
181.08580	2.7
183.10182	29.7
203.10672	2.1
209.11668	1.2
221.11749	5.3
239.12741	4.2
257.13858	64.6
258.14020	1.5
274.10684	1.2
301.16772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.4
56.96556	11.7
57.03451	19.5
61.02928	5.3
65.03929	3.9
68.89111	3.0
69.03435	68.6
69.07081	4.7
70.06595	4.8
71.01343	5.6
71.04230	3.6
71.04557	5.6
71.04984	2.9
73.02918	22.2
74.00682	3.0
75.79925	2.8
79.05490	4.3
81.03413	20.1
83.04998	5.8
84.04471	4.0
84.28792	2.7
84.96035	5.7
85.02912	74.0
86.09721	31.0
87.00829	15.5
87.04472	36.1
87.37519	2.8
91.03888	3.3
91.05472	4.2
97.02898	100.0
98.97616	6.9
99.04468	12.7
101.02312	2.9
103.03946	3.8
105.01864	11.8
107.04966	6.8
109.02883	21.6
110.27966	2.8
110.97588	3.7
111.04444	12.9
115.03941	58.1
116.98640	2.9
119.04937	6.3
123.04443	3.8
124.07567	3.8
127.03944	32.2
129.01904	3.9
133.04973	42.4
135.04401	3.5
137.02370	14.2
139.03903	28.9
145.05025	19.0
146.11769	16.7
147.02834	2.7
147.04428	21.1
150.07639	21.7
151.03894	3.5
155.03387	25.7
157.05008	11.9
159.02916	7.3
163.03941	8.1
171.06540	30.1
175.06049	3.9
175.92380	3.4
177.05495	6.6
181.04999	6.1
193.05009	4.6
195.06575	10.5
211.06044	16.2
213.07654	5.8
217.58397	3.0
221.01308	5.9
221.15135	3.4
229.05170	3.1
229.07079	16.2
231.05002	5.6
236.00966	3.1
237.07643	7.1
239.02339	20.0
239.16418	3.9
247.08217	9.9
257.03360	11.1
257.17456	11.4
261.07544	4.4
265.09134	6.1
279.01849	3.5
279.08731	11.2
395.02859	8.5
413.03897	6.7
413.20087	3.5
436.15726	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	436.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	77.6
57.03428	1.6
59.50780	1.4
69.03429	1.9
70.14644	2.7
70.15035	2.4
70.98138	1.7
74.97596	2.3
84.96045	18.4
85.02887	5.7
87.04455	1.6
91.05476	8.5
97.02898	1.9
98.97588	30.9
99.04433	2.1
102.97045	1.3
110.97574	18.1
114.97101	1.3
115.28388	1.5
116.98624	6.5
119.04943	17.5
124.99110	2.7
127.03910	3.1
128.98601	12.3
132.98094	2.5
133.03464	2.2
139.03902	3.2
143.00153	7.2
144.02029	1.3
144.98094	2.5
145.03452	3.2
146.03683	2.3
146.99640	3.6
147.03238	3.2
147.04413	55.9
148.04802	2.6
156.81325	1.3
156.98114	5.7
158.99684	6.7
159.00940	1.4
161.01212	2.8
163.00728	1.8
163.03899	6.4
168.98058	2.1
173.02872	1.2
174.99162	4.9
175.00491	1.4
177.00769	2.9
177.02290	3.5
179.00148	2.1
187.02850	1.3
187.04591	1.7
188.97107	1.8
189.00694	1.4
191.00157	4.3
193.00267	1.7
193.01746	3.7
195.03268	9.3
202.98599	2.1
203.00214	8.3
205.01794	6.9
209.01212	3.5
211.02750	2.2
213.04398	4.9
217.01756	2.0
219.01654	1.6
221.01202	34.2
221.02960	3.0
222.08559	1.4
223.02866	6.7
235.02773	8.1
239.02277	100.0
240.02495	1.4
245.01279	4.1
248.66942	1.3
248.98961	3.2
251.02023	1.6
253.03821	12.7
257.03369	35.9
262.03888	1.6
263.02277	7.0
267.00201	6.2
271.04858	2.1
277.00101	1.9
279.01727	10.5
281.03299	15.7
289.03857	2.6
291.01660	1.6
297.02875	5.3
299.04532	2.4
303.01770	4.0
305.03278	2.2
307.04663	3.9
309.02823	3.9
315.01630	1.6
319.01160	4.7
321.02829	7.8
333.02734	1.9
335.00558	2.3
339.03787	2.9
351.03979	2.7
377.01813	25.4
395.02850	31.7
413.03964	22.3
436.09695	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	435.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.8
53.03945	0.9
53.47313	0.9
55.01841	0.9
55.05512	12.1
57.03423	1.4
57.07065	2.6
59.04971	0.9
59.98209	0.8
65.03972	0.9
67.05183	1.1
67.05505	15.5
67.55317	0.9
68.07758	0.8
69.07066	18.0
69.27994	0.8
69.50620	6.4
71.04984	1.8
71.08627	0.9
79.05492	7.5
79.12985	1.0
81.03394	2.6
81.06593	1.2
81.07062	22.6
83.04966	1.8
83.08619	11.8
85.06525	2.4
86.39653	0.8
89.43040	0.8
91.04983	1.2
91.05486	16.4
93.07055	8.9
95.04966	3.9
95.08611	15.7
97.06508	3.0
97.10184	11.8
99.08115	1.1
105.07063	6.8
107.04969	1.7
107.08607	5.4
109.10162	8.7
111.08121	1.4
111.11747	5.8
112.36765	1.0
117.06996	1.8
119.04942	23.7
119.08569	7.4
121.06480	1.1
121.10167	7.7
123.08023	1.2
123.11703	3.1
125.09611	1.5
125.13279	1.9
129.06981	0.9
131.08527	1.8
133.06499	1.2
133.10133	7.5
135.11691	7.7
137.09651	2.0
137.13220	1.9
139.11194	1.5
143.08609	1.1
145.10143	1.2
147.04417	100.0
147.11662	4.9
149.13295	1.7
151.11174	2.3
151.14824	1.9
153.12708	2.7
157.10100	1.4
157.12254	1.1
161.09674	1.0
161.13243	3.8
161.48242	0.9
165.05493	18.1
165.12761	2.5
175.14871	1.3
176.13950	1.0
179.14308	2.9
193.19498	1.6
217.19560	12.9
235.20547	13.9
241.71223	0.9
244.68727	0.8
253.21649	11.5
303.04865	3.1
337.70221	1.1
343.22681	3.9
390.13690	0.9
417.26346	2.8
428.15744	0.9
435.27274	7.2
435.38586	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2746
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.81120	1.0
53.03952	1.3
55.01864	1.0
55.05272	1.1
55.05518	13.5
56.90108	0.9
57.03446	1.0
57.07083	3.6
65.03954	1.5
67.05510	15.1
67.05845	1.6
69.07076	19.4
70.20673	3.6
71.04995	1.3
71.08648	1.2
79.05490	9.0
81.03436	1.1
81.07066	19.6
83.04969	1.2
83.08630	14.3
85.06546	1.9
89.06084	1.0
91.05483	15.6
93.07056	9.8
95.04986	5.8
95.08615	16.6
97.06547	3.0
97.10180	14.9
99.08101	2.3
103.05524	1.0
105.07041	6.1
107.04943	2.1
107.08592	7.0
108.85138	0.9
109.06526	2.4
109.10158	9.6
111.08100	1.5
111.11720	6.5
117.07043	1.9
118.49703	0.9
119.04955	24.5
119.08592	8.6
121.06525	1.6
121.10156	8.8
123.08128	1.2
123.11730	2.7
125.09645	1.7
125.13284	2.7
129.09077	1.1
131.08580	2.4
133.10121	5.7
135.11720	8.2
137.09616	1.8
137.13264	2.0
139.11157	3.1
143.08575	1.3
145.10143	1.8
147.04425	100.0
147.11711	7.6
149.13252	2.3
151.11227	1.8
151.14830	1.9
153.12808	2.4
155.10687	0.8
161.13289	3.8
163.11240	2.0
163.14767	1.0
165.05527	5.8
165.12773	2.6
171.11725	1.5
171.13792	1.2
173.13426	1.1
175.14857	2.5
179.14359	2.4
193.19560	2.0
205.12247	1.1
217.19522	12.1
229.27226	0.9
235.20598	14.4
253.21625	12.3
271.22791	2.5
303.04849	1.9
343.22675	5.2
361.23972	1.1
417.26260	4.7
435.27481	12.1
435.33075	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2743
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03955	3.0
55.01883	8.0
55.05268	1.9
55.05518	26.5
57.03447	11.2
57.07060	1.5
65.03934	1.8
67.05511	43.6
69.03428	4.1
69.07079	15.0
70.78606	3.5
71.04998	5.0
79.05499	34.7
81.03418	5.2
81.07059	39.5
83.04979	5.3
83.08621	11.0
85.02915	2.3
85.06557	3.6
91.05491	37.3
93.07050	30.5
95.04977	61.0
95.08610	24.5
95.09175	2.2
97.02883	1.4
97.06527	6.6
97.10184	14.7
103.05466	2.6
105.07037	29.5
107.04964	25.5
107.08605	21.3
109.06531	10.2
109.10173	16.0
111.08104	3.9
113.06033	1.5
115.05542	2.0
117.07047	14.5
117.95977	1.4
119.04970	2.0
119.08598	17.9
121.06517	22.3
121.10166	9.3
123.08061	9.0
123.11671	2.0
125.09643	11.7
129.07013	13.0
131.04961	3.6
131.08568	23.6
133.06512	5.3
133.10141	16.3
135.08075	8.9
135.11700	6.3
137.09610	2.0
139.07576	1.8
141.07011	3.8
143.08575	12.5
145.06503	8.6
145.10126	16.0
147.08032	10.0
147.11691	6.4
149.09668	5.5
151.11197	2.7
152.29843	1.4
153.12787	2.0
154.10440	1.4
155.08574	3.5
157.06462	2.5
157.10172	7.9
159.08072	3.5
159.11667	8.7
161.09651	5.8
161.13310	2.0
163.11191	10.4
167.08600	1.6
169.10159	5.5
171.07961	2.7
171.10373	2.4
171.11679	11.1
173.09636	3.0
173.13266	7.1
175.11227	4.8
177.12790	2.4
181.10152	1.4
183.11745	3.2
185.09674	3.3
185.13286	5.2
187.11183	4.3
187.14787	1.3
189.09166	3.1
189.11240	5.8
189.12816	5.0
191.14282	1.9
193.12323	2.0
195.11707	2.9
197.13341	2.8
199.11212	3.3
199.93146	1.3
201.12785	2.4
203.14357	2.5
205.12276	3.9
207.13812	2.3
209.13269	1.7
211.14841	2.0
213.12875	3.5
215.14284	1.6
217.12407	2.8
217.14398	4.8
219.13889	1.6
223.13341	4.6
227.12723	2.3
231.13901	4.8
233.15459	2.6
245.15413	2.3
249.14900	4.4
259.16968	3.7
263.16476	2.2
279.15878	1.5
297.18417	1.4
297.22043	2.2
303.04987	2.0
305.17505	2.0
315.23215	6.1
325.21655	15.3
333.24136	2.4
343.22687	89.3
353.24936	1.7
361.23776	23.2
363.23373	1.7
371.26089	1.9
379.25009	1.7
381.24283	4.5
391.24728	3.3
399.25244	7.3
405.26318	1.6
417.26379	74.7
418.26767	1.8
433.09225	1.6
435.27484	100.0
436.27322	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1295
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
55.01847	0.4
60.12030	0.3
63.00395	0.3
67.01868	0.8
68.99793	0.7
69.03420	0.5
69.42453	2.8
81.03416	0.7
84.35455	0.4
85.02910	1.2
91.05494	2.9
93.10278	0.3
95.04977	1.7
97.02917	0.7
107.04964	1.5
107.67067	0.4
111.04448	0.8
119.04949	9.4
121.02863	0.7
123.04437	2.1
127.03933	0.6
135.04430	0.4
135.11710	0.4
137.02382	3.0
139.04021	0.4
139.46555	0.3
147.04428	39.8
153.01848	59.5
154.02222	0.4
163.03961	2.6
171.02930	1.2
179.03426	0.6
189.05482	0.9
195.02924	0.8
210.82494	0.4
211.44112	0.4
231.06648	0.5
237.18568	0.7
255.06471	0.7
271.05972	3.0
271.08337	0.4
272.06332	2.1
273.07611	100.0
274.07846	1.9
298.97412	0.4
303.05008	3.3
303.08682	2.7
303.57162	0.4
435.12616	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.4
55.05507	2.3
65.03928	2.2
67.05510	7.2
68.99783	4.0
69.03411	5.6
69.07041	3.6
71.04970	4.0
71.05410	2.0
73.02912	3.1
79.05495	13.1
79.89043	1.4
81.03413	4.6
81.07063	7.0
83.04967	4.6
85.02900	7.1
87.00855	2.1
91.05500	9.9
92.05791	1.4
93.07045	12.8
94.07373	2.4
95.04967	3.2
95.08610	6.7
96.08946	2.1
97.02897	3.4
97.06527	5.2
99.04375	1.3
99.08030	1.3
103.05447	1.6
105.07037	10.9
106.07384	1.2
107.04969	12.6
107.08603	8.0
107.29037	1.3
108.08923	1.7
108.54581	1.4
109.02892	2.6
109.06527	2.5
109.10156	6.3
110.10481	1.9
111.00790	4.1
111.04438	3.9
111.08051	1.9
112.08421	1.5
115.05431	3.5
117.06991	4.7
119.04951	2.6
119.08591	10.1
120.08912	4.2
121.02847	1.9
121.06490	2.5
121.10155	11.6
122.10490	5.7
123.04445	11.7
123.08089	1.5
123.11716	1.5
124.12094	1.6
125.05966	2.0
127.03106	1.1
127.03955	8.6
127.11216	1.3
128.06241	2.4
129.06995	4.6
131.08543	9.3
133.06509	4.2
133.10103	7.5
134.10451	2.9
135.04395	5.8
135.07988	1.4
135.11708	1.8
137.02325	2.2
137.05942	1.7
139.03906	100.0
141.06973	1.4
143.08578	2.7
143.10667	2.0
145.06451	3.8
145.10143	6.0
146.10535	2.1
147.04407	3.2
147.07983	2.5
147.11682	4.3
148.12036	1.6
149.06050	2.8
149.09610	6.6
149.13187	1.6
151.03912	15.6
151.11179	1.3
153.01814	2.6
153.12737	3.3
157.06601	2.0
157.10129	3.2
159.08023	4.2
159.11743	4.2
160.12047	3.3
161.06015	8.5
161.09613	4.4
161.13274	4.5
162.13554	2.8
163.03918	29.5
163.11151	3.2
165.01747	1.6
165.05418	2.2
167.07098	10.0
167.14333	3.8
168.14648	3.4
169.04947	2.7
173.06055	1.9
173.09615	3.3
175.03899	1.7
175.07526	1.9
175.11150	2.5
176.04689	1.4
177.05453	4.6
177.09114	23.0
179.03365	5.1
181.04987	17.9
185.09645	3.3
187.03961	1.5
187.07593	1.8
189.05453	3.7
189.09068	6.1
191.03285	2.2
191.07011	1.7
191.09178	1.4
191.10732	2.5
195.08052	1.7
201.05544	6.8
201.16382	4.5
202.16743	7.7
203.10689	4.3
205.04913	2.5
213.05412	5.1
213.09195	1.7
217.05020	2.6
217.08710	2.4
219.10051	2.9
219.17450	6.7
220.17683	8.1
223.07594	2.0
227.07053	3.6
227.10481	1.5
229.05009	2.1
231.10173	4.7
233.08113	5.6
235.09663	3.7
237.18475	8.8
238.18851	8.8
239.07056	4.2
240.07840	1.9
241.12529	8.1
242.12935	13.9
242.60759	1.6
243.06493	1.8
247.06047	1.6
251.06984	1.4
255.11082	1.6
259.09650	5.8
263.09113	2.1
267.06470	2.8
269.08307	1.8
269.11734	8.0
271.06055	1.6
273.07413	3.8
273.11356	2.7
283.13315	17.1
285.15018	2.7
289.07303	1.4
291.12192	3.7
293.11621	5.7
295.06046	2.8
296.06693	3.7
297.07669	2.0
297.11130	3.6
303.04990	26.5
311.12717	8.6
315.12408	1.8
321.11261	7.7
329.13861	5.0
339.08356	2.5
339.12283	37.2
357.13351	33.6
367.11859	11.6
371.15005	9.2
375.16766	3.0
385.12921	21.5
397.56198	1.3
399.14444	19.7
403.13834	10.9
417.15512	15.0
435.17236	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	435.1293
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
50.04672	1.0
55.01867	0.9
55.05509	1.1
61.02933	1.0
68.99808	0.9
69.03429	3.2
70.08538	3.6
71.04996	1.1
72.78821	0.8
81.03410	1.1
81.07049	2.4
85.02916	7.7
91.05471	3.4
93.02788	0.8
93.07071	1.6
95.04955	1.1
95.08589	1.9
97.02889	3.3
100.11275	0.9
107.04927	2.3
109.02913	1.3
109.10148	1.5
119.04967	8.9
119.79970	0.8
121.02912	1.3
123.04449	3.0
127.03967	1.1
135.11726	1.2
145.04979	1.6
147.04425	34.1
147.11722	0.9
153.01845	75.3
153.12762	4.6
155.77197	0.7
159.28882	0.7
165.01842	1.6
167.89043	0.7
171.02878	1.5
177.01949	0.8
179.03426	1.0
181.04948	1.5
189.05531	1.1
191.03537	0.8
195.02931	3.6
203.17984	2.7
210.14859	1.0
219.02975	1.4
231.02817	1.4
244.93701	0.8
261.04068	0.9
265.27255	0.8
273.07593	100.0
274.07956	1.5
285.07501	1.2
303.05032	2.9
322.08490	0.9
339.08588	1.0
351.08554	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1289
Annotation	2',4,4',6'-Tetrahydroxychalcone 4'-O-glucoside
Peak:m/z	Relative Intensity
50.59366	1.5
53.03936	1.5
55.01878	2.5
57.03444	9.9
57.33714	1.3
58.03773	1.8
59.05016	2.5
61.02916	3.1
67.05496	2.4
68.78810	1.5
68.80003	1.3
68.99792	3.5
69.03085	2.6
69.03434	30.9
69.49751	3.3
69.50149	8.9
70.03754	4.4
71.05000	3.1
73.02917	2.0
79.05500	3.5
81.03419	6.5
81.07053	4.4
83.04967	4.8
85.02915	44.2
85.16708	1.4
86.03233	5.7
86.09712	1.8
87.04478	17.5
88.04794	4.3
91.03950	1.9
91.05489	8.9
93.07037	2.3
94.56851	1.4
95.04979	6.5
95.08619	1.8
97.02898	21.7
98.03223	6.3
99.04443	1.7
105.07037	2.7
106.07310	2.1
107.04990	3.0
107.08599	2.9
109.02880	6.9
111.04443	5.7
115.03939	28.5
116.04269	8.6
119.04969	22.9
119.08601	1.6
121.02888	8.4
121.06519	2.0
121.10109	1.4
123.04430	8.9
123.11755	2.5
125.02319	2.5
127.03922	4.5
127.39661	1.5
128.04240	2.7
133.04973	26.2
133.10106	2.5
134.05310	9.1
139.03894	6.3
145.04980	11.1
145.10260	2.0
145.17662	1.4
146.05240	2.7
147.04427	89.8
147.11766	1.6
149.02385	2.0
150.07596	5.3
151.03949	3.5
151.07794	1.5
151.11160	1.9
153.01840	69.2
163.03851	4.0
163.06049	3.5
165.01852	25.9
165.05515	3.0
167.07025	3.1
169.12178	1.9
171.02887	2.6
175.03839	1.6
177.01810	7.8
179.03372	2.4
183.02979	9.7
189.01886	2.7
189.05574	1.6
191.03407	11.7
195.01141	2.8
195.02911	51.4
205.04965	2.1
215.03357	1.9
219.02911	19.3
219.17407	2.9
220.17673	3.2
231.02907	17.9
233.04572	2.2
243.02843	4.4
249.03922	6.7
257.12479	2.0
261.03976	13.3
273.07605	100.0
279.05051	5.8
285.07571	21.0
286.13611	1.8
297.07739	9.4
303.05383	1.6
303.08633	21.3
315.08636	11.3
321.09549	2.5
339.08655	19.5
351.08679	12.6
363.08582	4.2
369.09341	1.8
379.05695	1.5
381.09723	7.0
399.10843	6.9
417.11368	2.1
435.12482	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04672	1.0
55.01867	0.9
55.05509	1.1
61.02933	1.0
68.99808	0.9
69.03429	3.2
70.08538	3.6
71.04996	1.1
72.78821	0.8
81.03410	1.1
81.07049	2.4
85.02916	7.7
91.05471	3.4
93.02788	0.8
93.07071	1.6
95.04955	1.1
95.08589	1.9
97.02889	3.3
100.11275	0.9
107.04927	2.3
109.02913	1.3
109.10148	1.5
119.04967	8.9
119.79970	0.8
121.02912	1.3
123.04449	3.0
127.03967	1.1
135.11726	1.2
145.04979	1.6
147.04425	34.1
147.11722	0.9
153.01845	75.3
153.12762	4.6
155.77197	0.7
159.28882	0.7
165.01842	1.6
167.89043	0.7
171.02878	1.5
177.01949	0.8
179.03426	1.0
181.04948	1.5
189.05531	1.1
191.03537	0.8
195.02931	3.6
203.17984	2.7
210.14859	1.0
219.02975	1.4
231.02817	1.4
244.93701	0.8
261.04068	0.9
265.27255	0.8
273.07593	100.0
274.07956	1.5
285.07501	1.2
303.05032	2.9
322.08490	0.9
339.08588	1.0
351.08554	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.129
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
52.56349	1.3
53.13894	1.0
55.01884	2.8
57.03428	6.9
60.98529	1.0
65.03949	1.9
67.05521	1.9
68.99795	3.2
69.03423	3.3
70.97485	2.2
75.20871	1.2
79.05510	2.0
81.03421	4.8
81.07106	1.6
83.04987	1.6
85.02917	24.5
85.37916	1.1
91.05508	5.7
93.03388	1.9
93.07045	2.1
95.04964	5.3
97.02906	2.4
103.03928	2.7
105.07046	1.8
107.04969	3.7
107.08574	1.8
109.02880	5.1
111.00799	1.6
111.04446	1.3
112.85244	1.3
119.04936	7.5
121.02894	16.3
121.06487	2.0
123.04466	8.5
125.02357	3.6
127.03906	1.6
131.08571	1.2
135.04424	2.8
137.06039	1.4
139.03958	7.8
141.01816	2.1
147.04431	28.9
149.02336	3.7
149.06000	1.6
151.04002	1.7
153.01830	7.4
161.06007	4.6
163.03894	9.3
163.07591	1.8
164.07884	1.3
165.01854	50.8
171.02928	2.8
175.03998	2.2
177.01834	16.1
179.03387	3.0
181.05014	1.5
183.02910	14.1
187.03905	1.3
189.01823	8.7
189.09064	2.3
191.03409	28.0
192.14751	1.2
193.01317	1.8
195.02905	100.0
201.09010	1.5
203.03392	2.7
205.05019	3.8
207.02846	2.9
207.10211	3.8
209.11806	3.4
210.12097	4.4
210.15727	1.7
215.03418	2.9
217.01299	1.9
217.40829	1.3
219.02901	43.3
231.02902	34.8
233.04404	4.0
233.08131	1.5
237.03993	1.4
237.11316	1.8
237.18474	1.8
238.11803	2.7
243.02838	9.8
249.03970	10.6
261.03964	25.9
273.07590	7.7
279.05005	8.1
285.07593	46.2
297.07715	20.1
303.05240	2.1
303.08594	5.3
309.07523	1.7
315.08643	21.6
339.08649	41.6
339.12451	1.4
351.08661	22.2
363.08713	9.3
369.09659	5.1
381.09714	14.0
399.10742	18.4
417.11761	3.3
435.12515	1.9
435.21820	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0925
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.01869	0.2
57.03446	0.8
61.02931	1.6
68.99788	0.6
69.03416	0.4
70.69123	0.3
70.69466	0.2
71.01349	0.5
73.02921	14.6
73.91588	0.1
78.29635	0.1
85.02902	0.4
87.04421	0.2
93.03391	0.3
95.04961	0.2
95.08669	0.1
97.16042	0.2
107.04986	0.2
109.02878	0.4
110.73919	0.1
111.00810	0.8
115.03954	1.2
118.11784	0.1
121.02873	1.0
123.04433	0.2
127.03882	0.2
135.04442	0.1
137.02354	3.4
137.03416	0.2
145.06416	0.2
149.02330	0.5
153.01831	4.1
153.03012	0.3
155.04924	0.2
161.06036	0.3
162.75447	0.1
163.03885	0.5
165.01826	2.1
166.02649	0.2
173.05968	0.5
183.02910	0.7
183.04427	0.4
187.03964	0.3
195.02950	0.3
201.05510	1.4
205.05017	0.2
215.14299	0.1
217.64804	0.1
219.06720	0.3
228.04214	0.3
229.04970	4.7
247.06116	0.7
255.06528	0.2
257.04480	2.8
274.04880	0.7
285.03995	1.3
303.04999	100.0
304.05350	1.3
328.07632	0.2
362.67133	0.2
386.69702	0.1
398.06683	0.1
399.07220	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	435.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
55.05512	0.1
57.03438	0.9
58.21143	0.1
59.05012	0.1
61.02929	1.7
65.03935	0.2
66.12971	0.1
66.98043	0.1
67.01871	0.1
67.05507	0.1
68.99789	0.6
69.00091	0.1
69.03428	0.6
70.86597	0.1
71.01349	0.4
71.04986	0.1
73.02917	14.1
79.05499	0.1
81.03416	0.2
81.07064	0.2
83.05005	0.1
85.02917	0.6
87.04486	0.2
87.92763	0.1
91.05499	0.1
93.03426	0.3
93.07066	0.1
95.04942	0.3
95.68214	0.1
97.02900	0.2
97.20432	0.1
105.07017	0.1
107.04960	0.4
107.08578	0.1
109.02858	0.5
109.10126	0.1
111.00804	1.0
115.03921	1.1
117.06968	0.1
119.04892	0.1
121.02872	1.0
121.10133	0.1
123.04457	0.4
127.03941	0.2
129.06978	0.1
131.04889	0.1
133.02841	0.1
133.04980	0.1
133.10187	0.2
135.04451	0.3
137.02339	3.6
137.03357	0.2
137.05977	0.1
139.03906	0.3
145.02855	0.1
145.06508	0.2
145.10114	0.1
147.04413	0.2
149.02345	0.6
149.13304	0.1
151.03920	0.1
153.01825	4.2
155.04922	0.2
157.06482	0.1
159.04289	0.1
159.11726	0.1
160.90686	0.1
161.06024	0.3
163.03912	0.7
165.01836	2.5
166.02637	0.3
167.03333	0.1
173.05997	0.5
177.01923	0.1
177.05525	0.1
179.03398	0.2
181.06459	0.1
183.02902	1.0
183.04453	0.2
185.06007	0.1
187.03955	0.4
191.03404	0.2
191.07062	0.1
194.02072	0.1
195.02904	0.4
199.12604	0.1
201.05475	2.0
205.04993	0.1
207.02939	0.1
211.03955	0.1
213.05518	0.2
215.03355	0.1
219.02895	0.3
219.06519	0.3
219.17526	0.2
228.04184	0.3
229.04961	4.8
231.02802	0.1
233.04652	0.1
237.18443	0.4
239.03401	0.2
245.04584	0.1
246.05205	0.1
247.06039	0.8
249.03973	0.1
255.06497	0.7
257.04431	3.0
258.05057	0.1
271.06085	0.2
272.06384	0.1
273.07416	0.5
274.04739	0.8
275.05530	0.2
279.05347	0.1
285.03961	1.5
286.04742	0.1
303.04980	100.0
304.05298	1.3
315.04843	0.1
369.06018	0.1
399.07004	0.2
435.19775	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	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
53.08067	0.7
55.01878	1.7
55.05514	4.4
57.03433	1.9
57.07071	1.1
61.02923	1.5
67.05503	4.6
69.03424	3.6
69.07077	5.7
70.97345	1.3
71.05003	1.2
73.02946	0.9
79.05495	7.3
80.05856	1.6
81.03424	2.1
81.07057	7.0
82.07415	1.0
83.08647	3.8
85.02899	11.9
91.05466	4.6
92.05825	1.2
93.07046	8.3
94.07349	1.0
95.04963	3.2
95.08608	17.1
96.05265	1.1
97.02898	2.9
97.06512	0.9
97.10163	4.0
105.07021	4.7
107.04983	0.8
107.08601	12.9
108.08964	1.1
109.02882	1.2
109.06567	1.2
109.10172	11.0
111.08067	2.2
117.07059	2.0
119.08578	2.8
121.06504	2.3
121.10155	18.1
123.11722	2.8
125.09621	1.4
127.03931	2.2
129.06961	0.9
130.07315	1.1
131.04922	1.0
131.08594	1.6
132.08934	0.9
133.06462	1.5
133.10117	1.5
134.06842	0.9
135.08165	0.9
135.11699	18.4
136.42371	0.8
145.04935	4.6
145.06519	1.3
145.10129	1.9
147.11682	3.1
149.09586	1.9
149.13287	3.0
150.09985	1.1
159.11711	2.2
161.13338	1.2
163.05981	1.5
163.11244	0.8
165.09196	0.9
168.17955	0.9
169.10124	0.9
172.11987	1.1
173.13243	1.0
175.40347	0.9
180.08698	3.7
191.17957	100.0
192.18279	1.4
201.16374	2.1
219.17421	6.5
237.18504	59.3
238.18771	1.3
254.21223	3.2
272.22290	2.3
324.20422	2.6
341.21048	1.2
342.21396	10.0
360.22449	1.2
381.22763	11.0
399.23810	3.5
416.25137	4.5
434.26187	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	434.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.05524	10.5
57.03432	1.8
59.04985	1.9
67.05516	9.6
68.82246	1.7
69.03436	4.9
69.07075	7.4
70.17066	5.0
71.04998	28.2
73.06551	2.9
79.05494	16.7
81.07057	33.3
83.08632	9.0
85.02890	9.6
85.06550	4.5
91.05472	13.1
93.07046	26.8
95.04935	2.1
95.08609	31.5
95.92274	1.7
97.02901	2.9
97.06506	4.6
97.10161	4.5
99.08096	8.0
100.58746	1.9
105.07029	40.1
107.08608	27.1
109.06513	3.1
109.10163	18.0
110.10512	1.9
111.52340	1.7
117.07013	1.8
119.08581	12.6
121.10142	19.5
123.11714	6.7
125.09634	28.9
127.07536	3.7
127.11211	5.7
131.08586	9.5
133.10136	86.3
135.11684	3.3
139.03938	5.0
143.10681	53.8
143.11826	2.6
145.10112	14.6
147.11690	16.9
149.13242	26.0
151.11217	7.9
155.10747	2.3
159.11694	11.1
161.13306	8.3
163.03949	1.8
163.11150	1.7
167.14328	84.2
169.12256	5.1
173.13368	2.9
179.18507	2.1
201.16371	16.9
219.17447	100.0
237.18515	24.0
258.05289	4.6
259.05606	7.7
260.27417	1.8
263.30753	1.6
273.07559	2.8
286.04733	6.2
287.05057	17.1
288.05658	1.7
301.07013	20.8
302.07401	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	434.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.05518	10.9
57.03440	1.5
57.07076	4.9
59.05023	2.3
61.02925	1.9
67.05518	8.4
69.03438	9.2
69.07076	10.2
70.97697	3.4
71.04996	18.5
71.26328	1.3
73.02954	1.8
73.06538	2.3
79.05514	11.3
81.03427	2.3
81.07058	21.0
83.04549	1.7
83.05003	3.6
83.08634	10.8
85.02924	12.6
91.05477	11.6
92.69102	1.6
93.07056	25.5
95.04977	2.6
95.08621	36.8
97.02870	4.8
97.06541	6.5
97.10196	3.1
99.08125	3.2
105.07040	33.8
107.08610	27.7
109.06543	2.8
109.10169	15.9
111.08106	2.8
116.88213	1.9
117.07030	3.3
119.08591	23.6
121.10152	23.9
123.08074	2.8
123.11712	8.0
125.09646	11.6
127.03945	2.9
127.11214	3.3
131.08601	7.5
133.10138	36.0
135.08124	1.8
135.11688	5.7
137.09621	3.5
139.03932	6.4
139.78940	1.5
140.04248	3.6
143.10678	16.8
145.04950	2.7
145.10147	15.1
147.11694	23.8
149.09677	2.6
149.13258	28.6
149.14366	1.7
151.11226	4.5
157.10088	2.9
159.11708	13.5
161.13281	6.3
163.11116	1.9
167.14333	100.0
168.14648	1.6
171.11705	2.4
173.13290	5.4
175.14751	1.8
182.45053	1.5
185.15395	2.9
187.27956	1.7
191.14357	2.9
191.17993	3.0
197.09871	1.8
201.16415	15.5
203.18079	2.2
219.17477	44.0
223.11336	2.4
237.18509	11.3
241.12570	34.6
271.06058	2.2
272.06372	3.8
288.05994	2.8
303.05099	3.7
312.56805	1.5
338.10941	1.8
363.21710	2.4
447.08539	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.6
58.25698	3.1
61.02915	2.9
61.20204	2.4
67.05499	9.3
69.03436	12.2
69.07073	12.0
70.84949	6.5
71.04990	11.4
71.18927	2.2
79.05497	10.1
80.80356	2.8
81.07064	26.4
83.04973	3.5
83.08614	2.7
85.02910	11.1
87.00813	3.0
91.05485	12.1
93.07056	37.4
95.04964	5.8
95.08626	31.1
97.02949	3.3
97.06542	6.2
105.07038	33.0
107.08585	25.4
109.06523	6.0
109.10174	41.2
111.08088	13.5
117.07044	5.5
119.08596	73.3
121.06502	4.1
121.10157	95.3
123.11700	9.6
125.09616	8.4
127.03925	5.0
131.08583	9.8
133.10135	29.2
135.11708	6.4
139.03917	9.2
139.11137	2.9
143.10678	6.7
145.10135	22.9
147.11740	12.9
149.09633	6.3
149.13268	18.6
151.11205	9.9
153.01868	3.2
159.11710	33.1
161.13249	31.6
163.11179	3.8
167.10684	7.3
167.14323	22.7
169.12245	3.3
173.13257	9.1
175.14818	3.7
177.12709	3.2
177.16454	3.6
191.14240	4.4
191.17906	4.5
201.16408	76.3
209.15262	3.5
211.82726	2.3
219.17453	49.3
223.11542	3.6
224.94942	2.8
237.18523	100.0
241.10170	4.2
241.12592	74.4
272.06464	4.9
303.04996	7.5
388.72028	2.9
434.27747	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	434.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.01883	3.3
55.05513	20.8
57.03443	2.5
57.07079	6.8
61.93787	1.9
63.47083	2.0
67.05510	19.7
67.16841	1.9
68.04774	2.0
69.03445	3.4
69.06794	1.9
69.07083	22.6
69.81741	2.1
70.64140	6.2
71.05003	5.2
78.91547	2.0
79.05507	15.2
81.03404	2.4
81.07059	37.8
82.07322	2.2
83.05003	4.9
83.08629	16.8
83.40984	2.0
85.02929	13.6
85.06541	6.7
91.05480	13.5
93.07055	39.0
95.04975	6.1
95.08613	42.2
97.06554	7.6
97.10175	26.0
97.63580	2.1
99.08099	4.3
105.07048	17.3
106.07371	2.9
107.04988	4.7
107.08601	56.9
108.35931	2.0
109.06531	6.2
109.10163	26.4
111.08094	7.7
115.11228	3.6
117.07014	4.0
119.08585	15.0
120.08943	2.2
121.06512	2.8
121.10152	56.8
121.60271	2.5
123.08055	5.3
123.11726	23.7
127.03970	2.7
127.07594	3.2
129.07040	2.8
131.08556	6.8
133.06503	4.4
133.10159	16.2
135.08043	5.2
135.11696	23.3
137.13266	5.0
139.03918	11.1
139.07562	13.9
139.11147	2.4
140.04263	4.6
140.38974	2.1
141.09129	3.2
145.06505	3.0
145.10121	11.9
147.04439	2.4
147.11694	5.1
149.09616	7.3
149.13264	3.4
150.10007	2.9
151.11240	4.6
153.09113	19.1
155.10687	5.1
159.11754	9.3
161.13269	12.5
163.11195	6.8
167.10719	9.8
173.13303	3.9
175.14783	12.0
177.16403	100.0
181.12271	17.9
191.17972	16.3
195.17473	3.6
201.16360	16.9
219.17444	49.9
237.18515	94.3
255.19592	82.2
255.21628	1.8
255.22346	2.9
272.06332	3.4
293.54398	2.7
324.20468	3.7
342.21542	14.4
416.25171	7.2
434.26300	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	434.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.9
56.96566	8.1
61.02928	1.9
65.03935	1.7
67.05505	8.0
69.03441	6.2
69.07065	2.1
69.44391	9.8
71.05013	2.5
79.05477	1.5
81.07051	3.8
83.01306	1.3
83.04968	3.3
84.08107	1.7
85.02906	13.6
91.05476	3.4
93.07033	3.6
95.04980	13.1
95.08585	5.7
97.02888	3.6
97.06534	4.1
98.21538	2.1
98.97588	3.6
99.04449	4.5
105.07042	4.0
107.08616	7.2
109.02894	1.5
109.06510	1.9
109.10181	4.5
111.04453	2.3
111.08134	1.6
119.04942	3.4
119.08613	8.6
121.06520	2.8
121.10140	3.1
123.08068	4.6
127.03917	4.0
131.08554	2.8
133.10121	5.8
135.04489	1.6
135.08058	16.6
135.11719	1.4
137.09619	5.7
139.03880	3.7
141.09158	1.8
143.00142	2.6
144.09352	2.2
145.04961	4.3
145.10144	1.4
147.04436	13.0
149.09618	4.0
149.13246	2.0
159.11734	8.3
159.12856	1.4
161.09602	8.7
161.13277	2.4
163.03886	5.8
163.06126	1.9
165.09129	1.9
169.08548	2.2
170.99629	2.6
173.13271	5.2
177.05426	1.5
177.12735	7.9
179.10648	2.8
189.00717	2.3
189.12744	1.4
191.14319	3.1
201.12759	3.0
217.06841	1.3
218.99776	1.3
219.01750	2.5
219.13817	100.0
220.14040	1.8
223.36395	1.2
237.00772	7.5
237.02826	2.1
237.14856	56.4
237.17293	2.7
255.01701	7.2
255.15938	2.4
272.11340	1.7
273.02795	5.0
282.09698	1.6
287.87170	1.4
355.11118	1.3
376.58521	1.4
381.19180	2.0
411.06094	3.4
429.07230	7.7
434.16867	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	434.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46343	1.9
53.03950	3.0
57.03443	4.2
61.02920	4.3
65.03937	2.4
65.74058	2.1
67.05490	3.7
68.99802	2.3
69.03438	11.7
70.06589	5.9
71.04968	2.9
71.37678	4.3
72.93790	6.0
73.02932	2.9
79.05479	3.0
81.03433	10.8
81.07043	2.5
82.06573	3.0
83.04968	3.5
84.08139	2.8
85.02917	27.1
86.09721	5.2
86.31824	2.1
87.04485	3.9
91.05509	13.2
95.04965	4.9
97.02883	11.0
99.04467	2.3
105.07016	4.3
107.04995	3.4
107.08614	5.0
108.24583	2.1
109.02894	5.9
111.04422	2.8
113.02390	48.5
115.03943	10.0
119.04945	27.5
119.08549	3.4
121.06480	2.7
122.06062	2.8
123.04467	3.1
125.05958	2.2
127.03941	14.2
128.07059	8.6
131.08583	11.0
132.04446	5.8
133.04890	2.5
137.05943	4.7
145.04991	17.7
145.10132	4.9
147.03264	5.1
147.04431	100.0
149.09685	6.3
150.05641	3.1
151.07518	4.3
152.96481	2.9
163.06062	2.2
183.04802	2.4
191.10728	5.6
202.97949	2.5
209.11777	31.5
218.97371	8.8
222.96864	2.6
236.98463	3.1
254.99367	2.4
259.08136	5.5
272.06485	2.6
272.11276	14.0
277.08975	2.9
303.08655	8.3
313.01459	4.7
329.01001	3.0
330.99066	7.3
343.13889	2.2
347.02017	3.7
349.00110	8.8
357.00623	3.4
365.03110	4.8
367.01273	2.8
375.01483	5.4
393.02579	4.5
411.03421	6.7
434.10031	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	434.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01877	1.2
56.35873	0.6
57.03423	2.5
57.81892	0.7
61.02920	1.3
62.00308	0.6
63.57124	0.6
69.03434	8.0
71.04988	2.5
71.10828	1.5
73.02924	4.1
74.09717	8.5
79.05455	0.6
81.03419	4.4
83.04964	0.7
85.02909	3.1
90.93536	0.6
91.05484	2.0
94.06561	1.4
97.02885	1.3
99.04461	6.7
101.06032	0.9
104.05000	0.8
106.06583	0.8
113.05999	5.9
115.03934	1.1
117.05485	4.3
118.06551	5.0
119.04932	2.4
120.04466	13.5
122.06032	5.4
124.07561	0.8
128.07176	0.6
130.06525	1.5
132.04457	46.1
133.04895	0.9
134.06021	5.6
138.05515	3.7
139.03963	1.0
144.08063	0.9
146.06010	4.6
147.04427	6.4
150.05513	18.7
154.06531	1.1
158.06027	2.6
170.05981	1.2
172.07608	8.2
176.07086	0.9
176.98387	0.7
177.05511	0.8
190.08675	2.1
200.07065	5.6
218.08122	17.8
218.97424	1.5
236.09264	4.1
236.98520	1.0
254.10229	7.7
260.98495	1.0
272.11307	100.0
273.11746	0.9
286.99963	2.0
347.02203	1.0
393.03024	1.3
434.14368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61435	1.5
55.01874	2.7
57.03438	17.3
59.05000	3.1
60.04522	1.8
60.35610	1.3
61.02919	3.6
67.05517	1.6
69.03436	70.4
69.45084	2.5
69.45487	6.7
71.04983	2.5
73.02904	2.7
75.04451	2.6
78.23325	1.1
81.03404	4.5
81.07060	2.3
82.06571	1.5
85.02914	63.2
87.04475	50.2
91.03981	3.0
91.05446	1.9
93.07072	2.3
95.04953	1.3
97.02901	59.1
97.03528	3.1
99.04453	1.7
99.25896	1.4
103.03967	2.3
105.07011	5.0
107.08569	2.1
109.02913	2.9
115.03941	88.6
119.04926	1.5
119.08577	1.9
121.10142	2.5
123.11859	1.1
127.03928	11.2
133.00439	1.4
133.04976	100.0
133.10091	2.0
135.11751	1.7
142.08614	2.2
145.04979	23.2
145.06049	2.5
145.10135	1.9
147.04414	4.8
150.07628	13.7
153.01758	2.1
154.08661	2.3
160.96152	1.2
161.13249	1.5
163.06042	9.6
169.04999	3.2
171.08046	2.1
187.06058	1.2
195.02982	1.3
201.09155	2.0
201.16377	3.8
207.23135	1.3
219.10197	2.3
219.17450	5.2
241.07048	3.1
255.12227	2.2
259.08118	5.8
267.70184	1.3
273.07504	3.8
277.09216	3.6
285.07471	1.4
285.13477	1.9
295.10260	3.4
355.06717	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.9
55.01863	1.4
55.05507	6.3
56.96554	1.3
57.03419	1.0
61.02930	1.5
65.03909	1.0
67.05508	7.9
69.03426	5.1
69.07067	3.9
71.04994	2.3
71.45261	1.5
73.02934	1.0
79.05483	2.4
81.07052	3.7
82.37199	0.8
82.48227	0.8
83.04980	6.0
85.02905	16.1
89.15625	1.1
91.05473	4.2
93.07048	5.3
95.04970	18.3
95.08624	4.5
95.09123	0.9
97.02863	2.7
97.06515	5.2
98.97567	2.1
99.04448	4.2
105.07014	6.6
107.08604	8.0
109.02895	2.0
109.06499	3.5
109.10148	5.8
111.04457	2.3
111.08079	2.4
117.07006	1.0
119.04935	3.4
119.08580	13.2
121.06503	2.5
121.10163	4.8
123.04383	1.0
123.08092	4.7
127.03918	2.8
131.08540	4.2
133.10141	7.9
133.36415	1.0
135.08057	17.7
135.11674	1.3
137.09598	6.0
139.03886	1.4
139.11139	1.4
141.09105	1.8
143.08560	1.7
145.04924	2.6
145.10143	2.6
147.04420	11.3
147.08017	1.8
147.11647	1.6
149.09602	3.8
149.13240	3.1
151.07498	3.4
158.10770	0.9
159.11702	7.2
161.09651	12.0
161.13243	5.6
162.10416	1.1
163.03870	2.0
163.06050	1.8
163.07654	0.9
164.04227	1.1
165.09091	1.9
169.08629	1.2
173.13281	5.3
175.11427	1.1
177.00702	2.6
177.09167	2.0
177.12752	10.6
179.10652	3.7
189.12685	1.9
191.14278	3.7
195.01872	0.9
201.12746	3.2
217.33394	1.0
219.13800	100.0
220.14110	2.5
237.00710	1.5
237.14859	69.8
255.01855	1.9
255.16000	1.5
272.11426	1.3
381.19064	2.8
434.12534	1.1
434.17331	14.2
434.23361	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2588
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
55.05499	4.2
59.75902	1.3
67.05508	23.3
67.51012	1.2
69.07059	3.0
70.21832	2.8
70.22219	3.1
71.53725	1.0
75.54537	1.6
79.05489	6.3
81.07063	28.1
83.08622	3.6
86.19293	1.1
88.86792	1.3
91.05487	15.4
93.07063	6.0
94.19866	1.2
95.08619	30.2
97.06570	2.5
97.10123	2.5
103.75604	1.2
105.07027	4.7
107.08581	5.9
109.10162	18.3
111.08098	1.8
111.29610	1.1
117.07042	1.2
119.04959	25.5
119.08585	5.2
121.10153	6.6
123.04441	1.3
123.11711	7.7
131.08606	2.6
133.10136	5.0
135.08014	1.5
135.11699	7.6
137.09618	2.7
137.13266	2.9
145.10075	2.0
147.04424	100.0
147.11665	1.2
149.09592	1.5
149.13284	2.7
151.11221	3.9
155.10741	1.5
159.11670	2.3
165.05510	24.7
181.12209	1.7
195.13860	2.2
215.18008	8.9
226.66315	1.3
233.19023	6.7
251.20090	19.4
277.54767	1.4
316.52411	1.4
433.30164	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
54.98677	0.4
56.05036	1.1
59.85676	0.4
67.05504	0.9
68.99795	1.6
69.03435	0.6
69.07086	0.6
70.06602	1.3
71.04989	0.5
71.53866	0.8
72.24925	0.4
74.05666	0.8
74.06088	16.1
74.45758	0.3
77.03934	0.7
79.05504	0.7
81.07059	1.2
83.05002	0.6
84.04498	0.8
84.08160	0.4
85.02911	1.4
85.06527	0.9
86.09721	0.8
88.04647	0.4
91.05484	1.7
93.07038	0.9
95.04972	1.4
95.08611	0.6
97.02899	0.4
98.06073	1.0
102.05563	3.3
105.03394	1.2
105.07040	1.1
107.04955	1.7
107.08638	0.8
108.08956	0.5
111.00817	2.1
111.04434	0.7
115.07558	0.4
116.07110	5.6
117.07041	0.7
119.04978	1.2
119.08557	0.7
120.06597	13.1
120.08031	0.7
121.10153	0.7
123.04445	100.0
124.04789	0.7
124.07672	0.5
127.03957	1.3
131.08609	1.0
133.06512	0.5
133.10156	0.8
135.04448	4.2
135.11705	0.6
139.03918	15.2
144.06587	5.5
145.04977	0.6
145.06560	0.6
145.10149	1.3
147.04437	11.0
147.11775	0.4
151.03944	2.2
151.07564	13.7
153.05496	1.8
154.05923	0.5
158.08182	0.7
159.11754	1.0
161.06036	0.7
161.09697	0.9
162.06284	0.8
162.07642	14.2
163.03926	2.9
163.07559	1.8
163.11264	0.5
165.05510	1.2
185.08104	0.6
186.08412	0.9
189.05463	2.1
199.07639	0.7
201.16315	0.8
205.72356	0.4
206.01434	0.5
207.10146	0.6
209.11684	0.6
218.97540	0.8
219.17461	1.4
227.06966	1.0
227.16524	0.5
237.18518	0.8
249.11246	0.6
255.06560	1.3
272.06583	0.5
273.07602	40.0
283.06195	0.7
284.06326	0.8
296.11414	3.3
314.07349	1.0
338.07343	0.6
393.02649	0.8
411.03412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19345	0.7
53.03925	3.1
55.01878	9.7
55.05515	29.9
57.03441	8.0
57.07073	1.2
57.07384	0.6
59.04963	0.7
60.33089	0.8
65.03932	1.4
67.05510	35.4
69.03439	5.1
69.07072	11.0
71.05007	3.9
71.53821	0.8
73.02899	1.1
77.03910	1.0
79.05500	42.7
81.03426	7.6
81.07061	33.3
83.04990	6.2
83.08163	0.9
83.08625	13.8
85.02895	1.3
85.06515	1.8
91.05485	37.1
93.07049	31.8
95.04974	29.6
95.08073	1.1
95.08615	14.7
97.02861	0.8
97.06532	4.8
97.09552	1.2
97.10175	22.7
99.08081	1.8
103.03953	0.8
103.05460	2.2
105.03414	1.8
105.04503	1.6
105.07037	29.8
107.04324	1.2
107.04971	14.4
107.08604	19.7
109.02855	1.5
109.06512	4.8
109.10166	8.7
111.04461	1.1
111.08046	2.7
115.05449	4.2
116.06221	0.9
117.07029	18.7
119.04969	4.0
119.08591	14.7
121.06515	16.3
121.09325	1.3
121.10147	14.3
123.04382	1.3
123.08098	6.5
125.09644	17.5
128.06247	4.7
129.05472	1.6
129.07010	24.2
130.07751	1.2
131.04932	14.6
131.08578	26.2
133.06488	9.0
133.10149	9.2
135.04417	2.5
135.08066	9.0
135.11667	3.6
137.02365	5.6
137.09618	1.6
139.11172	0.9
141.06993	10.3
142.07770	2.1
143.08559	13.4
143.10530	0.9
144.05740	0.9
145.06483	20.4
145.10132	12.1
147.04436	1.4
147.08049	8.5
147.11682	3.7
149.09642	21.9
151.07492	1.8
151.11165	1.9
153.07025	1.9
153.09109	2.2
154.07755	2.9
155.08577	9.5
156.09380	1.2
157.06532	3.5
157.10139	6.8
158.07324	0.8
159.08049	7.9
159.11705	8.9
161.05934	0.9
161.09625	5.1
161.13269	3.4
163.11171	4.7
165.06946	1.6
167.08585	3.9
168.09326	0.9
169.06493	1.8
169.10121	13.2
170.10846	0.9
171.08054	4.5
171.10309	1.2
171.11687	17.6
173.09634	6.6
173.11853	1.0
173.13222	0.9
175.11145	3.7
175.14748	1.0
177.12767	2.0
179.08568	2.9
181.10110	3.5
183.08054	2.8
183.11685	5.8
185.09619	5.4
185.11739	1.1
185.13232	5.1
187.11217	8.4
189.09149	3.6
189.11200	9.8
189.12758	14.0
193.10155	1.8
193.12202	1.8
195.11742	4.3
197.09663	5.0
197.13269	3.5
199.11168	3.1
199.14861	1.1
201.09105	0.9
201.12779	2.5
203.10687	2.5
203.14253	1.6
205.10329	1.1
205.12233	7.0
207.11752	1.8
209.13295	1.8
211.11241	5.6
211.14857	1.4
212.11943	0.9
213.12775	3.8
215.10663	3.3
215.14308	1.3
217.12257	0.9
219.11720	0.7
219.13712	1.0
221.13341	1.8
223.13271	5.2
225.12752	3.9
227.12637	5.2
229.12279	5.6
231.13837	2.9
236.17200	0.9
237.12770	1.0
237.18483	1.5
239.14339	2.1
243.13832	6.2
245.13528	1.1
245.15657	1.4
247.13228	1.6
249.14838	1.4
257.15341	3.3
261.14893	2.3
267.16068	4.8
271.06027	1.3
271.09683	1.1
271.89499	0.7
273.14883	2.5
275.16412	2.0
277.19537	0.8
295.20490	4.5
297.16891	1.2
299.20090	1.5
305.19003	2.7
313.21533	5.8
317.17554	1.1
321.16998	1.8
323.20078	24.4
331.22717	1.3
335.18564	1.4
341.21124	98.1
342.21359	1.3
349.20227	0.9
359.22198	10.4
361.64160	0.9
377.23331	1.4
379.22568	1.6
392.62051	0.8
397.23608	3.9
415.24789	45.2
424.37079	0.8
433.25864	100.0
434.26129	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	433.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01872	8.6
55.05513	27.7
57.03444	8.0
57.07060	0.9
59.04989	1.0
65.03931	1.6
67.05507	29.1
69.03424	3.5
69.07072	8.8
69.63793	5.2
71.04993	2.6
75.04449	0.9
79.05496	39.5
81.03422	6.6
81.06589	1.5
81.07058	28.0
83.04980	4.6
83.08624	13.8
85.02893	1.3
85.06551	1.4
91.05485	34.2
93.07045	29.6
95.04974	26.7
95.08609	13.6
97.06536	4.3
97.10178	17.4
99.08058	1.1
103.05500	1.7
105.03395	1.3
105.07037	24.9
107.04960	13.7
107.08603	17.9
109.02851	1.6
109.06527	3.6
109.10161	8.1
111.04420	1.0
111.08082	2.8
115.05456	3.8
116.06223	1.2
117.07024	16.2
119.04971	2.4
119.08587	11.2
121.06505	17.0
121.10144	14.2
123.04475	1.0
123.08083	5.4
125.09628	15.0
128.06212	5.0
129.05443	2.3
129.07014	20.3
130.07813	1.3
131.04938	11.3
131.08568	24.8
133.06525	7.2
133.10144	6.0
135.08070	8.9
135.11662	1.5
141.07011	8.5
142.07762	1.7
143.08566	13.4
145.05406	1.5
145.06497	20.4
145.10124	11.8
146.07236	1.1
147.08052	8.7
147.11688	3.1
149.09644	19.4
150.22282	0.9
153.06961	1.8
153.09093	2.9
154.07811	2.0
155.08545	9.2
156.09366	1.2
157.06514	3.8
157.10118	5.4
159.08057	7.1
159.11690	6.8
161.09607	4.2
161.13278	3.1
163.11203	4.7
167.08556	3.9
168.09384	1.2
169.06567	1.1
169.10124	11.6
171.08078	3.6
171.10155	2.2
171.11671	16.9
173.09636	5.3
173.13266	1.8
175.11226	2.7
177.12755	2.1
179.08591	1.2
181.10097	3.5
183.08012	1.9
183.11710	4.9
185.09595	4.0
185.13266	3.7
187.11160	8.1
187.14809	0.8
189.09216	1.7
189.11223	7.0
189.12779	10.8
191.10591	1.3
193.10095	1.6
195.11734	4.5
197.09630	4.5
197.13277	2.5
199.11240	3.3
199.14821	1.0
201.12779	2.7
203.10655	1.6
205.10448	1.0
205.12184	4.8
207.11700	1.8
209.13356	1.0
211.11157	6.1
211.14825	1.1
213.12794	3.0
215.10722	2.2
215.14291	1.4
217.12262	1.1
221.13298	1.9
223.11293	1.6
223.13129	5.7
225.12781	2.8
227.12776	5.8
229.12306	3.4
231.13837	2.5
239.14355	1.8
243.13879	3.8
245.13495	1.2
247.13269	1.3
249.14854	2.0
257.15381	3.4
267.15903	2.3
273.14984	2.7
275.16357	1.9
277.19336	1.1
295.20483	2.8
297.06943	1.2
305.18939	3.0
313.18323	1.4
313.21628	6.1
317.17624	1.1
321.16873	2.1
323.20074	21.7
335.18796	1.9
341.21118	95.3
342.21841	1.0
359.22153	7.6
373.64487	0.9
377.23196	1.6
379.22699	1.0
397.23773	3.0
415.24829	47.6
416.24979	1.2
423.49762	0.8
433.25888	100.0
434.26251	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87728	1.1
53.03934	4.9
55.01875	9.2
55.05515	31.1
57.03432	7.9
57.07081	1.3
65.03937	3.2
67.05508	32.9
68.99798	1.4
69.03438	7.1
69.06774	1.1
69.07069	11.7
71.04981	3.2
71.54050	1.8
73.34075	1.2
76.95566	1.0
79.05498	41.8
81.03413	10.6
81.07059	32.0
83.04993	6.6
83.08614	14.0
85.02904	6.5
85.06522	2.2
91.05486	36.8
93.06480	2.3
93.07046	31.8
95.04971	28.6
95.08607	18.1
97.06537	5.9
97.10171	21.9
99.04458	1.5
99.08074	2.4
103.05469	5.0
105.03395	1.6
105.04511	1.5
105.07043	29.6
107.04951	17.3
107.08591	20.3
107.20373	1.1
109.06503	5.6
109.10162	9.8
111.04435	2.1
111.08070	3.8
115.05442	4.2
116.06241	1.2
117.07025	19.2
119.04957	5.4
119.08584	13.7
121.06519	17.4
121.10145	18.3
121.88289	1.0
123.00867	1.2
123.04417	2.8
123.08078	5.3
123.11684	1.8
125.09638	18.2
127.03903	1.3
128.06223	4.2
129.05472	2.6
129.07014	22.8
130.07819	1.2
131.04921	11.9
131.08563	25.9
133.06483	7.8
133.10153	10.2
135.04430	1.5
135.08049	8.6
135.11690	3.1
137.02350	10.6
137.05902	1.1
137.09628	2.4
139.03902	27.8
141.06985	9.4
142.07773	1.8
143.08554	15.3
145.06482	18.9
145.10129	13.1
146.07265	1.1
147.04416	1.8
147.08051	8.3
147.11685	4.8
149.05948	2.0
149.09627	22.0
151.03925	3.5
151.07547	1.6
153.07005	2.5
153.09113	2.6
154.07784	3.0
155.08527	10.4
157.06512	2.5
157.10130	7.5
159.04356	1.4
159.08040	9.0
159.11694	8.1
161.05995	1.3
161.09651	4.5
161.13249	3.0
163.03833	6.0
163.07481	1.4
163.11226	5.1
165.07008	2.5
166.07843	1.6
167.08545	3.4
167.10664	1.4
169.06511	1.6
169.10129	10.9
171.08099	7.2
171.10254	1.9
171.11682	15.6
173.09598	7.2
175.11171	2.8
177.12770	3.4
178.07861	1.3
179.08604	1.5
181.10126	4.5
183.08043	2.4
183.11697	4.4
185.09666	5.3
185.13315	5.2
187.11229	10.2
189.09119	3.6
189.11217	9.4
189.12781	12.1
191.10626	1.1
193.10168	2.6
193.12204	2.1
195.11697	3.7
197.06041	1.8
197.09615	3.7
197.11604	1.3
197.13316	4.5
199.11227	5.0
199.14938	1.7
201.12830	2.0
203.10818	1.4
205.12202	6.5
207.11696	2.4
207.13744	2.7
209.13330	1.7
211.07486	2.4
211.11215	5.1
213.12816	3.1
215.10716	3.0
215.14330	1.5
221.06015	3.3
221.13356	1.6
223.11337	1.3
223.13316	4.9
225.12854	3.4
227.10776	1.3
227.12764	4.4
229.12198	5.6
231.13766	2.5
235.16872	1.5
239.07030	4.0
239.14301	1.7
241.08652	1.2
243.13800	3.2
247.13400	1.3
249.05441	2.6
249.14923	2.4
250.06204	1.7
257.15308	2.1
261.14807	2.2
267.06506	15.1
267.16071	3.7
271.06024	30.5
271.08655	1.1
273.15012	2.4
275.16379	1.2
295.06287	1.5
295.20645	3.0
299.09128	1.3
305.19092	2.1
309.11395	1.4
313.21484	5.4
321.17029	1.5
323.20056	22.0
331.22867	1.8
335.18802	1.4
337.10776	1.6
341.21133	91.6
355.11508	1.3
359.22147	15.7
361.21536	1.4
365.10187	1.4
371.21655	1.3
377.23434	2.2
383.11188	17.2
397.23849	2.9
412.67361	1.4
415.14041	9.3
415.24780	46.4
415.30194	2.6
433.25922	100.0
458.07547	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2352
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.88953	2.1
55.01867	2.2
55.05519	10.4
57.03428	8.4
57.07069	3.7
57.89895	2.0
62.00513	2.0
67.05509	54.0
69.07068	9.7
70.97416	4.3
70.97760	2.8
75.04487	4.0
79.05502	29.9
81.07060	51.4
83.04990	2.0
83.08613	7.1
91.05489	20.1
93.07050	49.1
95.04967	3.9
95.08611	45.3
97.06534	2.8
97.10172	2.9
98.98469	100.0
99.08103	2.5
105.07039	15.1
107.08590	32.8
109.06496	2.7
109.10170	20.0
117.07017	9.3
119.08573	16.0
121.10158	26.4
123.11723	11.0
124.44400	2.0
126.00093	2.4
126.67192	1.8
129.06987	3.1
131.08601	16.1
131.11411	1.9
133.10133	8.8
135.11707	18.2
137.09586	2.9
137.13258	3.8
140.86592	2.1
145.10129	14.0
147.11763	10.1
149.13283	18.0
151.14868	2.0
155.01053	31.0
159.11739	10.3
160.12239	2.2
161.13260	6.8
163.14813	12.9
165.62659	2.0
173.02126	17.9
173.13222	9.9
175.14914	3.3
187.14803	8.0
193.10089	2.2
215.18007	2.5
233.22673	4.0
243.21098	25.5
261.22156	79.4
317.24692	9.1
335.25839	58.2
335.29221	1.4
415.22351	10.2
433.30817	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01863	2.1
55.05515	3.7
57.03434	1.7
58.66503	0.6
61.02916	0.7
65.03929	1.7
66.67928	0.8
67.05506	4.8
68.99795	4.7
69.03421	2.5
69.07067	3.0
69.39635	5.6
79.05501	5.2
81.03432	1.1
81.07071	6.6
83.04979	2.6
83.08608	2.0
85.02893	1.3
91.05486	7.6
93.03398	1.6
93.07047	4.8
95.04962	3.3
95.08613	3.5
97.02885	1.5
97.06537	2.8
98.20850	1.2
103.05482	1.1
105.03400	2.1
105.07024	5.7
107.04948	2.6
107.08585	2.4
109.06524	2.9
109.10144	1.8
110.94927	0.6
111.00809	2.5
111.04471	5.1
115.05459	2.9
117.07016	3.3
119.04932	2.6
119.08563	2.7
121.06512	2.7
121.10140	1.5
123.04423	5.8
123.11677	0.9
125.06017	1.0
125.09695	1.5
127.03933	1.8
128.06232	2.3
129.07025	6.3
131.04916	2.2
131.08562	5.7
133.02870	2.1
133.06476	1.8
133.10123	2.1
135.04401	1.1
137.06024	2.1
139.03908	100.0
141.06999	2.0
142.07758	2.1
143.04938	1.6
143.08545	2.8
144.05728	1.1
145.06487	3.3
145.10124	2.1
147.04427	6.8
147.08051	2.0
149.09598	1.7
151.03908	4.7
152.06168	0.9
153.01848	2.1
153.05450	1.0
153.07030	1.3
155.04916	0.9
155.08582	3.9
157.06511	2.1
157.10170	3.2
159.04440	1.5
159.08064	2.9
159.11752	1.4
161.02287	0.8
161.05992	2.2
161.09662	2.1
161.13283	1.0
162.03078	0.9
163.03897	16.5
163.06119	0.8
163.11183	0.9
165.05507	5.9
165.07010	2.6
167.08534	1.1
169.05128	1.1
169.06514	1.8
169.10129	1.6
170.07271	1.0
171.08096	1.7
171.11679	1.3
173.05997	2.0
173.09583	1.6
173.13326	0.8
175.03922	4.6
175.07549	1.8
176.04713	1.7
177.05508	0.9
179.03439	1.5
179.07053	1.8
179.08534	1.2
181.04906	2.0
183.04457	0.9
183.08078	2.7
185.06064	1.5
185.09622	5.0
187.03943	1.0
187.07523	2.5
189.05472	3.1
191.03473	1.9
191.07076	2.3
193.04985	1.2
197.06068	1.8
197.09552	1.3
199.07529	1.0
199.11162	1.5
201.05489	3.6
201.09119	2.9
203.03413	1.9
203.07074	5.1
204.07904	0.8
205.04941	2.0
205.08650	1.3
211.07565	3.5
211.11081	0.8
212.08307	2.7
213.05452	2.5
213.09097	3.8
215.03369	1.3
215.06996	3.8
215.10522	0.8
217.04982	1.7
217.08568	1.5
219.10097	1.8
225.09142	2.2
227.07059	2.3
227.10658	1.1
229.04961	4.2
229.08603	2.0
230.09714	0.7
231.06516	4.4
233.08127	1.4
235.09613	1.0
239.07053	5.2
243.06505	1.4
243.10272	1.7
245.08035	1.8
245.11836	1.4
247.09665	5.0
249.11337	0.8
251.07066	0.9
252.07700	0.9
253.04982	1.7
253.08585	2.4
254.05850	0.9
255.06511	0.9
257.04456	1.5
257.08029	1.6
261.07666	1.1
266.12476	0.8
267.06567	3.4
267.10147	1.2
271.06042	3.6
271.09680	7.1
271.19128	1.5
277.10754	4.5
281.11749	3.6
282.05341	1.0
283.05872	0.9
283.13297	0.9
286.04727	1.0
287.05542	4.7
289.06448	1.6
291.08771	2.3
293.11801	1.1
295.06085	2.1
295.09424	0.9
297.07797	1.0
297.11020	0.8
301.07098	4.5
309.11148	7.1
311.12762	2.5
313.07321	1.3
317.03851	0.8
319.09753	1.2
321.11383	1.3
327.08630	2.9
327.12204	1.2
337.10727	18.9
339.12329	1.5
341.13867	2.5
341.21078	4.6
347.09579	0.8
351.12592	1.1
355.11798	3.0
359.22107	0.7
365.10202	6.8
369.13330	7.4
383.11319	4.3
387.14484	1.3
397.12869	6.2
405.21902	0.7
415.13898	5.7
415.25107	1.8
433.25949	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	433.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01863	2.0
55.05505	2.5
57.03424	1.1
65.03935	2.2
67.05507	3.5
68.99793	4.7
69.03439	1.8
69.07053	2.0
71.04996	1.1
71.53879	1.2
79.05499	3.3
79.45541	0.7
81.03403	1.6
81.07064	4.4
83.04987	2.4
85.02902	2.4
85.06547	1.3
86.09723	1.9
91.05486	8.1
93.03415	1.1
93.07044	4.6
95.04980	3.6
95.08624	1.6
97.02873	1.9
97.06529	2.8
103.05487	0.9
105.03397	1.7
105.07034	5.6
107.04950	2.5
107.08568	1.8
109.02871	1.6
109.06495	2.5
109.10192	1.1
111.00826	4.1
111.04443	4.9
115.05463	3.1
116.06226	1.4
117.07035	2.7
119.04967	5.0
119.08566	2.5
121.02862	1.8
121.06509	1.3
121.10126	1.5
123.04449	9.0
125.05959	1.1
127.03927	2.7
128.06241	4.1
129.07018	7.4
131.04939	1.9
131.08601	5.6
131.60948	0.9
133.02864	1.7
133.06485	1.6
133.10143	1.9
135.04407	2.1
135.08052	1.3
137.06000	2.3
139.03912	100.0
140.04129	1.0
141.07013	2.2
142.07793	1.5
143.04919	1.1
143.08556	3.2
145.06499	3.5
145.10127	1.3
147.04424	6.0
147.08023	1.8
149.06042	1.3
149.09622	1.6
151.03915	9.2
153.01878	6.3
153.05444	2.0
153.06941	1.9
155.04968	0.9
155.08594	3.1
157.06488	3.2
157.07657	1.1
157.10158	2.3
159.04370	2.9
159.08073	3.6
160.05188	1.4
161.02400	2.3
161.05995	3.6
161.09615	1.9
163.03911	19.5
163.07472	0.9
165.01813	2.2
165.05495	5.9
165.06898	1.8
166.07906	0.9
167.08646	1.3
169.05002	2.0
169.06476	2.1
171.04433	1.2
171.08072	1.7
171.11674	1.4
173.02406	1.0
173.05965	2.4
173.09624	1.4
175.03940	5.6
175.07477	4.3
177.05475	3.6
177.09210	0.9
179.03413	1.8
179.07030	1.5
179.08557	1.2
181.04991	1.4
181.06454	1.6
183.04350	1.0
183.08081	3.7
184.05334	0.9
185.05846	1.5
185.09634	4.4
187.03839	1.9
187.07526	5.7
189.05536	4.8
189.09084	4.0
191.03404	1.7
191.07008	1.2
191.10728	1.1
193.05048	1.4
197.06062	1.9
197.09630	1.1
199.07613	1.4
199.11226	1.7
201.05515	4.1
201.09091	3.7
203.03397	1.8
203.07008	6.2
204.07834	2.6
205.04988	9.3
205.08583	2.6
207.10110	1.2
211.07562	3.9
212.08246	1.9
213.05463	2.4
213.09085	3.8
215.03387	1.4
215.06992	5.7
216.03992	0.9
217.05014	3.0
217.08627	1.3
218.16219	1.4
219.10051	5.0
221.06093	1.1
225.05440	1.2
225.09132	3.3
227.07037	2.4
227.10651	1.2
229.04929	4.2
229.08574	3.2
231.06560	5.1
233.08049	1.5
235.16995	1.1
236.17419	1.4
239.06999	6.5
241.04930	2.5
241.08557	2.5
242.05676	1.2
243.06590	2.0
243.10127	1.8
245.08086	3.0
245.11847	1.3
247.09668	22.9
249.11325	1.3
253.08644	2.6
253.17992	1.3
253.21548	0.9
257.04431	1.3
257.08044	2.7
260.10385	2.8
261.07358	0.9
267.06467	4.5
267.10297	1.4
269.04333	1.5
271.06042	70.0
271.09451	5.7
277.10724	2.4
279.06583	1.1
281.08118	1.2
281.11810	3.0
282.05466	1.4
285.07764	1.2
287.05518	6.5
289.06931	1.8
291.08578	1.1
295.06058	3.2
295.09369	1.6
297.11041	1.0
309.11194	7.9
311.12564	1.3
313.07211	1.3
319.09567	3.7
327.08685	4.2
327.12360	2.7
337.10736	22.2
339.12106	2.1
341.13754	3.0
347.09305	1.6
355.12024	4.5
355.15656	0.9
365.10220	10.5
369.13263	8.8
383.11362	9.1
387.14240	1.2
397.12854	6.1
415.14120	5.4
433.10855	4.2
433.27838	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
54.51098	0.4
55.01870	2.2
55.05513	1.4
57.03432	1.6
61.02934	1.2
65.03940	1.0
67.05498	2.0
68.99796	1.4
69.03436	5.7
69.07067	2.3
70.06207	0.8
70.06596	17.0
71.05003	3.2
71.52749	0.5
73.02918	0.8
75.04462	0.6
79.05514	2.4
81.03418	4.8
81.07071	3.4
83.04986	2.0
83.08611	0.8
85.02911	13.9
85.06537	4.5
86.09715	1.9
87.00832	3.0
91.03963	0.5
91.05484	3.2
93.07059	3.7
95.01326	1.3
95.04974	2.3
95.08607	1.9
97.02904	4.8
97.06520	1.6
98.97639	0.8
99.04476	3.0
103.05470	0.5
105.01878	2.2
105.07059	4.4
107.04952	2.1
107.08604	4.5
109.02895	4.5
109.06501	2.0
109.10143	1.0
110.03665	8.3
111.04430	2.0
111.08068	1.3
113.06028	2.2
114.05525	0.9
115.05443	0.6
115.07581	1.2
116.07101	5.5
117.01792	0.5
117.07024	1.7
119.04939	0.6
119.08586	3.0
121.02879	2.2
121.06512	1.4
121.10156	1.6
123.04433	1.3
123.08101	1.5
123.11726	0.6
125.06004	28.7
125.09619	1.1
127.03931	10.2
128.10658	0.9
129.01854	1.1
129.07001	1.2
131.08591	1.9
133.06523	0.6
133.10135	2.3
135.04361	0.7
137.05992	1.0
137.09586	0.9
139.03914	5.9
139.07460	0.5
141.09143	0.6
143.08556	1.7
145.04961	2.7
145.10135	2.0
147.04431	0.6
147.08131	0.6
147.11697	2.9
149.09630	2.1
149.13243	0.6
151.07564	4.2
151.11208	0.6
153.05478	51.8
154.06265	17.4
155.03394	1.2
155.07054	1.3
156.04131	0.6
156.08362	0.6
157.10138	1.4
159.02946	1.8
159.08032	0.6
159.11691	3.6
161.09587	1.1
161.13261	0.5
165.12741	1.3
166.06378	0.6
167.07077	2.0
169.06474	0.7
170.05730	5.7
173.06105	0.6
173.13271	0.9
175.14841	1.1
177.12729	1.9
178.06255	2.2
181.05029	1.0
181.08643	0.6
185.08105	100.0
187.03821	0.6
194.05746	1.4
199.14894	2.6
203.03394	2.2
209.08044	3.9
211.13312	0.7
215.07008	0.9
217.15913	5.0
218.16318	0.9
221.04517	0.7
221.08034	1.2
227.09164	3.0
231.04742	1.1
234.99155	0.6
235.16975	5.6
236.06775	1.4
241.04929	0.7
242.10257	0.8
247.09764	0.8
251.09151	1.5
253.14366	0.7
253.17938	2.7
260.11288	3.4
269.04626	0.9
271.05991	2.1
271.09375	0.5
271.19104	1.3
275.09055	1.6
278.09680	0.4
278.12354	9.9
293.10507	2.5
307.06021	1.5
308.06689	1.6
309.07462	0.7
321.07516	4.7
322.08435	1.1
333.07574	1.2
335.09055	0.7
337.07312	1.0
346.08252	0.8
349.06885	2.2
349.10617	1.0
351.08597	1.6
359.09009	1.6
375.08823	0.6
377.10165	2.0
387.08588	2.0
405.09869	3.2
415.08032	1.2
432.73645	0.5
433.09158	23.2
450.19897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Kaempferol 4'-rhamnoside
Peak:m/z	Relative Intensity
55.05508	1.3
57.03439	6.7
57.07098	0.5
67.05496	1.1
68.99797	0.6
69.03429	1.1
69.07051	1.2
69.30078	1.1
69.30486	3.3
70.06577	0.7
71.05005	0.7
73.02923	3.7
74.60956	0.4
75.04482	23.4
79.05479	1.0
81.03397	0.6
81.07056	1.9
83.04959	1.2
83.08604	0.7
85.02911	3.4
91.05481	1.3
93.07035	1.1
95.04962	0.7
95.08597	1.5
96.77847	0.4
97.02888	1.1
97.06535	0.8
105.07036	1.8
107.08611	1.3
109.02841	0.5
109.10148	0.7
119.08598	1.0
121.02856	3.1
121.10117	0.8
123.04408	0.9
123.64492	0.5
127.03882	0.6
129.05492	0.9
131.08591	0.8
133.10130	1.0
137.02376	0.7
139.03914	1.5
145.10127	0.6
147.04480	0.7
147.11685	0.9
153.01830	3.9
165.01796	1.6
183.02875	0.9
213.05504	1.1
235.16939	1.0
236.17227	0.7
241.05243	0.7
257.08072	0.8
258.05246	2.0
259.05978	1.2
259.08551	0.6
271.06033	6.1
271.08856	1.1
271.19000	1.4
283.06009	4.2
286.04672	4.2
287.05505	100.0
288.05850	0.8
297.07434	1.0
301.07071	11.2
313.07037	1.9
351.08432	0.6
397.09030	1.4
401.06171	0.6
415.10217	1.2
432.76541	1.4
433.11218	1.3
433.26019	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1133
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
55.01795	0.9
55.02004	0.9
57.03342	0.8
65.03839	1.3
68.99693	1.3
69.03322	1.6
69.03627	0.8
69.17538	5.0
69.17966	2.3
70.12860	0.6
70.23022	0.7
71.04870	1.7
71.05228	1.0
73.02798	0.7
79.01740	0.7
79.05370	1.3
81.03277	1.2
81.06931	1.6
85.02737	3.8
85.03299	1.3
85.06409	1.7
89.05886	1.8
89.06379	0.8
91.05314	2.7
91.05836	1.0
93.06926	1.2
95.04810	1.8
95.08453	0.8
97.02742	1.8
97.03307	0.6
97.06432	1.0
98.20794	1.3
99.04333	0.8
105.06909	1.3
107.04807	1.6
107.08467	1.4
107.09109	0.9
109.02707	2.0
109.06448	0.8
113.03741	0.6
113.05803	0.9
115.05334	0.9
119.04779	3.7
119.08458	1.3
121.02697	22.0
121.03677	2.3
121.10013	1.7
123.04262	3.3
127.03811	1.2
131.08417	1.4
133.08398	2.2
133.10027	1.2
135.04308	0.9
135.07933	0.9
137.02184	0.9
139.03720	2.3
141.01682	1.0
143.08360	0.7
145.02686	2.5
145.04803	1.3
145.09993	0.9
147.04210	1.5
147.11479	0.8
149.02299	1.5
151.03865	0.9
151.10963	1.0
153.01660	2.7
153.05312	3.1
159.11566	1.7
163.03896	5.9
164.10571	1.6
165.01839	11.8
167.03241	1.9
175.03917	1.1
177.01724	2.2
177.05388	0.7
177.12697	0.8
179.03229	1.7
181.04883	0.9
183.02933	3.3
185.08131	3.6
187.03751	1.7
189.05284	1.4
189.82498	0.7
191.03265	2.8
195.02742	1.8
199.14676	1.4
203.03250	3.2
205.04984	3.3
211.07358	0.9
213.05360	1.7
215.03368	1.0
217.05074	3.3
217.15872	1.4
219.02826	3.7
227.06955	1.8
229.04913	0.9
231.02783	1.1
233.04474	0.9
235.16866	2.1
239.07123	1.2
241.04840	1.0
243.02925	1.7
249.03999	1.0
253.17970	1.8
255.06427	2.1
256.07254	2.1
259.06088	1.7
261.03909	2.0
267.06497	5.3
270.05194	2.2
271.06021	14.1
271.09174	1.3
273.07690	1.0
281.08005	4.5
283.06015	100.0
284.06784	21.0
285.07336	1.2
290.57654	0.8
295.06085	15.2
295.09390	1.4
297.07767	8.0
305.08130	1.7
307.05951	3.9
308.06870	2.6
309.04126	1.2
309.07562	17.0
311.05414	2.1
313.07062	80.3
314.07385	1.9
321.07605	6.1
323.05655	1.4
323.09122	19.1
325.07141	2.4
333.07553	4.0
335.08972	0.9
336.06415	1.1
337.07050	32.3
343.08295	1.2
349.07022	12.6
349.10767	1.4
351.08694	3.5
355.08173	1.7
359.09164	3.0
361.07080	6.8
363.08832	2.4
367.08127	23.5
377.10156	1.2
379.08127	16.2
387.08636	4.4
397.09216	23.8
405.10016	1.2
415.10345	28.1
433.11380	44.1
434.11688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	Sophoricoside
Peak:m/z	Relative Intensity
55.01888	0.2
56.57729	0.2
57.40931	0.2
63.02347	0.2
65.03922	0.2
67.05505	0.5
68.99779	1.0
69.03431	1.8
71.04987	0.2
71.43333	0.3
79.05515	0.4
81.03432	0.4
81.07047	0.4
83.05009	0.2
85.02917	1.2
85.06541	0.3
91.05470	0.4
93.07052	0.3
95.01325	0.9
95.08605	0.4
97.02891	0.3
97.06522	0.2
99.04473	0.3
100.56891	0.2
105.07066	0.2
107.04991	0.2
107.08582	0.4
109.02876	0.4
109.06508	0.3
111.04440	0.4
116.01736	0.3
117.07006	0.3
119.08609	0.3
121.02921	0.2
125.06009	0.4
127.03929	0.3
127.07462	0.2
131.08606	0.2
135.04451	1.5
137.02348	4.2
137.05995	0.8
137.09624	0.4
138.09940	0.2
139.03923	0.4
139.07555	0.8
139.35431	0.2
153.05421	0.5
155.03400	0.8
157.06371	0.3
161.02359	1.7
163.61485	0.2
167.07043	0.8
179.04872	0.3
183.65128	0.2
185.05965	0.3
185.08128	0.8
197.05948	0.2
207.13724	0.2
223.97302	0.2
225.05447	0.2
227.09189	0.7
229.07202	0.2
243.06467	0.3
253.05119	0.3
253.18050	0.2
255.08641	0.5
262.47766	0.2
271.06027	100.0
272.06311	1.1
283.06070	0.3
313.07114	0.2
330.10187	0.2
337.07089	0.2
349.06866	0.3
370.68298	0.2
397.08942	0.2
433.13046	2.1
433.23022	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	Vitexin
Peak:m/z	Relative Intensity
50.97747	0.2
55.01866	0.6
55.05514	0.5
57.03437	0.4
58.97862	0.2
61.02942	0.3
62.61116	0.2
65.03936	0.2
67.05494	0.7
68.99801	0.7
69.03424	1.0
69.07060	0.7
69.22861	0.2
70.06592	14.5
71.04669	0.2
71.04996	1.5
71.53973	0.2
74.50333	0.2
79.05489	1.6
81.03414	0.7
81.07069	1.4
83.04979	0.6
85.02911	2.5
85.06162	0.2
85.06555	2.1
86.09708	2.5
91.05471	1.5
93.03395	0.2
93.07056	1.3
95.01302	0.3
95.04948	0.6
95.08581	1.0
97.02898	0.6
97.06522	0.6
99.04444	0.5
99.08061	0.3
105.07034	1.8
107.04955	0.8
107.08584	2.0
109.02884	0.6
109.06516	0.7
109.10165	0.4
111.04433	0.4
111.08082	0.6
113.05981	1.1
114.05471	0.4
114.61214	0.2
115.05419	0.2
115.07556	0.7
116.07095	25.2
117.07008	0.8
119.08600	1.3
121.02862	0.9
121.06477	0.3
121.10149	0.4
123.08046	0.7
125.09638	0.6
127.03932	0.5
128.10721	1.9
131.08565	1.3
133.10101	0.7
135.04437	1.8
135.11734	0.6
137.02341	4.1
137.09613	0.6
142.07796	0.3
143.08588	0.5
145.10130	0.9
147.11687	1.5
149.09618	0.8
151.11203	0.4
153.12772	0.2
155.03362	0.6
156.10179	0.4
157.10121	0.6
159.11674	1.8
161.02362	1.7
163.11163	0.3
165.12813	0.4
167.07011	0.4
169.10101	0.2
171.11552	0.3
175.11192	0.3
175.14859	0.4
177.12758	1.2
181.05040	1.0
185.06042	0.3
190.16805	0.2
191.14336	0.3
193.15916	0.2
195.13763	0.3
199.14766	1.2
203.03375	0.7
217.15865	1.5
217.25282	0.2
221.07993	0.3
225.05498	0.4
235.16911	2.4
241.04915	0.3
243.06552	0.3
253.04997	0.3
253.17938	0.6
257.12881	0.4
260.11288	1.5
269.04587	0.3
271.06012	100.0
271.19171	0.7
272.06339	1.5
278.12323	4.2
287.05560	0.6
293.08072	0.3
307.05988	0.6
308.06830	0.6
309.07724	0.2
321.07541	1.3
322.08197	0.5
330.09970	0.3
333.07825	0.3
335.08963	0.4
337.07257	0.2
346.08151	0.3
349.07028	1.0
349.10611	0.4
351.08423	0.4
359.09210	0.4
377.10080	0.4
381.07849	0.3
387.08704	0.6
403.13867	0.9
405.09457	1.4
415.08136	0.4
433.09167	6.9
434.09308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1135
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.03931	0.2
57.03418	0.2
61.02928	0.3
67.01868	0.4
68.99786	0.3
69.03444	0.7
70.16791	0.6
81.03411	0.6
85.02438	0.2
85.02914	2.7
91.05453	0.2
97.02905	0.8
98.21448	0.2
109.02889	0.3
112.90307	0.2
119.04954	2.0
121.02865	0.5
127.03880	0.3
129.01878	0.2
145.02859	0.6
145.04936	0.3
153.01836	4.5
163.03964	0.3
171.02864	0.3
225.05334	0.2
229.04968	0.3
241.20010	0.1
243.06604	0.3
271.06033	100.0
272.06287	1.3
283.06149	0.5
313.06976	0.4
336.05222	0.2
433.10452	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1135
Annotation	Kaempferide 3-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
62.90228	0.2
67.05522	0.3
68.99826	0.3
69.03462	0.2
69.07058	0.2
69.63121	0.8
69.63527	0.3
79.05531	0.2
80.87521	0.2
81.07091	0.5
85.02924	0.4
91.05510	0.5
93.07052	0.3
95.08648	0.2
97.06463	0.2
105.07038	0.4
109.10166	0.2
111.04453	0.2
119.08581	0.3
123.04430	0.4
123.08314	0.2
125.09696	0.2
139.03908	2.6
145.10124	0.2
147.04356	0.2
151.03941	0.4
153.01845	0.4
163.03920	0.4
229.04948	0.4
258.05270	12.8
267.06638	0.6
271.06012	0.9
286.04739	32.8
287.05435	1.6
301.07080	100.0
302.07376	1.4
312.70895	0.2
349.11786	0.2
358.35931	0.2
365.10294	0.2
383.11316	0.9
415.13699	0.6
433.11142	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
50.54138	0.1
67.01861	0.3
68.99804	0.2
69.54940	0.3
69.55357	0.2
85.02889	0.2
87.76035	0.1
91.05474	0.3
97.76747	0.1
107.87827	0.1
119.04948	1.7
120.54776	0.1
121.02901	0.5
129.01906	0.1
135.04362	0.1
145.02815	0.5
153.01836	4.5
163.03912	0.3
171.02882	0.3
175.11281	0.1
187.03911	0.1
225.05525	0.3
229.05054	0.3
243.06502	0.3
271.06015	100.0
272.06329	1.5
373.15244	0.1
433.11163	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1134
Annotation	Vitexin
Peak:m/z	Relative Intensity
54.45018	0.5
57.03343	0.7
57.03585	0.6
57.56497	0.5
60.38908	0.4
68.99714	0.5
69.80722	2.3
81.03291	1.1
84.57692	0.5
85.02748	1.4
85.03234	0.7
91.05358	0.9
103.03782	0.5
109.02744	1.1
119.04767	3.4
121.02694	8.8
121.03616	0.9
137.02225	0.8
141.01677	0.5
145.02675	2.8
149.02171	2.2
153.01718	0.7
163.03954	3.6
165.01842	15.1
167.03218	1.7
175.03740	0.6
177.01683	2.0
181.04802	0.9
183.02870	2.5
187.03786	1.6
189.01794	0.8
191.03299	1.7
195.02802	1.6
203.03307	1.5
203.67763	0.5
205.04922	0.9
213.05406	0.7
215.03333	1.0
229.04901	1.6
231.02986	0.5
235.16904	0.7
239.06915	1.6
243.02805	1.3
255.06546	1.3
256.07236	1.1
261.03995	0.6
267.06534	7.6
269.04431	0.7
270.05167	3.6
271.06036	14.4
279.06580	2.3
281.05176	0.9
281.08121	7.2
283.06033	100.0
284.06766	12.2
285.07507	1.0
293.08142	1.1
295.02881	0.9
295.06107	11.1
295.09677	2.2
297.04166	1.1
297.07596	3.7
305.08121	2.3
307.06100	2.5
308.06860	3.1
309.04007	1.5
309.07565	20.0
311.05472	0.9
313.07083	71.7
314.07794	0.7
321.07684	3.6
323.05771	0.5
323.09146	15.9
325.06949	1.0
333.07471	3.3
335.09262	0.9
337.07086	35.6
343.08258	0.7
349.07104	12.7
351.08676	2.1
361.07068	9.7
367.08151	26.3
379.08185	18.4
387.08841	1.3
397.09225	23.5
405.10049	1.2
415.10266	17.6
415.15601	0.9
433.11423	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	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05488	1.6
57.07066	2.9
58.71735	1.1
60.79453	1.0
67.05504	2.0
69.07063	1.1
70.35946	2.5
70.36292	1.4
71.08629	2.7
81.07055	4.5
83.08632	1.7
85.10178	1.0
95.08610	2.7
97.10159	2.4
105.07027	1.1
108.86329	1.0
109.10161	3.0
119.08584	1.6
121.61568	0.9
122.07183	1.2
123.20257	0.9
125.05957	2.1
135.08086	1.7
137.09613	5.2
145.10210	1.4
149.09641	5.3
151.07581	1.6
163.11182	1.4
165.09123	100.0
177.09068	2.7
179.10703	2.3
186.79099	1.1
187.11127	1.6
190.09898	2.4
191.10664	3.0
205.12250	26.4
411.36127	1.5
429.31738	6.8
429.37326	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.098
Annotation	Chrysin 7-glucuronide
Peak:m/z	Relative Intensity
51.97824	0.1
56.47234	0.1
57.83640	0.1
67.01871	0.6
67.05480	0.1
68.99814	0.3
69.07066	0.1
69.83213	0.5
70.01247	0.1
73.02914	0.3
81.07107	0.2
82.40067	0.1
85.02888	0.3
91.05482	0.1
95.08611	0.2
97.02937	0.1
99.45251	0.1
103.05473	0.6
103.97258	0.1
105.03384	0.3
108.81216	0.1
109.02860	0.1
109.10182	0.1
121.10172	0.1
127.03951	0.1
129.03407	0.4
147.04382	0.5
153.01843	3.3
171.02943	0.2
171.04402	0.2
174.04930	0.1
185.72939	0.1
187.07526	0.2
209.06003	0.5
231.06673	0.1
238.11476	0.1
250.68587	0.1
255.06544	100.0
256.06912	1.3
269.17603	0.2
287.02466	0.1
287.05533	3.0
305.01654	0.1
364.75476	0.1
366.72388	0.1
395.07065	0.1
431.09775	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	432.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55569	1.7
57.03433	5.7
57.07082	100.0
68.07475	1.8
69.03420	1.9
69.07047	1.7
69.33403	5.9
69.33829	8.0
71.05004	1.8
74.09702	2.2
85.02899	5.9
85.06557	30.4
91.05492	2.2
92.30258	1.7
97.02917	4.4
98.21490	2.5
119.08565	2.0
123.04428	9.2
137.06012	2.7
145.05019	1.9
151.03920	26.6
161.05998	2.1
163.07585	3.5
165.05475	5.0
175.07565	2.9
178.06236	4.4
179.03423	13.1
189.09155	8.6
190.79330	1.7
207.06493	2.4
207.10184	32.3
217.08592	5.9
217.15874	1.9
222.41808	1.9
235.09683	62.4
253.10732	41.6
267.01309	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.03937	0.7
54.47333	0.6
55.05495	2.7
55.05727	0.5
57.07081	16.5
64.96797	0.5
67.05216	0.5
67.05509	4.8
69.07075	4.1
71.08295	0.7
71.08637	10.8
71.39315	0.7
71.39661	0.8
79.05480	1.1
80.53047	0.6
81.07062	7.5
83.08622	2.8
85.09805	0.5
85.10187	5.5
85.74740	0.7
91.05475	1.9
93.07043	2.5
95.08621	6.9
97.10158	2.3
98.82216	0.6
105.07029	1.8
107.08614	5.1
109.06491	0.9
109.10160	4.5
111.11726	1.7
117.07015	0.8
119.08595	3.0
121.06512	1.1
121.10149	3.9
123.08073	1.1
123.11685	1.3
124.20955	0.6
125.13376	0.6
131.08521	1.8
133.10136	2.1
135.08061	5.0
135.11668	1.3
137.05997	1.2
137.09616	8.6
137.13277	0.9
139.07542	1.4
145.10130	2.4
147.11639	0.7
148.53986	0.6
149.09627	12.9
149.13283	0.8
151.07545	1.4
154.41637	0.6
159.08028	0.8
159.11708	2.3
163.11195	20.5
165.09122	100.0
166.09471	0.9
173.09654	1.6
173.13271	2.5
175.11206	6.2
176.08311	1.2
177.09117	10.5
177.12711	2.0
179.10614	1.5
186.10381	1.4
187.11206	3.6
189.09081	0.6
189.12726	1.9
190.09908	1.1
191.10699	9.6
191.14235	0.9
201.12721	3.1
203.10754	1.9
203.14369	1.4
205.12259	10.5
215.14294	1.7
218.13037	0.6
219.13792	6.0
229.15942	1.1
233.15269	2.7
247.16975	1.4
256.32272	0.6
261.18536	1.6
275.20013	1.6
289.21646	1.8
303.23203	1.4
317.24615	1.2
345.28177	0.9
359.29260	1.3
373.31155	0.7
401.34036	2.6
411.36047	2.3
429.32690	2.3
429.37314	59.6
430.37442	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Carolenalin 4-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03959	6.6
55.01876	5.8
55.05516	13.4
57.03448	18.9
61.02936	2.0
64.02735	1.1
65.03936	1.6
67.05513	20.9
69.03437	31.0
69.07074	5.6
69.85871	6.3
71.01353	2.3
71.05006	10.0
72.93636	1.2
73.02910	2.6
79.05502	18.1
81.03428	91.8
81.06591	1.8
81.07068	28.5
83.04987	17.4
83.08627	21.1
85.02914	24.4
85.06564	2.6
87.04472	3.8
91.05489	26.0
93.07055	13.8
95.04981	25.7
95.08625	7.4
97.02902	50.5
97.03530	2.8
97.06548	4.5
97.10176	5.9
99.04464	8.8
101.02397	2.5
103.03954	2.4
103.05476	1.2
105.07039	18.4
107.04962	8.3
107.08593	6.1
109.02899	14.8
109.06516	4.4
109.10169	3.2
111.04458	9.2
111.08090	8.4
113.06017	1.2
117.07062	2.8
119.04951	1.4
119.08592	14.7
121.06512	2.6
121.10152	9.2
123.04416	2.3
123.08057	1.7
123.11703	2.5
125.09641	3.6
127.03929	13.4
129.05484	4.0
129.07031	9.5
131.08594	8.8
133.06503	2.9
133.10172	9.1
135.08104	1.6
137.09650	3.8
139.03909	1.5
142.07875	3.0
143.08562	1.7
145.04973	1.6
145.06516	1.8
145.10161	4.2
147.08086	3.4
147.11702	15.5
147.12787	1.4
149.05852	1.5
149.09669	7.5
151.03941	1.3
153.12791	1.5
157.10129	12.1
159.11716	1.3
163.11238	3.1
165.12791	5.6
171.08133	1.7
171.11685	1.5
175.11185	15.3
181.12271	1.6
183.06619	4.0
189.12799	1.3
191.10667	2.8
193.12259	64.1
211.13321	94.0
217.12268	1.2
219.13911	1.4
227.12863	3.5
229.12262	1.3
229.14421	5.2
230.14798	1.4
235.13347	4.5
249.14885	7.6
265.14496	1.2
267.12115	3.6
267.16003	7.7
273.14905	2.0
285.16965	20.1
301.14435	2.0
309.17209	2.2
313.16556	2.8
319.15414	2.9
323.46094	1.2
337.16638	3.1
339.17593	1.5
351.17874	1.4
355.17630	5.9
373.13754	1.6
375.17838	1.4
386.78198	1.2
393.19296	3.9
411.20233	7.4
429.21323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2122
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03934	7.3
55.01859	12.7
55.05511	21.8
57.03437	28.3
58.17822	3.1
61.02930	33.0
67.05186	3.0
67.05509	35.9
69.03437	27.8
69.07047	7.6
69.18832	34.5
71.01364	8.3
71.04997	7.7
73.02925	21.9
79.05494	31.6
81.03418	88.0
81.07066	32.3
83.04962	15.5
83.08621	18.5
85.02905	42.0
85.06534	7.2
87.04482	4.8
91.03947	20.1
91.05484	31.5
93.07048	23.2
95.04375	6.0
95.04966	100.0
95.05569	5.3
95.08588	14.5
97.02889	43.0
97.06559	5.1
97.10181	8.5
99.04440	11.1
99.08124	3.9
101.02341	5.4
103.03932	12.6
103.39010	3.8
105.07018	24.8
107.04957	22.6
107.08594	22.5
107.48460	3.2
109.02876	20.9
109.06506	9.0
109.10156	4.4
111.04442	9.7
111.08055	10.9
115.03941	7.1
117.07014	10.0
119.04947	4.2
119.08564	24.0
121.02850	5.2
121.06520	13.7
121.10124	12.9
123.04421	54.1
123.08080	4.0
125.09645	5.2
127.03922	17.7
129.06999	16.3
131.04913	5.5
131.08530	18.1
133.06480	7.0
133.10120	13.4
133.45999	3.0
135.04381	4.8
135.08023	8.4
135.11673	11.8
137.05977	5.6
137.09572	3.8
142.07796	4.9
143.08554	6.8
145.04945	5.4
145.06482	5.3
145.10120	16.7
147.04433	15.9
147.08029	10.6
147.11659	15.2
149.05942	9.6
149.09587	9.8
153.09145	4.3
157.10098	8.9
159.11687	4.0
161.05945	5.5
161.09599	8.9
161.13210	4.1
163.11185	23.3
165.12735	4.9
167.07121	5.3
171.04375	3.6
171.11647	7.3
173.09612	7.1
173.13206	3.2
175.11177	12.1
177.12727	3.7
187.11278	4.7
189.05423	4.1
189.09018	3.7
189.12694	9.2
191.10663	8.8
193.12262	33.9
205.12328	7.6
207.13759	7.7
211.13240	20.5
217.12270	9.7
223.13272	4.2
235.13284	82.9
247.13287	3.7
249.14873	9.1
253.14310	6.2
255.13974	4.5
259.13327	19.8
265.08795	6.2
267.10406	3.5
267.15933	44.3
273.14856	36.8
277.14343	10.0
279.15710	4.0
283.13315	3.3
285.11215	3.3
291.15817	6.8
301.14365	24.4
309.16956	46.5
319.15381	14.5
345.17157	3.7
351.18015	7.3
375.18130	23.6
393.19254	25.1
411.20139	12.5
429.15796	6.6
429.21536	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2121
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
53.03938	6.5
55.01875	5.8
55.05516	11.9
57.03439	11.9
57.07080	1.3
58.45448	1.7
67.05505	13.5
69.03437	23.9
69.07069	6.4
70.06593	1.1
71.04997	8.1
71.53695	1.5
73.02926	3.1
76.50903	1.0
79.05496	17.4
81.03423	81.0
81.07061	18.2
83.04988	19.0
83.08626	18.3
85.02921	22.7
85.06574	1.6
91.05472	18.8
93.07043	10.4
95.04968	20.6
95.05481	1.5
95.08616	8.4
97.02897	45.5
97.06555	4.0
97.10192	4.7
99.04459	6.2
99.08150	2.0
101.02417	2.4
103.03990	2.6
105.07029	14.4
107.04970	6.9
107.08601	7.7
109.02898	14.3
109.06544	3.0
109.10168	1.8
111.04458	8.9
111.08107	7.5
111.08797	1.1
117.07053	2.6
119.08592	13.3
121.06558	4.3
121.10145	6.9
123.04397	1.8
123.08121	2.4
123.11684	1.7
125.05998	1.4
125.09624	2.2
127.03921	11.4
129.05527	3.4
129.07025	9.1
131.08583	7.8
133.06563	2.3
133.10135	7.9
135.08104	1.5
135.11760	1.8
137.06020	1.8
145.04987	2.0
145.06572	1.2
145.10185	3.1
147.08101	3.6
147.11697	16.1
149.09676	4.2
157.10127	11.9
163.11252	3.4
165.12817	4.3
167.10678	2.5
175.11201	13.4
181.12314	3.1
183.06566	2.3
189.12923	1.7
191.10678	2.7
192.98360	1.2
193.12256	50.7
195.10240	1.8
211.13303	86.5
212.13699	1.3
217.12338	1.9
227.12891	2.6
229.14516	4.3
231.13916	1.7
235.13329	2.6
237.11259	1.7
249.14934	9.4
255.12404	4.5
267.15988	6.6
273.15042	1.4
283.15555	1.9
285.17007	19.6
313.12302	1.2
313.16565	2.5
319.15543	1.9
337.16672	2.4
355.17743	3.5
373.14166	2.3
375.18170	1.7
393.19312	3.2
405.58383	1.3
411.20184	6.0
429.21411	100.0
430.21863	2.1
453.21170	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.4
55.01872	3.9
55.05523	12.0
57.03439	15.2
57.07074	2.2
67.05513	12.2
69.03442	32.9
69.07079	4.5
71.04999	8.5
73.48405	2.3
79.05498	13.7
81.02930	3.7
81.03421	66.8
81.07066	15.7
83.04994	20.7
83.08616	14.9
85.02911	20.1
91.05486	13.2
93.07058	10.0
95.04988	19.5
95.08619	8.0
97.02899	43.3
97.06528	2.9
99.04478	7.0
101.02375	2.6
103.05538	2.9
105.07038	11.9
107.04976	3.1
107.08603	6.0
109.02890	11.9
109.06570	3.7
111.04455	5.5
111.08105	8.7
111.99506	2.3
119.08588	15.1
121.10161	8.1
125.09553	2.4
127.03926	14.3
129.05492	5.3
129.07025	7.2
131.08594	4.2
133.10136	7.3
137.14139	2.3
138.86102	2.5
147.08037	3.6
147.11713	11.5
149.09657	4.3
157.10150	11.0
165.12744	2.8
175.11230	9.5
181.12317	3.4
191.10672	4.3
193.12254	50.0
211.13304	100.0
212.27504	2.1
227.12781	6.4
229.14435	4.6
249.14958	7.9
271.13104	2.2
285.16977	6.0
355.17599	7.8
411.20526	3.9
429.21277	89.4
429.30353	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	429.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.3
53.24567	2.1
55.01870	3.6
55.05519	11.7
57.03439	12.7
58.81454	2.4
61.02915	2.3
63.74708	2.3
67.05520	12.3
69.03444	30.4
69.07072	5.2
70.97369	6.3
71.04996	8.3
73.02917	3.6
79.05490	11.8
81.03423	85.2
81.07048	12.3
83.04988	21.8
83.08621	16.5
85.02909	21.1
87.04491	2.9
91.05464	15.0
93.07053	10.1
95.04974	19.7
95.08611	6.6
97.02902	54.4
97.06546	2.7
97.10173	4.3
98.04131	2.5
99.04463	7.3
104.83043	2.1
105.07053	14.7
107.04942	2.8
107.08599	7.3
109.02895	11.8
109.06441	2.4
109.10147	4.4
111.04449	7.5
111.08079	9.8
113.00018	3.3
113.06064	2.5
115.08306	2.1
119.08593	12.3
121.10153	8.1
125.09688	2.5
127.03897	12.2
129.05476	6.1
129.07024	6.7
131.08583	7.8
133.06479	2.3
133.10173	3.9
145.10164	3.4
147.11684	13.7
149.09650	6.3
153.12654	3.3
157.10121	8.0
163.11156	2.9
165.12810	4.0
175.11185	9.2
191.10725	3.8
193.12265	53.8
211.13306	100.0
227.12784	4.4
229.14404	4.6
249.14886	7.3
270.90775	2.3
285.16904	9.0
355.17496	6.6
429.21222	91.3
429.30954	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	429.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.4
55.01863	3.4
55.05309	1.1
55.05515	12.1
57.03440	15.3
59.04995	1.2
67.05509	11.8
69.03432	37.1
69.07050	4.2
69.11333	1.3
69.26247	9.5
70.06568	1.5
71.04997	8.6
73.02908	2.7
75.10807	1.2
79.05495	10.7
81.03419	87.8
81.07058	12.7
83.04981	24.1
83.08620	18.7
85.02904	22.9
87.04459	1.6
91.05474	13.5
93.07047	10.3
95.04977	17.5
95.08598	5.3
97.02894	55.3
97.06512	3.1
97.10154	2.2
98.21520	3.1
99.04475	9.4
99.08076	2.0
105.07031	11.2
107.04949	2.6
107.08596	4.5
107.99934	1.3
109.02876	13.2
109.06509	2.6
109.10153	2.6
111.04439	9.7
111.08084	9.6
115.05470	1.5
119.08595	10.4
121.10151	5.1
121.10970	1.4
123.11709	1.5
125.05942	1.3
125.09686	3.0
127.03928	14.0
129.05484	7.6
129.07001	6.2
131.08566	6.7
133.06503	2.9
133.10115	5.6
135.11739	1.5
137.09602	1.7
142.07823	1.9
147.07967	1.9
147.11705	11.9
149.09633	4.7
153.12785	2.4
157.10165	9.5
163.11171	3.7
165.12822	3.5
175.11182	13.2
181.12218	1.8
191.10623	2.8
193.12251	56.8
209.11783	1.9
211.13297	97.7
227.12727	5.6
229.14282	7.3
234.99231	1.3
249.14847	7.4
267.16052	1.7
285.17053	6.3
301.14093	2.2
337.16580	2.0
355.17538	5.6
376.26950	1.3
411.20200	3.2
428.40552	1.6
429.21228	100.0
429.31088	14.5
430.21646	1.8
450.23022	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53045	1.5
53.03953	9.1
55.01863	2.6
55.05507	13.6
57.03437	15.2
61.02909	2.5
61.51577	1.3
67.05511	13.9
69.03429	31.5
69.07053	5.3
71.04983	6.7
73.02898	3.1
79.05500	10.7
81.03422	84.8
81.07060	15.3
83.04980	25.4
83.08630	16.4
85.02911	22.2
87.04466	1.6
91.05483	18.6
93.07055	10.3
95.04979	18.3
95.08590	6.5
96.21402	1.5
97.02895	49.6
97.06555	3.7
97.10167	3.8
98.20760	2.8
99.04456	7.1
101.02390	1.8
105.07043	10.9
107.04974	3.7
107.08614	7.1
109.02892	13.6
109.06510	3.6
109.10135	3.3
111.04470	7.7
111.08061	8.6
113.00027	13.9
113.06059	2.4
117.07022	2.6
119.08606	9.9
121.06489	1.6
121.10157	7.6
123.08067	1.9
125.09637	2.9
127.03931	11.5
129.05466	4.7
129.06989	6.4
131.08598	7.5
133.10149	7.2
135.11758	2.1
142.07794	2.2
145.10173	3.7
147.08006	2.4
147.11713	11.5
149.09645	4.9
149.43466	1.5
151.83801	1.5
153.12808	2.5
157.10104	9.4
165.12648	2.6
169.02641	10.1
171.11745	1.6
175.11217	11.8
181.12222	1.7
191.10774	2.0
193.09621	2.0
193.12248	51.2
211.13300	100.0
227.12788	6.0
229.14359	6.0
235.13295	1.7
241.83000	1.4
249.14896	6.6
261.22095	3.0
285.17056	7.0
337.16394	2.3
355.17468	7.2
411.20178	3.1
429.21240	88.0
453.68048	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.4
55.05504	8.8
57.03437	16.1
57.65067	3.7
60.86820	4.1
66.91521	4.5
67.05496	16.1
69.03432	30.2
69.07070	5.2
71.04987	8.5
71.53880	3.9
72.71872	3.7
79.05505	11.6
81.03423	71.1
81.07063	22.1
83.04999	19.1
83.05415	3.7
83.08614	13.1
85.02921	18.4
91.05488	15.8
93.07067	15.1
93.68153	3.7
95.04968	14.5
95.08599	5.9
97.02900	43.9
97.10190	3.5
97.62270	3.6
99.04466	6.6
105.07047	6.9
107.08580	9.9
109.02887	11.2
111.04453	9.2
111.08082	8.3
113.00027	9.4
119.08602	12.7
121.10139	8.5
127.03919	13.6
129.05515	7.7
129.07031	4.8
131.08607	7.3
133.10124	7.1
135.11658	4.3
147.11659	8.9
157.10144	8.7
165.12828	4.7
169.02699	5.6
175.11177	11.0
193.04883	5.0
193.12289	44.2
211.13309	100.0
229.14291	6.0
249.14955	7.1
268.46817	3.9
285.16891	6.4
290.74048	4.0
312.34146	3.7
324.50644	3.9
355.17667	4.0
412.70596	4.5
429.12054	7.7
429.21222	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.212
Annotation	(-)-Sonchuside G
Peak:m/z	Relative Intensity
53.03953	10.7
55.01869	4.1
55.05516	11.2
57.03441	17.2
61.02928	2.1
67.05512	11.3
69.03090	2.2
69.03436	32.0
69.07066	4.2
70.72865	2.7
70.73190	1.8
71.04997	9.3
73.02913	3.3
79.05495	11.1
81.03424	82.9
81.07068	16.4
83.01363	2.1
83.04987	21.3
83.08621	18.3
85.02908	30.6
85.06517	1.3
91.05489	15.4
93.07058	8.0
95.04970	16.1
95.08596	7.0
97.02898	49.6
97.06523	3.7
97.10181	3.1
97.72749	1.5
99.04431	8.1
99.08089	2.4
101.02372	1.4
105.07043	13.2
107.04955	3.4
107.08606	7.0
109.02879	14.3
109.06538	2.1
109.10175	5.9
111.04444	9.6
111.08067	7.5
113.05991	1.7
115.05421	1.5
117.07003	1.7
119.08586	13.9
121.06538	1.8
121.10151	8.7
123.11681	2.6
125.09624	2.0
127.03925	16.1
129.05478	5.2
129.07013	8.1
131.08583	7.5
133.06506	3.3
133.10143	5.9
135.11690	2.7
139.07602	1.7
142.07849	1.9
145.10141	2.7
147.08044	3.0
147.11707	12.6
149.02327	3.0
149.09639	4.6
157.10101	11.3
163.11240	2.8
165.12784	4.8
175.11186	13.4
181.12271	2.8
183.06473	1.5
191.10725	4.1
193.05124	1.9
193.12253	52.3
209.11678	2.1
211.13301	99.2
212.13629	1.8
227.12798	5.5
229.14418	5.6
249.14821	7.7
267.15958	2.9
273.58304	1.6
277.14478	1.5
285.16940	9.3
355.17682	6.7
409.64734	1.7
411.19940	2.8
429.21237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37742	0.7
53.03950	2.0
55.01872	2.9
55.05513	4.0
55.15683	0.9
57.03440	4.3
57.07072	1.1
61.01155	3.9
61.02934	5.6
65.03945	1.4
67.05508	9.2
68.99802	1.6
69.03441	5.6
69.07070	1.8
70.58413	0.8
71.01357	1.1
71.04976	1.4
71.53114	1.1
71.81302	0.8
72.04526	6.7
73.02911	2.7
78.03800	9.6
79.05495	6.6
81.03423	17.8
81.07065	8.9
83.04993	2.3
83.08628	3.1
85.02906	8.8
85.06561	2.5
87.04477	1.5
88.02209	4.9
91.03954	2.6
91.05476	5.2
93.07058	6.5
95.04977	13.3
95.08611	6.1
97.02894	6.0
97.06544	1.5
97.10133	1.6
99.04461	3.4
99.05580	2.2
99.08118	1.0
102.03777	17.5
102.85390	0.9
103.03956	2.1
105.07051	5.1
107.04965	3.7
107.08612	5.2
109.02880	2.9
109.06533	2.3
109.10160	3.8
111.04453	2.8
111.08089	2.7
113.06046	1.5
114.03770	1.0
115.03957	0.9
117.07007	2.2
119.08604	6.2
121.06517	2.5
121.10153	5.3
123.04438	6.9
123.11728	3.7
125.09677	1.8
127.03935	2.6
129.07014	2.0
131.04919	1.2
131.06386	10.6
131.08568	3.7
131.53508	0.9
132.04785	10.5
133.06512	1.6
133.10143	3.5
135.11719	2.5
139.03944	2.5
142.08650	2.1
145.10126	3.8
147.04445	1.2
147.08051	1.4
147.11690	4.1
147.29727	0.9
149.07448	100.0
149.13254	0.9
151.03912	94.7
151.32416	1.0
153.09047	0.9
157.10114	2.4
159.05972	2.6
159.11670	2.1
161.06050	1.3
161.09712	1.1
161.13219	1.5
163.11197	4.1
163.13361	1.0
165.12785	1.6
165.60597	0.8
171.11526	1.0
175.05412	2.0
175.11162	1.2
175.14845	1.0
177.12762	0.9
177.16418	3.0
184.09717	1.9
189.05502	1.2
189.12782	2.1
193.12247	5.2
201.16396	2.0
207.13832	1.6
211.13342	4.7
213.12849	1.1
219.17470	3.5
222.07625	2.1
235.13354	10.6
235.69556	0.9
237.18517	5.1
243.11586	1.7
243.13934	1.2
249.14880	1.7
259.13217	2.3
261.12689	33.5
267.15955	5.5
273.14877	4.1
277.14261	1.0
279.13818	2.0
285.17026	1.7
289.14117	1.0
299.10669	11.5
301.11392	1.0
301.14410	3.8
309.16980	6.0
375.17987	4.0
393.19141	2.4
411.15765	6.3
411.19931	2.0
429.15967	1.1
429.21170	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	429.2098
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
54.03427	0.4
55.64709	0.4
57.32095	0.4
62.13148	0.3
63.13798	0.3
70.06588	0.9
71.52046	0.4
71.52651	0.7
85.02898	1.0
93.38213	0.3
95.04944	0.5
98.97675	0.4
101.11832	0.4
105.06994	0.5
109.06522	0.4
121.02834	0.7
137.59584	0.4
189.12746	0.5
195.03072	0.4
201.08806	0.4
203.05289	0.9
249.14812	0.6
257.47876	0.4
261.03790	0.5
291.14450	0.7
309.15262	0.5
361.96201	0.4
399.20013	0.5
415.17426	0.4
429.21005	100.0
430.21378	1.8
447.83643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.6
55.01868	11.8
55.05507	17.7
56.67120	3.3
57.03432	15.8
59.05003	5.4
61.02917	8.2
67.05507	22.1
69.03078	6.5
69.03432	71.9
69.07070	70.7
70.07401	13.5
71.01364	3.8
71.05001	38.6
71.53226	4.4
73.02918	10.4
76.91963	3.9
79.05495	20.8
81.03426	44.6
81.07068	45.0
83.05015	4.6
83.08619	12.4
85.02912	100.0
87.04474	27.4
89.06042	39.1
90.06356	7.3
91.03962	4.1
91.05451	24.4
93.07044	52.1
94.42893	3.2
95.04987	19.7
95.08608	33.1
97.02910	30.4
97.06514	7.0
98.97582	6.8
99.04470	12.9
99.08124	8.2
101.38583	3.4
103.03955	11.9
105.07030	36.9
107.04951	8.3
107.08615	37.2
107.67136	3.5
109.02882	15.9
109.06510	16.3
109.10157	17.1
110.89941	3.4
111.11709	7.3
115.03943	65.6
115.05437	5.1
117.07015	8.7
119.08583	35.6
121.06506	11.4
121.10180	16.9
123.04416	7.6
123.08077	12.8
123.11708	10.6
125.05946	4.8
125.13275	3.9
127.03937	63.7
127.07609	6.2
129.07001	6.9
131.08546	17.2
133.04984	7.0
133.06491	6.9
133.08623	13.6
133.10091	6.2
134.08942	3.6
135.08080	7.3
135.11699	28.5
137.09625	5.9
137.13268	5.9
139.03889	14.3
141.06897	3.8
143.08588	10.9
145.05003	23.0
145.06514	5.7
145.10150	26.6
147.07948	8.2
147.11664	11.1
149.05978	4.3
149.09612	11.7
151.03911	5.9
151.11191	15.4
153.12752	23.3
155.08514	7.8
157.10017	4.4
159.08109	4.4
159.11697	6.3
163.03880	8.8
163.11174	4.0
165.05498	6.3
165.12781	13.6
171.08054	8.4
173.09605	25.6
175.07584	10.8
175.11105	4.3
177.12758	9.5
183.11646	4.4
185.13135	4.2
187.11060	4.2
189.12718	8.3
191.10664	20.6
193.12257	8.0
195.13684	5.6
201.09203	5.5
207.13846	5.9
211.13190	7.4
215.14397	5.6
219.13881	5.0
225.12674	5.2
229.07039	9.8
231.14067	4.0
233.15244	3.9
237.14813	5.8
239.06850	5.1
243.13818	14.1
249.18773	3.6
259.08231	21.5
261.14893	17.4
267.06641	6.3
279.15891	6.9
284.17734	7.5
297.17017	4.2
351.10910	4.3
375.18250	5.1
393.14920	3.9
393.19318	25.5
394.28571	4.8
411.20163	9.5
412.29886	17.5
429.06406	4.9
429.15347	8.7
429.25278	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	427.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.4
57.07064	0.8
67.05511	0.6
69.07072	7.9
69.54803	0.3
71.53168	0.5
73.06561	1.6
79.05485	0.6
81.07049	0.5
83.05018	0.5
86.09712	100.0
87.10028	0.4
93.07054	0.7
95.08607	0.4
105.07030	0.4
107.08595	0.4
112.07627	0.8
121.10145	0.3
125.25307	0.3
131.08591	0.4
165.99915	0.3
168.13831	1.0
176.11702	0.4
186.14903	75.0
187.15227	0.6
214.14398	29.2
215.14752	0.4
223.19055	0.3
299.23212	0.7
314.19629	14.7
327.22824	0.6
399.28598	11.1
427.27927	1.1
442.57037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3937
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
53.03949	1.9
54.78291	1.2
55.05511	18.9
57.07080	10.0
65.03934	1.9
67.05506	32.8
69.07072	48.2
71.05003	1.8
71.08618	4.0
71.26458	2.6
79.05496	13.3
81.07063	97.9
83.08626	21.8
85.06538	3.0
85.10180	1.6
87.55388	1.3
91.05467	8.5
93.06477	2.4
93.07046	32.2
95.08613	100.0
97.06536	1.7
97.10172	13.5
105.07039	16.4
107.07874	2.7
107.08600	42.2
109.06551	1.7
109.10163	77.4
110.10506	1.3
111.08092	1.6
111.11744	10.7
117.07022	1.3
119.08589	28.1
121.10147	36.9
123.11718	49.3
125.09656	2.9
125.13242	2.2
131.08549	5.1
133.10138	16.9
135.11691	26.5
137.13269	25.7
139.11223	2.4
145.10129	6.9
147.11702	17.0
149.13268	26.8
151.11197	3.5
151.14821	5.1
159.11697	8.1
161.13263	16.7
163.14830	15.3
165.12741	3.1
165.16376	3.0
173.13290	5.5
175.14833	12.2
177.16400	16.4
179.14285	3.5
179.17979	4.8
187.14841	4.8
189.16393	12.1
191.17946	14.4
193.15910	4.1
193.19537	3.2
201.16388	5.7
203.17937	11.8
203.76166	1.5
205.19542	8.9
207.17419	2.5
213.16508	1.7
215.18019	4.6
217.19518	9.7
219.21104	3.0
221.19052	4.9
229.19696	3.0
231.21152	4.7
233.19148	1.8
233.22826	2.6
235.20631	5.8
243.21149	2.5
245.22751	3.8
257.22675	3.4
259.24246	2.5
271.24243	3.6
273.25809	2.9
275.23895	2.2
277.25162	1.8
285.25778	3.9
288.11282	1.9
289.25339	3.1
299.27307	2.1
303.26715	1.6
327.30548	1.8
353.32050	2.6
371.32611	1.3
409.38394	18.1
427.39410	76.5
428.39764	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	428.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.05511	11.2
57.07075	2.0
65.03955	0.7
67.05507	6.4
68.05846	1.0
69.03443	1.1
69.07071	100.0
70.07408	1.3
71.05006	0.9
71.54430	0.6
73.06561	2.4
79.05495	1.7
81.07059	4.7
82.07393	1.0
83.04996	1.7
83.08624	2.6
85.02922	1.9
87.04479	3.3
89.06033	84.5
91.05518	2.4
93.07043	1.4
95.04977	2.5
95.08620	3.9
97.06560	0.9
98.10520	0.8
105.07022	1.4
107.07077	2.7
107.08609	1.5
109.02936	0.9
109.10168	2.6
111.08089	1.1
111.11727	23.6
119.08627	0.9
121.10147	1.4
122.10503	0.7
123.11850	0.6
125.06115	0.6
127.03913	1.1
127.11192	0.8
129.12755	4.7
130.08621	1.0
131.14236	0.6
133.08611	41.5
135.11726	1.5
139.03970	0.8
145.10141	1.4
147.11700	1.0
151.09654	5.0
159.50310	0.7
165.12744	0.8
173.15428	1.7
177.11218	16.6
177.12651	1.0
193.31215	0.6
195.12341	2.9
199.16994	1.2
199.70384	0.7
203.14352	0.8
216.11295	0.7
217.17993	6.7
221.14008	2.0
226.70323	0.8
235.20824	0.9
236.21030	1.6
239.14923	2.1
243.19646	0.9
261.20605	4.2
279.21744	0.8
283.17563	15.3
283.20749	0.8
305.23340	1.3
323.24414	1.1
367.26971	1.5
373.41812	0.8
393.28436	7.3
410.26022	4.1
411.29535	38.8
426.71326	0.6
428.27502	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13227	0.4
52.51848	0.4
57.03433	0.3
57.04549	0.6
65.03896	0.4
70.06571	1.5
71.53507	0.6
84.04534	0.4
85.02881	0.5
88.03983	0.9
94.04055	1.1
119.04942	0.5
121.02862	1.2
123.04443	0.4
123.06647	0.9
133.28770	0.3
147.04416	0.6
148.06248	0.4
150.07751	100.0
150.84793	0.4
151.03723	0.4
151.08119	0.5
164.10669	0.9
191.03477	0.4
193.04961	0.4
203.05238	0.6
216.10027	0.4
217.91510	0.5
242.29744	0.4
244.09700	1.1
265.07513	0.5
282.11877	1.2
283.08481	0.6
295.06000	1.6
295.11496	25.8
303.13147	0.5
304.11505	0.5
307.08691	0.5
321.07538	0.6
325.06891	1.5
331.12973	0.7
337.07001	1.0
349.07068	0.8
351.08609	0.7
379.08118	1.5
391.07965	0.8
391.14783	0.5
409.09158	1.5
427.09900	1.6
427.14291	3.0
427.19388	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.197
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
53.03947	2.9
55.05505	5.4
55.65712	1.9
57.07057	2.6
61.02924	5.0
61.03221	2.4
61.95181	2.1
67.05499	7.0
69.03417	9.0
69.07078	2.8
70.06589	4.0
70.21519	8.0
71.27821	2.2
72.08160	4.8
79.05488	8.0
81.03407	8.5
81.07053	9.3
81.41783	1.9
83.04988	13.7
83.08640	2.9
84.08133	3.7
85.02914	6.7
91.05492	8.9
93.07032	11.3
95.04983	7.6
95.08617	3.9
96.08177	2.4
97.02892	6.6
97.06568	2.8
98.09713	3.2
99.04495	2.0
100.20173	2.0
105.07024	13.2
105.39337	2.1
107.04967	3.9
107.08605	12.1
109.02892	11.4
109.06525	9.1
109.10152	4.2
111.04408	4.1
112.11260	4.2
115.05447	2.8
117.07066	4.5
119.08601	13.3
121.02840	3.9
121.06512	18.2
121.10157	7.1
123.08103	2.7
125.09626	4.1
129.07007	3.7
131.08582	10.8
133.10101	9.8
135.08072	31.2
137.06007	5.8
140.59209	1.9
143.08548	4.7
144.09325	3.7
145.06494	6.2
145.10153	7.0
149.09625	9.1
150.10429	2.5
151.11156	4.1
157.10133	3.7
158.10930	5.6
159.08054	5.0
159.11711	14.3
161.09673	3.6
161.13286	2.7
163.07602	12.0
163.11217	5.7
167.06998	2.8
172.08839	5.6
173.09673	12.4
173.13258	19.9
175.11218	2.9
177.12769	2.2
183.11887	2.3
186.10417	5.4
187.11192	45.1
189.09190	2.7
189.12752	3.4
191.06987	7.4
193.12204	6.9
194.02315	2.1
196.08757	2.6
201.12741	36.2
203.14278	3.3
205.12303	12.8
206.66234	2.5
211.11285	4.8
217.12427	2.8
219.13751	8.0
229.12273	44.5
247.13326	100.0
265.14337	5.2
337.07053	3.4
355.11679	2.5
384.15674	9.5
395.14755	2.7
398.43469	2.2
409.17914	2.2
427.10287	6.4
427.18396	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	425.3782
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03945	4.1
55.05517	17.5
57.07079	11.1
57.86462	3.3
62.29254	2.9
67.05508	39.3
69.07076	50.4
70.10242	11.6
70.14979	2.9
71.08634	5.0
79.05493	17.9
81.07064	100.0
81.07534	7.0
82.87087	2.9
83.08607	17.4
89.06033	5.8
91.05482	13.1
93.07052	42.4
95.08617	97.6
97.06522	7.0
97.10184	10.8
105.07050	33.2
107.08602	61.8
109.06515	3.1
109.10168	79.3
111.11724	17.1
119.08586	40.8
121.10152	53.5
122.53657	3.3
123.08051	4.9
123.11725	34.4
125.09589	3.5
127.11228	3.6
131.08574	8.6
133.08626	3.5
133.10144	29.8
135.11697	35.8
137.09601	4.9
137.13269	17.7
143.08569	6.1
145.10129	16.8
147.11711	30.3
149.13277	30.0
157.10143	7.9
159.11702	19.0
161.13237	26.5
163.14835	18.8
171.11694	5.7
173.13275	12.6
175.14830	13.0
177.16396	15.1
184.07312	4.4
185.13277	5.2
187.14862	11.8
189.16425	18.3
189.90506	2.9
191.17963	12.3
195.17494	8.6
198.30342	2.9
199.14812	4.7
201.16391	12.1
203.18021	13.8
203.73779	2.8
205.19469	5.5
213.16441	6.3
215.18076	8.6
217.19574	11.6
221.73004	2.8
227.17920	3.2
229.19548	6.5
231.21065	6.3
233.19046	4.7
243.21143	3.9
257.22516	6.4
259.24265	6.6
269.22626	6.1
271.24207	4.4
283.24319	4.6
323.35251	3.1
325.28851	4.4
339.30640	3.7
343.29837	5.4
359.14148	3.8
368.00742	3.8
407.36838	24.0
425.21661	4.2
425.38046	67.5
431.08502	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	427.137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	2.3
69.03423	3.2
70.06601	9.7
70.92831	2.0
71.04995	2.1
71.53593	3.4
81.03416	2.2
84.04480	3.2
84.08135	4.7
85.02895	6.1
88.03983	9.1
91.05487	2.1
93.07038	2.2
97.02907	3.1
98.97579	8.3
107.04995	2.8
116.98628	3.6
119.04933	8.7
119.08595	2.6
121.02878	29.3
127.03942	2.7
131.04944	3.0
135.04395	2.6
139.03912	2.7
145.02734	2.2
147.04382	5.0
148.90450	2.1
149.05908	2.1
158.99648	3.0
163.03850	4.3
164.10713	23.9
174.44780	2.2
175.08621	2.1
177.01857	4.8
179.03397	13.3
189.01907	4.5
191.03377	3.0
193.05161	2.9
195.02887	6.2
199.03888	2.8
203.03398	7.2
204.10280	5.2
205.05286	11.9
207.02844	6.1
216.10191	5.5
217.04973	2.6
219.02992	2.8
223.06400	9.0
227.03226	2.3
244.09691	12.1
247.06262	3.4
265.07480	22.3
272.04120	2.2
273.03751	2.3
283.08563	25.5
286.10666	2.8
291.05029	3.3
292.07401	2.9
293.08078	2.4
294.05432	4.5
295.06009	29.6
296.06876	3.8
297.07544	5.2
304.11966	13.7
307.05875	10.4
307.08932	20.7
308.06775	8.0
309.07584	4.3
313.02524	1.9
313.06772	2.0
316.61212	2.7
319.06039	2.2
320.06601	4.5
321.07681	9.5
323.09100	3.3
325.06854	35.6
331.12891	17.8
333.07669	2.2
334.08350	2.6
335.09134	6.0
337.07047	25.8
345.07346	3.7
349.07043	11.2
351.08594	13.3
363.08719	9.8
367.10532	6.3
379.08109	40.2
391.08121	27.2
409.09268	50.1
409.15781	7.3
427.05988	3.4
427.09070	12.5
427.14490	100.0
427.19211	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	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03934	3.2
55.05511	18.0
57.07074	9.1
60.78487	2.6
67.05508	34.8
69.07071	44.0
69.48591	17.2
71.08628	4.6
72.96811	2.3
79.05486	19.3
81.07061	100.0
83.08612	14.1
89.06009	5.2
91.05485	18.3
93.07043	48.3
94.84951	2.4
95.08611	85.8
97.06516	2.5
97.10163	8.4
99.08096	3.9
105.07034	45.8
107.08602	65.0
109.06522	3.9
109.10159	79.4
111.08024	2.6
111.11703	5.6
117.07027	4.9
119.08590	46.7
119.09392	4.8
121.10144	53.2
123.11723	33.6
125.09682	3.2
127.11211	8.2
131.08554	12.1
133.10147	30.4
133.49133	2.6
135.11710	44.9
137.13246	16.7
139.11220	2.4
143.08553	4.3
145.10115	16.3
147.11690	34.6
149.13269	33.6
151.14851	4.2
153.12741	2.5
157.10129	6.5
159.11696	25.9
161.13266	27.5
163.14850	14.3
171.11716	5.6
173.13289	16.9
175.14841	21.9
177.16364	17.3
179.88603	2.2
180.55440	2.5
185.13321	3.3
187.14795	12.9
189.16393	22.8
191.17978	13.4
193.15945	3.8
195.17459	3.6
199.14796	2.8
201.16380	9.4
203.17981	21.7
205.19527	4.3
207.17435	2.7
215.17952	9.2
217.19460	14.0
227.17844	4.5
229.19508	10.1
231.21024	9.0
243.20886	4.0
245.22678	3.8
255.21089	3.1
257.22485	5.0
271.24097	6.0
283.24265	3.9
285.25760	5.3
301.25262	5.3
315.26666	3.6
343.29724	2.8
407.36841	19.3
425.37845	71.9
426.38171	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.47300	1.8
53.47557	2.5
55.05505	15.4
56.31506	2.0
57.07069	7.8
66.44560	1.9
66.76560	2.2
67.05510	28.2
67.27785	2.2
69.07073	37.4
69.48522	14.7
69.49050	1.9
71.05004	2.3
71.08625	3.2
79.05499	17.3
81.07063	90.1
83.04994	3.6
83.08633	14.2
85.06540	2.4
89.06028	4.1
91.05495	12.5
93.07048	41.0
94.59525	1.9
95.08614	89.6
97.06544	2.1
97.10171	10.6
98.21444	4.5
105.07047	32.7
107.08605	64.5
109.10168	72.6
110.10473	2.9
111.08102	3.2
111.11722	4.4
117.07000	3.8
119.08588	35.6
121.10162	42.8
123.08051	2.5
123.11713	35.5
125.09631	5.7
131.08600	8.6
133.01857	2.0
133.10149	23.0
135.11717	33.7
137.09622	2.8
137.13280	17.1
139.11131	2.3
143.08591	2.6
145.10149	15.3
147.11682	28.7
149.13274	31.5
151.14821	4.2
153.12834	2.4
157.10188	4.1
159.11717	18.6
161.13284	20.3
163.14825	18.8
165.12813	5.5
167.07085	9.5
171.11769	5.6
173.13348	11.7
175.14844	14.8
177.16386	14.4
179.18004	2.3
185.13274	2.8
187.14821	6.6
189.16437	10.7
191.17935	9.9
199.14914	2.8
201.16402	11.3
203.17993	16.0
205.19566	6.5
207.17577	2.2
213.16364	2.8
215.17967	6.8
217.19511	12.3
227.17917	3.4
229.19572	8.9
231.21191	7.1
233.22716	3.2
240.15286	2.1
243.21114	3.5
245.22643	2.9
255.21112	2.5
257.22797	4.8
259.24261	4.2
269.22867	3.4
271.24384	5.2
283.24316	3.2
285.25839	4.9
325.28757	4.4
343.29663	2.5
351.30444	3.0
369.31522	2.8
377.76862	2.4
407.36771	26.5
425.37741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3785
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05516	11.4
57.07075	6.1
67.05509	27.1
69.07079	31.6
69.75011	13.4
72.37021	2.0
73.81705	2.3
76.08997	2.2
79.05490	12.4
81.07071	56.5
83.04984	2.1
83.08614	10.1
86.09715	7.1
89.06049	3.8
91.05481	11.0
93.07066	37.2
95.08624	88.0
97.06516	2.5
97.10174	5.7
97.32998	2.1
98.21528	2.9
105.07050	25.3
107.08617	58.3
109.06553	3.1
109.10172	65.9
111.11716	7.7
117.07048	3.5
119.08595	33.9
121.10162	57.6
122.03888	2.2
123.08101	2.2
123.11727	37.9
125.13267	3.2
131.08597	8.0
133.10147	36.1
135.11720	39.7
137.13272	14.2
145.10176	19.2
147.11705	24.2
149.13301	21.6
151.14880	3.4
157.10104	3.3
159.11690	14.4
161.13283	21.2
163.14853	27.1
171.11726	3.8
173.13283	15.8
175.14854	19.1
175.20969	2.7
176.88605	2.3
177.16420	19.4
179.18059	3.8
185.13353	4.8
187.14865	14.7
189.16367	20.7
191.18048	13.5
199.14894	4.4
201.16420	9.8
203.17987	10.4
205.19540	12.4
207.17499	10.9
213.16406	2.7
215.17938	11.1
217.19548	17.2
219.17575	3.3
219.21091	6.9
227.18056	3.5
229.19539	6.2
231.21158	15.8
233.19188	2.7
239.14864	2.7
243.21086	14.2
245.22723	12.0
255.21039	5.2
257.22690	9.3
259.24292	7.6
261.22208	5.2
269.22665	14.3
271.24304	10.1
273.25708	2.9
283.24271	5.3
285.25772	8.4
287.23837	4.2
311.27423	5.2
320.35553	2.2
323.27353	2.8
329.28241	13.6
407.36749	34.3
425.21661	4.3
425.37848	100.0
442.00763	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35548	0.2
67.05475	0.6
81.07052	0.4
90.53758	0.2
92.17731	0.2
93.07043	0.3
95.08566	0.3
98.20751	0.6
103.61766	0.2
107.08617	0.3
109.10160	0.4
109.64343	0.2
119.08622	0.3
121.10124	0.4
123.11696	0.2
126.29141	0.2
162.77126	0.3
165.09128	0.7
188.00336	0.3
195.84590	0.3
203.05281	27.3
244.08038	0.5
269.62952	0.3
425.25113	100.0
426.25479	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03931	2.0
55.05513	10.5
57.07068	4.3
65.03945	1.7
67.05512	22.0
67.05847	2.6
69.06728	2.0
69.07074	25.2
70.12066	2.5
70.12454	3.3
71.62238	1.2
79.05495	10.1
81.07060	44.4
83.08624	8.9
91.05475	6.8
93.07043	24.4
95.08614	87.6
97.06507	2.7
97.10173	5.9
97.78033	1.5
105.07032	18.5
107.08604	45.2
109.10161	70.1
111.08113	1.6
111.11697	7.8
119.07790	2.7
119.08591	30.6
121.10151	38.3
123.08022	2.3
123.11706	28.0
131.08540	6.4
133.10132	21.8
135.11697	30.9
137.13258	16.3
143.08536	2.6
145.10141	8.0
147.11688	22.5
149.13248	15.3
159.11720	11.8
161.13269	18.7
163.14838	15.5
171.11703	2.8
173.13309	6.8
175.14844	12.8
177.00900	1.4
177.16391	11.1
179.14317	4.0
179.17999	2.2
185.13217	1.6
187.14828	6.4
189.16397	22.9
191.17961	20.7
191.93298	1.4
199.14830	1.6
201.16473	8.7
203.17982	12.4
205.19551	17.7
207.17390	7.5
213.16451	1.7
215.17973	11.2
217.19514	10.5
219.17397	3.5
219.21069	1.8
227.17899	2.6
229.19516	5.3
230.42477	1.4
230.87085	1.5
231.21089	5.8
233.19060	2.3
241.19424	3.0
243.21138	6.2
245.22696	17.2
247.20639	10.9
255.21037	2.2
257.22726	2.7
259.24292	3.4
261.22198	3.2
269.22601	2.9
271.24231	4.8
273.25842	2.0
283.24121	3.8
285.25748	3.9
326.71964	1.5
407.36707	26.5
407.42084	1.6
425.37781	100.0
426.38080	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.4
55.01863	5.2
55.05513	74.8
57.03447	2.7
57.07079	6.3
65.03961	3.9
67.05505	30.5
69.03426	6.3
69.07066	15.5
70.06596	2.5
70.56569	2.6
71.05000	7.3
77.03910	3.1
79.05498	40.0
81.03400	4.7
81.07059	52.5
83.04984	43.2
83.08620	7.3
85.02918	9.3
85.06548	7.9
91.05487	44.3
93.07050	100.0
95.04979	23.3
95.08609	51.1
97.06529	19.6
103.05464	3.9
105.07038	65.6
107.08598	97.1
109.06527	17.9
109.10167	17.8
111.04469	3.9
111.08084	10.8
115.03839	3.6
115.05450	3.7
117.07024	12.8
119.08582	64.0
121.06518	17.0
121.10152	92.8
123.08094	8.9
123.11700	10.5
125.05983	3.6
125.09611	3.3
127.03941	3.2
129.06976	4.5
130.07838	3.1
131.08557	28.6
133.10139	44.1
135.08078	25.0
135.11700	13.9
137.05931	2.6
137.09642	11.7
139.07578	3.4
143.08560	4.8
144.09355	7.1
145.10132	43.8
147.04404	4.0
147.08041	4.0
147.11688	57.8
149.09634	13.8
149.13266	89.2
151.11223	4.0
157.10147	8.1
159.08080	5.4
159.11699	60.1
161.09714	4.1
161.13280	10.3
163.11201	11.8
163.14839	8.9
165.09126	11.7
171.11765	3.3
173.09639	6.3
173.13237	5.0
177.12770	47.0
177.16399	21.1
181.54321	2.5
187.11246	6.0
187.14812	46.2
189.12756	2.7
189.16341	7.8
196.94655	2.5
197.13193	4.3
205.15874	27.2
215.10687	4.8
215.14409	14.2
220.78429	2.8
233.11729	4.2
233.15358	18.3
251.16473	4.5
333.13437	2.8
404.08682	2.9
407.20639	6.6
425.21603	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	425.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.01865	4.4
55.05515	13.6
57.03432	2.1
67.05498	7.2
69.03424	4.4
69.07073	4.1
69.48751	14.5
71.04993	16.4
79.05493	17.1
81.03429	2.4
81.07056	13.3
81.61734	1.8
83.04969	7.9
85.02900	3.0
91.05476	17.2
93.07047	23.5
95.04974	9.7
95.08611	4.8
97.06529	11.0
99.04473	11.8
101.06010	4.6
104.82568	2.1
105.07042	32.9
106.07374	2.1
107.04949	7.2
107.08586	7.5
109.06514	4.0
109.10134	3.6
113.06024	3.0
117.07034	13.4
119.08586	12.2
121.06516	38.9
123.08035	2.3
123.11726	4.0
125.05985	8.5
125.23921	2.1
128.06175	2.5
129.07010	8.8
130.07780	8.9
131.08580	20.3
133.06514	5.8
133.10118	8.0
135.04431	3.0
135.11703	3.8
135.62430	2.8
139.07547	6.6
141.07004	3.7
142.07814	2.1
143.08577	7.5
144.05711	2.5
144.09375	4.1
145.06508	18.6
145.10132	76.8
145.11292	3.7
147.08046	3.4
147.11707	4.7
154.07796	3.7
155.08539	5.0
157.06523	2.9
157.10167	4.7
158.07301	19.1
159.08066	21.5
159.11699	36.8
161.09660	2.6
163.11172	3.9
169.10123	8.0
171.08064	2.6
172.08839	6.9
173.09627	100.0
182.07254	3.3
183.13829	2.6
184.14160	5.5
187.09523	4.1
187.11189	62.0
187.12843	4.3
191.08243	2.7
191.10696	4.1
197.09641	7.1
201.14807	3.3
202.15210	3.5
205.12259	23.7
215.10674	43.0
233.11736	31.0
260.77783	2.2
275.20102	5.1
287.09134	2.2
350.13599	2.8
407.17056	2.8
425.16971	21.0
425.21967	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	425.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.7
65.16217	1.6
67.00320	1.5
67.05511	4.5
69.03430	2.9
69.07069	3.6
70.00900	3.4
70.01263	3.5
79.05504	3.6
81.03419	1.8
81.07076	11.9
83.05000	2.2
83.08135	1.4
83.08630	1.5
83.78825	1.4
85.02914	2.5
91.05472	7.3
92.05825	1.7
93.07044	6.9
95.04971	2.5
95.08609	4.8
97.02897	2.0
97.06528	2.0
105.07024	5.3
107.08606	4.9
109.06530	1.6
109.10161	4.3
111.04442	2.2
119.08568	4.2
121.10161	5.1
123.08071	1.6
129.52014	1.5
131.08575	2.9
133.10167	3.9
135.11699	2.0
137.09630	2.8
139.11179	2.1
143.01955	1.7
147.11714	1.8
161.03072	2.1
165.09174	12.8
184.12175	1.5
186.42964	1.6
189.12810	2.6
190.13089	4.7
201.03725	1.9
203.05331	8.5
205.71017	1.6
243.04723	9.7
245.06416	6.5
267.38211	1.6
271.04300	1.5
287.03763	81.1
289.05328	70.1
293.29410	1.8
330.17859	1.9
333.13327	4.7
381.18729	5.1
425.17813	100.0
425.24939	30.7
426.17999	2.5
432.78915	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	3.8
63.56491	0.8
69.31022	7.0
70.98106	1.2
71.14873	0.9
78.71946	1.0
78.73158	0.9
82.99860	2.7
84.96041	1.4
93.37428	0.9
97.02902	1.7
98.13774	0.8
98.97580	6.6
101.00882	16.8
109.02866	1.3
110.97536	1.2
112.99107	1.3
113.00876	3.8
116.98589	1.5
119.01942	11.3
127.02413	3.7
128.98581	1.8
131.00154	0.9
131.01892	5.3
139.02385	2.1
143.00215	1.8
143.01903	40.1
145.03481	8.3
146.99623	1.1
147.01361	1.3
155.01904	16.7
157.03473	5.9
158.99661	2.4
161.02966	33.2
162.99110	1.1
167.01918	11.0
169.03487	3.2
173.02965	16.5
174.99147	1.4
175.04507	1.3
177.00748	1.4
179.01930	6.4
179.25389	1.0
183.05002	1.0
185.02957	30.2
186.99217	1.1
187.04527	4.1
188.97063	1.7
191.02425	1.0
191.04063	3.4
193.00177	1.2
197.02983	13.4
203.04013	14.2
205.00195	1.8
209.03027	1.5
215.04054	6.9
217.41438	0.9
219.01878	1.4
221.05075	1.7
223.01280	1.0
227.03981	7.9
233.05164	1.6
237.02806	1.0
245.05090	100.0
246.05215	1.9
251.04527	1.1
257.05084	6.4
263.00714	1.1
263.06165	25.8
275.06168	14.0
293.07065	2.4
295.06989	2.8
303.09286	1.2
305.01700	2.6
305.07123	11.6
321.10376	1.5
333.01279	2.9
335.08240	4.1
347.08478	1.5
351.02246	1.2
365.09442	10.4
425.06659	4.4
425.11795	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
57.07077	0.3
61.01157	0.7
65.00624	0.3
65.03940	0.7
67.05502	0.7
69.07063	0.6
71.54224	0.5
72.04503	1.2
76.65414	0.3
78.03780	1.1
79.05483	0.5
81.07047	0.9
85.06514	0.4
88.02213	1.0
91.05483	7.9
93.07022	0.4
95.04959	0.4
95.08611	0.7
102.03752	1.6
105.07038	0.5
107.08585	0.6
109.10151	0.4
113.02351	0.7
113.06057	0.4
114.03755	1.2
119.04945	21.6
120.90480	0.3
121.10117	0.5
124.07584	0.4
131.06410	1.1
132.04761	1.8
133.10118	0.5
142.08658	1.8
145.10126	0.7
147.04410	100.0
148.04756	0.4
149.07446	9.5
159.05846	0.6
175.05383	0.3
184.09778	0.3
186.43625	0.3
187.11255	0.4
218.08121	13.1
233.17853	0.3
243.11552	0.6
261.12695	7.6
277.10098	0.4
295.11121	15.8
390.45151	0.3
407.16364	10.6
407.27704	0.4
425.17416	0.7
425.22266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05316	1.2
55.05518	15.2
57.03437	1.7
64.83037	1.7
67.05504	3.2
69.03419	4.6
69.07054	5.0
71.04972	2.5
71.09956	2.2
79.05477	4.8
79.14794	1.4
81.07051	6.2
83.04993	12.4
83.08630	14.1
83.22660	1.3
85.02930	8.6
85.06548	3.0
87.15929	1.2
91.05473	3.3
93.07038	6.0
95.04966	9.7
95.08593	4.6
96.44362	1.4
97.02869	1.9
97.06512	7.4
97.10124	2.8
99.04462	3.2
99.08073	1.7
105.07035	6.8
107.08597	16.6
109.06507	14.3
109.10149	14.5
111.08076	4.2
115.07574	2.4
119.08584	4.4
121.10148	22.5
123.08062	3.0
123.11685	5.2
125.09604	4.2
127.03914	2.2
131.08560	4.7
133.09225	2.6
133.10130	21.4
135.08076	2.4
135.11681	5.8
139.11191	1.5
145.10120	2.5
147.11684	5.0
149.13258	6.0
151.11188	19.1
153.09114	5.4
158.10896	3.2
163.14871	7.6
165.12846	1.8
167.14331	16.6
169.31422	1.4
173.13261	16.1
191.14311	22.1
209.15379	100.0
219.46143	1.6
227.16504	11.6
251.03682	1.4
346.23987	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	4.5
66.05334	0.6
70.98116	1.2
70.99821	0.7
71.09323	1.2
72.29367	0.5
72.96042	0.5
81.03447	0.6
82.99831	3.1
84.96025	1.7
85.02912	1.1
97.02894	1.0
98.97594	9.2
101.00887	17.4
109.02895	0.9
110.97573	1.1
112.99126	0.7
113.00885	4.2
116.98614	2.3
118.34094	0.6
119.01923	15.7
124.95406	0.6
124.99117	1.4
127.02448	4.1
128.98595	2.2
129.04007	0.7
131.00180	1.4
131.01906	6.1
133.01620	0.7
133.03526	1.0
137.02971	0.8
139.02376	1.5
140.98587	0.9
143.00124	2.1
143.01907	38.6
144.02016	0.7
144.98099	1.1
145.03465	9.1
146.99635	2.4
147.01381	0.6
153.03973	0.8
155.01917	16.9
157.03502	6.1
158.99660	3.2
161.02969	38.3
162.99171	1.2
167.01915	12.9
169.03520	3.3
170.96028	2.2
171.05075	2.4
173.01431	1.2
173.02977	16.2
174.99187	1.9
175.04491	1.2
177.00774	1.5
179.01889	5.7
185.02965	32.2
186.99188	2.5
187.04503	3.6
188.97066	1.1
189.00740	1.2
191.02306	1.0
191.04002	3.6
197.01250	1.1
197.02975	12.1
199.04494	1.2
203.02347	0.9
203.04031	15.7
205.00154	2.8
207.01900	0.7
209.03027	1.4
215.04054	7.2
217.05731	0.8
219.01759	1.1
221.05133	1.4
223.01291	1.2
227.04007	7.6
230.98164	0.8
232.99646	0.7
233.05203	0.9
237.02800	0.9
243.01917	0.7
245.05086	100.0
246.05287	1.3
247.01205	1.3
251.04453	0.7
256.99619	0.7
257.05096	6.0
261.02905	0.9
263.00760	1.3
263.06149	24.4
264.06357	0.6
269.05493	1.1
272.99463	0.7
273.02856	0.6
275.06140	12.9
277.02386	1.0
289.02472	0.8
291.00449	0.6
293.07281	3.6
295.03580	0.7
295.06985	1.5
300.98724	1.2
303.09195	1.9
305.01807	3.1
305.07166	11.0
311.06689	0.7
321.10287	2.0
323.02982	0.8
333.01361	3.7
335.03030	0.7
335.08197	4.2
347.08157	1.3
351.02365	1.3
365.09344	11.3
383.09464	0.7
407.62421	0.7
425.06241	1.4
425.11661	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	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15041	1.5
55.05508	13.1
57.03444	2.6
67.05502	4.7
69.03414	5.0
69.07060	5.4
70.15565	1.8
70.64848	5.3
71.04974	2.7
72.08152	2.0
74.09697	1.6
79.05465	4.2
81.07066	10.5
83.04975	13.3
83.08614	12.0
85.02899	7.5
85.92962	1.7
86.09705	3.2
91.05468	2.8
93.07038	6.0
95.04986	12.0
95.08610	7.6
97.02863	3.1
97.06515	6.1
97.10184	2.9
99.04443	3.7
101.43555	1.8
105.07025	5.9
107.04941	2.0
107.08617	12.0
109.06525	8.9
109.10161	11.2
111.08089	3.5
111.11757	1.7
115.07616	1.9
119.04955	1.7
119.08609	3.0
121.10126	16.2
123.04441	3.5
123.08175	1.9
123.11688	4.6
125.09644	5.1
127.03938	3.0
127.07601	3.1
131.08557	5.5
133.10124	13.2
135.11688	4.3
139.03900	5.1
139.11203	10.6
145.04968	2.0
145.10135	4.8
147.04419	10.5
147.11703	5.0
149.09634	2.2
149.13272	3.8
151.03888	2.3
151.11177	15.9
153.09114	4.7
157.12198	2.2
163.03886	5.3
163.14816	2.5
167.14311	18.1
173.13263	7.8
191.10561	2.9
191.14314	12.6
209.11768	5.4
209.15382	100.0
227.12816	6.7
227.16437	7.4
245.13846	2.6
262.10724	3.8
262.20166	3.1
286.07220	3.1
301.41473	2.1
308.22852	1.8
339.82477	1.8
424.25589	1.9
429.95477	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.5
55.05513	7.7
57.03446	2.2
57.07073	1.9
61.02950	1.8
64.95985	1.7
67.05513	4.3
69.03421	5.2
69.07076	12.3
69.27465	14.9
70.06586	1.7
71.04989	6.2
75.59508	1.4
79.05497	3.8
81.07061	29.1
83.04993	10.1
83.08624	3.9
85.02909	11.2
85.06517	3.0
87.04498	2.6
91.05485	6.6
93.07046	20.8
95.04964	8.4
95.08619	17.5
96.64036	1.9
97.02899	3.5
97.06523	6.1
97.10175	1.7
99.04451	5.0
99.08085	6.8
101.06033	2.2
105.07047	9.2
107.08610	31.0
109.02847	2.0
109.06498	4.5
109.10174	14.8
111.08067	6.4
112.10799	1.8
115.03916	3.0
115.07589	3.8
119.04956	1.7
119.08593	8.1
121.06487	5.3
121.10168	28.6
123.08069	4.3
123.11697	4.7
125.09576	1.9
127.03922	2.7
127.07558	5.3
131.08548	5.4
133.10152	14.6
135.08055	6.6
135.11705	17.0
137.09625	2.9
145.04922	2.9
145.10141	3.4
147.04449	3.9
147.11726	10.3
149.09631	4.1
149.13278	26.3
151.11168	2.9
153.09085	3.3
163.14850	17.1
165.12761	18.8
167.10712	1.8
167.14244	3.8
173.13271	11.4
191.14307	40.4
197.15405	8.9
209.15382	100.0
227.12943	2.8
227.16428	67.1
238.94194	1.8
245.13872	1.6
262.10757	6.8
319.87784	2.3
346.00116	1.5
355.69083	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26839	0.6
53.03937	0.8
55.05518	5.3
55.36852	0.6
57.03437	1.8
57.07080	4.8
62.55968	0.5
66.59425	0.6
67.05513	7.2
69.07075	8.5
69.31946	4.5
69.32372	1.1
71.05000	0.7
71.08621	3.8
79.05499	4.7
81.07067	13.5
83.04968	1.7
83.08627	2.8
85.06539	2.5
86.00259	0.6
91.05491	4.0
93.07061	7.0
95.04984	0.9
95.08616	12.3
97.06533	1.2
97.10204	0.9
99.08093	1.8
105.07038	4.7
107.08598	8.2
109.06526	13.9
109.10163	5.8
111.08109	1.1
112.99990	1.5
117.07089	1.1
117.14285	0.6
119.08598	6.0
121.06561	0.9
121.10154	4.9
122.07313	2.0
123.08076	22.0
123.11717	2.7
127.50719	0.6
131.08589	1.8
133.10150	4.6
135.08095	5.0
135.11717	3.1
137.09653	1.7
137.13312	1.1
143.08612	1.0
145.10126	3.2
147.11653	3.5
149.09605	0.8
149.13271	2.5
159.11726	2.7
161.13258	1.3
163.11180	1.1
163.14775	1.0
165.12778	1.0
167.14334	1.4
169.02689	1.0
171.11760	1.5
173.13280	1.7
175.14880	1.4
177.12807	1.3
177.16420	0.9
179.14325	69.4
180.14706	0.9
187.14909	1.0
189.16431	1.4
191.14314	1.4
193.15929	1.7
203.17969	0.8
205.15874	3.2
205.19556	0.8
215.17984	0.8
233.19135	0.9
275.20157	1.5
303.26849	1.5
311.25903	1.2
313.25336	1.1
331.26334	24.4
339.98322	0.6
349.27466	5.5
367.24966	0.7
405.30035	1.5
405.35043	0.9
423.31097	100.0
423.35938	5.4
424.31668	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	423.3626
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03935	3.1
55.05514	15.6
56.08367	2.0
57.07077	5.0
58.40804	2.2
60.30627	2.4
62.21380	2.1
65.03939	4.0
65.38205	2.0
67.05511	65.5
69.03417	3.4
69.07077	23.4
71.04993	4.0
71.53236	2.5
79.05494	24.8
81.06589	4.7
81.07064	80.4
83.04984	5.3
83.08622	10.6
83.33835	1.9
85.06545	4.9
87.99399	2.6
88.68778	2.4
91.05478	29.9
93.07053	51.3
95.04948	3.3
95.08070	4.1
95.08618	59.1
96.72525	2.1
97.06512	3.9
99.61778	2.2
105.07038	52.7
107.08609	47.5
109.06524	5.0
109.10162	57.4
111.08108	3.2
111.11686	2.7
115.05495	2.2
117.07001	11.8
119.08600	40.5
121.10156	42.6
123.08067	5.8
123.11716	24.5
129.06964	6.2
131.08577	23.6
133.10135	39.6
135.08095	3.6
135.11708	33.1
137.13277	3.9
142.07903	2.1
143.08574	7.8
144.09158	2.2
145.10139	29.7
147.11678	34.4
149.13280	19.2
157.10152	9.6
159.11705	27.1
161.13246	19.8
163.14835	8.8
169.10213	4.5
171.11719	8.3
173.11855	3.7
173.13278	17.7
175.11232	2.3
175.14822	16.8
177.12805	3.2
177.16402	13.4
179.14279	5.6
183.11693	3.2
185.13229	7.1
187.14812	8.6
189.12930	2.7
189.16409	18.5
191.17935	6.5
197.13283	3.2
199.14813	7.1
201.16389	41.8
203.17944	22.0
205.15791	2.6
205.19560	3.1
213.16519	3.8
215.17900	14.8
216.89468	2.0
217.19499	31.4
219.17484	9.2
227.17982	4.9
229.19580	5.1
229.41394	2.3
241.19450	5.0
253.19655	5.2
255.21057	7.5
265.16168	2.3
281.22675	4.4
294.53897	2.3
299.23898	2.2
321.25916	3.8
331.26373	2.9
349.28906	4.0
365.31888	3.5
367.29877	4.4
405.35153	48.3
423.27313	24.6
423.36237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.7
55.01878	1.6
55.05513	12.8
57.03430	3.1
57.07072	1.7
58.98679	0.7
59.05004	2.4
65.03944	3.1
67.05508	100.0
69.07081	10.1
69.78939	1.0
69.79359	2.7
71.04993	4.4
79.05499	19.1
81.03439	2.1
81.07063	45.8
83.04984	3.2
83.08621	9.8
85.06533	4.4
91.05482	14.0
91.06021	1.1
93.07052	26.0
95.04969	2.7
95.08609	10.9
97.06546	4.7
97.10191	0.8
99.08086	1.1
102.19377	0.9
105.04508	0.9
105.07025	3.4
107.08601	14.2
107.09747	0.8
108.01816	0.8
109.06535	1.7
109.10164	56.7
111.08092	4.8
114.49068	0.7
117.07039	3.3
119.08602	6.0
121.06552	0.8
121.10133	6.1
123.11707	1.7
125.09637	0.7
131.08574	5.0
133.10135	5.1
135.11700	4.4
137.09622	2.4
149.13260	12.4
149.29826	0.9
151.11185	1.8
155.10699	4.5
159.11711	5.3
160.53755	0.7
173.11751	16.5
177.12788	2.8
184.82237	0.8
195.13828	10.4
368.47910	0.9
423.27454	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01862	1.1
55.05518	4.5
55.50084	0.3
57.03421	1.7
57.07085	3.3
60.45661	0.4
67.05509	11.9
69.03429	0.6
69.07072	5.1
69.34839	1.6
69.35269	1.5
70.00888	0.4
71.04970	1.2
71.08640	3.7
79.05495	6.2
81.06591	0.8
81.07057	13.9
83.04958	0.7
83.08626	2.8
85.06548	1.9
85.20656	0.4
91.05476	4.2
93.07043	7.5
95.04955	0.9
95.08612	10.0
97.02876	0.9
97.06517	1.5
97.10151	1.2
98.20782	0.9
99.08070	1.5
104.24937	0.4
105.07038	4.8
107.08598	6.3
109.06515	14.5
109.10162	6.3
111.08076	0.7
117.07008	0.9
119.08592	5.1
121.06496	0.8
121.10145	4.6
122.07295	1.2
123.08074	27.5
123.11700	1.4
131.08580	1.5
133.10127	3.9
135.08051	5.8
135.11707	2.3
137.09634	1.1
137.13301	0.5
143.08560	0.6
145.10155	2.9
147.11682	2.5
149.09653	2.0
149.13310	2.0
151.11162	0.4
151.14787	0.5
155.08670	0.4
157.10071	0.9
159.11682	2.3
161.13240	1.2
163.14827	1.0
165.12775	1.1
167.14345	1.3
173.11749	0.5
173.13187	0.8
175.14835	0.7
177.12779	1.8
177.16411	0.7
179.14317	69.1
180.14684	0.8
187.14790	0.8
189.16299	0.6
191.14313	1.4
193.15875	2.4
201.16339	0.7
205.15891	2.4
219.17410	0.7
227.18004	0.4
233.19087	1.0
261.22293	0.6
263.20123	0.6
273.05542	0.4
275.20105	2.2
289.21738	0.5
289.25272	0.8
293.21240	1.4
303.26959	2.0
309.70227	0.4
313.25229	0.6
331.26343	25.7
349.27344	6.3
367.24927	1.0
405.30051	1.6
423.31128	100.0
424.31677	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	423.2741
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
52.54335	2.5
52.78999	2.4
53.03942	6.8
55.01857	8.1
55.05513	28.7
57.03424	7.7
57.07083	3.9
59.04982	2.7
60.62925	2.2
65.03944	4.0
67.05506	100.0
69.03430	29.2
69.07072	26.4
71.04980	9.9
71.05338	2.1
71.08615	2.1
71.52898	3.2
73.02914	3.2
79.05495	68.3
81.03420	34.6
81.06593	4.5
81.07059	92.7
83.04990	10.4
83.08621	14.2
85.02905	13.3
85.06532	5.8
91.05487	53.7
91.50374	2.0
93.07047	74.9
93.07639	3.9
95.04975	13.3
95.08607	59.9
97.02885	11.0
97.06522	7.6
97.10158	4.5
97.27584	2.2
99.04440	8.0
99.08076	3.5
103.03935	3.8
105.07028	53.0
107.04931	7.3
107.08596	50.3
109.02863	6.8
109.06490	9.1
109.09468	3.5
109.10160	42.0
111.04417	8.6
111.08059	6.2
115.05429	2.4
117.07018	26.6
119.08578	42.3
121.06493	6.9
121.10143	39.4
123.04387	3.4
123.08057	6.1
123.11711	12.7
125.09602	4.7
127.03894	7.3
129.05472	5.3
129.07010	15.3
131.08572	33.4
133.06477	5.2
133.10121	35.7
135.08052	6.4
135.11694	26.5
137.09624	4.1
137.13260	4.6
139.11203	3.1
141.06990	3.1
142.07733	2.8
143.08592	12.6
145.06505	3.3
145.10124	24.2
147.08017	5.9
147.11671	23.3
149.09599	7.4
149.13284	14.1
151.11238	3.4
155.08528	6.5
157.10107	12.3
159.08047	6.0
159.11693	29.4
161.09587	4.8
161.13211	16.0
163.11186	3.1
163.14780	5.3
167.08562	2.7
169.10094	5.5
171.07971	2.3
171.11700	11.5
173.11829	3.5
173.13249	17.4
175.11176	5.0
175.14798	7.9
177.12717	4.8
177.16266	2.9
179.14320	7.0
183.11650	5.1
185.09610	2.7
185.13304	10.3
187.11166	3.5
187.14816	7.2
189.12691	3.6
189.16483	2.1
195.11836	2.3
195.13847	3.8
197.13232	4.5
199.11218	3.0
199.14848	4.6
199.32909	2.5
201.12718	4.1
201.16432	2.4
213.12828	2.6
213.16327	4.0
215.14343	2.7
223.14915	3.9
225.16394	3.7
235.13206	2.4
235.17085	3.0
241.19514	4.2
242.85724	2.1
243.21095	5.1
249.14912	2.8
259.20581	10.9
261.22171	18.6
271.20685	3.4
273.22287	2.9
277.21634	7.7
289.21683	4.5
291.23166	3.4
301.21594	4.7
303.23260	15.0
313.21780	4.7
315.23166	5.2
317.24576	2.6
323.23453	2.7
327.23044	3.4
335.20660	2.4
341.24835	4.2
345.24155	4.4
351.23105	10.5
363.26541	3.4
369.24182	29.4
387.25336	24.2
405.26315	29.6
423.27267	42.4
423.36407	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01866	1.0
55.05275	1.1
55.05515	12.5
57.03429	2.8
57.07082	1.5
59.05011	4.1
61.07761	0.7
65.03934	2.0
66.76534	0.8
67.05508	100.0
69.03426	1.1
69.07073	10.9
69.79060	3.1
69.79468	1.6
71.04987	3.2
71.23713	0.8
79.05067	1.5
79.05496	20.1
79.87394	0.7
80.05841	0.7
80.29071	0.7
81.03425	1.8
81.07063	46.6
83.04974	3.4
83.08631	9.7
85.06555	3.8
91.05486	16.4
93.07053	24.8
95.04984	2.1
95.08612	13.5
97.06544	4.9
98.21487	1.4
99.08069	1.2
105.07037	4.3
107.08603	15.1
107.09322	1.5
109.06555	1.6
109.10160	57.6
111.08091	5.2
117.07043	5.1
119.08598	6.6
121.06512	1.2
121.10146	7.3
123.08096	1.0
123.11703	1.5
131.08594	4.5
131.09412	0.7
133.10155	7.9
135.08043	1.6
135.11702	4.4
137.09651	2.8
143.08546	1.1
145.10103	1.4
147.11641	1.0
149.13284	13.9
151.11212	1.3
155.10678	5.3
159.11699	6.6
161.13315	0.9
173.11752	17.4
173.13200	1.1
177.12790	2.9
183.11731	1.0
195.13811	10.3
213.14859	1.7
284.67087	0.8
331.22415	1.0
405.26227	1.3
423.27451	73.7
424.27884	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88733	0.6
53.03942	2.2
55.01881	1.8
55.05262	1.2
55.05517	13.2
57.03444	2.9
57.07081	1.5
59.05012	3.3
65.03957	3.3
67.05510	100.0
69.03444	0.8
69.07072	10.2
69.23756	5.3
69.24185	0.8
71.05003	3.6
79.05500	20.6
81.03439	1.5
81.07064	46.9
83.04985	2.7
83.08625	11.2
85.06552	2.8
91.05489	16.4
91.05931	0.5
93.07055	23.6
95.04977	3.0
95.08615	13.1
97.06545	4.4
97.10184	0.9
98.21523	1.6
99.08086	1.3
105.04556	0.6
105.07049	4.1
107.08599	13.7
107.09293	0.7
109.06539	1.8
109.10166	58.5
109.56737	0.6
111.08104	4.7
117.07030	4.2
119.08598	5.1
121.06555	1.2
121.10149	6.2
123.11704	1.9
125.09666	0.7
131.08606	4.3
133.10149	5.2
133.56775	0.7
135.08054	1.1
135.11674	4.3
136.95251	0.6
137.09662	2.5
149.13268	13.8
155.10692	5.8
159.08069	0.7
159.11707	4.9
167.34506	0.5
173.11760	17.0
173.13194	1.1
177.11349	0.7
177.12724	3.6
195.13812	11.3
213.14861	1.7
249.06737	0.6
256.70459	0.6
297.16699	0.7
331.22385	0.7
405.26352	0.9
423.27444	83.1
424.27902	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29087	2.1
53.03942	3.4
55.01863	4.8
55.05503	8.3
57.03430	3.7
64.20368	2.3
67.05493	11.0
68.12225	2.5
69.03095	3.0
69.03435	44.2
69.07060	10.5
69.42780	2.3
70.28299	8.7
71.05001	3.4
71.88043	2.6
77.52734	2.5
77.82470	2.4
79.05521	5.8
81.07065	13.5
83.04973	7.0
83.08621	5.5
85.02892	11.7
85.06519	5.6
87.04476	2.7
91.05484	20.9
93.07050	38.8
95.04974	10.0
95.08611	43.2
97.02886	3.9
97.06533	8.4
99.04469	3.2
105.07031	32.7
107.08590	22.5
109.06497	5.7
109.10164	10.2
111.08092	31.6
117.07017	3.8
119.04947	3.8
119.08599	51.7
121.06470	8.7
121.10155	37.5
123.08065	23.1
123.11698	5.4
127.03899	3.4
129.07010	3.0
131.08577	12.5
133.06491	11.1
133.10138	28.8
135.08075	12.8
135.11708	28.2
137.09602	6.6
137.13246	11.6
139.03873	4.0
139.08939	3.0
145.04935	2.9
145.10097	4.5
147.04410	10.3
147.08060	10.4
147.11700	27.4
149.09633	17.0
149.80756	2.6
151.07503	11.7
151.11229	3.0
156.09340	7.1
159.08127	5.7
159.11711	2.8
161.09669	4.9
161.13261	79.8
163.11172	9.7
163.14838	4.3
165.09015	2.6
165.12840	3.8
167.32625	2.2
171.11671	5.0
173.13295	10.7
174.10434	7.0
179.14340	4.9
180.85321	2.4
189.12749	100.0
190.13014	3.3
191.14330	51.3
207.13808	94.7
225.11240	3.8
225.14856	12.9
226.79305	2.3
262.96393	2.2
271.39435	2.4
274.76273	2.5
332.87405	2.7
335.71878	2.6
351.18100	6.1
369.19101	3.5
374.28311	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	422.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
55.05518	3.0
57.03435	1.6
61.02930	1.5
67.05514	3.1
67.90007	0.9
69.03442	3.0
69.07079	11.8
70.06573	0.9
71.04973	1.6
71.53884	1.2
79.05489	1.5
81.03433	1.8
81.07058	7.2
82.03630	0.9
82.57025	0.9
83.04996	2.6
83.08636	2.2
84.04536	4.5
85.02913	9.3
85.06583	1.1
91.05474	1.7
93.07063	4.4
95.08617	16.7
97.02903	4.5
97.06554	1.4
99.04462	3.8
101.12399	0.9
105.07014	4.7
107.08598	5.2
109.06574	2.5
109.10181	4.4
111.08100	5.5
115.07562	1.0
119.08583	10.3
121.10171	13.0
123.08085	15.9
127.03927	1.7
133.10127	2.4
135.08047	2.8
135.11678	5.5
137.09666	2.1
137.13251	6.7
145.04993	1.2
147.08058	2.6
147.11691	10.3
149.09653	1.2
151.07574	3.4
151.14810	1.4
153.01837	1.6
154.02156	1.8
161.13275	23.7
165.09203	1.9
165.12845	1.7
167.10753	1.7
171.11601	1.4
174.07646	4.0
179.14349	21.0
180.91263	1.1
183.13762	1.0
189.12758	11.1
207.12256	0.8
207.13826	49.8
225.14885	100.0
226.15254	1.6
243.15959	18.9
361.18768	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.05507	0.9
56.96553	0.3
57.07082	13.6
60.02687	0.3
62.78402	0.3
64.71356	0.3
67.05505	2.6
69.03434	0.4
69.07056	0.6
71.52721	0.3
71.53145	0.3
73.18777	0.3
78.50481	0.3
79.05483	1.2
81.03411	1.1
81.07057	1.0
83.08628	0.5
84.08144	0.3
85.02943	0.3
91.05483	1.4
93.07045	1.0
95.04964	1.0
95.08610	0.6
97.02858	0.3
97.06535	0.3
105.07012	1.0
107.04958	0.4
107.08582	0.6
109.10153	1.0
117.03170	0.3
117.07073	0.3
119.08566	0.9
121.06508	0.3
121.10143	0.4
125.07172	1.6
125.09625	0.3
126.05540	2.0
129.07048	0.4
131.08569	0.9
133.10149	0.5
135.05531	0.3
135.08072	0.3
143.08540	0.4
145.10178	0.2
147.11696	0.4
147.57581	0.3
149.02310	0.8
149.09610	0.3
185.13315	0.3
193.05046	0.9
193.12302	0.5
208.14401	1.3
209.12863	5.8
210.11279	0.6
218.12923	2.7
219.11353	1.2
256.26376	0.4
260.15323	0.5
269.10693	0.5
274.18900	0.3
275.17593	4.2
292.20169	4.2
293.18579	4.3
302.18628	8.5
316.11847	1.0
329.21075	2.0
343.22491	0.3
346.15213	0.5
349.49451	0.3
358.24905	1.2
376.25970	100.0
377.26407	2.1
394.27029	1.7
403.19937	0.3
403.24280	1.5
421.25909	2.9
421.31714	6.2
422.29041	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.3
57.07071	2.1
58.98435	1.0
61.44315	1.1
64.26992	0.9
66.09404	1.0
67.05502	3.0
69.07068	3.4
69.94939	4.7
79.05495	3.4
81.03456	1.2
81.07056	13.4
83.08572	1.5
85.02907	8.0
91.05485	1.1
93.07048	8.0
95.08614	10.0
97.02888	1.3
97.10184	2.2
107.08585	10.5
109.10157	12.6
121.10152	4.9
123.11707	87.4
127.03918	2.3
135.11694	36.4
145.04980	2.9
145.10175	0.9
145.53026	1.1
147.11702	1.0
149.12061	1.2
149.13255	22.3
163.06084	6.3
163.14825	1.1
175.11691	0.9
177.16396	3.7
180.08728	1.8
198.09735	4.2
205.19521	100.0
223.16965	2.6
223.20607	2.1
260.18637	1.1
403.25461	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2586
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
52.60701	1.4
53.03935	5.1
55.01883	8.2
55.02114	1.4
55.05512	22.1
56.96571	1.5
57.03442	11.2
59.04996	2.1
61.02937	3.3
65.03941	2.6
65.86668	1.5
67.05510	52.7
67.05881	2.7
69.03434	4.0
69.07076	10.6
70.58098	4.7
71.04999	3.5
72.80295	1.3
73.02925	2.0
74.77602	1.3
79.05497	34.0
81.03417	14.1
81.07056	33.0
83.04994	4.8
83.08630	13.2
85.02904	3.4
85.06574	2.9
90.15393	1.5
91.03967	2.8
91.05486	40.0
93.07044	32.1
95.04978	55.7
95.08606	27.9
97.02885	3.1
97.06553	6.2
97.10166	10.3
103.05473	1.8
105.03432	2.2
105.07047	21.9
107.04962	25.0
107.08604	13.9
109.02903	2.1
109.06504	7.3
109.10164	23.2
111.08099	4.0
115.05486	2.8
117.07041	13.5
119.04944	1.6
119.08601	22.5
121.06509	22.6
121.10168	8.5
123.08098	8.0
123.11734	2.5
125.09629	11.8
128.06233	3.7
129.07001	12.3
131.04941	3.7
131.08582	16.3
133.06531	6.1
133.10150	12.0
135.08060	9.1
135.11726	2.9
137.09616	8.0
139.11200	3.0
141.07045	5.0
142.07747	3.5
143.08566	8.6
145.06512	5.5
145.10121	11.5
147.08023	10.4
147.11696	5.1
149.09621	6.0
155.08578	4.0
157.06458	3.3
157.10139	10.8
159.08064	4.4
159.11716	8.7
161.09659	6.1
163.11183	10.4
167.08559	3.7
169.10185	3.9
171.08130	2.2
171.11754	4.8
173.09608	2.8
173.11739	4.8
173.13199	2.1
175.11159	9.8
177.12781	3.6
181.10191	1.8
183.11699	3.4
185.09683	5.5
185.11707	1.9
185.13316	3.3
187.11250	5.1
189.09154	6.3
189.11264	5.7
189.12793	1.8
193.12285	8.1
195.11777	3.0
197.13261	2.6
199.11272	4.3
201.12784	3.5
202.92886	1.6
203.10728	9.3
203.12709	3.1
205.12286	5.3
207.13847	2.4
213.12737	1.9
223.13358	5.2
231.13887	3.1
245.15562	1.7
249.14857	8.8
263.16541	1.8
283.20682	2.5
296.04950	1.4
301.21594	7.9
311.20013	15.5
329.21106	82.6
340.15533	10.0
340.65765	3.0
347.22147	17.3
367.22583	2.7
377.23535	2.1
385.23883	5.4
403.19470	1.7
403.24838	65.0
421.17477	9.4
421.25964	100.0
421.68192	2.4
422.26151	2.2
443.21088	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22774	0.6
53.03927	1.0
55.05508	2.5
57.07057	1.7
61.02925	0.9
67.05506	4.8
68.81580	0.7
69.03418	1.3
69.07067	7.7
71.04296	1.6
76.18110	0.7
79.05502	3.6
81.03439	1.2
81.07057	24.4
83.08606	2.4
85.02910	16.2
91.05473	1.4
93.07045	12.7
95.08609	18.3
96.36369	0.8
97.02895	3.8
97.10163	3.5
99.08085	1.1
107.08585	11.9
109.02891	1.9
109.10158	16.3
121.10152	8.0
123.11704	39.4
125.13272	2.7
127.03891	3.2
130.87837	0.8
135.11700	21.0
137.13231	3.2
145.04938	6.4
149.13266	64.9
155.64667	0.7
163.06036	6.2
163.14824	1.9
203.17981	5.3
205.19519	100.0
206.19913	1.0
223.20563	25.6
300.50101	0.8
313.59125	0.7
371.60001	0.7
422.04562	0.7
441.21237	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.1
57.07079	1.7
67.05512	4.6
69.03424	2.2
69.07066	3.4
69.80406	3.4
79.05510	5.0
81.03415	1.8
81.07069	37.1
83.08628	1.0
85.02920	10.3
91.05490	1.9
93.07059	10.5
95.05013	0.9
95.08621	13.8
97.02893	2.9
97.10184	4.3
99.04456	1.2
100.32929	0.7
102.14552	0.7
105.01871	0.9
105.07036	1.6
107.08612	12.9
109.02888	0.9
109.09472	1.4
109.10170	16.5
114.96523	0.7
119.08618	0.7
121.10156	6.0
123.11724	67.3
127.03918	5.5
133.10193	1.0
135.11716	29.8
137.13286	10.5
145.04991	10.3
147.11736	1.8
149.13275	48.5
157.04945	1.1
161.09688	0.8
163.06046	6.4
163.14833	1.7
175.14835	0.9
180.08658	3.7
182.22797	0.7
198.09750	12.3
205.19547	100.0
206.19843	1.0
222.22205	0.8
223.16936	1.4
223.20590	1.8
231.04930	1.7
241.18138	0.9
249.06061	1.7
338.14243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01885	0.3
55.05522	0.4
55.91434	0.3
57.03447	0.4
57.07088	2.0
61.02934	0.6
62.72286	0.3
63.84943	0.3
65.03954	0.4
67.05517	3.2
69.03436	2.3
69.07078	2.9
73.02929	0.6
79.05502	6.6
81.03446	1.6
81.07068	100.0
82.07394	0.5
85.02914	6.4
85.06552	0.4
87.00837	3.5
93.07062	1.0
94.91621	0.3
95.08618	16.4
97.02898	5.6
99.04457	1.0
105.01886	6.3
107.08655	0.4
108.08897	0.3
109.02876	2.1
109.10149	1.5
111.58493	0.3
123.11757	0.4
127.03937	7.2
135.11736	0.6
137.13275	23.2
138.13600	0.4
145.04979	5.5
149.13408	0.5
154.15939	0.7
159.02940	1.8
189.04112	0.3
195.29816	0.3
223.20648	0.6
231.04964	3.1
242.02859	0.4
249.06203	1.3
284.09995	0.8
330.89340	0.4
336.01114	0.3
372.82001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12196	0.7
51.24988	0.8
53.03941	1.2
55.01871	1.7
55.05522	5.8
55.76345	0.7
57.03438	1.8
57.07074	0.7
57.49417	0.6
65.03928	1.6
67.05179	1.2
67.05510	14.4
69.03429	2.6
69.07070	7.6
71.05025	1.4
71.53682	0.9
77.03954	0.7
79.05508	6.7
81.07064	38.3
81.09963	0.6
83.04977	7.5
83.08624	4.7
85.02894	1.5
85.06534	2.5
91.05487	13.3
93.03415	1.9
93.07055	6.9
95.04975	10.1
95.08623	9.5
97.02915	0.9
97.06527	3.0
99.08086	2.7
101.06052	0.7
104.14281	0.7
105.07036	20.9
107.08600	8.8
109.06522	2.8
109.10175	1.7
111.04452	9.0
113.06008	1.4
119.07811	1.4
119.08595	17.2
121.02887	2.8
121.10153	14.4
123.08092	2.1
123.11710	18.6
125.09696	0.8
127.07549	2.8
129.05458	2.0
129.07007	1.3
131.08606	0.9
133.10133	2.3
137.09744	0.7
137.13301	0.9
138.91624	0.8
139.03952	3.6
144.48955	0.8
145.31450	0.7
147.11697	54.7
155.14317	1.5
157.04984	1.3
157.10141	2.0
165.12764	30.5
175.11185	2.6
183.13855	6.3
193.07066	1.3
193.12256	5.8
198.55133	0.9
211.13364	2.0
221.18993	1.1
229.12122	1.2
229.14366	23.0
229.16576	1.6
237.25978	0.7
321.17084	1.1
339.17960	1.2
349.63437	0.7
367.17538	100.0
368.17731	1.4
385.18579	27.9
421.22665	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.05507	0.8
57.03426	0.7
57.07057	0.7
67.05496	1.3
69.03429	5.6
69.07069	2.9
70.06583	1.4
70.40670	2.3
70.41013	0.9
70.87700	0.8
79.05490	2.4
81.03432	1.2
81.07040	1.7
83.04958	1.2
84.04548	0.8
85.02901	3.2
86.09689	1.4
87.04457	1.8
91.05491	6.6
93.07040	11.6
95.05051	0.9
95.08601	2.7
97.02913	4.4
97.06569	0.8
99.04487	0.7
105.07034	21.8
107.04968	1.1
107.08590	14.4
109.06504	0.9
109.10144	3.2
115.03928	4.0
117.07021	2.2
119.08578	9.7
121.02892	1.2
121.06496	2.9
121.10149	7.6
123.04434	1.3
129.07005	1.3
131.08600	5.7
133.04967	3.4
133.10135	3.1
135.08063	1.7
135.11705	21.5
137.05966	1.1
137.09618	1.2
139.03905	4.0
139.07536	2.1
144.09329	4.0
145.04913	1.6
145.10092	0.9
147.08107	1.0
149.06027	3.9
149.13264	26.0
153.09111	2.3
157.10112	0.9
159.11699	39.8
161.13315	4.5
177.05516	1.1
177.12755	100.0
178.13029	0.9
179.10674	1.7
195.13802	11.3
205.08527	1.0
205.12242	21.1
223.09698	2.4
223.13289	17.8
241.10696	1.4
241.14372	0.8
259.11307	1.0
269.91290	0.8
307.05658	1.2
325.07010	1.1
347.08862	1.0
365.10147	1.0
367.11914	1.2
371.27310	0.7
375.08609	1.0
403.08307	3.7
420.15161	0.9
421.09256	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	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51835	1.0
67.05504	1.3
69.03425	3.3
71.04973	1.6
71.53896	2.1
79.05480	1.8
81.07044	3.9
83.04976	3.0
85.02907	9.0
90.64017	1.0
91.05466	1.9
92.05822	1.2
93.07047	20.6
95.08614	7.2
97.02872	3.5
99.04424	1.4
99.08089	4.4
105.06975	1.9
107.08592	10.6
108.58735	1.1
109.10131	2.3
111.08076	9.6
117.06938	1.1
119.08587	5.9
121.06506	2.3
121.10140	6.6
127.03909	1.7
131.08542	1.6
133.10138	5.6
135.07997	3.4
135.11670	13.9
137.09621	57.7
139.03915	2.3
139.07491	2.4
149.13255	9.0
153.12743	1.3
159.11713	9.3
161.09558	1.3
163.03851	1.2
163.11096	1.5
177.12750	72.4
181.12286	1.4
195.13812	100.0
223.13295	59.4
224.13654	1.5
241.14337	54.7
258.17136	1.5
292.89832	1.3
312.12512	1.2
349.99118	1.1
367.11923	2.0
384.27478	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.6
55.05515	20.8
57.03434	7.7
57.07076	5.6
61.02918	6.6
67.05512	35.7
69.03426	15.1
69.06792	3.9
69.07070	47.9
71.04993	8.5
71.08636	5.1
79.05481	18.9
81.03410	4.6
81.07056	100.0
83.04977	4.4
83.08611	13.6
85.02920	27.6
91.05481	18.1
93.07051	43.8
95.04990	6.7
95.08611	95.2
97.06528	9.7
97.10156	13.9
99.08053	5.0
105.07030	55.7
107.08595	44.9
109.06564	4.5
109.10156	79.4
111.08070	13.4
111.11720	13.1
117.07005	7.7
119.08585	46.5
121.10166	38.7
123.08050	6.0
123.11713	25.3
125.09643	4.9
127.03949	6.9
131.08603	8.6
133.10135	30.2
135.11673	19.6
137.09608	4.7
137.13242	16.4
139.11162	5.2
141.09146	4.1
145.10112	12.2
147.11668	43.4
149.13290	8.6
150.54060	4.4
154.08810	4.2
161.13251	18.9
163.14857	21.8
163.57275	4.6
165.12737	7.7
175.14833	13.4
191.17966	8.9
198.45929	3.9
203.17955	89.0
204.18207	5.9
221.18967	42.9
239.20172	22.0
247.20445	4.4
248.41751	4.5
257.21024	6.9
258.18900	4.5
295.87085	4.3
419.28156	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	420.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87057	2.9
57.03426	13.8
67.25597	3.2
67.37304	3.2
69.03084	4.7
69.03433	64.2
69.43370	20.8
85.02912	50.2
87.04467	54.7
91.05492	74.4
97.02297	4.8
97.02897	69.1
99.45628	3.1
105.07033	4.0
107.04943	10.1
109.73783	3.2
115.03929	76.5
127.03915	6.3
133.04971	100.0
133.06490	5.2
139.03920	5.1
145.04956	14.4
150.07619	13.4
175.07414	4.2
179.10704	3.8
223.09692	10.2
259.08176	5.8
295.10474	4.6
299.45053	3.4
399.59839	3.4
404.24640	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	419.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42672	2.6
53.03938	4.0
54.55363	2.2
54.68412	2.4
55.05501	8.5
57.79262	2.8
67.05499	15.6
69.03423	3.0
69.07066	5.1
69.17208	24.4
79.05489	35.5
81.07059	100.0
83.04974	3.8
91.05479	18.6
93.07051	22.1
95.04955	7.9
95.08613	15.6
96.85813	2.8
97.06467	2.9
98.20812	5.8
105.07053	24.6
107.08585	13.5
109.06517	5.9
109.10160	8.0
117.07034	6.5
117.35420	2.7
119.08592	25.7
121.06505	5.2
121.10123	4.7
123.08039	4.2
128.06242	5.7
129.06990	10.1
131.08597	18.0
133.06485	3.1
133.10167	13.1
135.08049	8.4
135.11729	4.2
140.70662	3.1
141.06995	4.2
142.07782	5.6
143.08560	18.1
145.06453	4.5
145.10107	15.7
147.07997	7.3
147.11678	6.8
153.07059	4.0
155.08533	9.9
156.09349	6.3
157.10135	21.2
158.10832	2.9
159.08061	6.0
159.11748	15.0
161.09665	7.1
161.13232	4.8
169.10127	13.4
171.11641	15.8
173.09656	6.8
173.13271	8.1
179.08516	3.8
181.10094	4.7
182.10930	4.5
183.11694	12.0
185.09610	3.6
185.13289	8.8
187.11115	4.3
189.12840	3.8
197.13315	17.5
199.11179	8.5
199.14780	8.4
201.12735	7.5
201.16464	3.5
207.11646	4.2
209.13438	2.7
211.11192	4.0
211.14778	4.5
213.12688	3.8
215.14299	3.2
223.14926	6.4
225.12894	4.7
226.13481	4.5
237.16382	3.4
241.15846	3.2
253.19458	6.9
255.17538	2.9
263.18079	3.3
271.20505	5.2
281.19025	15.2
291.97305	3.1
299.20148	20.9
341.21152	18.7
359.22165	10.5
433.58881	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01878	2.6
55.05505	5.9
60.07530	2.1
65.80409	2.1
67.05500	8.0
69.03424	4.9
69.07067	8.5
69.90950	9.3
71.04986	10.4
71.08624	3.9
79.05499	11.9
81.03427	2.9
81.07064	60.1
83.08599	4.5
85.02924	12.1
91.05485	6.5
93.07063	17.8
95.04961	4.5
95.08616	24.2
97.02894	3.7
97.06535	2.4
98.64486	2.5
105.07043	16.6
107.08598	33.9
109.02931	2.5
109.10163	19.4
117.07056	2.1
119.08591	24.6
121.10168	8.6
123.04406	3.2
123.11735	18.0
125.09692	2.9
127.03912	2.8
127.11224	15.3
133.10144	24.1
135.11700	63.6
137.13306	3.2
139.03922	17.7
143.10715	11.3
143.58087	2.1
147.11694	17.2
149.13309	3.5
151.03925	2.6
151.11221	2.4
153.05493	3.1
161.12190	2.3
161.13226	12.6
165.12891	2.8
175.07562	2.4
185.04253	4.6
201.09155	3.4
203.17976	39.3
204.18301	4.0
207.08244	2.5
219.10181	5.4
221.03267	2.4
221.19035	44.5
239.20047	5.0
255.06606	8.4
256.07080	4.8
257.07611	25.1
257.21112	4.4
419.13147	100.0
420.13342	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	419.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.05505	7.3
57.07063	2.8
67.05513	12.8
67.65696	2.0
69.07069	3.8
69.36140	9.8
69.36543	3.5
71.04979	2.1
72.66142	1.7
79.05489	18.0
81.06591	3.3
81.07057	45.4
83.04992	3.2
91.05490	16.3
93.07046	18.6
95.04957	11.0
95.08607	13.6
97.06519	7.2
99.04436	3.3
105.07037	22.1
107.08608	12.0
109.04646	2.2
109.06519	8.0
109.10133	6.1
111.08069	2.1
113.05982	3.0
115.01754	1.5
115.05438	3.2
117.07010	6.9
119.08583	18.8
121.06506	8.0
121.10196	8.9
123.08070	5.9
123.11732	2.4
128.06201	4.5
129.07027	10.0
131.08585	19.9
133.06436	3.1
133.10152	11.6
135.08078	7.6
135.11682	3.5
137.05986	2.0
137.13268	2.2
141.06985	4.6
142.07770	8.0
143.08577	23.1
144.09320	2.5
145.06500	3.1
145.10126	14.8
147.08038	6.6
147.11670	8.5
149.09613	5.2
153.06984	2.0
153.09125	2.2
155.08600	12.2
156.09285	5.1
157.10141	18.1
159.08061	4.4
159.11710	11.5
161.09625	5.0
161.13235	3.9
165.09145	1.8
165.12735	2.2
166.07787	2.0
167.08575	3.5
168.09393	3.6
169.10132	12.4
171.08089	3.0
171.11682	12.4
173.09602	5.6
173.13316	5.7
175.11188	4.5
181.10129	5.4
182.10919	4.4
183.11703	15.3
185.09700	4.6
185.13358	11.6
187.11221	4.4
187.14774	3.9
189.12733	2.3
195.11723	5.5
197.09586	1.9
197.13289	19.1
198.14026	2.4
199.11182	6.9
199.14833	8.7
201.12689	3.8
207.11617	2.9
208.12613	1.8
209.13260	4.2
211.11169	6.1
211.14789	3.8
213.12746	2.9
213.16345	3.7
215.14301	4.4
221.13335	2.3
225.12807	9.9
225.16254	2.5
226.13509	12.9
227.14384	2.9
229.95584	2.1
231.11929	1.9
239.14154	4.0
239.17932	4.7
241.15869	2.9
243.13969	2.2
243.17426	2.3
253.19545	7.5
255.17438	2.2
263.18008	2.8
271.20578	9.0
281.19006	21.5
299.20078	34.8
317.21115	5.2
341.21136	8.1
359.22174	100.0
410.38870	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.9
53.79269	3.3
55.01868	12.4
55.05500	11.9
57.03440	6.9
57.07070	9.5
57.20789	3.2
57.44916	3.0
61.02925	4.2
62.61217	3.2
65.03941	4.1
67.05512	18.2
68.99804	4.6
69.03436	31.5
69.07074	22.1
69.48765	3.1
71.05005	21.0
73.06567	4.3
76.43595	2.9
79.05498	20.7
81.03414	14.5
81.07066	62.1
83.04973	11.0
83.08624	7.7
85.02914	61.4
85.06545	6.7
87.00845	20.3
91.05494	21.0
93.07053	49.9
95.04980	7.8
95.08613	65.0
97.02884	24.6
97.06518	9.7
97.10152	5.3
99.04459	5.6
99.08070	4.3
103.03926	4.4
103.05453	5.2
103.74281	3.3
105.01864	16.3
105.07033	34.5
107.08605	53.0
109.02884	14.6
109.06525	8.9
109.10176	37.2
111.04391	3.6
111.08081	7.9
115.03945	7.8
119.04906	6.6
119.08593	42.7
119.79214	3.7
121.06482	5.2
121.10175	24.3
123.04410	17.6
123.11694	14.8
125.06008	4.6
127.03954	25.5
128.06287	4.4
129.07030	7.1
131.04895	4.8
131.08568	6.0
133.10152	20.9
135.04388	3.8
135.11691	33.6
137.02338	44.3
137.13271	15.3
139.03903	10.1
143.08539	4.4
145.04965	8.2
145.10120	13.4
147.04416	26.4
147.08092	4.6
147.11674	33.9
149.13286	5.4
151.11223	6.8
153.12747	78.3
159.02928	7.7
159.11673	5.1
161.13292	8.0
163.03954	5.8
163.11166	3.9
163.14851	4.4
165.12700	8.3
167.07037	8.1
171.13820	16.8
177.12770	7.9
189.12735	3.8
191.10696	7.1
203.17964	100.0
204.18338	5.0
212.16707	3.5
221.19041	17.9
239.20036	9.5
257.08102	83.7
271.06091	6.2
287.05530	24.8
287.08786	7.3
347.15195	4.0
365.16254	4.5
383.16461	6.4
419.16055	4.7
419.20728	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	419.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.9
53.79269	3.3
55.01868	12.4
55.05500	11.9
57.03440	6.9
57.07070	9.5
57.20789	3.2
57.44916	3.0
61.02925	4.2
62.61217	3.2
65.03941	4.1
67.05512	18.2
68.99804	4.6
69.03436	31.5
69.07074	22.1
69.48765	3.1
71.05005	21.0
73.06567	4.3
76.43595	2.9
79.05498	20.7
81.03414	14.5
81.07066	62.1
83.04973	11.0
83.08624	7.7
85.02914	61.4
85.06545	6.7
87.00845	20.3
91.05494	21.0
93.07053	49.9
95.04980	7.8
95.08613	65.0
97.02884	24.6
97.06518	9.7
97.10152	5.3
99.04459	5.6
99.08070	4.3
103.03926	4.4
103.05453	5.2
103.74281	3.3
105.01864	16.3
105.07033	34.5
107.08605	53.0
109.02884	14.6
109.06525	8.9
109.10176	37.2
111.04391	3.6
111.08081	7.9
115.03945	7.8
119.04906	6.6
119.08593	42.7
119.79214	3.7
121.06482	5.2
121.10175	24.3
123.04410	17.6
123.11694	14.8
125.06008	4.6
127.03954	25.5
128.06287	4.4
129.07030	7.1
131.04895	4.8
131.08568	6.0
133.10152	20.9
135.04388	3.8
135.11691	33.6
137.02338	44.3
137.13271	15.3
139.03903	10.1
143.08539	4.4
145.04965	8.2
145.10120	13.4
147.04416	26.4
147.08092	4.6
147.11674	33.9
149.13286	5.4
151.11223	6.8
153.12747	78.3
159.02928	7.7
159.11673	5.1
161.13292	8.0
163.03954	5.8
163.11166	3.9
163.14851	4.4
165.12700	8.3
167.07037	8.1
171.13820	16.8
177.12770	7.9
189.12735	3.8
191.10696	7.1
203.17964	100.0
204.18338	5.0
212.16707	3.5
221.19041	17.9
239.20036	9.5
257.08102	83.7
271.06091	6.2
287.05530	24.8
287.08786	7.3
347.15195	4.0
365.16254	4.5
383.16461	6.4
419.16055	4.7
419.20728	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	419.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01878	8.5
55.05507	9.1
57.03429	8.4
57.07077	24.6
59.04999	3.5
61.02911	3.0
67.05507	6.3
68.99788	5.4
69.03434	32.5
69.07068	8.4
71.01360	2.0
71.04999	26.7
71.53114	2.9
73.02910	5.1
73.06541	2.7
79.05489	8.9
81.03426	26.0
81.07050	24.0
82.30761	3.2
83.04996	3.1
85.02911	58.2
85.06570	10.8
87.00838	23.2
91.05472	12.2
93.07048	35.5
95.04973	5.7
95.08617	17.9
97.02905	23.5
97.06548	13.2
99.04449	8.2
105.01880	15.2
105.07024	19.5
106.07355	5.3
107.04958	4.8
107.08617	28.4
109.02871	14.1
109.06544	8.8
109.10165	12.0
111.08083	4.4
115.03938	8.9
117.07041	5.7
119.04951	2.5
119.08600	24.1
121.06496	4.7
121.10124	7.7
123.04456	4.4
123.08131	3.4
127.03912	25.5
127.07516	3.4
129.01825	3.3
131.08571	9.8
133.06453	6.3
133.10138	6.0
134.06815	3.7
135.04442	2.7
135.11710	24.1
137.13260	8.4
139.03909	10.1
143.08574	9.1
145.05002	8.2
145.06496	3.5
145.10121	12.8
147.08070	9.9
147.11703	6.6
149.05978	3.5
149.09570	3.4
151.03938	2.2
151.11253	3.8
153.12755	100.0
155.08575	3.4
158.07239	2.4
159.02928	7.7
159.08084	5.0
159.11705	3.8
161.06017	7.0
162.06317	6.4
163.03896	13.0
163.11227	4.9
165.12816	14.0
167.07027	5.6
171.08076	5.4
171.13824	9.7
173.09653	14.5
173.13301	2.7
175.07613	4.7
175.11191	2.8
177.12744	7.3
183.08130	3.2
187.11169	2.2
189.12785	4.2
191.10686	7.5
191.17934	3.2
193.08636	6.5
194.09012	5.7
201.03908	5.8
201.09111	2.9
207.13860	2.7
209.11771	4.3
212.17261	3.2
215.14395	2.7
219.04865	2.7
219.13916	2.5
231.05048	8.5
243.13846	11.6
249.11200	3.1
261.14859	11.3
279.15897	3.0
287.05560	29.9
315.08780	3.6
329.79343	2.7
330.11081	4.3
347.14914	6.7
351.12408	2.6
365.15955	9.5
383.17160	5.6
401.15588	2.6
403.82330	2.6
416.34207	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	419.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.01864	3.6
55.05504	5.2
56.05059	1.2
57.03436	2.2
57.07065	1.4
61.02922	1.5
65.03925	1.6
67.05505	3.4
67.13499	1.0
68.99800	6.3
69.03429	2.8
69.07060	2.6
69.65372	6.2
70.06583	2.7
71.04993	1.8
73.02896	1.6
73.09283	1.1
79.05498	6.1
81.03425	3.3
81.07057	7.8
83.04968	4.3
84.04501	2.5
84.08111	1.1
85.02923	7.9
91.05479	9.6
93.07055	6.2
95.04962	5.5
95.08585	3.3
97.02895	3.3
97.06519	5.1
98.21488	2.0
99.04443	1.9
99.08122	1.0
101.02370	1.8
103.05457	2.1
105.07034	8.3
107.04963	5.6
107.08578	4.2
109.02869	2.8
109.06508	5.3
111.00813	2.8
111.04450	4.4
111.08086	2.1
115.05436	3.2
116.07084	1.2
117.07011	3.7
119.04921	2.8
119.08611	2.7
120.08099	2.3
121.02872	1.6
121.06537	7.9
121.10141	2.5
123.04420	10.1
123.08146	1.9
127.03919	5.6
128.06229	4.5
129.07014	5.2
131.04932	3.2
131.08569	8.0
133.06473	3.1
133.10133	1.9
135.04443	3.5
135.08098	2.5
136.07588	1.6
137.05939	2.1
139.03902	100.0
141.07050	2.7
142.07773	1.6
143.08577	1.4
144.05667	2.6
145.04909	1.3
145.06483	3.6
145.10092	1.9
147.04414	5.3
147.08064	2.9
147.11681	2.1
149.02390	2.2
149.05984	18.1
151.03896	12.6
151.11105	1.4
151.41530	1.1
153.01816	1.9
153.07025	1.4
153.12726	2.8
155.08612	2.0
155.14282	2.2
157.06476	3.2
157.10141	3.1
159.04362	1.9
159.08061	5.4
160.05217	6.0
161.06007	4.4
161.09650	6.6
163.03903	17.7
163.07602	1.4
163.11197	1.5
165.05513	3.4
167.07068	1.5
169.04950	3.4
169.12253	2.9
171.08083	2.3
171.13928	1.2
173.05975	2.2
175.03909	2.1
175.07603	3.0
175.11169	2.0
177.05481	5.8
177.09109	5.1
179.03358	2.4
185.06012	3.0
185.09624	3.5
187.07552	2.2
187.11194	1.4
189.05457	4.4
189.09087	5.8
191.03397	9.6
191.05478	6.6
191.10609	2.9
193.12241	1.9
199.07649	1.2
201.05579	2.0
201.09070	2.1
203.07014	2.3
203.10733	1.5
205.08585	7.0
211.07516	1.5
211.13239	2.7
213.05620	1.5
213.09076	2.5
215.03430	1.4
215.07101	2.3
217.04820	1.7
217.08745	1.5
217.12254	3.2
219.10149	34.5
223.09526	1.1
225.03514	1.2
227.10539	1.3
229.04959	3.2
229.08559	1.8
231.06581	2.7
231.10170	2.4
233.08098	13.5
235.13275	1.5
241.04863	1.6
241.12250	1.3
243.06508	1.2
245.08040	1.8
245.13818	1.3
247.05878	1.3
255.06461	2.1
256.06998	1.7
259.06052	1.7
269.08112	2.3
279.06573	1.3
281.11801	1.7
293.11661	1.7
309.11182	4.5
311.12662	6.2
313.14429	1.2
315.08627	2.2
321.11203	2.5
327.12204	4.3
330.11230	1.5
337.10712	6.7
337.29126	1.3
339.12259	4.4
341.16351	1.3
355.11856	6.3
357.13388	5.6
365.10251	1.5
373.12616	2.1
383.11285	16.2
383.15759	2.2
401.12207	3.8
419.11172	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	419.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01869	3.1
55.05503	3.2
57.03424	1.2
65.03928	2.7
67.05492	3.7
68.99771	4.6
69.00110	1.2
69.03423	2.2
69.07047	3.5
71.04987	1.2
71.53996	1.8
72.08145	1.5
79.05484	4.3
81.03399	2.7
81.07059	9.1
83.04972	3.7
84.08110	1.1
85.02885	5.3
85.06542	1.5
87.63998	1.2
91.05480	8.1
93.07034	4.4
95.04965	4.6
95.08590	3.4
96.25027	1.3
97.02875	4.6
97.06512	3.5
98.00597	1.2
100.11241	1.4
103.05418	1.6
105.03386	2.4
105.07018	5.3
107.04951	4.1
107.08585	2.7
109.06485	3.8
109.10160	2.0
111.00765	2.6
111.04429	3.3
115.05474	2.5
115.25523	1.2
116.06241	2.3
117.06997	3.3
119.04951	2.9
119.08604	1.9
121.02882	1.8
121.06505	2.9
121.10133	2.8
123.04423	10.9
123.08038	1.4
127.03902	6.6
128.06241	2.7
129.06998	5.0
131.04910	2.4
131.08611	6.7
133.06480	2.7
133.10143	2.0
135.04402	2.8
135.08075	2.5
135.11682	3.5
136.08391	2.1
137.02312	1.7
137.05933	3.2
139.03906	100.0
141.06960	1.6
142.07765	1.4
143.08624	1.9
145.06508	4.8
145.10135	1.4
147.04401	3.9
147.08090	1.4
149.02293	2.5
149.05984	4.4
151.03902	12.5
153.01813	3.3
153.12689	1.4
155.08577	1.6
157.06544	2.3
157.10126	2.5
159.08049	4.4
160.05214	1.2
161.06029	2.4
161.09599	4.2
163.03918	14.2
163.14838	1.4
165.05470	3.6
165.06894	1.6
167.07050	1.3
167.08459	1.5
169.04985	3.4
171.04485	1.4
171.08072	1.9
173.05930	2.1
175.03889	3.4
175.07538	2.0
175.11092	1.3
176.11401	1.8
177.05489	2.3
177.09071	3.2
179.03336	2.8
183.07997	2.0
185.05960	2.8
185.09584	5.2
187.07478	1.9
187.11208	1.8
189.05489	2.6
189.09073	2.3
191.03279	6.2
191.07039	2.4
191.10648	1.6
194.12592	2.6
201.05481	3.2
201.09087	3.5
203.03418	1.5
203.07047	2.5
203.17964	1.3
205.08673	5.7
211.07527	1.4
213.05423	2.9
213.09187	3.2
215.07047	1.7
217.08533	1.3
219.10167	7.7
221.11748	2.1
221.19046	1.8
222.12201	6.0
222.14023	1.6
222.73383	1.3
227.07080	1.6
227.10759	1.6
228.04089	1.4
229.04877	4.5
229.08531	3.4
231.06523	2.4
233.08051	11.0
239.07042	2.4
239.20114	2.0
240.13051	1.6
242.49039	1.3
245.08159	3.3
247.05975	1.4
249.11156	1.2
257.04443	1.3
257.08121	5.1
263.09097	2.6
269.08109	3.4
275.05490	1.7
277.06940	2.1
281.11807	1.7
283.13211	1.9
285.07605	1.6
303.04990	3.0
309.11191	2.8
311.12805	4.2
314.08655	1.5
327.12222	4.2
337.10660	6.3
339.12158	4.5
355.11969	7.1
357.13287	2.0
365.10202	4.2
373.12778	2.7
383.11429	9.9
401.12201	5.2
419.12939	2.7
419.22424	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	419.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01869	3.1
55.05503	3.2
57.03424	1.2
65.03928	2.7
67.05492	3.7
68.99771	4.6
69.00110	1.2
69.03423	2.2
69.07047	3.5
71.04987	1.2
71.53996	1.8
72.08145	1.5
79.05484	4.3
81.03399	2.7
81.07059	9.1
83.04972	3.7
84.08110	1.1
85.02885	5.3
85.06542	1.5
87.63998	1.2
91.05480	8.1
93.07034	4.4
95.04965	4.6
95.08590	3.4
96.25027	1.3
97.02875	4.6
97.06512	3.5
98.00597	1.2
100.11241	1.4
103.05418	1.6
105.03386	2.4
105.07018	5.3
107.04951	4.1
107.08585	2.7
109.06485	3.8
109.10160	2.0
111.00765	2.6
111.04429	3.3
115.05474	2.5
115.25523	1.2
116.06241	2.3
117.06997	3.3
119.04951	2.9
119.08604	1.9
121.02882	1.8
121.06505	2.9
121.10133	2.8
123.04423	10.9
123.08038	1.4
127.03902	6.6
128.06241	2.7
129.06998	5.0
131.04910	2.4
131.08611	6.7
133.06480	2.7
133.10143	2.0
135.04402	2.8
135.08075	2.5
135.11682	3.5
136.08391	2.1
137.02312	1.7
137.05933	3.2
139.03906	100.0
141.06960	1.6
142.07765	1.4
143.08624	1.9
145.06508	4.8
145.10135	1.4
147.04401	3.9
147.08090	1.4
149.02293	2.5
149.05984	4.4
151.03902	12.5
153.01813	3.3
153.12689	1.4
155.08577	1.6
157.06544	2.3
157.10126	2.5
159.08049	4.4
160.05214	1.2
161.06029	2.4
161.09599	4.2
163.03918	14.2
163.14838	1.4
165.05470	3.6
165.06894	1.6
167.07050	1.3
167.08459	1.5
169.04985	3.4
171.04485	1.4
171.08072	1.9
173.05930	2.1
175.03889	3.4
175.07538	2.0
175.11092	1.3
176.11401	1.8
177.05489	2.3
177.09071	3.2
179.03336	2.8
183.07997	2.0
185.05960	2.8
185.09584	5.2
187.07478	1.9
187.11208	1.8
189.05489	2.6
189.09073	2.3
191.03279	6.2
191.07039	2.4
191.10648	1.6
194.12592	2.6
201.05481	3.2
201.09087	3.5
203.03418	1.5
203.07047	2.5
203.17964	1.3
205.08673	5.7
211.07527	1.4
213.05423	2.9
213.09187	3.2
215.07047	1.7
217.08533	1.3
219.10167	7.7
221.11748	2.1
221.19046	1.8
222.12201	6.0
222.14023	1.6
222.73383	1.3
227.07080	1.6
227.10759	1.6
228.04089	1.4
229.04877	4.5
229.08531	3.4
231.06523	2.4
233.08051	11.0
239.07042	2.4
239.20114	2.0
240.13051	1.6
242.49039	1.3
245.08159	3.3
247.05975	1.4
249.11156	1.2
257.04443	1.3
257.08121	5.1
263.09097	2.6
269.08109	3.4
275.05490	1.7
277.06940	2.1
281.11807	1.7
283.13211	1.9
285.07605	1.6
303.04990	3.0
309.11191	2.8
311.12805	4.2
314.08655	1.5
327.12222	4.2
337.10660	6.3
339.12158	4.5
355.11969	7.1
357.13287	2.0
365.10202	4.2
373.12778	2.7
383.11429	9.9
401.12201	5.2
419.12939	2.7
419.22424	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	419.0977
Annotation	Juglanin
Peak:m/z	Relative Intensity
55.05504	0.2
57.03437	0.2
57.07047	0.2
67.01842	0.4
67.05490	0.3
68.99780	0.2
69.03396	0.2
69.89246	0.5
73.02908	0.3
74.48985	0.1
79.05475	0.2
81.07034	0.6
83.08588	0.2
85.02877	0.6
85.06492	0.2
87.00823	0.2
91.05470	0.4
93.07016	0.5
95.08585	0.5
97.02866	0.4
105.06982	0.3
107.04940	0.3
107.08583	0.4
109.02848	0.2
109.10152	0.3
119.08568	0.4
121.10107	0.2
127.03895	0.2
129.01855	0.2
133.10135	0.3
135.04401	1.4
135.11705	0.2
137.02303	0.5
137.13141	0.2
147.11630	0.2
153.01833	4.7
153.12743	0.7
161.02299	0.5
169.07655	0.2
171.02878	0.4
171.13789	0.3
179.03423	0.3
203.17987	0.5
241.04997	0.7
257.08148	0.2
269.04449	0.4
287.05502	100.0
288.05829	1.0
337.36426	0.2
383.24753	0.2
385.11511	0.2
419.09729	24.3
420.10327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96583	2.2
70.06584	0.4
70.27738	1.4
73.06564	1.2
79.05495	0.6
84.96036	0.4
86.00690	0.4
91.05484	1.1
93.07077	1.2
95.04994	0.4
98.97592	1.6
103.05482	6.5
107.04964	1.8
119.04945	0.5
120.08121	100.0
121.08482	1.1
124.99174	0.4
131.04941	2.7
131.90202	0.3
143.00200	0.6
147.04449	1.8
149.06001	1.5
163.03967	0.8
166.08664	53.2
177.00659	0.3
190.96880	0.3
219.01715	0.7
237.02859	0.7
239.02307	1.5
257.03229	0.5
267.82526	0.4
400.24368	0.3
413.07410	0.5
418.18033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.13744	0.9
56.96566	1.2
57.22805	0.9
61.73143	0.9
62.06079	1.2
69.03419	2.6
70.06598	1.2
70.42341	3.3
74.48191	0.8
75.16746	0.9
81.03397	1.0
84.08147	6.8
85.02908	8.5
85.08482	1.5
86.09705	2.1
89.06032	65.8
91.05484	1.4
97.02874	1.6
107.04933	1.6
119.04967	2.7
121.06448	1.2
123.04416	1.3
127.12302	2.2
128.12636	1.7
133.08609	29.4
133.09641	1.6
135.83173	0.8
145.04987	1.2
146.11725	1.7
147.04367	5.9
147.16025	1.1
148.04767	0.9
151.09631	2.8
177.11212	4.3
192.85951	0.8
195.12325	1.1
197.31227	1.0
221.08080	1.0
237.02803	0.8
239.14896	100.0
252.46446	0.9
389.57501	0.9
418.16269	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74253	0.7
55.05507	1.3
56.66890	0.5
67.05511	4.9
69.03416	2.6
69.07063	1.9
69.58932	2.3
69.59333	1.5
79.05496	1.4
81.07052	10.4
83.08627	1.0
85.02908	11.3
91.05467	4.2
93.07061	6.8
95.08614	24.1
97.02899	2.1
97.06519	0.9
97.10164	1.5
105.07031	11.7
107.08590	8.1
109.02861	1.1
109.10165	22.2
119.06189	0.7
119.08585	28.0
121.10139	6.3
121.46432	0.5
123.11710	15.2
127.03922	2.5
131.08583	0.9
133.10141	9.0
135.11722	3.6
145.04965	3.9
145.10143	1.2
147.11687	20.0
148.12036	0.8
149.13240	0.9
159.11594	0.7
161.13245	5.3
163.06032	3.3
168.85834	0.6
175.14854	1.6
198.48051	0.6
203.17969	100.0
204.18214	1.1
221.19026	11.3
221.21112	1.1
239.20299	0.7
240.77153	0.6
278.71661	0.7
284.06357	2.7
296.06384	1.1
310.07898	0.7
314.07437	2.6
321.66635	0.7
336.09442	0.7
338.07379	1.9
347.22070	1.3
364.08817	3.2
365.23077	1.7
382.09961	6.1
407.11584	0.7
418.12064	1.1
418.27826	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0975
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
50.56795	0.2
55.07401	0.2
57.03428	0.8
61.02937	1.6
68.99776	0.6
69.03413	0.4
70.00550	0.8
71.01340	0.5
73.02927	13.7
79.94122	0.2
82.25703	0.2
85.02899	0.7
97.02838	0.2
105.03424	0.3
111.00830	0.6
115.03928	1.2
121.02881	2.2
128.91054	0.2
133.02867	0.5
137.02324	0.7
137.78378	0.3
139.03934	0.3
145.06468	0.3
147.04414	0.8
153.01837	3.2
157.06464	0.5
165.01854	1.6
183.02899	0.7
213.05478	1.2
215.13930	0.3
226.84801	0.3
231.06570	0.5
241.04857	1.1
258.05319	1.0
259.06058	0.5
274.62158	0.3
287.05527	100.0
288.05820	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	418.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.1
55.01861	6.2
55.05524	7.0
58.67189	3.0
60.95109	3.1
65.03940	4.1
67.05505	23.3
69.03422	10.0
69.07062	12.5
69.46614	14.3
69.47041	11.6
70.99262	3.6
71.05003	25.1
77.44807	3.6
79.05497	15.0
81.03425	4.6
81.07063	49.6
83.05000	16.0
85.02898	10.0
85.06557	21.5
87.04454	2.9
91.05474	18.7
93.07063	36.3
95.04984	34.6
95.08639	16.7
97.06547	23.3
99.04455	14.3
105.07047	56.3
107.05002	4.2
107.08609	30.7
109.06523	33.8
109.10159	12.2
111.04459	3.4
111.08111	12.2
113.06065	6.2
117.06995	7.9
119.08592	29.8
121.06528	12.8
121.10172	30.8
123.04482	15.7
123.11732	5.7
125.06024	29.4
127.07566	33.9
129.07024	5.4
130.07797	4.4
131.08557	20.3
133.04939	7.4
133.06549	6.7
133.10136	19.6
134.10472	5.4
135.08026	6.9
135.11687	12.4
137.06001	34.0
140.04218	3.1
143.07056	32.6
143.08566	8.6
144.09366	4.4
145.04924	4.0
145.06497	3.6
145.10152	72.6
146.10464	3.5
147.11713	18.7
149.09621	7.5
150.47736	3.9
151.07542	10.1
153.05437	7.8
155.07100	4.2
159.08182	3.6
159.11703	34.4
161.13258	5.7
163.07607	4.5
163.11215	31.4
167.07130	4.7
169.10135	7.1
173.09653	33.4
177.12787	5.2
181.12270	9.8
187.09541	4.8
187.11212	71.2
191.10684	38.4
203.17961	38.2
205.12254	54.4
209.11739	29.3
215.10710	52.9
220.17900	4.9
221.19048	12.5
223.13406	5.8
233.11766	62.1
251.12843	100.0
269.13849	36.0
328.44177	4.2
337.16489	3.6
347.14874	5.3
365.15814	8.1
383.16809	9.6
401.18106	40.7
418.21301	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	418.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01884	6.3
67.05500	6.7
67.63964	3.1
69.03445	7.0
69.07072	13.3
69.64117	20.5
71.04998	11.8
77.78608	3.4
79.05516	28.3
81.07069	32.2
83.04985	36.5
85.02913	9.5
87.04470	6.5
91.05491	13.0
91.18728	3.1
93.07062	41.1
95.04977	21.2
95.08617	14.3
97.02888	7.0
97.06535	24.4
99.04465	9.8
105.07042	54.5
107.04954	19.0
107.08628	27.1
109.06554	16.3
109.10146	5.7
111.08057	6.5
115.05437	4.3
117.07037	10.6
119.04948	7.1
119.08611	11.2
121.06529	30.2
121.10148	7.1
123.04450	5.9
125.06021	32.1
127.07584	6.0
129.05527	8.5
129.07007	7.0
131.04913	4.8
131.08554	12.2
132.25905	3.1
133.04974	12.9
133.06506	12.0
133.10138	11.5
134.19576	3.3
135.04395	4.3
135.08063	9.0
135.11713	20.5
137.05992	13.3
139.07553	4.9
143.07088	15.3
143.08553	9.2
145.06500	12.1
145.10146	85.3
145.11304	4.7
147.06636	4.5
147.11702	10.1
151.07539	8.1
153.12769	38.5
157.04985	57.7
158.07343	4.6
159.08037	9.9
159.11711	32.5
161.09674	5.1
163.07608	3.3
163.11206	100.0
167.07034	23.4
168.07439	14.1
169.10156	9.5
172.08884	4.6
173.09653	44.1
175.06018	49.2
179.08647	3.7
181.04993	8.9
181.12244	7.9
182.05339	7.1
182.07404	3.5
187.11218	58.4
191.10683	52.4
197.09555	17.9
205.12231	17.8
209.11656	21.5
211.09683	6.7
215.10703	65.7
227.12889	8.2
233.11751	71.3
251.12778	32.0
253.10756	3.8
287.05429	20.4
319.15543	7.2
329.13852	11.5
337.16400	5.7
347.14941	29.7
365.16177	18.0
366.99673	3.6
383.17050	11.1
388.14795	4.6
418.15662	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	418.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88074	2.8
52.58241	3.5
53.03949	4.6
55.01864	4.5
55.05517	4.0
58.81012	3.2
59.04987	4.5
64.68980	3.2
65.03935	7.3
67.05492	10.8
69.03429	8.8
69.07061	14.1
69.45030	25.9
70.06577	4.0
71.04993	16.7
71.05328	2.9
71.77014	3.0
76.13880	3.2
79.05483	25.8
81.07059	33.1
83.04989	36.9
85.02934	8.1
85.06577	4.2
85.80352	3.0
87.04472	9.1
87.05000	2.9
91.05495	22.3
93.06564	3.8
93.07060	41.9
95.04983	19.0
95.08592	14.7
97.02872	7.2
97.06544	25.4
99.04454	13.7
99.08064	3.6
103.05442	5.6
105.07040	58.5
107.04951	20.1
107.08623	27.1
109.06515	17.2
109.10189	5.3
111.08109	4.5
117.07018	11.3
119.04971	8.6
119.08573	15.4
121.06525	27.3
121.10160	10.4
125.06024	26.6
127.03873	3.6
129.05499	7.4
129.06992	5.5
130.07828	3.8
131.08546	16.1
133.04971	11.9
133.06517	10.1
133.10083	6.5
135.04453	3.5
135.08052	8.2
135.11696	25.1
137.05984	15.3
139.07539	7.9
143.07051	18.8
143.08575	6.6
145.06442	11.0
145.10129	68.9
147.08052	4.6
147.11664	12.8
149.09596	3.9
151.07556	5.7
153.12755	63.8
155.08522	3.7
157.04976	54.0
158.07239	5.5
159.08109	9.7
159.11690	37.9
163.07607	3.8
163.11182	100.0
167.07065	33.3
168.07365	25.7
169.10158	9.9
171.08163	3.3
171.11688	3.8
173.05937	5.1
173.09619	45.3
174.06334	3.5
175.06030	46.0
177.12831	5.0
179.08559	4.8
181.04980	16.9
181.12238	9.1
182.05344	6.6
187.11191	44.2
189.12802	5.5
191.06999	4.6
191.10695	41.6
192.07411	4.9
197.09630	16.9
203.18115	3.5
205.12238	23.3
209.11812	19.7
211.09709	4.9
211.78091	3.5
215.10677	60.8
221.18796	4.2
227.12805	9.3
233.11729	74.2
251.12817	29.6
287.05563	14.9
312.05981	3.7
319.15152	4.3
329.13843	9.0
337.16266	8.4
347.14886	25.8
365.15945	18.4
383.17014	12.6
388.14679	4.5
418.16156	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	417.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01897	2.1
55.05506	9.3
57.03458	2.1
57.07069	4.1
59.05016	2.6
61.02930	3.6
63.85169	1.9
65.03941	2.2
67.05503	7.4
69.03416	10.3
69.07066	6.7
69.81831	8.6
71.04990	24.1
73.06551	2.7
79.05506	16.7
81.03441	2.6
81.07056	28.5
83.04983	2.6
83.08627	5.5
84.70689	1.6
85.02911	8.5
85.06551	4.9
91.05482	17.7
93.07049	21.8
95.04977	3.1
95.08618	25.9
97.06540	5.7
97.10170	4.2
99.08125	10.7
103.05466	2.3
105.03413	4.1
105.07032	45.1
105.07691	3.3
107.04929	3.0
107.08598	28.8
109.06546	3.3
109.10155	13.0
111.08122	3.0
117.07029	3.5
119.08572	15.9
121.02895	4.3
121.06514	2.0
121.10156	15.2
123.04469	3.7
123.11719	6.6
124.07599	2.4
125.09634	27.4
127.07629	2.8
127.11200	5.7
131.08566	10.9
133.10136	73.6
135.11714	3.3
139.11197	2.8
143.10686	28.5
145.02866	2.6
145.06584	2.6
145.10162	15.5
147.11688	21.5
149.02400	3.8
149.13251	15.5
151.11215	4.6
153.01840	5.7
159.11717	11.3
161.13312	7.4
163.03943	2.4
163.11186	2.7
165.01796	11.9
165.12717	3.1
167.03429	3.4
167.07063	21.0
167.14325	38.6
169.12268	3.9
173.13309	2.1
175.14865	2.2
181.04974	7.5
185.15623	1.9
191.07068	2.5
191.17957	2.2
201.16383	18.1
204.13890	2.3
206.15433	3.1
219.17458	47.9
237.18449	11.1
251.06941	11.5
253.10678	2.3
254.05711	3.8
255.06535	7.6
255.11240	3.8
265.08585	6.3
267.06531	100.0
268.07266	6.5
271.06027	8.8
279.06473	9.4
279.10379	1.9
281.08105	7.6
283.05981	16.8
283.10751	15.9
284.06979	2.2
287.10281	2.2
289.08749	2.4
293.07983	17.5
295.06265	3.6
297.07574	64.5
298.08096	2.5
301.11865	7.0
307.06567	2.3
307.09619	11.6
309.07672	8.9
313.07101	20.7
317.07971	2.9
319.09552	2.8
319.12949	8.4
321.07590	32.1
329.11179	4.0
333.07654	10.4
335.09192	5.8
337.06937	19.0
345.07703	10.6
351.08661	21.6
363.08551	31.4
379.06927	2.5
381.09637	40.1
399.10782	14.5
399.19287	5.9
417.11044	9.9
417.20413	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	417.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	9.4
57.07057	5.9
58.92207	4.0
61.90142	3.6
62.72738	4.3
67.05498	17.7
69.03448	9.0
69.07068	11.0
71.04995	27.7
71.53901	4.2
73.10370	3.5
79.05496	15.6
81.07067	40.2
83.08635	6.8
83.42723	4.4
84.08160	9.1
85.02911	7.3
90.61539	3.3
91.05479	18.0
93.07046	28.9
95.04951	8.3
95.08620	35.1
97.02902	4.2
97.06540	7.7
99.08086	7.2
103.05454	4.7
105.07034	53.6
107.08571	33.2
109.06504	8.0
109.10161	16.3
115.05524	5.5
117.07025	8.0
119.08606	19.3
121.10150	16.3
123.04482	4.6
123.11709	8.4
125.09666	25.0
127.03938	4.3
127.07536	4.9
127.11216	9.5
129.07005	4.1
131.08577	13.8
133.10138	100.0
135.11685	4.4
136.10863	3.5
137.05919	4.2
139.03932	5.8
143.10655	31.6
145.10158	19.2
147.04405	8.1
147.11755	19.4
149.13280	18.5
151.11179	7.6
153.01884	4.6
157.10013	4.2
159.11714	17.9
161.13234	8.3
163.11276	4.4
167.07072	36.5
167.14349	43.4
173.06029	6.2
173.13289	4.8
181.04927	16.4
191.06995	7.0
201.16371	17.5
203.05333	5.6
219.17461	55.2
220.17853	5.2
237.18518	16.5
245.34560	4.1
255.06557	12.5
271.06079	10.6
313.15988	5.3
324.27594	4.6
387.14420	4.8
417.15631	10.3
417.20486	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.6
53.74813	1.1
55.05509	5.7
57.03428	1.6
60.63275	1.0
62.70297	1.0
64.10023	1.0
66.70286	1.2
67.05512	11.4
68.05034	6.4
69.03454	5.9
69.07081	1.5
70.06601	2.8
71.36639	1.3
74.02454	3.9
79.05499	14.5
81.07066	5.0
83.04982	4.2
84.04501	2.0
85.02904	2.5
86.09669	1.3
91.05492	8.8
93.07050	5.2
95.04968	7.7
95.08604	4.4
97.06528	2.2
99.04449	3.7
102.05587	1.1
105.04455	1.1
105.07031	11.1
107.04958	25.9
107.08606	3.3
109.06522	5.7
109.10162	37.4
111.04452	3.9
112.03983	4.0
113.02377	2.8
117.07027	3.9
119.08601	10.8
121.06534	2.5
123.04446	1.2
123.08104	1.7
125.06015	1.5
128.06248	5.0
129.07025	4.9
130.05005	6.4
131.08551	3.1
133.10143	12.7
135.08090	2.5
137.06049	2.7
137.09622	56.3
139.03905	2.7
142.07690	1.2
143.08563	17.5
145.10144	4.2
146.07271	3.7
147.08057	19.6
147.11714	1.4
148.06033	3.1
149.02357	1.9
158.04620	1.5
159.08072	1.5
161.09627	100.0
162.09889	1.2
163.11229	2.7
165.09125	88.8
167.07080	3.7
171.08008	1.3
173.13307	3.7
174.06819	2.4
176.05577	14.4
177.05560	2.0
179.10680	9.3
185.13258	1.2
186.06435	1.2
189.09099	12.2
191.14301	2.7
194.06619	43.9
194.08403	2.3
197.11746	4.5
198.43066	1.3
207.10176	44.6
208.10637	1.1
209.08034	1.8
219.10249	1.4
221.08127	1.8
225.11298	7.7
239.12836	2.0
250.10782	2.6
283.41824	1.3
400.16064	2.6
418.16870	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18631	2.2
53.03946	4.6
55.01869	6.3
55.05523	11.2
57.03442	4.2
57.07079	5.8
59.32158	2.2
61.02925	2.7
65.03946	4.3
67.05503	17.5
69.03439	7.8
69.07065	9.6
71.04996	24.6
71.20129	3.5
76.59486	2.3
77.76949	2.3
79.05498	23.1
81.07059	48.0
83.04977	4.6
83.08652	5.0
85.02902	10.7
85.06553	2.8
91.05485	22.8
93.07056	26.5
95.08626	26.7
97.02900	3.4
97.06548	8.7
99.04475	2.4
99.08117	12.0
103.05466	4.0
105.06397	4.7
105.07047	54.3
106.04181	2.2
107.04967	3.5
107.08620	25.4
109.02941	2.7
109.06551	2.7
109.10174	17.7
110.03649	2.3
111.08115	3.5
115.05381	2.2
117.07025	4.0
119.04963	2.3
119.08604	20.9
121.10152	21.2
123.04437	3.0
123.08082	5.0
123.11721	9.0
125.09659	31.0
127.03929	3.1
127.07529	5.9
127.11235	10.2
131.08556	12.3
133.10150	100.0
135.11684	6.7
139.03925	3.8
143.08543	2.9
143.10693	38.3
145.05060	2.6
145.10146	15.8
147.04498	3.5
147.11713	24.7
149.13272	19.2
151.11205	9.8
151.14813	4.5
153.01828	3.8
159.11714	17.9
161.13300	9.1
165.12769	6.3
167.07098	32.8
167.14330	34.9
169.12325	3.9
173.06009	3.3
175.14754	2.6
181.04968	21.8
191.07077	7.2
191.17842	4.5
201.16386	18.6
216.57507	2.3
219.17479	60.3
233.08203	2.3
237.18533	15.0
255.19562	3.3
268.07104	2.9
269.07260	5.9
271.03094	3.7
271.06052	75.7
275.83908	2.4
283.06085	3.4
313.07135	3.1
325.16605	3.1
339.12341	3.0
381.09616	6.5
385.11945	6.1
417.16022	16.3
417.21066	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	417.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13394	0.1
55.01872	0.1
55.05501	0.2
55.82777	0.1
56.47109	0.1
57.03426	0.1
58.32259	0.1
67.01883	0.6
67.05501	0.3
68.99799	0.3
69.03427	0.3
69.07083	0.6
69.42077	0.6
69.42490	0.3
71.05003	0.1
77.03979	0.1
79.05497	0.2
81.03418	0.1
81.07053	0.9
83.08628	0.2
85.02916	0.6
86.09679	0.1
91.05474	0.4
93.07053	0.5
95.04947	0.2
95.08620	0.6
97.02895	0.1
97.06544	0.2
103.05466	0.8
105.03365	0.3
105.07050	0.9
106.07353	0.1
107.08606	0.6
108.08874	0.1
109.02869	0.2
109.10183	0.5
111.08134	0.2
117.06968	0.2
119.08597	0.5
121.10146	0.4
123.04420	0.2
123.11741	0.1
127.03909	0.3
129.03374	0.4
130.06578	0.1
131.08572	0.4
132.08934	0.1
133.10136	0.4
134.10483	0.2
135.11711	0.2
139.03886	0.3
144.09230	0.2
145.10156	1.3
146.10474	0.6
147.04393	0.7
147.11673	0.4
148.12013	0.1
149.13274	0.3
151.11203	0.1
153.01846	3.2
157.10178	0.2
159.11723	1.5
160.12050	1.0
161.13269	0.2
163.03909	0.2
167.07129	0.9
171.02959	0.1
173.06023	0.2
181.04977	0.3
184.75140	0.1
187.07539	0.2
189.09137	0.1
201.16386	1.1
202.16727	1.0
204.18279	0.2
209.05983	0.3
213.05562	0.2
219.17477	0.4
220.17792	0.3
233.07933	0.1
237.18593	0.3
255.06548	100.0
256.06854	0.9
322.36798	0.1
339.12460	0.2
385.13266	0.1
417.11380	0.4
417.15353	0.4
417.20190	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	417.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47594	2.0
52.29417	1.9
55.01862	2.4
55.05507	7.2
57.07068	2.2
67.05511	12.0
69.03416	7.8
69.07068	26.4
70.06305	1.7
70.06598	17.7
70.07033	7.4
71.04984	6.6
73.02908	2.2
79.05496	7.1
81.03426	3.5
81.07056	6.4
83.04990	7.6
84.08133	3.0
85.02906	13.0
85.06548	33.0
86.09724	10.4
88.04182	1.8
91.05490	17.7
93.07052	11.4
95.04970	13.0
95.08588	7.2
97.02894	4.9
97.06540	11.0
98.97597	2.5
99.04425	5.8
105.07037	8.0
107.08578	13.8
108.30251	2.3
109.02856	2.0
109.06528	6.4
109.10143	9.0
111.08096	3.6
111.11732	8.6
113.09645	21.5
117.06996	2.9
119.08616	13.8
121.02867	3.1
121.06500	4.9
121.10136	7.8
123.04447	3.0
123.08061	8.1
125.05993	5.0
127.03937	3.9
129.06877	2.4
130.55367	1.9
130.86870	2.1
131.08498	3.7
133.10123	10.1
135.08064	19.7
135.11722	4.8
137.06026	2.5
137.09596	6.0
137.51971	1.9
139.03911	3.2
139.04968	3.0
145.04979	5.0
145.10159	8.9
147.04410	2.7
147.08075	3.2
147.11670	4.7
149.09618	8.2
151.11150	6.6
153.09137	4.2
159.07957	2.9
159.11665	7.3
161.09618	8.8
161.13275	3.2
163.11224	9.6
165.01862	2.1
165.09116	7.1
167.07129	2.8
167.10678	2.5
173.13188	4.0
177.12779	7.3
179.10672	11.2
189.12567	3.5
191.14328	4.7
193.08684	2.5
197.11728	7.1
203.14400	2.8
207.13821	9.3
216.16077	2.7
219.02789	2.2
219.13745	9.8
219.17424	2.7
221.15305	2.8
229.15459	3.6
237.14864	100.0
255.13516	4.3
255.15910	11.4
259.02539	3.5
285.12381	5.8
353.10855	2.3
384.51453	2.3
417.08932	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	417.1184
Annotation	Daidzin
Peak:m/z	Relative Intensity
50.13394	0.1
55.01872	0.1
55.05501	0.2
55.82777	0.1
56.47109	0.1
57.03426	0.1
58.32259	0.1
67.01883	0.6
67.05501	0.3
68.99799	0.3
69.03427	0.3
69.07083	0.6
69.42077	0.6
69.42490	0.3
71.05003	0.1
77.03979	0.1
79.05497	0.2
81.03418	0.1
81.07053	0.9
83.08628	0.2
85.02916	0.6
86.09679	0.1
91.05474	0.4
93.07053	0.5
95.04947	0.2
95.08620	0.6
97.02895	0.1
97.06544	0.2
103.05466	0.8
105.03365	0.3
105.07050	0.9
106.07353	0.1
107.08606	0.6
108.08874	0.1
109.02869	0.2
109.10183	0.5
111.08134	0.2
117.06968	0.2
119.08597	0.5
121.10146	0.4
123.04420	0.2
123.11741	0.1
127.03909	0.3
129.03374	0.4
130.06578	0.1
131.08572	0.4
132.08934	0.1
133.10136	0.4
134.10483	0.2
135.11711	0.2
139.03886	0.3
144.09230	0.2
145.10156	1.3
146.10474	0.6
147.04393	0.7
147.11673	0.4
148.12013	0.1
149.13274	0.3
151.11203	0.1
153.01846	3.2
157.10178	0.2
159.11723	1.5
160.12050	1.0
161.13269	0.2
163.03909	0.2
167.07129	0.9
171.02959	0.1
173.06023	0.2
181.04977	0.3
184.75140	0.1
187.07539	0.2
189.09137	0.1
201.16386	1.1
202.16727	1.0
204.18279	0.2
209.05983	0.3
213.05562	0.2
219.17477	0.4
220.17792	0.3
233.07933	0.1
237.18593	0.3
255.06548	100.0
256.06854	0.9
322.36798	0.1
339.12460	0.2
385.13266	0.1
417.11380	0.4
417.15353	0.4
417.20190	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	417.1183
Annotation	Daidzin
Peak:m/z	Relative Intensity
53.03952	0.5
55.01869	0.5
55.05508	0.6
57.03439	0.8
57.14395	0.2
61.02921	0.7
62.46735	0.2
67.01869	0.9
67.05508	1.8
68.99792	0.5
69.03413	0.9
69.07070	0.9
69.98779	1.0
71.04989	0.7
73.02913	0.3
79.05484	1.1
81.03413	0.6
81.07072	4.8
83.04993	0.4
84.08115	0.3
85.02914	3.0
85.06515	0.3
87.04461	0.4
91.05494	1.8
93.07031	0.6
95.05003	0.4
95.08621	1.9
97.02879	1.1
97.06573	0.3
103.05478	1.0
105.03400	0.6
105.07047	2.5
107.08623	1.3
109.02897	0.5
109.06502	0.3
109.10171	0.6
115.03901	0.4
119.08595	1.6
121.10152	1.6
123.11700	0.8
127.03941	0.5
129.03351	0.5
133.10165	0.4
135.11685	0.4
145.04979	0.4
145.10136	0.6
147.11700	4.5
153.01849	3.7
165.06738	0.3
165.12794	3.4
167.07077	0.9
171.02878	0.3
175.11255	0.3
181.04967	0.4
183.13828	0.6
187.07431	0.3
193.12375	0.3
196.37042	0.3
201.16367	0.3
209.06044	0.4
219.17308	0.3
220.17915	0.3
225.26176	0.3
229.14413	1.4
231.06642	0.3
255.06549	100.0
256.06931	1.1
267.15955	1.0
271.06174	0.8
285.17178	0.3
297.16983	0.9
325.16443	1.1
399.19815	0.6
417.21115	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89845	3.0
67.05500	5.0
69.03424	26.2
69.07060	4.1
71.00410	6.1
79.05495	5.9
81.07050	8.2
83.04950	4.0
83.48762	2.8
85.02889	7.5
85.06572	2.5
91.05478	5.4
93.07043	6.0
95.04972	3.7
95.08614	7.9
97.06525	3.9
98.97602	3.9
105.07026	9.1
107.08602	6.7
108.08141	4.3
109.06535	6.2
109.10139	4.8
111.08079	5.1
117.07014	3.1
119.00296	2.8
119.08571	7.9
121.10110	7.4
123.04490	4.4
123.11703	4.4
125.09648	12.0
131.08601	4.4
133.10138	8.7
134.27989	3.2
135.08083	6.0
139.03896	9.7
140.04248	4.7
145.10135	7.4
147.11655	5.4
149.09618	3.8
153.09129	6.0
161.09596	5.3
163.03967	3.9
163.11200	5.0
167.07047	29.5
173.13286	11.8
181.04964	6.1
191.14322	45.2
209.15363	100.0
210.74406	3.0
219.17436	5.9
236.17137	3.8
241.12561	4.5
245.84071	2.9
283.19415	3.1
283.90134	3.2
306.02328	2.5
338.11136	3.1
338.94931	3.5
388.31842	3.1
417.15515	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	416.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.05502	1.3
57.03444	1.4
57.07071	2.8
63.47327	0.9
66.06006	0.7
67.05515	5.2
69.03447	4.9
69.07055	3.0
71.80651	0.8
79.05483	2.9
81.03417	1.6
81.07073	6.5
83.08618	1.4
85.02923	8.1
87.00838	1.5
87.04455	2.4
91.05479	3.7
93.07049	7.7
93.99960	0.8
95.08613	16.6
97.02924	4.7
99.04416	1.2
105.01859	3.4
105.07037	10.6
107.08604	15.2
109.02837	2.1
109.10179	6.6
115.03927	2.6
117.07008	3.8
119.07808	1.4
119.08599	17.0
121.10162	7.7
127.03905	3.7
130.07803	2.0
131.08591	8.2
133.04967	1.2
133.10164	6.8
135.08070	1.1
135.11684	3.7
143.08511	1.2
144.09335	2.1
145.04959	2.5
145.10132	39.9
147.11710	2.0
150.07585	1.0
157.10127	1.5
158.10973	2.0
159.11703	19.0
161.13274	1.9
173.13271	40.6
175.14854	1.2
189.73897	0.8
201.16394	100.0
202.16705	0.9
219.17484	6.9
231.05028	1.9
252.81102	0.9
259.97028	0.9
337.98190	0.9
351.72986	0.9
380.77994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47595	1.2
55.05519	1.5
57.03456	1.9
57.07064	2.1
67.05508	4.0
69.03420	3.6
69.07059	1.9
70.84260	2.4
70.84584	1.3
72.71551	1.5
79.05500	3.6
81.07078	6.0
83.04991	1.5
85.02913	9.0
85.06548	2.0
91.05473	6.3
93.07042	5.7
95.08605	5.4
97.02902	4.0
97.06537	2.0
97.10190	1.4
99.08117	1.6
105.01865	1.6
105.07043	18.1
107.08610	6.5
109.10146	3.6
117.07024	5.2
119.08591	7.6
121.06465	1.8
121.10162	4.0
126.10841	1.4
127.03942	2.6
129.07031	2.2
130.07823	2.3
131.08585	15.2
133.10136	13.7
135.11690	4.1
142.07721	1.2
143.08568	5.5
144.09239	2.2
145.10139	50.7
147.11699	11.3
153.01805	4.1
157.10117	5.0
159.11710	79.0
161.13281	2.9
162.09915	1.4
163.11156	2.0
173.13289	3.4
178.09285	1.2
191.14293	2.4
199.14851	3.4
201.16399	58.6
203.17964	15.1
219.17450	16.0
240.07471	1.8
253.10852	1.4
255.06544	100.0
290.55820	1.2
301.23636	1.3
304.63110	1.5
316.22269	1.3
356.11859	2.2
416.14587	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	415.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44246	0.7
55.05522	0.7
56.05038	1.5
57.03453	0.9
58.06603	100.0
61.02933	0.9
64.98553	0.8
67.05525	1.0
69.03456	0.8
69.07066	1.6
71.53595	0.8
73.41940	0.5
77.96889	0.6
79.05507	0.9
81.07054	2.0
84.08162	0.8
85.02927	1.4
85.06531	0.6
86.09712	7.1
91.05486	11.8
93.07072	2.5
95.08615	1.0
96.16484	0.6
97.02928	1.2
97.06591	0.9
97.10155	0.6
98.09690	0.9
105.07061	1.6
107.08572	0.9
108.80988	0.6
109.06512	0.7
109.10131	1.0
113.07143	1.4
114.09173	1.0
115.05496	0.7
115.08701	3.7
117.05763	1.7
119.08572	1.5
120.08201	0.8
121.10152	0.8
123.11723	1.1
126.05490	0.7
129.07028	1.0
130.06587	1.3
132.08096	25.5
133.10147	0.9
143.08218	1.2
144.08130	2.2
146.09642	4.0
147.11655	0.7
159.11722	0.6
160.07513	1.2
169.13406	1.1
171.09180	1.6
171.14954	15.5
171.16359	1.2
173.10818	1.3
178.08698	0.9
188.07079	2.3
188.11833	1.6
188.58824	0.7
189.10239	11.8
197.13229	0.6
198.10255	1.1
199.14427	15.2
200.11890	1.3
210.16048	1.5
212.11977	0.8
213.12572	0.8
214.13402	0.8
217.09744	8.3
227.15627	0.6
235.09981	0.7
235.16974	0.7
238.15485	7.8
239.15512	1.9
251.11133	0.7
256.18091	21.0
269.12503	3.1
273.15887	0.8
284.17639	2.5
301.15454	2.2
302.14984	13.2
312.17068	33.5
327.16776	1.4
330.18173	8.7
358.21286	10.5
397.22195	0.7
415.14899	1.1
415.23398	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.8
55.01857	10.8
55.05514	18.4
55.88628	2.8
57.03432	14.2
57.07061	9.1
61.02924	5.0
62.39119	3.1
67.05508	47.9
69.03425	17.2
69.06731	3.6
69.07074	38.5
69.88034	4.4
69.88445	10.5
71.04601	4.9
71.04991	90.8
79.05499	38.4
81.03379	6.1
81.07051	35.8
83.04982	10.7
83.08604	10.1
85.02905	35.4
85.06547	100.0
86.09671	5.3
88.94188	2.9
91.03960	3.4
91.05485	27.1
93.07045	41.3
95.04964	9.8
95.08578	18.3
97.02902	10.2
97.06535	22.8
98.21489	5.3
99.04453	4.0
105.07033	19.4
107.04928	9.0
107.08594	38.3
109.02882	4.9
109.06522	25.3
109.10154	13.7
111.08080	19.1
113.06007	38.4
119.08559	13.6
121.10131	9.1
123.08054	9.1
125.09641	7.3
126.85862	2.8
127.03949	5.6
128.14874	3.0
131.08536	11.6
133.10109	15.9
135.08017	4.0
135.11702	68.9
137.09648	3.6
145.04958	3.9
145.10173	3.9
147.04433	4.7
147.11679	10.7
149.09619	16.8
151.07591	5.2
153.09082	5.5
153.12756	60.8
157.10172	3.7
159.11676	7.5
161.09575	4.2
165.12733	6.4
167.10715	5.6
171.29736	3.1
173.03712	2.8
173.13190	2.9
175.14801	9.3
177.12756	15.8
179.10614	3.1
191.14229	3.7
199.14960	5.2
217.15852	11.3
235.09610	5.4
235.16922	45.5
253.14500	3.4
253.17986	13.4
415.10101	4.5
415.22183	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	415.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01865	3.0
55.05515	2.3
57.03422	2.9
59.05005	9.1
61.02911	4.2
63.80559	0.9
67.05501	5.0
67.24265	0.8
68.99786	1.5
69.03435	11.8
69.07048	4.5
69.78438	4.0
71.05000	6.9
73.02914	0.9
79.05497	5.2
81.03416	3.7
81.07066	8.6
83.04996	4.3
84.08125	1.5
85.02911	31.3
85.06548	6.1
86.09666	1.2
87.04458	1.2
91.03968	2.2
91.05479	3.8
93.07045	12.1
95.04962	2.5
95.08616	6.2
97.02901	7.4
97.06538	3.3
99.04470	2.1
99.08094	1.7
103.03982	0.9
105.07044	6.2
107.04968	2.0
107.08608	11.3
109.02874	2.8
109.06521	7.2
109.10150	5.1
111.08083	3.9
112.94408	0.9
113.06013	2.2
117.07012	2.8
119.04949	4.0
119.08602	8.4
121.02869	9.0
121.06528	4.3
121.10132	9.2
123.08079	1.8
125.09627	3.9
127.03947	8.0
129.06960	1.2
131.08560	1.4
133.10139	9.6
133.53516	1.0
135.08066	8.2
135.11711	2.9
137.06007	1.1
137.09633	5.0
139.03902	1.2
143.08554	1.9
145.02814	2.4
145.04971	12.0
145.10112	1.6
147.04463	1.7
147.08011	1.3
147.11664	2.8
149.09631	100.0
153.01782	1.3
153.12721	2.7
157.06525	1.0
157.10115	3.1
159.11713	6.9
161.09651	15.3
163.03902	3.0
163.06004	2.2
165.01819	8.5
167.07059	1.6
171.11617	1.6
173.13196	1.1
175.03943	1.1
175.11186	3.2
175.14810	3.1
177.01793	2.4
177.12762	43.7
181.04810	0.9
183.02884	2.1
189.01839	1.1
189.16422	3.3
191.03426	3.2
191.13924	0.9
195.02905	1.8
199.14833	3.0
203.03369	1.8
213.05531	1.6
215.03430	2.1
217.15906	73.6
218.16272	1.3
219.17378	3.1
235.16930	35.5
241.04993	1.4
243.02960	1.1
253.14307	1.2
253.18069	7.1
267.06540	2.3
269.04364	1.0
271.05966	5.3
281.08032	7.1
283.06030	66.5
284.06509	1.9
295.02887	1.7
295.06100	19.2
295.09485	1.8
297.04114	1.4
297.07544	2.8
305.07996	2.8
307.05972	2.4
308.06732	1.8
309.04095	2.0
309.07593	21.4
310.08331	1.1
313.07050	2.1
321.07465	3.0
323.09186	12.0
325.06912	1.9
329.86673	0.9
333.07523	3.3
337.07080	33.3
337.11154	1.9
338.07166	1.1
349.07126	10.8
351.08746	2.0
359.09094	1.7
361.07233	7.1
367.08090	15.4
371.08264	0.9
379.08124	22.9
387.08633	3.3
397.09229	15.6
415.09314	15.6
415.15649	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	415.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02812	1.5
53.03931	2.1
55.01864	4.5
55.05506	3.9
57.03428	3.8
57.07076	52.4
61.02917	6.3
62.06109	1.9
67.05529	1.4
68.27873	1.3
69.03436	10.6
69.07052	2.2
69.27740	3.5
69.28157	9.6
71.04989	3.1
79.05497	4.4
81.03422	3.5
81.07045	5.1
83.08604	2.4
85.02905	33.4
85.06541	13.4
91.03927	1.7
93.07033	5.6
95.04962	2.9
95.08627	3.0
97.02905	12.9
97.06541	2.0
98.97587	2.6
105.07015	4.7
107.08551	2.7
108.08096	1.9
109.02882	3.0
109.10126	1.9
117.05495	1.6
119.08596	2.6
121.02900	2.3
121.06532	1.8
123.04414	4.0
127.03912	24.8
127.07565	7.3
131.08583	2.9
133.10104	2.2
135.11703	2.5
135.81570	1.8
137.05991	5.3
137.09587	2.6
139.03876	8.2
145.04953	7.2
145.10179	1.9
147.11749	2.2
151.03909	6.8
153.01833	100.0
157.10225	1.6
163.03897	3.4
165.01857	3.3
165.05476	2.0
167.10626	2.1
175.03787	1.8
177.01883	4.3
193.05003	6.3
193.08514	1.8
195.02850	10.6
199.14699	1.9
205.04993	8.5
211.09676	3.3
217.05014	2.0
217.15916	3.1
219.02869	11.6
231.02974	2.7
235.05946	2.6
235.09703	5.2
235.16930	9.1
247.06035	2.5
247.09666	5.8
249.04097	2.5
253.10725	68.8
253.13416	3.3
253.17978	5.4
259.09778	2.1
261.03998	4.2
265.10718	6.3
277.07471	2.3
277.10703	13.4
285.06482	2.6
295.11636	4.7
297.06027	3.6
319.11728	8.6
325.14893	2.7
327.07697	1.6
331.11752	8.8
361.12778	5.6
371.19891	2.9
379.13873	4.0
392.12259	1.7
397.16220	5.4
415.10153	6.8
415.23151	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	415.1601
Annotation	Hymenoside R
Peak:m/z	Relative Intensity
51.63593	1.7
55.01869	3.2
57.03432	5.7
57.07081	100.0
59.80231	1.8
68.99759	1.9
69.03439	5.6
70.58431	6.1
81.03443	3.6
83.04971	2.3
85.02912	18.4
85.06553	27.5
86.28928	1.9
95.04967	2.3
97.02887	4.5
103.03948	4.5
109.02861	4.2
112.48138	1.9
119.04948	1.9
121.02900	3.4
123.04452	15.8
127.03911	4.8
127.07568	8.5
139.03934	10.1
145.05002	2.4
147.04430	3.2
148.69838	2.0
149.05992	3.3
151.03934	33.8
153.01848	6.9
161.05989	2.8
163.03917	7.0
165.01892	12.8
165.05473	7.0
169.05046	4.9
173.42442	1.8
175.04082	2.2
177.01874	8.3
178.06303	4.0
179.03429	9.5
179.06821	1.9
186.71777	2.5
189.05421	2.1
189.09134	6.8
191.03401	11.3
193.04968	22.3
195.02896	32.8
205.04968	15.9
207.10191	18.8
215.03378	2.8
217.04942	4.9
217.08618	3.0
219.02887	28.2
231.02898	7.4
235.06018	6.8
235.09674	32.2
247.06052	5.3
247.09723	15.0
249.04048	3.3
253.10728	8.9
259.06198	3.6
259.09698	9.2
261.03995	12.9
265.10742	10.9
277.07721	1.9
277.10696	36.4
279.05069	4.6
295.11758	13.5
297.06104	8.5
301.10739	7.0
319.11801	14.7
331.11792	17.5
343.11816	6.3
349.13040	2.1
361.12680	14.9
379.13965	11.1
397.15097	5.5
415.15833	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	415.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05515	0.8
57.07076	40.4
67.01825	0.6
67.05509	0.5
68.99777	0.6
69.03423	1.9
70.84188	0.9
81.03394	0.7
81.07057	1.3
85.02911	2.0
85.06544	8.6
93.07050	0.5
95.08588	1.0
97.02862	0.9
100.39593	0.4
105.07021	0.9
107.08521	0.6
109.02891	0.8
109.06538	0.5
113.00587	1.1
123.04371	0.7
127.03922	19.7
127.07565	4.9
133.10152	0.6
139.03902	0.8
153.01828	100.0
163.04004	0.8
169.04980	1.5
175.14890	0.6
183.04745	1.6
189.05449	0.5
195.02837	0.5
235.09642	1.4
235.16988	1.0
239.11020	3.6
253.10715	68.1
254.11028	1.1
283.05951	0.5
309.11227	0.7
415.14014	3.4
415.23074	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26075	1.5
52.97546	1.4
53.03940	9.4
55.01866	3.4
55.05515	3.5
57.03439	4.3
57.07083	8.7
61.02921	3.1
62.45932	1.6
67.05517	11.9
69.03432	28.8
69.07053	2.7
71.04998	4.2
71.53998	2.4
73.02896	3.2
73.59570	1.5
79.05501	4.2
81.03419	35.9
81.07059	12.7
83.04952	3.5
83.08615	1.7
85.02909	20.6
85.03389	2.7
85.06542	22.1
91.05481	6.2
93.07054	8.2
95.04977	3.8
95.08612	6.8
97.02889	14.3
99.04447	6.8
99.08113	2.3
100.20012	1.7
103.03977	3.9
105.07027	8.1
107.08600	6.5
109.02889	21.9
109.06521	13.6
109.10174	4.7
111.04453	1.7
117.06998	2.9
119.08591	7.5
121.06544	3.0
121.10118	2.2
123.04414	8.5
123.08044	2.6
123.11762	2.2
127.03916	23.3
127.07535	11.4
129.06998	2.8
131.08545	3.2
133.10141	3.9
135.07997	2.3
135.11617	2.1
137.05994	2.4
139.03915	9.3
143.08519	2.2
145.05008	9.2
145.10100	2.4
147.04449	5.2
147.11659	6.1
149.09674	2.2
149.13300	3.0
151.03903	6.0
151.07533	1.9
153.01837	7.2
155.03439	2.3
157.10097	3.0
159.11665	3.5
161.13297	1.8
163.03937	4.9
165.05492	2.9
165.09137	4.7
175.07555	5.0
185.09525	2.6
187.06020	19.9
189.09169	3.1
191.07071	2.1
193.08624	30.0
199.14825	2.1
203.03413	2.0
203.07104	1.9
205.07025	2.1
208.39354	2.0
211.09659	100.0
217.04866	2.6
217.08536	4.7
217.15829	5.3
217.19429	2.7
227.10490	1.7
235.05997	2.7
235.09651	10.8
235.16936	4.2
253.10748	16.3
253.17970	2.9
271.06210	1.9
273.11270	2.4
277.10760	7.5
283.09763	1.9
301.10635	12.9
319.11777	14.0
337.10703	2.7
400.68002	1.7
415.13831	14.8
415.23785	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01229	1.9
56.96571	27.5
57.03419	3.2
61.02923	2.6
69.03413	8.8
69.07051	1.8
69.84112	1.8
71.52858	2.1
71.95251	2.3
73.02921	2.3
84.96037	7.1
85.02923	12.0
86.09731	4.3
88.03973	3.0
91.05481	9.2
91.21963	1.9
97.02889	6.6
98.06046	2.8
98.97594	100.0
110.97571	17.3
112.07603	3.0
112.99104	3.4
116.98639	36.9
119.04945	13.3
127.03927	6.5
128.98621	14.7
130.08629	3.6
130.93178	2.1
131.00146	4.5
134.99677	6.6
135.04448	2.7
136.06149	3.7
137.05936	4.2
139.03894	11.8
139.49236	1.9
140.00246	1.9
143.00160	7.4
144.06599	3.9
144.98053	3.2
146.99654	7.9
147.04419	40.8
148.04750	4.2
149.01114	2.0
152.05692	6.2
155.00175	2.2
158.99654	13.6
161.01228	5.2
163.03905	9.4
168.03397	2.3
170.99661	7.2
172.94351	2.9
177.00720	13.3
179.00113	2.2
186.04395	4.6
189.00737	4.6
190.95413	2.5
193.00198	2.9
201.00745	5.3
211.02850	2.0
213.00830	3.1
213.03287	3.0
214.95506	2.8
219.01775	22.5
222.03889	3.1
229.00180	4.1
232.96465	2.8
235.02760	8.5
237.02788	30.8
238.01506	4.1
239.02444	2.1
239.66951	1.8
243.01819	2.4
243.21298	1.8
247.03487	1.9
253.03862	7.4
257.04501	6.6
271.04858	2.4
274.97598	20.5
277.03876	8.6
283.04636	2.2
292.98676	9.1
294.06143	3.2
295.05026	10.2
311.55530	2.1
331.05890	2.8
337.05865	3.7
355.07260	6.2
373.04340	6.8
373.08365	4.4
397.08270	4.4
415.09872	55.3
432.96609	2.8
433.10321	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	414.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95161	0.5
57.07063	1.4
59.05018	0.6
60.64829	0.5
61.02908	0.6
63.32067	0.5
65.44297	0.5
67.05486	1.1
69.03432	1.3
69.07062	1.2
70.06570	0.5
71.05015	2.4
71.25635	0.4
79.05489	1.3
81.03435	0.7
81.07054	1.6
83.04996	0.7
85.02912	2.6
91.05479	1.6
93.07050	2.0
95.08613	0.8
97.02880	1.0
99.04449	0.6
99.40178	0.5
105.07021	3.6
107.08616	1.5
109.02882	0.8
109.10187	0.8
113.03481	0.5
114.05510	0.7
117.07013	1.3
119.04941	0.6
119.08564	1.8
121.06499	0.9
121.10114	1.1
123.09393	0.4
123.11739	0.5
128.06244	1.8
129.07005	1.9
131.08583	6.7
132.06567	0.7
133.10133	2.0
135.11697	0.6
139.03874	0.7
141.06967	1.8
142.07751	2.8
143.08571	12.1
145.04907	0.5
145.10141	4.1
147.07999	0.6
147.11714	1.2
153.01828	0.7
155.08543	1.2
156.09370	5.4
157.10144	12.7
159.08049	0.7
159.11655	1.2
160.06065	0.5
161.09631	5.9
171.11710	1.6
173.13191	1.0
174.10458	1.3
175.11212	4.9
178.07085	0.9
187.14771	0.5
189.16351	0.7
199.14828	16.1
217.15903	100.0
218.16222	1.9
253.18066	0.6
310.11624	0.5
386.13184	0.6
414.17270	0.7
414.22061	1.4
415.13943	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.9537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98634	0.3
55.39036	0.2
56.96300	0.3
56.96569	5.7
70.33469	0.5
70.33825	0.5
71.95266	2.1
98.97586	90.6
116.98624	32.1
130.93324	0.6
134.99658	5.3
140.00188	0.9
154.93317	0.5
172.94348	5.6
190.95416	2.2
197.95151	0.4
208.96471	0.5
214.95396	4.7
214.97438	0.5
232.96484	6.1
250.97562	2.0
256.32407	0.3
256.96445	24.1
257.96896	0.3
258.99814	0.7
274.97510	100.0
275.97931	1.0
276.97977	0.4
277.00742	0.6
291.07083	0.3
292.98563	41.2
297.99146	2.0
314.95514	0.3
316.00092	0.6
316.98947	0.4
372.94833	0.3
414.95410	6.0
432.96417	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	414.9541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77660	0.3
56.96295	0.6
56.96569	8.3
59.89898	0.3
60.95856	0.4
61.01126	0.5
61.02931	0.6
69.03418	1.1
70.76578	0.7
70.98123	0.8
71.95271	1.5
74.76308	0.3
77.50548	0.3
78.64941	0.3
79.08560	0.3
81.03433	0.4
84.96037	0.4
85.02923	2.2
86.09717	0.8
91.05489	2.3
97.02907	1.3
98.97590	74.9
101.00861	0.5
107.04980	0.3
110.01234	0.3
110.97569	1.2
113.78180	0.4
116.07110	0.7
116.98629	31.8
119.01858	1.0
119.04954	3.3
120.05288	0.4
121.06503	0.8
124.99167	0.5
127.03938	0.7
128.98631	1.1
130.93289	1.6
134.99666	8.1
139.03897	0.6
140.00175	0.6
145.03523	0.5
145.04933	0.4
146.99716	0.8
147.03239	0.6
147.04419	10.3
148.04742	1.1
153.00760	0.8
153.01891	0.6
154.93306	0.8
158.99651	0.8
161.01262	0.6
161.02997	0.4
163.03973	1.0
168.98108	0.6
172.94363	4.6
172.97554	0.4
173.01247	0.5
174.97647	0.5
178.75757	0.3
185.89732	0.3
186.99200	0.4
189.00739	0.6
190.95398	3.1
193.01701	0.3
197.95216	0.6
202.04961	0.3
202.98654	0.5
203.03987	0.4
205.00175	0.5
208.96451	0.6
210.00420	0.4
211.00783	0.5
214.95404	3.7
217.00407	0.3
219.01840	1.3
221.05171	0.4
222.03970	0.4
229.03749	0.5
230.98471	0.7
232.96472	6.3
233.96735	0.4
237.02802	1.2
244.96510	0.8
244.99599	0.5
245.05080	1.4
247.03128	0.5
250.97466	2.5
253.08069	0.4
255.98077	0.4
256.96454	17.1
260.96191	0.5
262.97491	1.0
263.06012	0.5
274.97519	100.0
275.97916	0.8
292.98581	43.2
293.67166	0.4
297.99179	3.0
312.95255	0.7
314.48251	0.4
316.00262	0.6
328.95190	0.4
355.04950	1.6
372.97665	0.7
373.06598	0.6
394.54376	0.4
414.95303	5.6
415.04507	0.4
415.10172	0.4
432.96368	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	414.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67615	0.3
57.03429	0.4
57.07082	12.8
67.04233	1.1
70.06600	1.8
71.10217	0.5
71.10548	0.6
80.05029	0.5
81.07074	0.4
82.06587	4.0
84.04479	0.5
85.02901	1.0
85.06519	0.9
86.09711	0.7
88.03998	24.9
95.04944	0.7
98.06062	17.8
99.04433	0.9
107.08685	0.4
116.07090	6.0
126.05517	1.1
127.07595	2.0
129.50894	0.3
137.05998	4.9
139.03876	0.4
144.06567	100.0
151.03911	0.5
161.05981	4.0
163.07538	1.2
165.05475	1.5
176.76729	0.4
179.07042	4.2
181.04887	0.5
189.05502	0.7
202.08661	1.4
207.06537	2.2
207.10274	0.6
217.05011	1.2
222.82028	0.4
225.07616	1.6
228.12286	1.1
235.06017	0.6
247.13251	0.4
248.09134	0.4
265.14435	0.5
281.27472	0.4
287.05264	0.4
291.12305	2.0
294.09753	1.0
308.02811	0.4
309.13174	0.5
309.87640	0.3
312.10794	3.1
332.14798	0.4
352.17606	0.5
378.15103	0.7
396.16547	1.5
396.81879	0.4
414.17627	38.1
415.18036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
55.05506	4.9
57.03440	1.9
61.02926	2.5
67.05492	6.4
69.03434	21.1
69.07070	2.9
69.26193	8.2
69.26614	4.5
71.05002	3.7
79.05496	11.0
81.03418	4.3
81.07062	12.9
83.04939	1.7
83.08611	2.3
85.02922	13.2
85.06519	3.5
91.05486	21.6
93.07049	78.0
95.04968	3.2
95.08593	4.8
97.02876	4.6
97.06532	1.5
97.10145	1.5
98.20642	1.4
105.07040	12.4
107.08598	14.6
109.10175	4.4
112.83489	1.3
116.06245	3.4
119.08586	7.5
121.06480	3.1
121.10149	52.6
123.08070	2.8
127.03906	2.2
129.07010	3.8
131.08594	22.2
133.10100	2.9
138.31255	1.3
145.04855	1.7
145.10057	1.7
146.01927	1.2
147.11748	7.2
148.15097	1.6
149.09627	100.0
157.10081	3.9
159.11707	3.9
171.11670	1.5
189.16373	1.9
199.14816	4.4
215.08858	1.4
217.15872	5.8
235.16940	10.8
379.92688	1.3
414.22061	3.5
415.13370	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.142
Annotation	t(6)a
Peak:m/z	Relative Intensity
52.54858	0.3
56.05040	0.7
57.03445	0.4
69.03420	0.6
71.04463	0.4
71.04786	0.5
73.02943	0.5
74.06094	2.1
81.07090	0.3
81.98420	0.3
85.02904	0.6
86.09763	0.3
87.49411	0.3
87.72969	0.3
90.43475	0.3
93.10114	0.3
94.04011	0.3
102.05535	1.1
119.03548	2.5
120.06588	8.6
136.06200	100.0
137.04593	1.1
144.06607	0.5
146.93100	0.3
162.04129	61.8
162.12451	0.3
176.44469	0.3
235.13911	0.3
245.39339	0.3
268.10352	0.6
281.09958	55.7
294.08240	0.4
399.82074	0.4
408.75394	0.3
413.14163	2.8
430.71527	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67878	0.5
67.05505	1.5
69.07050	0.7
69.73930	2.2
71.04965	0.8
81.03441	0.6
81.07049	1.9
85.02882	0.8
87.08616	0.5
91.20641	0.5
95.04954	0.6
95.08627	0.9
97.02881	0.7
105.07026	1.0
107.08578	0.7
114.31622	0.6
119.08611	1.1
129.06998	0.6
134.88972	0.5
137.13315	0.6
143.32269	0.7
157.10023	0.6
163.11143	0.7
179.76019	0.6
185.04225	8.1
203.05565	0.6
217.15894	0.9
221.15440	0.6
239.07037	0.6
239.11166	0.7
251.12564	100.0
252.12924	1.8
269.12363	3.3
287.13394	2.7
297.91867	0.6
369.13351	1.0
369.18637	0.9
394.06653	0.7
413.17715	95.4
414.18015	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01873	2.0
57.03432	3.1
57.74298	1.1
58.21214	1.1
61.02929	2.0
65.03948	2.4
69.03432	13.5
69.59794	5.0
69.60205	2.2
71.04971	1.8
73.02927	2.0
79.05487	1.5
81.03412	10.9
81.07056	1.5
85.02914	33.4
85.26797	1.1
87.04482	9.2
91.03953	1.3
91.05455	2.0
92.05013	5.9
93.06993	1.3
97.02886	17.3
98.20708	1.2
99.04449	3.2
103.03957	3.7
105.07049	1.5
109.02907	6.1
109.06531	1.1
115.03180	1.8
115.03936	26.1
119.11000	1.1
120.04475	100.0
127.03931	22.6
132.04471	11.3
133.04990	4.6
134.06023	8.6
138.05513	51.5
145.04970	15.2
146.02383	4.9
148.03958	1.7
150.05574	1.6
154.06516	1.6
157.04985	3.3
162.05513	7.9
172.07594	2.2
175.06076	1.9
180.06528	6.5
182.05998	4.1
184.07518	2.0
186.05498	5.8
194.24629	1.1
198.05516	2.0
200.07088	4.4
204.06569	2.7
210.05524	13.2
217.08775	1.3
228.06557	32.2
234.16258	1.3
246.07622	7.5
259.08151	4.1
277.09167	1.2
360.10760	2.9
378.11890	6.6
396.13211	1.8
414.16739	1.7
414.21838	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	414.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	12.1
58.06602	0.6
67.04246	0.8
69.00750	0.4
69.03445	0.4
70.06588	1.6
70.11576	1.5
78.36288	0.4
82.06593	4.1
85.02903	0.6
85.06545	0.8
88.04002	26.6
98.06066	18.1
99.04483	1.0
104.35381	0.4
116.07110	4.4
119.04967	0.6
126.05534	1.5
127.07544	0.5
135.08064	1.0
137.05986	8.2
137.06949	0.7
139.03902	0.9
144.06575	100.0
145.06778	0.5
147.04422	1.4
147.08046	0.8
161.05988	4.7
163.03961	0.9
163.07570	2.8
165.05527	0.7
165.07808	0.4
166.05064	0.7
174.09262	0.4
174.40460	0.4
179.07048	5.6
185.16864	0.4
189.05540	0.7
191.10683	0.6
202.08727	3.3
207.06534	1.5
217.04968	2.1
221.15483	0.9
225.07616	1.5
228.12334	1.6
230.06630	0.5
235.06029	1.0
235.09662	0.5
245.04523	0.5
245.11769	0.5
247.13242	0.8
248.09154	1.1
250.10812	0.7
252.12343	0.6
263.05484	1.0
277.14380	1.3
285.84515	0.4
291.09561	0.5
291.12363	2.7
294.09750	1.0
312.10812	9.4
346.29391	0.4
352.17596	1.2
378.15472	0.8
396.16626	2.5
414.17630	31.1
415.17664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.8
56.12465	0.5
56.21426	0.5
57.74396	0.6
69.03422	0.8
69.07083	0.6
69.63278	3.1
81.07047	0.9
82.86845	0.4
83.08611	1.2
85.02885	1.4
85.06550	0.8
91.05476	1.1
93.07053	0.5
95.04983	0.6
95.08591	0.8
97.02892	0.9
105.07035	0.8
107.04961	0.9
107.08525	0.5
109.02931	0.7
121.02860	0.7
127.03908	1.0
135.30771	0.5
137.05882	0.5
147.09128	2.5
162.33029	0.5
175.14781	0.5
177.16312	0.5
191.08185	2.3
207.02896	0.6
213.18552	0.8
243.02934	0.7
249.09534	0.7
249.11307	0.8
261.03848	0.8
267.10721	2.4
271.57150	0.5
273.03970	0.6
281.14954	1.5
285.03836	1.5
291.04880	1.4
291.10562	0.6
309.11850	0.5
325.13989	3.1
345.05664	0.5
353.15750	1.8
363.06888	1.0
393.08649	0.6
394.12439	0.8
411.16119	100.0
412.16486	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.8
56.12465	0.5
56.21426	0.5
57.74396	0.6
69.03422	0.8
69.07083	0.6
69.63278	3.1
81.07047	0.9
82.86845	0.4
83.08611	1.2
85.02885	1.4
85.06550	0.8
91.05476	1.1
93.07053	0.5
95.04983	0.6
95.08591	0.8
97.02892	0.9
105.07035	0.8
107.04961	0.9
107.08525	0.5
109.02931	0.7
121.02860	0.7
127.03908	1.0
135.30771	0.5
137.05882	0.5
147.09128	2.5
162.33029	0.5
175.14781	0.5
177.16312	0.5
191.08185	2.3
207.02896	0.6
213.18552	0.8
243.02934	0.7
249.09534	0.7
249.11307	0.8
261.03848	0.8
267.10721	2.4
271.57150	0.5
273.03970	0.6
281.14954	1.5
285.03836	1.5
291.04880	1.4
291.10562	0.6
309.11850	0.5
325.13989	3.1
345.05664	0.5
353.15750	1.8
363.06888	1.0
393.08649	0.6
394.12439	0.8
411.16119	100.0
412.16486	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1991
Annotation	diflorasone
Peak:m/z	Relative Intensity
52.70047	0.4
55.01869	0.4
55.05503	0.4
67.05492	0.6
69.03423	1.0
71.52476	0.4
79.05489	0.6
81.07050	0.6
83.08616	0.4
85.02917	1.7
87.04453	0.4
88.03955	0.4
91.05499	0.5
93.07034	1.0
97.02902	0.6
107.08640	0.8
109.02853	0.7
115.03933	1.5
119.04945	0.6
119.08537	0.3
121.02875	1.2
121.10136	0.5
123.04472	0.4
127.03930	0.8
130.07706	0.3
133.04922	0.5
135.11707	0.5
145.05026	0.6
145.10255	0.4
147.04407	0.5
160.55116	0.3
189.12778	0.3
199.65552	0.3
203.05362	0.6
213.14935	0.4
217.04953	0.4
219.05563	0.3
245.06148	0.3
249.07520	0.7
249.14821	0.5
255.91203	0.4
259.06100	0.8
271.05991	0.8
277.09073	0.3
292.07034	0.4
296.06287	0.7
297.06610	0.9
309.06619	0.7
321.07394	0.5
322.07742	0.4
323.08371	0.9
327.07776	1.2
335.08456	0.6
336.08905	0.4
337.09714	1.4
339.07498	0.5
347.08517	0.5
351.07730	0.8
365.09235	2.0
375.07602	0.4
393.08722	4.7
411.09906	5.7
411.19922	100.0
412.20300	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1077
Annotation	Orlandin
Peak:m/z	Relative Intensity
54.10548	0.4
55.01870	0.5
55.05512	0.6
67.05512	0.6
68.99789	0.9
69.07052	0.5
71.04967	0.4
71.53425	0.7
79.05502	0.8
81.03436	0.6
81.07051	1.5
91.05475	0.7
93.07045	0.7
97.10187	0.7
105.07010	0.7
107.08614	0.5
111.00795	0.6
119.08627	0.4
121.10147	0.5
128.06213	0.3
131.01883	0.4
165.07016	0.8
178.07840	0.6
179.08530	0.8
193.06538	0.7
194.07260	0.6
195.08034	0.6
202.07854	1.0
203.08562	1.4
205.10139	0.5
206.05444	0.4
207.08049	1.1
209.09576	0.7
211.07582	1.1
215.08592	0.6
217.06429	0.5
218.07335	1.0
219.08084	0.7
221.06027	1.2
221.09801	0.5
223.07506	0.5
231.08116	2.1
232.08797	0.6
233.09555	0.4
234.06656	0.9
235.07571	1.9
237.09166	0.7
245.06055	0.5
247.07628	0.6
248.04672	0.5
249.05479	1.3
249.09175	1.0
250.06284	0.6
251.07089	0.8
251.10376	0.4
259.07660	2.7
260.08319	0.4
261.09146	0.7
262.06378	0.5
263.07004	2.4
264.07852	1.5
265.08539	0.6
269.06512	0.4
271.07547	0.8
273.05603	0.4
274.06128	0.5
275.07001	0.5
277.05200	2.6
277.08282	2.5
278.09406	1.2
281.08252	0.4
286.06207	0.5
287.07065	8.4
288.07785	2.4
289.08600	1.6
290.05771	2.9
290.09052	0.7
290.15454	0.4
291.06522	7.0
292.07153	0.6
293.04770	0.7
293.08102	0.8
293.11636	0.4
294.05215	0.8
295.06046	2.6
296.36749	0.4
299.06799	0.4
303.06570	1.5
304.07095	0.7
305.04453	1.0
305.08026	10.5
306.08881	12.9
307.06009	1.0
307.09360	0.8
309.03976	0.4
315.06491	7.6
316.07306	4.5
317.08023	3.2
318.05225	4.9
318.08890	1.2
319.06030	17.5
320.06552	0.7
321.03970	5.9
321.07483	0.5
321.11197	0.7
331.06311	0.4
331.09802	0.6
332.06711	3.7
333.07565	20.1
334.08340	16.2
335.05493	0.6
335.09177	1.0
336.06320	0.6
337.07071	1.5
338.07617	0.5
343.06039	1.2
347.09244	0.6
349.10773	2.3
350.04190	1.0
350.08032	0.8
360.06509	0.6
361.07086	23.8
362.07236	0.4
363.04956	4.3
364.05875	1.2
365.06525	1.6
365.10425	2.5
379.08243	0.8
393.09702	29.7
394.10043	0.9
411.10767	100.0
412.11002	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	411.1076
Annotation	Orlandin
Peak:m/z	Relative Intensity
55.05507	1.6
57.03442	0.4
61.28123	0.3
61.44128	0.3
67.05496	1.3
68.99778	1.6
69.07060	0.6
69.54485	1.4
71.46051	0.3
74.09725	0.4
79.05499	1.4
81.07070	2.1
83.08636	0.5
91.05466	0.7
93.07046	1.0
95.08587	0.4
97.10172	0.7
97.68348	0.4
97.95499	0.3
98.21580	0.6
102.91563	0.3
105.03405	0.5
105.06981	0.4
107.08585	1.2
111.00851	0.7
112.99435	0.4
115.05454	0.6
119.08601	0.4
121.10185	0.5
125.09662	0.8
128.06174	0.4
149.13272	1.0
152.06250	0.3
153.07062	0.4
157.06534	0.4
165.06990	1.1
167.04942	0.4
169.06506	0.7
171.04308	0.5
173.06004	1.4
178.07843	0.7
179.08549	0.4
181.06541	0.6
183.08081	0.6
185.97861	0.4
187.03975	0.4
189.07005	0.4
190.07809	0.5
191.08562	0.7
193.06544	0.6
194.07288	0.5
195.08028	1.1
197.06042	2.4
199.13351	0.8
202.07698	0.4
203.08611	0.7
205.06512	0.5
207.08075	0.7
209.09616	0.7
211.07602	0.7
215.08615	1.0
217.06517	0.5
218.07256	0.8
219.08075	0.8
221.06082	1.1
221.09610	0.4
222.06715	0.7
223.07567	1.6
225.01822	0.7
225.05502	0.4
226.02669	0.4
227.03503	0.5
229.04979	2.1
231.08060	0.9
233.09682	0.7
234.06721	0.5
235.07553	1.4
236.08241	0.4
237.05457	0.5
237.09164	0.8
239.07115	1.1
243.02782	0.6
243.07965	0.4
245.06091	0.4
247.07574	0.6
249.05360	1.0
249.09235	0.6
250.06270	1.7
251.03313	0.4
251.07071	1.4
251.10674	0.5
253.01318	1.4
253.04945	1.2
254.02122	1.2
258.06955	0.5
259.07651	1.3
260.08286	0.5
261.09082	1.1
263.07028	2.6
264.04037	0.5
264.07785	1.7
265.04993	0.6
265.08646	1.7
266.05859	1.4
267.03662	0.3
267.06598	1.5
269.07913	0.5
269.17560	1.6
271.07666	0.6
274.06339	0.9
275.06979	0.8
277.05002	1.5
277.08575	1.3
278.05798	1.3
279.06601	1.6
279.10205	2.5
287.07062	6.0
288.07739	1.1
289.08630	2.6
290.05856	2.3
291.06610	3.0
291.09573	0.6
292.07297	3.9
293.05054	0.5
293.07910	1.9
294.05292	0.6
295.06012	21.1
296.06396	0.6
299.07019	0.5
302.05722	0.6
303.06522	1.4
305.04648	0.7
305.08060	6.0
306.05524	0.7
306.08759	2.4
307.06244	0.8
307.09613	7.1
309.07394	0.6
315.06534	5.0
316.07431	1.7
317.08118	3.6
318.05301	3.2
319.06042	7.5
320.06702	1.8
321.03928	1.0
322.04642	0.6
332.06747	1.8
333.07574	12.3
334.08368	4.2
335.09146	6.1
337.07199	1.5
343.05994	0.8
346.04965	0.8
347.05453	0.9
350.04297	1.6
351.08447	0.9
361.07062	18.1
362.07217	0.4
364.05923	0.8
365.06641	1.4
379.08148	17.2
411.10757	100.0
411.27588	1.6
412.11127	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	409.3831
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05498	15.4
57.07066	6.6
59.13742	3.7
59.81129	4.0
67.05502	25.8
69.07063	24.4
69.24879	14.9
69.25304	22.6
72.08138	9.7
79.05506	23.3
81.07064	68.5
83.08614	11.5
89.06020	10.9
91.05486	13.0
93.07049	51.8
95.08615	86.8
97.10175	9.9
98.20743	8.6
105.07039	24.1
107.08589	33.4
109.10165	64.6
111.11774	5.1
114.68964	4.0
117.21378	3.8
119.08575	11.8
121.10156	100.0
123.11719	25.2
131.08553	4.5
133.10132	14.3
135.11703	38.3
137.13280	7.3
145.10094	8.5
147.11691	12.8
149.13286	45.6
151.14810	5.1
159.11647	5.6
161.13248	10.2
163.14818	11.0
175.14774	9.9
177.16380	12.4
178.99507	4.0
189.16418	12.3
191.17958	12.1
195.12349	7.7
196.12486	5.7
203.17877	19.9
205.19547	59.3
217.19537	19.5
231.21100	8.2
245.22627	5.6
257.22461	5.5
271.24194	5.8
285.25742	7.1
325.97025	4.2
373.71518	4.2
409.38477	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97720	1.4
79.20488	0.5
85.02927	0.8
91.05470	0.5
91.53112	0.5
109.10117	0.5
114.78632	0.5
127.03918	0.6
135.00552	4.0
147.04420	1.2
155.03223	0.5
203.05283	3.3
204.14758	0.5
251.37276	0.6
297.05838	1.8
299.07385	14.6
326.76398	0.6
411.08917	100.0
411.16068	29.7
412.09543	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3831
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.03936	3.1
55.05521	18.3
57.07079	8.3
67.05511	28.3
69.07071	46.8
71.08638	4.1
79.05494	16.6
81.07060	76.0
83.08622	18.6
91.05483	9.5
93.07047	31.2
95.08612	74.3
97.10147	7.9
105.07037	20.5
107.08601	43.5
109.10163	60.2
111.11704	4.6
117.06995	1.9
119.08595	26.6
119.28044	1.6
121.10153	37.8
123.11725	32.7
129.95442	1.7
131.08568	8.7
133.10135	24.4
135.11711	26.8
135.75789	1.7
137.13257	17.8
143.08572	2.6
145.10123	14.3
147.11707	20.4
149.13269	24.7
151.14842	5.0
157.10133	3.7
158.10966	2.7
159.11717	15.6
161.13298	16.7
163.14854	13.0
171.11655	4.4
173.13260	12.1
175.14845	12.8
176.11058	1.6
177.16425	10.2
179.18063	2.0
185.13234	3.8
187.14879	8.9
189.16423	11.1
191.17960	10.0
199.14844	3.2
201.16464	10.2
201.18105	1.5
203.17944	10.6
205.19518	4.4
213.16367	3.8
215.17982	7.3
217.19473	8.9
219.21109	5.9
227.17993	2.6
229.19440	8.4
231.21040	8.2
241.19621	1.8
243.21188	5.2
245.22624	5.8
257.22681	6.2
259.24185	6.4
271.24207	8.1
283.24060	2.0
285.25876	6.0
297.25806	2.9
299.27240	4.4
301.28961	2.2
311.27362	2.6
313.28876	2.6
325.28909	3.4
327.30518	6.2
339.30722	3.4
353.31967	5.6
358.59500	1.8
367.33646	2.6
385.64478	1.6
396.61133	1.7
409.38315	100.0
410.38663	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	2.7
55.05522	15.7
56.60595	2.3
57.07064	9.3
67.05509	27.3
69.06728	3.9
69.07072	54.0
71.08633	4.2
71.30968	5.0
79.05519	12.4
81.07064	92.7
83.08636	15.8
89.06040	3.5
91.05492	7.1
93.07050	31.3
95.08614	89.0
97.10169	8.1
105.07036	18.7
107.08594	40.7
109.09469	4.4
109.10170	61.9
111.11731	6.1
117.07029	2.8
119.08600	26.7
121.10149	39.2
123.11721	37.1
131.08586	8.2
133.10126	23.2
135.11696	25.3
137.13280	25.1
145.10123	9.1
147.11684	13.9
149.13283	22.3
151.14803	4.2
159.11748	11.8
161.13255	19.4
163.14841	19.5
171.11716	3.6
173.13286	11.6
175.14830	14.4
177.16399	16.3
187.14838	10.2
189.16373	14.2
191.17958	10.1
201.16431	8.1
203.17982	9.6
205.19536	6.2
213.16338	4.2
215.17979	10.7
217.19550	10.4
219.20992	3.7
229.19598	14.2
231.21115	9.3
243.21106	6.0
245.22740	4.0
257.22668	7.4
259.24185	7.1
271.24203	7.9
285.25903	7.4
299.27393	5.0
313.28867	4.2
327.30554	6.4
339.30371	3.6
369.54321	2.5
409.38306	100.0
410.38565	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	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
55.01875	2.4
55.05304	1.6
55.05515	18.6
57.07069	7.0
59.05019	2.0
62.17951	1.8
63.45560	1.6
67.05508	22.2
69.03429	10.2
69.07088	8.7
69.27545	10.5
69.27974	5.3
79.05143	1.9
79.05503	22.3
81.06598	3.0
81.07061	34.4
83.04974	4.3
83.08591	3.3
85.06540	2.2
91.05490	35.6
93.07053	45.7
95.04376	3.4
95.04977	47.2
95.08619	27.8
97.06520	6.8
103.05473	3.1
105.04543	1.8
105.07041	100.0
107.04946	3.4
107.08600	28.6
109.06503	10.4
109.10173	7.1
111.08080	3.5
115.05472	3.5
117.07044	14.7
119.04977	2.4
119.08588	67.3
121.06530	18.2
121.10147	15.6
123.08099	15.7
128.06250	5.1
129.07010	7.9
130.07799	6.6
131.08574	22.3
133.06532	5.5
133.10121	17.2
135.08089	13.5
135.11700	6.1
137.09627	9.3
141.07011	3.6
142.07771	14.6
143.08585	15.0
144.09343	5.2
145.06490	2.4
145.10138	36.3
147.08040	15.7
147.11705	48.4
149.09651	14.9
151.07573	14.3
153.09151	2.3
155.08530	8.8
156.09396	4.7
157.10143	24.4
158.10829	1.8
159.08102	5.4
159.11736	10.1
161.09639	8.2
161.13341	4.7
163.11244	4.9
165.09129	26.7
167.08618	3.2
168.09334	3.0
169.10112	9.4
171.11696	6.2
173.09659	7.3
173.13269	7.5
175.11191	34.6
177.09155	5.4
181.10191	6.7
181.12259	2.5
182.11024	2.5
183.11717	8.8
185.13319	3.1
187.11272	3.7
189.12767	7.1
191.14249	2.5
192.09518	1.8
193.10239	2.8
195.11864	3.7
197.13292	5.3
199.11169	3.3
201.12788	8.8
201.16444	3.8
203.14328	12.3
207.11943	3.2
207.13820	7.1
209.13260	3.2
209.15408	3.5
211.14920	5.5
213.12802	3.8
215.14355	5.3
216.15152	2.6
219.13867	4.3
221.13359	2.6
221.15367	71.7
223.14865	2.4
229.15948	5.0
231.13860	4.0
233.15262	4.2
234.16156	20.8
239.14328	3.1
253.15891	2.4
286.19180	4.2
287.20081	6.2
300.20847	4.5
329.21219	8.0
391.26337	9.2
392.31839	2.1
409.27438	58.4
409.33209	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	409.2741
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
51.02381	1.9
53.03941	4.0
55.01878	3.0
55.05518	18.9
57.03427	1.9
57.07063	4.5
59.04995	4.4
67.05506	22.8
69.03439	8.7
69.07082	9.5
69.79338	5.7
71.05008	1.9
79.05501	23.8
81.06602	2.4
81.07067	37.8
83.04987	7.1
83.08636	2.7
84.60796	1.6
85.06550	5.4
91.05488	36.8
93.07049	48.2
95.04979	46.2
95.08612	34.6
97.06533	11.5
103.05461	4.2
105.04552	2.4
105.07040	100.0
107.05023	2.1
107.08601	26.1
109.06539	12.6
109.10165	30.4
111.08085	2.8
117.07042	13.7
119.04946	1.8
119.08586	59.5
121.06512	17.3
121.10159	21.3
123.08069	15.5
123.11676	3.1
125.09665	2.0
128.06224	5.4
129.07007	9.3
130.07794	7.0
131.08575	23.1
132.09357	2.2
133.06488	6.3
133.10132	20.0
135.08080	10.9
135.11674	4.4
137.05974	2.0
137.09624	10.6
141.07048	3.8
142.07797	11.5
143.08574	22.3
144.09334	5.3
145.06474	3.8
145.10138	40.0
146.10939	2.3
147.08041	14.4
147.11708	33.5
149.09642	7.7
151.07553	18.6
153.09050	3.0
155.08560	8.3
156.09351	7.3
157.10162	23.2
158.10928	1.7
159.08072	4.6
159.11684	17.1
161.09642	9.9
161.13290	5.9
163.11180	4.8
165.09143	30.9
167.08600	4.3
168.09387	7.0
169.10139	13.8
170.10837	3.2
171.11708	13.6
173.09636	6.6
173.13274	10.1
173.99742	1.7
174.10538	2.2
175.11220	23.9
175.14796	3.5
179.08618	2.0
179.18015	2.0
180.09355	2.1
181.10132	7.2
181.12241	5.2
182.10925	4.0
183.11690	12.3
185.09589	3.2
185.13303	5.2
186.54341	1.7
187.11191	4.0
187.14854	3.3
189.12794	7.0
191.14305	2.3
193.10095	3.6
194.10904	2.6
195.11684	7.2
196.12524	2.4
197.13327	5.0
199.11201	3.7
199.14757	2.1
201.12810	10.7
201.16245	1.8
203.10719	2.1
203.14342	15.0
207.11983	2.8
207.13710	9.5
209.13307	3.4
209.15402	4.6
211.14812	9.1
213.12733	2.6
213.16304	1.8
215.14386	3.6
219.13783	4.1
221.15375	76.2
223.14816	2.3
224.63881	1.5
229.15883	6.6
231.13727	2.8
233.13312	2.7
233.15385	3.8
234.16069	9.7
235.14754	1.9
253.15923	3.7
262.77335	1.7
279.17294	1.8
286.19400	2.4
287.20078	7.7
297.07031	1.7
299.19952	2.6
300.20880	5.3
317.21106	3.0
329.21198	5.3
335.19904	3.2
373.25623	1.8
391.26285	6.8
409.27408	73.1
409.50690	1.6
410.27747	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	409.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
55.05512	6.9
55.53658	0.6
56.05029	0.8
56.05835	2.3
58.99580	3.4
59.99914	0.8
67.47908	0.6
69.71575	2.0
69.71993	1.4
76.02234	2.1
76.04005	0.6
78.01795	1.1
81.07044	1.4
81.45963	0.6
82.07392	0.7
82.62949	0.5
83.06092	0.7
83.08218	0.7
83.08630	8.0
84.04501	6.3
84.08971	4.1
85.04832	1.3
86.99064	3.2
87.99380	0.9
88.02195	0.9
98.09695	0.9
116.01688	12.3
117.02078	3.3
129.06599	0.9
130.05029	0.9
130.06834	0.6
144.01195	4.3
145.01489	2.4
159.08423	5.0
159.09560	0.9
160.08755	4.3
162.02214	19.7
163.02574	8.6
164.01762	1.3
176.10970	0.7
193.15836	0.9
198.07883	0.7
199.08742	1.3
211.08675	3.7
211.16962	1.1
212.09506	0.9
213.10269	2.2
215.11742	1.0
217.09726	1.6
225.06671	0.6
225.10219	4.6
226.10942	0.7
227.08200	0.7
229.09795	2.1
239.08180	5.9
239.11809	4.1
240.08952	1.5
241.09760	4.2
242.10498	1.0
243.07605	0.7
243.11310	7.0
252.09079	0.9
253.09804	7.2
254.10457	0.7
257.09268	3.3
257.13071	0.7
259.10934	2.9
260.11435	1.3
261.10721	1.8
262.11069	10.8
263.11407	10.7
267.07721	1.8
267.11337	4.8
268.08463	4.2
269.09351	0.7
269.12665	0.8
271.10788	24.3
272.11252	0.9
273.12393	1.4
275.10284	1.6
277.11847	3.1
279.13647	1.5
280.14078	4.7
281.09183	1.1
283.10773	0.7
285.08987	1.3
285.12317	4.3
289.11813	2.5
295.10825	4.6
300.10992	1.7
303.09830	0.9
303.13351	0.8
313.11823	6.3
314.12576	0.7
317.11255	1.8
318.11960	0.7
323.10233	7.3
327.13522	1.4
331.12885	0.7
334.15195	4.2
335.12427	2.4
341.11334	14.3
345.14529	2.3
349.13876	0.8
355.12994	3.3
359.12314	3.1
373.13974	12.7
391.15039	20.0
392.15610	0.8
409.16052	100.0
410.16449	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.6
55.05521	18.2
57.03439	2.6
57.07076	5.7
59.04995	3.0
64.44452	2.7
67.05508	23.9
67.98282	2.0
69.03428	6.4
69.07062	8.9
69.28931	13.6
69.29352	4.7
69.89151	2.3
71.04992	3.0
76.65267	2.0
79.05494	20.9
81.07066	34.7
83.04974	5.9
85.06551	4.6
91.05491	38.6
91.69096	2.2
93.07045	42.8
95.04976	47.7
95.08616	29.6
97.06524	7.2
103.05489	3.9
103.47684	2.2
105.07038	100.0
107.08606	25.4
109.06516	12.5
109.10191	10.8
111.08126	3.1
117.07026	12.2
119.04989	3.2
119.08592	64.0
120.09371	2.2
121.06502	17.5
121.10149	16.7
123.08094	17.7
123.11726	2.8
128.06226	5.3
129.07016	8.8
130.07785	3.7
131.08600	18.2
132.09377	3.1
133.06512	4.8
133.10123	18.0
135.08044	14.4
135.11693	6.8
137.09607	6.1
137.13293	2.6
141.06917	2.4
142.07809	11.4
143.08597	14.2
144.09335	4.8
145.06572	2.2
145.10126	38.3
147.08066	13.2
147.11690	47.2
149.09583	11.2
151.07535	19.4
151.98210	2.0
153.06989	2.1
155.08548	5.8
156.09373	5.8
157.10133	21.0
159.08090	6.2
159.11710	14.0
161.09663	6.1
161.13269	5.4
163.11169	4.4
165.06941	2.2
165.09119	25.8
168.09378	3.7
169.10144	8.8
170.10945	3.1
171.11641	10.7
173.09630	6.7
173.13258	5.9
175.11189	32.9
177.09109	3.8
179.08627	2.6
181.10112	2.8
183.11707	8.4
185.13260	6.1
187.11195	5.4
189.12733	6.3
195.11681	4.4
197.13327	5.6
199.11192	3.3
199.14848	3.2
201.12729	9.4
203.14330	13.5
207.11777	2.9
207.13640	4.5
209.13310	3.9
209.15237	4.1
211.14842	6.5
219.13765	4.6
221.13441	3.0
221.15372	66.7
223.14853	3.7
225.16518	3.0
229.15913	4.3
233.15489	3.4
234.16153	18.8
235.14728	3.8
239.17743	2.3
249.16547	2.6
286.19312	2.9
287.20023	5.9
299.20035	3.1
300.20789	7.6
329.21185	5.4
391.26303	6.6
392.31686	4.7
409.27332	52.1
424.31851	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	408.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.05523	6.7
57.02299	1.4
57.07061	2.6
66.15782	1.3
67.05504	8.3
68.05019	4.0
69.03420	3.9
69.07069	15.0
71.04995	13.6
71.22793	1.3
71.53141	1.9
79.05499	3.9
81.03440	2.1
81.07056	10.3
82.89799	1.3
83.05002	1.5
83.08619	10.1
85.02911	6.0
85.06535	5.4
91.05480	5.0
93.07053	11.3
95.08604	22.4
96.08913	1.4
97.02911	3.4
97.06535	5.9
98.97610	2.6
99.03840	2.8
99.04459	36.4
105.07041	6.8
107.08592	12.7
109.06550	1.6
109.10171	27.0
111.08103	1.9
111.11693	2.7
113.09640	3.8
114.05540	35.9
115.07549	3.8
119.08572	9.1
121.10161	9.1
123.08090	2.3
123.11709	6.2
125.09576	2.3
127.11202	5.6
129.05481	3.7
133.10139	17.1
135.11682	22.5
137.09648	2.8
139.03883	4.3
139.11174	2.1
141.12758	2.3
145.10052	1.7
147.11710	3.4
149.13242	3.1
151.11188	2.8
151.14772	1.8
153.12746	2.6
159.06569	3.6
165.12781	2.2
165.16377	1.9
173.06015	3.1
175.11232	1.8
175.14841	24.8
177.16376	1.8
191.14285	2.2
193.12233	3.4
193.15897	37.9
209.15297	2.2
211.13583	14.8
211.16945	100.0
219.06451	1.9
229.08624	2.1
229.14362	1.4
236.09264	1.9
244.63708	1.5
331.26239	1.4
390.15240	2.2
409.16098	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	408.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.4
56.05018	1.5
57.07101	1.1
60.04535	1.8
61.02931	1.8
64.07534	1.2
67.05502	6.2
69.03426	2.3
69.07073	9.3
69.75701	6.5
71.05000	6.0
79.05505	3.5
81.07063	13.9
83.08622	5.5
84.85357	1.0
85.02916	6.6
85.06534	1.7
91.05488	3.9
93.07073	9.9
95.04950	1.9
95.08067	1.6
95.08620	17.9
97.02934	1.1
97.06547	8.5
99.04435	2.7
99.33606	1.1
104.07108	3.3
105.07051	7.1
107.08602	13.8
109.06561	6.5
109.10175	20.8
111.08125	2.6
115.07588	5.1
119.08609	13.4
121.10147	7.7
123.08075	5.0
123.11723	11.9
125.09682	2.7
127.03927	1.8
127.11175	3.3
133.10147	23.6
135.11711	23.7
137.09625	2.9
141.09160	1.4
147.11687	8.0
149.13272	11.4
153.12750	2.8
155.10640	1.5
157.10149	2.0
159.11519	1.3
165.12778	2.9
175.11258	1.4
175.13313	2.1
175.14847	42.7
177.16425	1.6
193.15901	43.8
211.16963	100.0
212.17276	1.6
229.14374	27.2
372.27481	4.9
390.28549	2.1
426.06003	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
55.05507	4.8
57.07080	2.6
59.04993	1.8
62.25057	1.4
67.05504	9.0
69.03436	4.5
69.07058	9.3
70.79208	3.7
70.79564	1.8
71.04990	4.0
74.53181	1.6
79.05498	4.3
81.07064	15.0
83.04989	4.4
83.08619	5.9
85.02898	6.6
85.06539	3.8
86.09710	2.0
91.05503	1.8
93.07039	10.4
95.04961	3.9
95.08603	28.2
97.02888	1.9
97.06504	2.7
99.08103	1.7
105.07043	9.9
107.08586	14.9
109.06509	5.6
109.10152	25.9
111.08112	4.9
119.07804	3.1
119.08579	35.7
121.10167	5.8
123.08076	5.2
123.11717	18.9
125.09638	4.7
133.10123	15.1
135.11688	30.6
137.09625	7.9
147.11711	3.2
149.13286	8.7
151.75488	1.3
153.12730	2.5
153.78128	1.5
155.10707	1.9
175.14816	47.8
193.15886	59.4
211.16931	100.0
229.17967	11.2
236.63266	1.8
311.06570	1.6
327.50482	1.7
333.28983	1.5
409.18216	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	408.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81835	0.6
54.76665	0.5
55.01872	1.1
55.05497	2.1
57.07067	0.7
62.62164	0.5
67.05495	2.1
69.07060	2.9
71.04985	2.9
71.53864	0.8
79.05483	1.5
81.07047	2.3
83.04971	0.6
83.08617	1.2
85.02899	1.8
85.06543	7.4
91.05468	2.0
93.07037	6.8
95.04929	0.7
95.08625	5.4
97.02859	1.1
97.06515	0.8
99.08109	4.3
105.07019	2.3
107.08598	9.1
109.10156	15.0
111.08058	1.0
113.05971	0.7
115.08753	0.7
119.08595	5.4
121.10123	2.7
123.11720	2.5
127.11212	1.4
133.10141	4.0
135.11696	19.8
137.09555	0.8
139.11180	0.9
147.11684	2.2
149.13243	6.1
151.11119	0.7
151.14844	2.0
153.12749	13.9
165.12709	0.8
167.14336	0.9
175.14824	7.6
193.15884	2.8
211.16937	100.0
229.14381	2.6
333.10492	0.7
408.20978	1.1
409.18158	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	408.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.05507	1.7
55.65044	0.9
57.03423	1.3
67.05497	3.5
69.03409	2.3
69.07076	7.6
69.63330	5.7
70.06611	1.7
71.04993	3.0
77.71800	0.9
78.50637	0.9
79.05494	3.0
81.07062	5.9
83.04964	1.7
85.02914	8.0
85.06539	2.4
86.09717	1.2
91.05491	8.6
93.07056	9.1
94.05173	0.9
95.04977	9.8
95.08620	1.9
97.02887	3.0
98.21534	0.9
98.97592	3.0
99.04482	1.2
102.62833	0.9
105.07044	9.6
107.08604	5.5
109.06517	7.5
109.10165	2.2
116.79709	0.8
116.98666	1.6
117.66917	1.1
119.08566	3.5
121.02896	3.6
121.06492	1.2
121.10152	2.1
123.11684	1.9
127.03917	2.3
131.08601	4.8
133.10144	56.4
137.06003	4.5
147.11679	12.4
149.09633	1.8
151.07570	1.9
151.11194	36.2
153.09155	1.2
155.07066	8.4
161.13286	1.4
162.02243	1.1
165.12744	3.2
167.10686	1.1
173.13171	1.0
175.11194	6.0
184.84663	1.0
193.12267	28.9
206.29355	1.0
211.13315	100.0
213.27249	1.0
214.08752	1.1
217.04953	1.3
223.09137	1.2
229.14366	29.6
295.05994	3.8
307.06018	1.2
321.07660	1.6
325.07013	3.1
327.16550	1.3
331.09247	2.9
335.09076	1.8
349.06888	1.9
349.10669	1.8
363.08621	2.9
391.08240	6.2
408.15042	1.0
409.09045	9.7
427.16348	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	408.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41477	2.4
55.05519	4.6
55.51366	2.3
56.96566	2.4
67.05499	7.3
69.03420	3.7
71.53173	3.5
71.53558	2.5
79.05509	5.5
81.07064	10.7
83.05000	5.2
91.05515	6.1
93.07066	13.7
95.04985	17.1
95.08611	10.7
97.02882	5.5
97.06570	4.0
105.07050	15.3
107.08586	11.3
108.84109	2.2
109.06517	12.2
111.04447	28.3
113.06049	2.9
117.07014	3.7
119.08596	35.3
121.06522	4.6
121.10148	7.1
123.08082	16.2
125.06039	3.4
131.08614	11.9
133.10130	15.7
135.08060	56.2
143.08565	9.5
145.10139	15.1
147.08090	6.0
147.11714	6.2
155.08607	4.7
156.09367	3.8
157.10208	14.0
159.08072	5.9
159.11684	18.9
161.09647	9.9
161.13242	4.8
163.11284	3.9
169.10146	6.4
171.11713	12.4
173.09584	5.8
173.13272	24.7
175.11191	6.2
175.14853	6.5
183.11723	9.8
185.09732	4.3
185.13292	15.1
187.11227	6.5
187.14822	16.2
189.12743	3.8
191.14438	2.7
193.10193	3.3
195.11678	3.7
197.13239	12.8
199.11214	5.2
201.12735	11.6
203.14363	3.8
211.11290	3.7
213.12738	5.3
215.14343	10.6
217.12274	2.5
223.11285	3.4
225.16402	2.8
229.12271	6.3
231.13718	2.5
239.14381	4.8
257.15341	19.2
267.08957	5.5
267.17572	5.1
269.10608	2.6
271.17102	4.5
273.14954	2.4
275.16318	2.6
283.16937	7.5
285.10211	6.5
285.18616	6.1
295.16986	9.7
301.17987	24.7
313.18011	81.2
331.19064	100.0
343.86703	2.7
351.18549	2.9
369.19553	3.7
373.20166	11.2
408.24130	8.7
419.05463	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	408.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01873	2.4
55.05512	4.6
57.03433	1.9
59.05003	0.5
61.02919	2.6
65.03921	0.5
65.91515	0.4
67.05180	0.7
67.05505	7.9
68.52721	0.4
69.03430	3.1
69.06725	0.6
69.07066	6.1
71.04974	1.5
71.23547	0.6
73.02921	1.0
79.05494	4.5
81.03401	1.3
81.07056	32.0
83.04990	2.9
83.08178	0.7
83.08602	3.8
85.02905	13.9
85.06568	2.3
87.04458	0.4
91.03936	0.8
91.05480	8.2
93.07045	4.8
94.19177	0.4
95.08063	0.6
95.08609	5.4
97.02900	3.4
97.06519	2.4
99.04457	1.3
99.08073	2.4
101.06020	0.6
105.07033	16.5
105.55473	0.5
107.08588	5.8
109.02873	1.3
109.06496	2.7
109.10148	1.0
111.08035	0.6
113.05987	0.9
114.05515	1.8
119.08588	13.2
121.10146	12.9
123.08064	2.6
123.11707	20.7
127.03931	2.5
127.07587	2.5
127.08342	0.5
131.08487	0.6
133.10139	1.6
137.09557	0.4
137.13280	2.2
141.09111	0.8
145.04953	2.8
145.10143	0.6
147.11687	50.5
148.12018	0.5
149.68997	0.5
154.16106	0.5
157.10120	1.0
162.07619	0.5
165.12752	35.6
175.11140	1.3
180.08673	5.0
183.13809	12.3
183.15376	1.0
193.12263	4.9
211.13290	11.1
229.14349	100.0
230.14658	0.9
246.16959	0.7
307.39252	0.5
314.14618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78445	0.7
56.96555	2.2
70.84705	0.6
71.52181	0.9
71.86220	0.7
74.82466	0.6
77.80199	0.5
78.58964	0.5
80.51636	0.5
91.79574	0.6
95.94688	0.6
98.97594	13.2
101.00868	2.6
106.96590	0.7
116.98643	5.8
119.01933	5.6
120.97943	0.7
124.97885	0.6
134.99689	1.7
145.38539	0.7
158.99886	1.8
168.58990	0.6
172.94296	0.8
177.00974	10.6
180.07719	0.7
185.89882	0.6
186.28128	0.6
201.00952	2.8
214.95360	0.7
217.04054	2.9
219.02031	22.4
220.02069	1.1
225.00916	3.8
232.96443	0.9
243.02020	13.5
256.96521	2.0
258.99841	2.1
260.00201	0.8
261.03085	100.0
262.03293	4.5
263.03174	1.1
274.97519	12.6
275.97858	1.1
277.00873	2.2
279.00980	0.6
282.96832	0.7
282.99829	1.2
284.00098	1.5
284.04608	1.8
286.99890	1.2
292.98596	5.1
300.97742	0.8
301.01099	1.9
302.01349	1.2
316.00073	0.7
316.82440	0.6
367.02170	2.8
385.03192	24.3
386.03244	1.0
403.04300	20.1
403.09665	1.0
404.04843	1.1
426.01587	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50389	0.3
53.03936	0.3
55.01864	0.4
61.01159	0.3
61.02928	0.5
67.05524	0.3
69.03417	1.2
70.06611	0.3
71.14366	0.2
71.53238	0.3
78.04700	0.3
79.05493	0.6
81.03413	0.8
81.07046	0.4
81.96323	0.2
84.04502	0.4
85.02433	0.4
85.02912	4.3
86.09676	0.7
91.05473	1.0
93.07040	0.9
95.04951	0.3
95.08613	0.3
97.02888	1.2
98.97556	0.3
99.04401	0.3
103.05489	0.5
105.07037	1.0
106.04179	0.5
107.04956	0.8
107.08582	0.3
109.02845	0.4
116.07104	0.5
121.06541	1.4
123.04424	2.7
124.05215	0.6
133.06511	0.4
134.21588	0.2
137.05986	0.4
145.04959	0.4
147.04388	0.5
149.05992	2.5
152.04718	0.9
153.01776	0.4
161.06021	0.6
163.03929	0.6
166.06245	0.3
167.07045	100.0
168.07388	0.8
175.07640	0.4
179.07022	0.3
181.08591	3.2
182.06371	1.8
190.06346	0.3
191.07037	0.3
193.08644	3.4
210.05853	0.4
210.15697	0.5
211.09673	16.5
221.08189	0.4
228.06905	2.4
228.14204	0.4
229.10719	13.3
234.96906	0.5
239.09084	0.3
246.07970	1.0
247.06114	0.5
252.97983	0.6
271.06305	0.3
287.05527	0.4
337.12613	0.4
351.43393	0.3
409.09457	0.6
409.15707	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
51.25086	2.8
55.05514	11.6
57.07074	9.8
67.05515	20.2
69.07074	34.5
71.08645	4.0
71.24573	3.0
71.24898	2.8
72.61645	3.1
79.05513	8.2
81.07065	58.9
83.08633	9.6
85.49013	2.7
89.06032	10.1
91.05492	8.8
93.07059	27.0
95.08613	88.4
97.10188	8.1
105.07027	26.0
107.08604	46.6
109.10165	75.2
111.11720	8.1
113.00030	16.6
117.07037	5.9
119.08589	36.3
121.10150	34.1
123.11719	39.2
131.08583	7.9
133.10106	25.6
135.11702	24.5
137.13263	16.2
143.08598	3.2
145.10146	23.1
147.11693	28.6
149.13263	23.9
157.10101	5.3
159.11723	23.6
161.13304	11.6
163.14836	14.4
169.02618	13.1
171.11754	5.3
173.13301	11.6
175.14813	16.6
177.16440	14.2
179.17931	2.8
185.13176	3.8
187.14824	19.1
189.16397	98.7
189.18144	4.8
191.17995	9.1
199.14757	4.2
201.16428	25.0
203.18048	13.9
205.19603	11.7
215.17998	13.9
217.19588	18.7
219.21153	12.0
229.19508	7.0
231.20956	5.2
239.14925	4.0
241.19585	3.4
243.21179	11.0
255.21141	7.0
257.22897	4.0
262.20279	3.1
271.79135	3.3
323.27280	3.7
387.40384	2.8
407.31683	5.7
407.36819	100.0
431.02664	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	407.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.05506	12.0
57.07085	8.8
67.05510	20.8
69.07072	43.9
69.82336	2.5
69.82723	7.0
74.73265	1.3
79.05501	13.2
81.07063	85.9
82.03948	1.6
83.08620	15.2
89.16708	1.4
91.05469	10.3
93.07051	28.5
95.08616	58.3
97.10181	6.2
105.07038	26.9
107.08602	38.9
109.10164	45.6
111.11722	4.8
117.07011	3.4
119.08588	27.0
119.22941	1.8
121.10154	29.8
123.11709	21.4
129.07028	2.6
131.08575	11.8
133.08597	2.4
133.10143	21.5
135.11688	22.7
137.13260	10.7
143.08588	4.7
145.10139	17.2
147.10666	2.1
147.11711	23.8
149.13293	16.2
151.14775	2.5
155.08527	1.8
156.09373	2.5
157.10168	9.4
159.11717	27.5
161.13272	17.8
163.14781	7.3
169.10155	1.3
171.11687	7.8
173.13275	17.9
175.14865	12.2
177.16422	10.8
183.11757	2.1
184.12439	2.0
185.13341	7.5
187.14824	13.6
189.16380	8.1
191.17967	4.5
197.13324	1.9
199.14778	8.5
201.16422	12.5
203.17931	6.8
205.19508	2.4
211.14822	2.9
213.16338	9.0
215.17955	11.6
217.19490	5.1
227.17972	7.4
229.19484	10.2
231.20985	2.6
241.19469	3.1
243.21117	3.4
245.22694	3.5
253.19569	2.3
255.21104	6.6
257.22696	5.6
267.20950	2.0
269.22675	4.6
271.24289	3.8
281.22696	2.9
283.24274	5.8
297.25778	5.7
299.27432	1.6
311.27347	2.6
323.27423	2.5
325.28940	7.6
337.28931	3.2
338.29926	1.7
349.01932	1.6
351.30389	7.2
407.36740	100.0
408.37070	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3673
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
50.61219	1.9
53.03939	2.0
55.05517	14.4
57.07082	7.1
60.35928	1.4
67.05508	21.0
69.07078	43.3
70.71886	2.2
70.72213	2.6
71.08634	3.8
79.05485	12.5
81.07060	78.8
83.08626	15.8
89.06023	1.8
91.05484	10.7
93.07056	23.6
95.04952	1.6
95.08614	54.5
97.10183	9.3
105.07038	26.0
107.08601	36.4
109.10161	43.8
111.11729	4.0
117.07017	4.0
119.08589	28.6
121.10152	27.3
123.11726	23.0
125.13222	1.6
129.06978	1.9
131.08575	11.6
133.10139	20.3
135.11696	20.8
137.13275	11.1
137.23402	1.4
142.07808	1.7
143.08583	5.7
144.09409	1.5
145.10115	18.5
147.11690	23.8
149.13272	16.2
151.14859	3.5
155.08525	2.3
156.09373	2.4
157.10130	11.6
158.10988	1.9
159.11703	27.7
161.13251	16.6
163.14857	7.5
169.10155	3.0
170.10829	1.8
171.11702	9.2
173.13266	18.6
175.14806	13.4
177.16408	6.1
183.11732	1.8
185.13332	6.8
187.14815	11.4
189.16443	11.1
191.18024	4.3
197.13391	2.3
199.14873	9.3
201.16370	10.6
203.17979	6.4
211.14874	3.8
213.16420	6.2
215.17941	11.4
217.19589	4.6
225.16393	2.3
227.18002	7.1
229.19623	8.8
231.21205	3.1
239.17993	2.7
241.19525	4.8
243.21141	4.7
245.22630	2.0
253.19528	2.5
255.21100	6.0
257.22690	5.5
269.22687	5.4
271.24106	2.0
283.24222	6.2
285.25803	2.7
295.24261	2.2
297.25894	6.2
299.27289	2.6
311.27191	2.5
323.27441	2.9
325.28955	7.7
329.31509	1.6
337.29022	3.4
351.30618	4.2
365.32126	1.6
407.36752	100.0
408.37097	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
57.03444	3.0
57.07083	5.5
67.05500	3.5
69.07078	1.7
71.08630	3.8
71.27206	1.3
81.07053	3.8
83.08617	1.7
85.10181	2.7
89.06003	1.0
91.05495	0.6
91.18510	0.5
95.08607	4.1
97.10159	1.0
105.07094	0.5
107.08621	0.5
107.99953	0.5
109.10143	2.4
113.00019	76.6
119.08616	1.1
121.10118	1.3
123.11738	1.0
131.01018	0.6
131.08572	0.6
135.11748	0.5
136.33914	0.5
137.13278	0.7
145.10074	0.7
154.02672	0.9
156.59610	0.5
159.11690	0.6
169.02615	100.0
187.14749	0.6
189.16335	0.7
239.23433	0.6
266.32870	0.5
403.53711	0.5
407.36514	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2278
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
53.03960	3.3
55.05518	6.4
57.03425	6.0
57.07071	3.8
67.05509	12.0
69.03440	10.6
69.07071	11.7
70.06600	5.0
70.21320	7.8
70.21672	9.7
71.05006	8.8
79.05500	11.0
81.07069	20.8
83.04989	26.3
83.08625	9.3
83.33205	3.6
84.04517	7.9
85.02923	21.7
85.06531	7.0
86.09715	7.4
91.05473	17.6
93.07040	28.5
95.04967	8.5
95.08627	27.3
97.02915	6.1
97.06551	10.2
98.12125	3.8
99.08078	20.4
105.07001	17.9
107.04960	7.9
107.08601	40.5
108.09008	4.8
109.06550	14.5
109.10181	15.5
111.08138	3.4
116.01661	4.1
119.08597	20.2
121.06532	6.7
121.10152	31.0
121.34124	3.2
122.10470	4.2
123.08096	12.9
123.11703	9.1
125.09634	8.7
131.08565	4.3
133.10149	27.4
134.10504	5.9
135.08058	7.4
135.11703	20.1
137.09639	6.8
137.13258	4.1
139.09355	3.8
139.11145	3.6
145.10182	5.3
147.04445	10.8
147.11697	9.4
149.09648	55.9
149.13295	22.1
151.11243	20.6
152.11536	4.3
153.09116	15.2
161.13290	14.5
163.14867	8.9
167.07094	4.5
167.14331	5.0
173.13223	11.9
174.13626	4.3
177.08977	3.4
179.14354	36.1
191.14308	30.9
192.14639	7.1
197.15349	28.3
209.15379	100.0
210.15764	32.8
211.13371	8.4
227.16451	76.9
228.16870	4.5
245.17581	7.9
251.08138	4.3
260.11517	12.7
267.17142	4.3
269.09091	4.7
297.08682	3.8
311.10101	3.3
319.51743	3.7
357.10745	3.8
389.13345	14.4
407.13855	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	407.2067
Annotation	Trichothosporon A
Peak:m/z	Relative Intensity
52.02470	2.0
53.03947	6.4
55.01874	2.1
55.05513	16.1
57.03432	3.7
57.07059	4.1
59.27343	2.1
60.75015	1.8
65.03937	8.3
67.05508	37.5
69.03444	11.0
69.07075	14.0
70.13621	8.1
71.04990	4.7
75.04484	3.4
75.56055	2.0
77.85258	2.0
79.05496	28.0
81.03428	3.0
81.07056	67.9
83.04982	23.8
83.08628	5.9
85.02891	4.2
85.06561	2.8
91.05484	40.6
92.83643	2.0
93.03400	3.6
93.07046	100.0
95.04967	44.1
95.08607	97.7
97.06531	17.2
97.10175	3.4
98.20844	2.6
105.04566	2.7
105.07038	69.8
107.08598	75.1
109.06521	27.2
109.10160	27.6
111.04446	24.9
111.08086	44.6
115.05422	4.4
116.52008	1.8
117.07020	14.1
119.04947	6.0
119.06097	2.9
119.08585	70.0
121.02869	2.2
121.06496	8.7
121.10146	68.9
123.08063	26.8
123.11725	5.0
125.09640	3.9
129.06990	4.6
130.07841	6.0
131.08560	40.2
133.10136	66.8
134.10880	5.9
135.08066	10.6
135.11702	20.3
137.09616	8.4
139.03918	14.2
139.07555	9.8
141.09116	7.0
142.07784	3.6
143.08560	6.1
144.09349	8.3
145.09053	3.7
145.10127	43.3
147.07953	2.3
147.11711	10.6
149.09612	9.7
149.13240	16.6
150.13699	2.1
151.11101	2.4
155.08595	3.5
156.09306	2.9
157.08815	3.5
157.10114	12.2
158.07236	3.0
158.10971	4.6
159.08051	4.5
159.11679	76.1
161.13275	7.6
163.14832	14.3
167.08543	2.9
168.14685	2.2
169.10045	2.6
171.11661	5.3
173.09619	27.3
173.11029	2.5
173.13194	6.8
175.11237	2.3
177.12752	7.6
177.16370	11.6
182.10905	5.7
185.04414	9.5
185.09590	2.4
187.11229	5.9
187.14821	77.2
187.16473	4.1
189.12805	2.6
189.16362	3.1
197.13287	15.6
205.12166	2.2
205.15872	13.8
209.15378	4.8
210.15733	7.7
215.14334	35.2
233.15344	26.6
239.20319	2.1
251.16457	3.2
275.29349	2.3
313.12622	4.4
351.14426	4.1
389.19632	8.5
407.20667	58.1
431.79990	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
55.05497	1.8
57.03427	3.4
66.23888	1.2
67.05508	2.4
69.03387	1.5
70.06591	3.0
71.04998	7.2
71.53439	1.2
72.05295	1.1
76.02213	1.3
79.05478	3.1
81.03400	2.0
81.07043	3.7
83.04980	2.2
84.08126	4.0
85.02909	13.1
85.06528	1.5
86.03247	1.2
87.04441	1.1
91.05472	3.3
93.07038	4.8
94.06564	1.3
95.04946	1.3
95.08585	2.9
97.02909	1.9
98.97540	1.2
99.04459	1.5
105.07014	3.1
106.02916	1.1
106.07301	1.3
107.04929	4.3
107.08593	7.1
108.08912	2.5
109.02890	2.9
109.06510	1.4
109.10128	3.3
115.03979	1.9
116.01643	1.5
119.08627	2.3
120.04444	1.9
121.06511	1.6
121.10146	6.2
122.03205	1.1
122.10467	3.2
123.04401	2.3
123.08094	1.0
124.03928	4.8
124.07520	1.1
125.09628	1.6
129.05475	1.7
129.10211	1.9
131.08568	3.6
132.08905	3.4
133.10118	7.2
134.10490	3.0
135.08099	1.2
135.11694	1.6
137.06001	1.2
137.09589	1.7
138.05450	1.6
147.04401	2.5
147.11620	1.2
149.09590	1.6
152.07037	1.6
153.09149	1.0
161.13248	1.3
162.02272	1.4
163.14862	2.5
164.15173	1.3
168.06482	1.9
173.13263	2.8
174.13594	3.1
176.07130	1.6
178.05019	3.5
185.10654	1.6
187.08536	1.2
188.03400	3.4
191.14334	3.6
192.11047	1.2
192.14624	3.7
196.06038	2.8
199.08667	4.0
201.10265	1.3
206.04500	1.6
208.06351	1.1
209.11786	2.1
209.15323	5.9
210.12019	7.2
210.15842	1.1
212.09256	1.3
213.06511	2.1
213.10185	5.2
214.07199	2.0
215.08182	3.1
216.10193	1.8
216.98079	1.8
223.08597	1.0
225.10333	1.1
226.08615	1.5
227.08234	8.8
227.11780	3.6
227.16403	4.6
229.06195	2.6
229.09682	5.2
234.98944	3.8
237.10239	6.5
239.08228	1.1
239.11806	2.1
241.09778	13.1
242.10492	1.8
243.07574	2.8
243.11275	5.6
245.09152	1.3
245.17387	1.3
246.11299	2.0
250.07277	1.3
251.08165	4.4
255.07573	6.3
255.11234	8.3
256.09641	2.1
257.09222	3.2
259.10989	3.9
260.11404	4.3
261.12460	1.1
265.09766	6.0
268.07950	1.1
269.09250	16.9
271.10797	9.6
273.08649	6.2
273.12189	4.0
274.10428	1.5
279.07681	8.8
279.10574	1.5
280.08832	1.4
283.07712	1.9
283.10788	13.2
284.08923	2.2
285.12357	1.5
287.10272	4.5
288.10696	1.2
289.11679	2.2
293.09216	7.0
297.08734	22.5
298.09155	1.7
299.10315	8.5
301.08463	2.3
301.11786	9.6
302.10141	2.4
303.05133	1.9
311.10278	9.3
313.11722	2.6
315.09799	9.8
315.13089	2.1
317.11337	15.3
319.12860	7.1
321.08624	5.2
325.11920	2.4
329.11292	8.5
331.12943	3.2
333.10913	8.9
339.09732	15.0
343.13037	5.8
345.10825	18.2
347.12332	3.5
357.10867	7.7
371.12314	9.4
374.98038	1.5
375.11917	8.9
377.13327	3.6
388.95865	1.5
389.13440	79.1
390.96213	1.7
407.14410	100.0
408.14481	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	406.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82669	18.7
69.96462	100.0
75.66556	19.2
88.04443	20.2
146.72076	23.3
229.04749	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	407.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01870	5.2
55.05511	2.2
57.03422	4.1
58.99589	1.8
67.05498	3.5
69.03440	2.3
69.07074	3.6
70.06589	4.5
70.58112	2.3
70.58470	3.9
71.04668	1.4
71.05008	18.4
72.05356	1.5
75.93968	1.3
79.05479	2.9
80.05806	2.1
81.03402	2.5
81.07043	6.7
83.04975	3.3
83.61393	1.6
84.04494	2.9
84.08130	4.5
85.02444	1.9
85.02918	28.7
85.06532	2.7
86.03222	2.3
86.09715	2.2
92.05818	1.7
93.07047	5.0
95.08599	5.7
97.02892	4.0
99.08023	1.5
105.07021	5.2
106.02908	4.3
106.06516	1.6
106.07325	2.0
107.04970	7.9
107.08593	10.4
108.04456	2.6
108.08934	2.1
109.02863	6.9
109.06499	3.0
109.10137	2.2
115.03926	4.8
119.08573	4.5
120.04464	3.0
120.08891	1.7
121.06554	3.3
121.10132	5.3
122.06061	2.1
122.06874	2.2
122.10497	2.1
123.04459	1.7
124.03977	12.2
124.07606	1.5
125.09621	3.9
127.03939	4.3
129.05525	2.8
129.10246	3.4
130.06535	2.0
131.08562	6.5
132.08888	6.6
132.95816	3.2
133.10109	7.0
134.10463	4.8
135.08015	1.8
137.09575	2.5
138.05475	1.9
145.04921	1.7
145.10147	2.3
147.11678	2.1
150.09937	2.7
152.07054	1.9
158.97403	3.2
163.14822	4.4
164.15179	5.7
173.13242	4.9
174.13609	5.5
178.04994	5.4
179.14320	1.7
188.03409	4.0
191.10669	2.0
191.14337	3.9
192.14691	9.4
196.06061	2.6
197.43758	1.4
199.08736	3.8
201.10324	2.4
209.11713	6.1
209.15399	5.0
210.12057	9.8
212.96954	1.5
213.06506	2.0
213.10260	5.4
215.08163	2.1
217.09734	2.2
223.08736	3.9
225.10162	2.2
226.08722	2.2
227.03709	1.7
227.08253	11.1
227.11812	4.5
227.16403	4.2
229.06122	3.8
229.09889	7.3
231.11406	1.6
234.98987	6.2
237.10278	9.8
238.08797	1.9
238.11002	1.9
239.11797	1.9
241.09756	15.1
243.07681	1.9
243.11256	5.4
245.09300	3.2
245.17339	1.8
246.11362	2.4
250.07079	2.5
251.08150	8.8
254.08055	1.6
255.07703	8.0
255.11314	8.6
256.09784	2.2
257.09259	5.1
257.12570	2.1
259.10919	4.7
260.11551	5.7
265.09808	10.0
267.11380	3.5
268.08234	4.7
269.09244	30.4
271.10776	10.6
273.08676	7.6
273.12222	2.1
274.10571	1.6
279.07648	16.5
283.10840	14.3
285.12335	1.9
287.10355	4.5
289.11783	1.9
293.09229	16.1
297.08768	36.8
298.09360	2.1
299.10303	9.8
301.11832	9.1
302.10065	2.8
303.05225	3.2
311.10294	11.0
313.11951	2.0
315.09796	18.0
317.11298	18.3
319.12851	7.5
321.08746	9.9
325.12012	7.1
329.11398	10.0
333.10815	12.3
339.09814	23.8
343.13022	8.5
345.10800	18.5
347.12390	5.7
357.10834	9.2
371.12408	13.5
374.97980	5.0
375.11972	12.5
375.98373	6.5
377.13239	3.6
379.15164	2.6
388.96173	2.0
389.13461	100.0
390.12939	1.6
390.95999	3.0
392.99207	2.1
407.14484	96.4
408.14349	1.7
416.98920	1.9
417.99255	2.1
418.65714	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22141	18.7
64.72662	21.1
71.53454	29.6
73.36137	24.3
79.05481	30.2
81.07065	70.6
83.04960	20.5
85.02908	35.6
86.09702	28.4
91.05493	26.5
93.07035	49.5
95.08595	43.5
97.06547	19.5
105.07037	36.7
107.08618	49.9
109.10129	25.8
121.10114	37.6
123.11754	30.0
133.10179	29.4
135.11688	76.5
137.02328	35.3
137.13226	27.1
138.02687	24.7
139.03893	30.0
139.07584	19.2
149.13278	24.7
162.12764	38.9
163.14795	34.1
177.12775	25.6
209.15436	100.0
259.11154	52.5
292.15503	43.6
406.25839	94.8
409.63382	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	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93795	1.7
55.05497	3.6
57.03427	2.0
58.99558	2.3
61.02919	2.3
67.05504	5.1
69.03410	3.7
69.07058	5.9
69.24783	1.9
70.97588	5.0
76.02229	5.4
79.05481	6.6
81.07059	20.8
83.04962	2.6
84.04501	9.1
85.02905	15.3
86.00644	1.9
87.04467	11.5
91.05478	4.1
93.07047	22.9
95.08610	6.7
97.02898	2.8
97.06530	2.5
98.09740	3.2
105.07047	10.0
107.04948	2.1
107.08594	14.3
109.06526	3.3
109.10146	3.6
113.04243	2.4
114.56011	2.2
116.01685	7.6
119.08595	6.6
119.72651	2.0
121.06467	2.5
121.10151	36.5
123.08070	5.8
123.11714	57.4
128.34978	1.8
131.08582	2.4
133.10130	8.7
135.08051	5.0
137.09608	2.2
139.07590	2.5
139.11153	4.3
147.11719	11.6
149.09631	21.0
151.11183	30.2
153.09099	2.5
156.08424	6.4
156.10249	3.3
162.02167	3.9
163.07556	6.7
165.12761	12.4
167.07033	8.8
167.10684	68.9
173.13275	7.2
174.09485	3.1
178.65784	2.2
183.13773	2.8
191.10686	2.9
191.14331	7.1
209.11742	4.0
209.15392	21.4
227.09160	12.9
227.16420	100.0
259.11121	28.7
313.12091	2.4
322.07950	2.3
389.13522	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	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.7
55.05270	1.3
55.05516	17.0
57.03422	1.0
57.07065	1.1
67.05506	2.4
67.98457	0.8
69.03426	3.0
69.07061	1.5
69.71459	4.8
71.04985	1.1
79.05479	1.1
81.07043	3.7
83.04990	16.9
83.08630	14.3
85.02895	3.4
85.06526	1.1
86.30231	0.8
90.32825	0.8
91.05501	1.6
93.07052	3.9
95.08612	3.1
97.06534	3.2
97.10170	3.3
98.20782	1.0
105.07022	2.6
107.08612	8.3
109.06518	3.2
109.10172	9.7
111.08076	3.7
113.02353	1.0
119.08546	1.4
121.10146	3.8
123.08039	1.1
123.11720	4.3
125.09646	3.9
131.08572	2.0
133.10168	5.0
135.08066	2.9
145.10153	1.6
147.11656	1.8
149.09619	1.4
149.13232	2.6
151.11206	25.0
152.69888	0.8
153.09109	1.8
163.14804	1.6
167.14337	30.3
173.13242	3.2
191.14265	5.6
200.53560	0.9
202.43892	0.9
203.15338	0.9
209.15387	100.0
210.15753	2.5
227.16429	2.4
259.11148	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.3
57.03406	3.2
67.05504	4.4
69.03428	7.6
69.07060	7.7
69.50404	17.5
71.04985	2.8
79.05492	6.9
81.07053	13.5
83.08613	6.0
85.02922	16.3
91.05481	8.0
93.07035	9.1
95.04981	14.7
95.08608	10.6
97.02890	6.1
97.06535	24.4
98.21550	4.5
99.04453	4.3
99.08095	4.6
105.07040	15.2
107.04942	4.0
107.08598	15.9
109.06538	39.3
109.10156	15.5
111.04430	4.2
111.08076	4.8
115.07573	11.5
119.08581	14.8
120.00896	2.4
121.06487	4.0
121.10159	27.5
123.04439	87.1
123.08070	3.7
123.11684	3.9
124.04773	40.6
125.09625	3.6
127.03930	3.1
131.08574	10.9
133.10132	44.4
135.08080	7.7
135.11682	6.4
137.06061	2.3
137.09610	7.7
139.03914	73.7
140.04247	47.1
143.08560	3.3
145.04984	4.9
145.10088	3.3
147.04407	4.5
147.11693	32.3
148.04759	4.3
149.09631	3.2
149.13287	9.0
151.03944	3.6
151.11208	6.9
153.09113	13.4
161.09607	10.8
163.11218	3.8
163.14830	7.5
165.09076	8.6
165.12794	5.6
173.13275	25.1
178.09889	4.3
181.08578	17.0
191.14310	50.2
197.11842	2.9
202.15831	2.5
206.10744	2.5
207.10095	6.8
209.11819	7.1
209.15373	84.4
220.16869	3.1
227.13017	23.0
227.16418	100.0
252.19511	5.1
259.11157	7.5
273.07651	3.5
274.07895	9.8
312.10724	2.9
346.10986	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02867	0.7
52.83553	0.8
53.03956	1.5
53.98045	0.9
55.05518	20.4
56.96555	1.9
57.07069	1.1
59.04993	1.3
61.02919	1.0
61.06121	0.9
67.05517	5.9
69.03429	5.2
69.07072	2.1
69.37566	3.4
69.37999	3.4
71.04989	2.9
76.02219	1.0
79.05505	4.1
79.76100	0.9
81.03430	2.2
81.07065	10.2
83.04991	10.0
83.08623	16.3
84.04501	1.9
85.02917	9.5
85.06550	3.0
86.03203	0.9
91.05479	3.7
91.31382	0.8
92.17723	0.9
93.07051	7.2
95.04968	2.9
95.08620	7.6
97.02892	3.9
97.06539	4.2
97.10174	3.8
98.97577	2.1
99.04432	2.7
99.08124	1.0
105.07044	7.6
107.08611	12.7
109.06529	2.1
109.10166	10.3
111.04422	1.6
111.08086	3.3
113.09603	1.1
117.07030	0.9
119.08594	6.8
121.06546	1.1
121.10149	8.7
123.08082	1.3
123.11722	6.5
125.09628	3.7
127.03930	3.4
127.07526	1.5
129.74556	0.9
129.94005	0.9
131.08620	1.9
133.10138	6.0
135.08078	2.4
135.11667	2.2
139.03915	2.0
145.04974	1.6
145.10121	1.5
147.11696	8.0
149.13266	5.3
151.03804	0.9
151.11201	24.0
153.09064	1.2
159.11693	2.4
161.13309	2.1
162.02187	1.2
163.11198	1.2
163.14908	2.2
167.14339	20.7
171.80414	1.1
173.13277	2.6
176.59462	0.9
179.14330	1.5
187.14812	1.0
189.91209	0.9
191.10715	1.0
191.14354	5.0
197.15463	1.0
203.17950	2.0
208.16898	0.9
209.06082	1.0
209.15385	100.0
210.15752	1.8
211.09718	1.5
215.05698	1.3
219.01654	1.8
225.04260	1.4
227.07010	1.3
227.16408	3.5
243.05399	1.5
249.04453	1.2
259.11151	3.8
267.05414	3.7
285.06479	5.6
294.89835	1.1
296.08252	2.9
299.75067	1.0
303.07471	2.3
309.06473	1.8
327.07556	1.9
348.99765	1.1
407.20624	1.4
411.09610	3.1
429.10663	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95011	3.1
55.01868	4.3
55.05514	13.4
56.05037	6.6
56.70047	3.3
57.03447	8.2
57.07080	4.1
58.99586	10.3
61.08374	3.7
67.05500	13.2
69.03440	10.7
69.07060	8.3
69.87795	9.0
69.88193	8.2
71.04975	8.1
76.02228	15.9
79.05496	16.7
81.07063	31.9
83.04997	16.6
83.08619	10.4
84.04512	25.9
85.02916	20.7
85.06554	35.3
86.00674	3.7
86.99059	5.1
87.02732	4.1
91.05486	14.2
93.07048	12.7
95.04976	14.0
95.08609	12.7
97.06542	10.3
98.09706	9.9
99.04459	6.6
99.08081	10.3
102.05536	4.3
105.07053	19.6
107.08604	24.1
109.02862	5.9
109.06516	21.9
109.10159	15.8
111.08080	6.5
112.03992	4.2
116.01680	16.7
116.07185	3.3
116.65607	3.0
119.08558	15.2
121.06490	6.8
121.10146	27.9
121.95953	3.3
123.08045	5.8
123.11720	9.1
125.09614	4.4
129.06612	4.3
130.05022	6.3
130.06894	6.7
131.08582	29.3
133.10143	43.4
135.08058	7.6
135.11708	5.3
144.01169	6.3
145.10118	14.7
147.11713	11.9
149.09578	20.3
149.13260	13.5
151.11142	17.9
153.09094	8.6
156.08408	16.7
156.10243	9.8
157.06815	8.2
162.02248	18.4
163.11208	8.9
165.09189	4.4
167.10764	12.9
167.14305	16.7
173.09717	7.5
173.13297	31.0
174.09538	9.4
175.14861	8.2
179.04843	6.6
191.10645	25.3
191.14328	26.4
208.34781	3.4
209.11853	40.2
209.15370	96.9
210.11404	4.0
227.12798	63.4
227.16400	12.6
259.11139	100.0
259.41367	3.9
259.61594	3.7
313.12262	5.2
331.13174	4.2
388.08224	3.9
406.16211	6.4
406.22855	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	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.01859	2.3
55.05511	10.9
56.05031	1.1
57.03439	2.5
57.07064	4.6
58.99588	1.3
60.45628	1.0
60.73903	1.1
61.02901	1.5
67.05502	4.8
69.03432	6.9
69.07076	7.0
69.80855	2.8
69.81248	2.3
70.06595	1.7
71.04983	2.1
76.02232	2.4
79.05489	8.1
81.03443	1.6
81.06588	1.9
81.07062	29.9
83.04993	32.8
83.08620	8.6
84.04501	3.8
85.02903	11.9
85.06549	3.7
89.23363	1.0
90.88110	1.1
91.05478	4.7
93.07059	12.8
95.04987	4.6
95.08609	11.1
97.02887	3.5
97.06541	7.4
97.10172	2.9
98.09684	1.4
98.21418	1.6
98.97662	1.0
99.04472	2.5
99.08145	1.5
105.07073	6.1
107.08606	34.8
109.02882	2.0
109.05808	2.3
109.06531	37.2
109.10154	10.5
111.08092	13.5
112.03976	1.2
113.06049	2.9
115.07593	1.7
116.01676	3.9
119.08591	4.4
121.06554	1.5
121.10159	42.4
123.08086	5.5
123.11709	6.7
125.09647	12.6
127.03934	3.1
127.07563	4.7
130.05063	1.6
131.08569	2.7
133.10146	19.9
135.08067	9.1
135.11700	12.6
137.05943	1.0
137.09621	3.7
137.13278	5.9
139.07556	1.5
144.01120	1.3
145.04971	3.3
145.10115	2.0
147.11668	3.7
149.13258	14.9
151.11159	5.5
153.09120	24.0
156.08424	2.6
156.10275	2.3
162.02242	2.4
163.14841	22.4
165.12520	1.2
167.10684	2.1
167.14369	6.1
171.10260	1.7
173.13280	8.2
174.09575	1.2
181.15891	10.1
188.73837	1.1
191.14331	39.6
209.15387	100.0
210.15700	1.2
227.16429	3.7
259.11148	15.7
278.19162	1.2
315.14429	1.5
331.13412	1.4
356.54337	1.1
371.20776	2.2
383.28394	1.2
406.17462	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.5
55.05493	7.3
57.07078	3.4
67.05511	3.0
69.03420	3.9
69.07057	7.0
71.04978	3.3
71.46315	3.4
79.05495	6.0
79.18455	2.3
81.07057	19.0
81.71056	2.2
83.04964	3.9
83.08620	6.6
85.02905	14.2
85.06532	3.9
91.05472	5.9
93.07050	16.8
94.07327	2.3
95.04966	18.5
95.08599	10.4
97.02871	3.1
97.06533	20.4
99.04462	2.6
99.08086	4.7
105.07037	19.0
107.08583	16.7
109.06523	45.4
109.10165	15.0
111.08063	3.5
115.07587	8.6
119.08579	11.2
121.10143	23.2
123.08075	5.7
123.11694	4.9
127.07547	4.0
131.08578	11.9
133.10138	49.3
135.08014	8.1
135.11676	6.8
137.09605	3.4
139.11250	2.9
145.10152	4.6
147.11687	32.4
149.09540	2.8
149.13257	6.2
151.11124	6.4
153.09122	13.6
161.13341	2.1
163.14836	8.5
165.12834	5.1
171.10201	3.6
173.13258	22.6
191.14296	41.5
206.69177	2.4
209.15364	93.4
227.16417	100.0
259.11145	5.5
326.27234	2.3
407.39172	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67674	1.1
50.84690	1.2
55.05513	10.3
58.24899	1.1
59.04992	1.4
67.05486	2.7
69.03446	1.9
69.07060	2.2
70.07407	1.3
71.04977	3.8
71.08675	2.1
79.05483	1.3
81.03421	1.9
81.07052	3.5
83.01039	1.0
83.04974	8.4
83.08620	10.6
83.99246	1.2
85.02896	3.8
91.05436	1.7
93.07050	3.2
95.04971	62.6
95.08626	2.2
96.74615	1.1
97.06519	1.9
97.10174	3.2
99.04458	10.6
105.07012	1.6
107.08595	5.1
108.35474	1.1
109.06517	1.3
109.10159	5.6
111.08100	2.9
119.08545	1.2
121.10184	2.8
123.11681	1.9
125.09602	2.8
131.08519	1.3
133.10138	6.2
137.39403	1.3
147.11644	1.8
149.13237	2.3
151.11203	16.6
153.09103	12.2
164.07001	1.3
167.14305	17.8
173.13300	2.3
174.93700	1.2
181.12309	1.7
191.14339	3.4
209.15372	100.0
227.16380	2.4
371.20651	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.05512	0.6
57.03444	1.0
61.02914	1.5
61.43385	0.4
62.79025	0.4
65.55247	0.4
67.05513	2.4
69.03438	2.7
69.07079	3.0
70.13806	1.1
71.05002	4.6
79.05486	1.4
81.03427	1.1
81.07062	3.8
83.04984	0.8
83.08610	0.7
85.02906	7.8
85.06529	0.9
91.05474	1.5
93.07049	7.9
95.04964	1.7
95.08603	3.1
97.02888	1.7
97.06524	1.8
98.20899	0.5
99.04462	0.8
99.08090	1.6
105.07041	3.3
107.04997	0.4
107.08601	11.5
109.02873	0.8
109.06532	2.6
109.10162	15.7
111.08086	0.4
119.08559	2.2
121.06474	0.7
121.09336	0.8
121.10151	11.8
123.08053	1.0
123.11674	1.3
127.03907	1.0
127.11165	1.7
131.08537	1.5
133.10133	5.3
135.08060	27.8
135.11691	1.6
139.03900	0.4
139.11148	1.2
145.04941	1.2
145.10143	1.0
147.11719	3.5
149.09628	1.3
149.13271	15.5
151.11177	1.9
153.09126	1.2
161.13280	1.4
163.11211	0.6
163.14844	2.1
165.12730	1.3
173.13274	6.0
179.14294	1.6
187.76158	0.4
191.14308	16.9
197.15388	1.2
209.15375	100.0
210.15640	1.1
223.92546	0.4
227.16440	15.4
236.14369	0.5
243.08752	0.4
259.11087	0.9
328.13599	0.8
406.16599	0.5
414.59735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90404	0.8
55.01877	1.3
56.05042	1.0
57.03452	1.1
58.99581	1.9
67.05503	0.9
69.79020	3.0
70.06592	1.3
76.02240	1.9
79.05509	5.1
80.32238	0.8
81.03450	0.8
81.07054	2.8
82.06597	1.5
84.04521	2.5
85.02917	2.4
91.05488	2.3
91.71202	0.9
93.07051	9.9
97.06549	1.0
98.09704	2.0
105.07011	0.9
107.08585	1.2
109.06552	0.8
111.04477	0.8
111.08098	1.0
116.01700	3.1
121.06514	16.0
121.10159	1.5
123.04436	0.8
123.08097	7.3
131.08583	4.5
139.07553	15.4
147.04459	1.3
149.05975	6.9
149.09639	1.8
156.08415	2.0
156.10274	1.2
157.06816	1.2
162.02203	2.5
163.07510	0.9
167.07056	100.0
168.07394	0.9
179.04849	1.0
185.08154	1.6
191.10699	1.8
199.09676	88.4
205.96745	0.8
209.11714	6.0
227.17465	1.0
233.13800	0.8
259.11151	12.0
265.99002	0.8
358.43622	0.9
406.13605	4.3
427.22607	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45974	0.3
62.04210	0.4
66.45598	0.4
67.05528	0.4
70.66302	0.9
70.66665	0.8
79.05470	0.4
91.05505	0.8
93.07044	0.8
95.08631	0.6
105.07029	0.8
106.04258	0.4
107.04932	0.8
107.08585	0.5
109.06427	0.4
117.07029	0.5
119.04964	0.7
119.08593	0.7
121.06514	2.3
123.08128	0.4
133.02892	1.0
134.07285	0.7
135.08044	1.9
136.05177	0.9
139.03885	0.9
146.07265	0.8
147.04434	2.1
147.08038	1.5
148.05238	0.5
149.05978	0.7
149.09702	0.8
151.04010	0.6
151.07603	2.8
153.05498	1.9
153.09125	0.4
161.06007	0.7
162.06839	2.4
163.07542	3.1
165.05528	1.9
166.06259	3.2
168.07828	7.0
177.09177	2.1
178.09914	11.7
179.07050	4.8
179.10587	0.5
181.08617	16.0
191.14133	0.5
194.09398	12.6
207.89285	0.4
209.11746	100.0
210.12109	1.5
227.16438	0.5
240.52161	0.5
310.53403	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85799	1.6
55.01882	3.1
55.05521	3.0
56.05026	5.2
57.03429	5.8
57.51022	1.6
58.99597	10.1
67.05518	9.1
68.05056	1.9
69.03427	4.1
69.07057	3.9
71.04991	9.1
71.41528	1.5
71.46923	1.8
72.24215	1.9
72.74719	1.8
74.00645	2.0
76.02245	20.1
79.05509	13.3
81.07067	24.9
82.07442	2.3
83.04974	3.2
84.04051	2.1
84.04513	23.7
85.01116	2.3
85.02899	13.5
85.06556	59.4
86.00638	3.4
86.99030	5.2
87.02708	3.9
91.05478	11.3
93.07054	9.7
95.04950	3.1
95.08586	4.6
97.02884	6.6
97.06521	3.7
98.09692	10.3
99.08091	7.6
99.64137	2.0
102.05553	5.0
105.07034	13.7
107.04959	2.9
107.08593	14.0
109.06516	7.6
111.04438	7.5
112.03970	5.2
113.04218	4.0
116.01691	20.1
117.07022	2.5
119.08572	10.5
121.06509	8.2
121.10165	9.6
123.08064	3.5
127.03902	3.1
129.06610	1.7
129.07056	1.6
130.05032	10.0
130.06871	4.4
131.07608	2.3
131.08585	43.3
133.10149	53.1
135.08020	5.1
135.11653	2.5
137.05965	2.5
137.09593	3.1
142.03204	2.6
143.08626	1.8
144.01149	6.7
145.06340	2.2
145.10136	20.8
147.08011	3.0
147.11612	2.9
149.09647	36.5
156.08430	19.1
156.10222	9.4
157.06825	7.7
158.10902	3.9
162.02219	24.3
163.11214	13.4
165.09146	6.8
167.10698	25.1
173.09631	5.2
173.13260	14.0
174.09479	12.3
179.04890	13.9
179.10661	1.8
191.10687	41.3
191.14311	31.2
209.11761	50.6
209.15344	19.4
210.11223	2.5
216.06917	7.6
227.12804	97.7
233.05899	2.2
259.11145	100.0
260.09525	2.0
277.12180	3.6
285.12549	2.7
313.12170	4.1
331.13260	3.9
406.16312	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	406.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
55.05511	1.9
56.05048	6.5
57.03447	4.1
58.99595	9.6
69.07063	1.5
69.81448	1.5
69.81866	2.7
70.02943	1.1
71.04969	0.9
73.01151	1.9
74.00691	1.6
76.02235	18.5
76.04005	1.3
79.05518	4.2
81.07066	15.7
83.06097	1.7
84.04515	23.1
85.01128	2.6
86.00664	4.3
86.99069	5.0
87.02693	6.3
88.02219	1.9
90.30868	0.7
93.07060	1.6
94.06564	1.1
95.08594	2.6
97.01114	0.9
97.06535	1.7
98.09711	10.8
98.21481	0.9
99.08105	4.9
102.05559	5.7
105.07042	1.9
107.08627	1.1
110.09682	2.6
112.03992	3.9
113.04249	6.3
114.03804	0.9
115.05801	2.3
116.01688	18.3
121.10152	0.9
122.09715	1.5
123.08117	1.4
125.65569	0.7
127.05827	1.3
129.06590	3.2
129.07422	0.8
130.05009	7.1
130.06895	3.7
130.08670	1.4
131.08589	8.7
139.05766	1.8
142.03262	1.7
144.01189	8.4
145.06013	1.4
145.10124	1.7
149.09627	2.9
156.08443	20.4
156.10219	12.7
157.06859	8.6
162.02217	21.6
163.11186	1.5
174.09494	10.6
179.04918	8.2
191.10681	2.5
209.11760	13.6
210.11255	2.8
215.04884	1.1
216.06920	7.4
233.05928	1.1
259.11157	100.0
260.09335	1.2
277.12097	1.7
285.12683	2.3
293.41959	0.8
308.09348	0.8
313.12198	4.3
331.13318	6.6
343.13168	0.9
388.15347	2.2
406.16422	6.4
417.22119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.7
55.05505	3.5
56.05028	5.1
57.03430	7.3
57.07072	2.2
58.99582	6.1
66.17923	1.6
67.05497	7.6
69.03419	6.6
69.07066	3.8
70.84870	1.5
70.97559	3.8
70.97897	1.6
71.04992	8.6
76.02236	16.8
79.05505	10.7
81.07060	16.2
83.04989	2.7
84.04516	17.4
85.02908	18.0
85.06549	54.5
86.00639	3.3
86.99044	3.2
87.02703	4.5
91.05475	6.2
93.07030	7.6
95.04977	4.1
95.08601	5.8
97.02893	3.2
97.06508	4.0
98.09697	8.0
99.08109	8.2
102.05562	3.5
105.07031	9.9
107.04927	4.0
107.08592	12.2
109.06504	5.8
109.10149	1.9
111.04440	7.6
112.03982	2.3
113.04211	6.7
116.01685	18.2
117.07011	2.1
119.08585	8.8
121.06493	9.1
121.10200	9.3
123.02146	1.5
127.03945	2.8
129.06964	3.1
130.05013	5.2
130.06842	3.1
131.08578	37.1
133.10139	48.3
135.08034	3.1
135.11720	1.7
137.09616	3.3
142.03214	1.9
144.01134	7.2
145.10139	14.5
147.11789	2.4
149.09627	30.7
156.08438	14.8
156.10187	5.6
157.06816	7.8
162.02229	20.9
163.11153	12.8
165.09079	5.3
167.10693	19.3
173.09668	3.4
173.13272	16.0
174.09457	10.9
174.73096	1.6
179.04842	9.8
191.10675	35.5
191.14311	32.3
209.11736	47.6
209.15329	18.1
210.11349	3.1
215.04854	2.3
216.06941	5.2
227.12796	100.0
254.86914	1.8
259.11148	83.5
313.12180	3.2
331.13190	5.7
406.16492	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	405.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23603	0.7
53.17255	0.8
54.63115	0.9
54.79523	0.9
55.01872	4.7
55.05508	7.8
57.03432	5.3
57.07067	3.3
58.85159	1.0
67.05523	4.3
69.07078	9.6
69.94825	3.7
71.08625	2.3
79.05495	2.6
81.07063	6.9
83.08616	6.4
91.05471	0.8
93.07054	4.9
93.34773	0.9
95.08619	4.3
97.06518	1.2
97.10170	3.5
98.21497	1.3
105.07048	1.9
107.08602	2.6
109.10139	2.6
111.11716	2.4
113.00023	100.0
121.10155	5.1
124.69069	0.8
132.08026	0.9
133.10130	1.3
135.11694	2.8
145.10107	1.3
147.11691	0.8
149.13254	1.2
154.02649	1.4
155.08466	0.8
159.11697	1.1
169.02618	91.5
173.13290	1.2
219.21060	1.4
237.22102	7.4
390.44006	1.0
405.34805	4.5
415.76129	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96844	2.7
53.03944	4.3
55.05501	7.1
63.92298	2.3
67.05498	6.8
67.37515	2.2
69.07066	11.4
69.89577	12.0
77.12292	2.7
79.05489	28.0
81.07059	100.0
83.04984	18.1
83.08614	3.8
91.05482	20.7
93.07049	23.0
95.05008	5.5
95.08603	25.7
97.06518	4.0
105.07037	37.9
107.08595	19.0
109.10150	12.2
117.07046	3.7
119.08590	22.1
121.06526	3.1
121.10158	11.7
129.06987	8.1
131.08582	16.1
133.10136	18.3
135.08125	3.0
135.11719	4.3
141.06993	3.2
142.07761	5.3
143.08566	12.3
145.10126	20.8
147.08029	3.1
147.11705	9.1
149.09612	2.8
149.13239	5.9
156.09370	3.2
156.87891	2.7
157.10161	9.1
159.11665	16.7
161.13289	5.7
163.14816	2.8
169.10143	12.6
171.11726	13.4
173.13258	7.6
175.14771	3.9
183.11649	6.5
185.13283	8.9
187.14819	5.7
197.13322	5.4
199.14902	5.8
201.16481	7.0
211.14845	11.2
225.16406	3.0
227.18019	6.5
229.15927	7.2
267.20996	17.8
285.22150	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3727
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.05498	6.2
56.09079	1.3
57.07073	8.2
67.05470	1.8
69.07075	9.5
71.08627	6.7
71.09446	3.2
81.07040	2.1
83.01342	9.3
83.08603	3.9
85.10162	2.0
91.05464	2.0
93.07050	5.7
94.32614	1.4
95.08566	4.6
97.06507	2.3
97.10158	3.7
106.47836	1.5
107.08574	3.8
109.10152	1.6
111.08077	5.4
121.10167	3.5
123.08070	4.0
125.05997	4.3
125.09601	3.3
127.07585	2.4
133.15083	1.4
135.11746	1.9
139.07541	20.1
139.11179	2.7
149.13338	2.2
151.11177	4.3
153.09102	6.1
153.12689	2.4
167.10666	7.3
168.56757	1.6
181.12193	9.9
195.13806	7.9
209.15408	4.0
223.16989	4.8
237.18433	2.1
254.53200	1.5
279.23166	3.1
293.24753	1.6
307.26382	1.6
405.37283	100.0
406.37842	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.4
55.01874	11.7
57.03430	7.8
61.02919	7.0
68.99778	4.2
69.03432	37.8
70.06592	2.7
71.04979	5.3
71.52390	2.5
73.02908	11.4
76.02229	5.8
81.03423	30.9
81.07051	4.7
83.53556	2.1
84.04504	7.9
85.02910	100.0
86.09705	5.6
87.00829	37.3
87.64961	2.3
91.03912	2.5
91.05474	3.2
93.07062	2.3
97.02893	37.2
98.97601	2.9
99.04472	13.3
103.03954	7.1
105.01871	31.8
105.07013	2.7
107.04959	3.0
107.08580	2.5
108.04464	7.6
109.02885	59.4
110.84552	2.3
116.01682	3.8
117.01871	4.2
119.04933	4.5
126.05510	3.0
127.03927	74.7
129.01813	6.4
131.08527	3.7
133.02896	4.8
135.04440	2.9
141.05446	9.2
145.04968	40.1
145.10062	3.2
147.02879	5.1
147.04407	17.1
149.09619	3.1
159.02907	20.5
162.02193	3.8
163.03841	4.8
165.05484	10.9
167.07080	5.2
174.09538	2.2
177.05421	3.6
183.06619	2.8
189.03923	8.4
191.10460	2.6
199.09662	5.7
207.06529	12.0
209.11777	7.9
209.15331	3.1
213.03938	4.5
230.06564	3.2
231.04738	12.2
231.06944	2.9
248.07750	5.5
249.07607	10.9
259.11075	20.7
270.05548	3.2
328.32776	2.6
406.14008	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	405.1547
Annotation	Nitidanin
Peak:m/z	Relative Intensity
53.00299	0.8
55.01865	2.8
55.05498	1.8
55.53522	0.8
57.03426	1.4
61.38908	0.7
63.54724	0.7
65.03907	1.2
67.05488	2.3
68.99802	1.6
69.03441	0.8
69.07068	2.1
71.04979	1.3
71.54821	1.3
73.51080	0.7
79.05467	2.2
81.03424	1.5
81.07043	1.8
83.04935	0.9
83.86993	0.7
85.02894	2.3
86.09673	0.7
91.05469	3.2
93.07050	1.7
95.04943	4.2
95.08587	2.3
95.65275	0.7
97.02884	1.3
97.06532	4.3
99.04449	1.0
103.05476	1.2
103.78888	0.6
105.07029	1.4
107.04945	2.4
107.08598	1.1
109.02884	4.0
109.10181	1.5
111.04430	1.1
115.05414	1.0
119.08569	2.7
120.08888	1.5
121.02892	1.0
121.06507	1.3
123.04427	4.6
125.06033	0.9
127.03926	1.4
131.04933	1.9
133.06458	0.8
133.10104	1.0
135.04434	5.5
139.03905	100.0
140.04243	1.9
145.02856	0.9
145.10043	1.2
147.04379	2.8
147.11775	0.9
149.05991	1.8
151.03909	31.2
151.53906	0.8
153.01785	1.4
153.05467	1.7
153.12787	1.5
159.04454	3.2
161.05988	1.6
163.03902	25.2
165.05492	1.9
165.09129	1.0
167.07042	2.0
169.04958	2.8
174.06921	0.7
175.03973	1.4
176.04681	3.1
177.05492	10.7
177.09068	1.2
177.12740	1.2
178.13095	1.4
179.03410	0.9
179.07013	1.1
181.04945	14.2
181.08575	2.6
189.05487	16.7
191.07133	1.2
193.04997	1.4
193.08611	42.4
195.06514	3.4
195.13722	1.2
205.05013	2.0
205.08646	2.6
207.06551	3.2
209.15340	2.5
210.66852	0.9
211.08690	1.8
219.10141	17.5
219.12230	0.9
223.05992	2.4
225.06651	0.9
226.15311	1.0
229.08594	2.5
231.10152	3.5
237.11296	7.9
239.08125	2.5
245.12877	2.3
247.06056	1.2
249.11227	0.9
267.07654	1.0
271.10925	0.9
281.09030	1.4
299.10257	2.3
301.06998	3.9
307.08145	0.8
309.08560	2.6
319.08060	2.3
327.09543	5.0
329.11044	0.9
343.11722	4.7
345.10529	10.6
361.12772	9.3
369.13348	4.9
373.10413	5.7
387.14590	6.9
405.15186	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13019	0.6
55.05501	0.7
67.05502	1.8
68.65654	0.6
69.03426	3.4
69.07063	1.1
70.51222	1.7
71.04976	1.0
79.05479	1.7
81.03416	0.8
81.07056	1.4
82.05688	0.5
83.04975	1.7
83.26941	0.6
84.76608	0.6
85.02912	4.4
87.04470	0.6
93.07046	1.3
95.04967	2.1
95.08619	3.4
97.02895	2.0
97.06526	5.4
98.06875	1.0
98.39113	0.5
99.04467	1.0
99.08150	0.5
101.53310	0.5
105.07018	2.2
107.08585	2.5
109.02882	0.9
109.06519	2.1
109.10153	0.8
111.04455	1.3
111.08078	1.1
119.08585	1.5
121.06538	1.0
121.10126	4.4
123.08067	100.0
124.08405	0.7
127.03868	0.6
133.10155	1.7
135.11748	1.1
139.03937	3.4
140.04280	2.1
145.04985	0.7
145.10146	0.9
147.08005	0.7
147.11684	1.1
149.08572	0.5
149.09644	2.2
151.11182	2.1
161.13292	1.8
163.03902	0.7
163.11212	2.1
167.10667	1.3
171.11703	0.7
175.05991	1.5
179.14337	1.1
181.12239	9.6
189.12750	2.4
207.13843	6.4
212.13712	1.2
225.14853	14.7
235.09711	0.8
236.10075	1.2
252.11784	0.5
284.06567	0.7
309.08762	0.7
345.10736	0.8
368.08569	1.3
373.10278	1.0
404.13818	0.7
427.55771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1182
Annotation	Chalconaringenin 2'-xyloside
Peak:m/z	Relative Intensity
53.03955	1.1
55.01880	0.8
55.05502	0.5
65.03936	0.7
67.05509	1.1
68.83588	0.4
68.99787	1.2
69.03426	1.1
71.53040	0.6
71.80897	0.5
75.83824	0.5
81.07036	0.6
83.04992	1.0
85.02916	1.1
87.04485	0.6
91.05492	0.8
93.03420	0.8
95.04975	1.0
97.06566	0.6
105.03392	1.4
111.04438	3.3
119.04961	2.2
121.47059	0.5
123.04434	98.3
124.04789	0.7
135.04456	0.5
139.03908	100.0
140.04286	0.8
147.04419	8.9
150.27463	0.5
151.03917	5.6
151.07539	0.7
161.06035	0.7
163.03975	1.3
163.07610	0.5
165.05510	3.6
190.13068	0.5
197.07240	0.6
207.13669	0.6
208.14142	0.8
211.08650	1.0
225.06564	0.6
225.10220	0.7
239.08191	1.3
245.12894	1.9
253.09694	1.8
267.07462	0.9
267.89212	0.5
271.10745	0.8
273.07590	8.9
281.09213	1.7
291.08359	0.5
291.32913	0.5
299.10123	1.8
306.42450	0.6
309.08542	2.3
327.09863	3.5
345.10815	5.9
355.09207	1.0
367.67001	0.5
373.10242	3.8
405.12729	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.05505	4.2
58.87709	2.3
65.03937	2.7
67.05504	4.2
67.56459	2.5
68.99805	2.3
69.03436	12.4
69.07057	7.5
70.06592	5.8
70.50829	5.1
70.51161	2.9
75.40249	2.2
79.05489	10.6
81.03397	3.8
81.07047	6.2
83.04964	6.6
85.02890	11.6
86.09692	4.3
91.05490	16.3
93.07057	11.2
95.04948	11.1
95.08607	10.3
97.02888	7.0
97.06532	2.0
99.04442	4.5
105.01888	3.2
105.07040	100.0
107.04962	95.6
107.08606	18.3
109.02816	3.1
109.06504	3.8
109.10159	2.7
115.05421	2.4
117.07003	6.4
119.04927	2.7
119.08588	61.0
121.06548	11.9
121.10172	12.9
123.04418	6.6
123.08060	8.7
127.03922	7.6
128.06223	2.7
131.08594	5.6
132.48428	2.1
133.06500	26.1
133.10127	17.3
135.08017	6.7
135.11664	5.3
137.13251	2.3
138.88220	2.2
139.03918	25.7
140.04256	13.0
143.08540	5.7
144.67058	2.1
145.04932	5.1
145.10129	26.1
147.08044	6.6
147.11699	27.2
149.09615	6.5
150.65048	2.4
151.07593	2.7
156.09337	10.1
159.11697	6.4
161.13271	91.4
163.03891	5.4
163.09842	3.8
163.11166	35.3
164.04225	2.2
165.09258	2.4
165.12787	4.4
167.06950	2.5
171.11694	17.8
174.10405	4.8
177.05472	3.2
179.14316	26.8
185.05725	2.4
189.12762	95.7
191.14310	21.1
207.11946	3.9
207.13834	73.5
215.95975	2.2
231.05034	2.3
237.07335	2.3
242.17761	3.3
368.12448	4.0
386.12610	3.5
401.41803	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	403.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.05516	18.2
57.07057	3.2
61.34628	2.6
63.75467	2.9
67.05513	20.2
69.03437	5.4
69.07056	11.7
70.21038	5.1
70.21404	9.6
79.05495	24.3
81.07066	49.6
83.04993	5.0
83.08623	5.1
91.05482	23.8
93.07053	34.6
95.04974	9.0
95.08611	23.1
97.06545	38.5
98.21648	2.5
99.08119	20.2
102.55572	2.5
105.07049	49.7
107.08605	34.2
109.06517	7.4
109.10161	13.6
111.08116	2.9
115.05434	5.1
117.06306	2.7
117.07006	15.0
117.62133	2.3
119.08598	33.3
121.06522	17.0
121.10143	12.4
123.08059	5.5
123.11712	6.7
128.06232	13.7
129.01833	6.3
129.07022	25.1
131.08600	46.1
133.10152	20.9
135.08093	7.4
135.11736	6.9
137.09680	3.6
139.00261	2.5
141.06996	8.6
142.07750	13.4
143.08571	100.0
143.09720	5.3
144.09416	4.1
145.06502	5.2
145.10126	39.7
147.08096	9.2
147.11687	14.0
149.09668	4.4
153.06985	4.2
155.08560	21.5
156.09344	10.9
157.01503	2.9
157.10139	53.4
159.08095	4.5
159.11739	25.3
161.09665	5.5
161.13255	5.2
165.06993	5.1
166.07750	3.6
167.08566	11.6
168.09343	8.7
169.10129	22.0
170.10902	9.7
171.07921	6.2
171.11703	31.6
172.12234	3.6
173.13278	10.8
175.11183	6.4
175.14902	6.3
179.08553	7.5
180.09326	6.7
181.10153	16.8
182.10918	5.0
183.11693	27.9
184.12474	3.8
185.09613	6.1
185.13283	48.8
187.11232	5.1
187.14819	13.8
189.12788	3.4
193.10112	4.5
194.10918	8.5
195.11705	20.9
196.12482	3.7
197.13277	11.3
198.10449	2.8
199.11166	6.8
199.14836	27.8
201.12685	6.7
201.16371	4.5
203.14458	3.5
208.12546	3.7
209.13261	30.2
211.14876	12.8
213.12817	6.7
213.16391	18.9
221.13268	3.4
223.14853	13.8
225.16386	23.2
227.14328	30.5
237.16356	2.9
239.17940	5.9
241.15945	6.1
241.19476	13.3
255.21104	11.2
265.19632	20.7
283.20587	35.4
301.21719	12.9
343.22733	5.7
403.13693	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	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13019	0.6
55.05501	0.7
67.05502	1.8
68.65654	0.6
69.03426	3.4
69.07063	1.1
70.51222	1.7
71.04976	1.0
79.05479	1.7
81.03416	0.8
81.07056	1.4
82.05688	0.5
83.04975	1.7
83.26941	0.6
84.76608	0.6
85.02912	4.4
87.04470	0.6
93.07046	1.3
95.04967	2.1
95.08619	3.4
97.02895	2.0
97.06526	5.4
98.06875	1.0
98.39113	0.5
99.04467	1.0
99.08150	0.5
101.53310	0.5
105.07018	2.2
107.08585	2.5
109.02882	0.9
109.06519	2.1
109.10153	0.8
111.04455	1.3
111.08078	1.1
119.08585	1.5
121.06538	1.0
121.10126	4.4
123.08067	100.0
124.08405	0.7
127.03868	0.6
133.10155	1.7
135.11748	1.1
139.03937	3.4
140.04280	2.1
145.04985	0.7
145.10146	0.9
147.08005	0.7
147.11684	1.1
149.08572	0.5
149.09644	2.2
151.11182	2.1
161.13292	1.8
163.03902	0.7
163.11212	2.1
167.10667	1.3
171.11703	0.7
175.05991	1.5
179.14337	1.1
181.12239	9.6
189.12750	2.4
207.13843	6.4
212.13712	1.2
225.14853	14.7
235.09711	0.8
236.10075	1.2
252.11784	0.5
284.06567	0.7
309.08762	0.7
345.10736	0.8
368.08569	1.3
373.10278	1.0
404.13818	0.7
427.55771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
54.26502	1.5
55.05515	7.4
57.07065	2.0
59.67408	1.4
61.17403	1.3
65.03941	2.0
67.05507	14.0
69.03436	2.3
69.07059	7.2
69.97149	1.4
70.06587	2.2
71.04968	2.3
76.55314	1.6
79.05064	2.6
79.05495	29.7
81.07059	100.0
83.04948	2.5
83.08561	1.7
83.21515	1.4
88.07641	2.3
91.05479	16.2
93.07048	24.3
95.04976	24.9
95.08608	25.3
95.17102	1.5
97.06518	3.6
99.04491	3.1
105.07028	27.9
107.04964	2.0
107.08593	26.5
109.06503	5.6
109.10158	11.4
111.08028	2.0
113.05995	4.3
115.05530	1.9
117.07010	6.1
119.08589	25.3
121.06508	8.5
121.10132	15.2
121.59471	1.5
123.08085	13.9
123.11707	3.9
129.01866	2.6
129.07005	4.2
130.07759	1.8
131.08569	20.3
133.06499	3.6
133.10138	17.9
135.08037	7.8
135.11690	6.6
137.05948	2.2
137.09596	6.1
137.13242	2.4
139.07448	2.2
139.11153	1.4
140.22668	1.6
142.07774	4.4
143.08546	15.4
145.10136	21.2
146.10941	1.6
147.08060	6.4
147.11687	10.3
149.09613	4.4
149.13275	8.0
151.07532	7.3
155.08542	4.3
156.09340	2.7
157.10135	16.8
159.08054	2.1
159.11713	13.2
161.09645	7.1
161.13266	10.9
165.09077	2.7
167.08607	2.1
169.10115	5.8
171.11691	10.3
173.09673	3.5
173.13223	10.5
175.11162	5.4
175.14833	5.1
181.10150	2.5
183.11674	5.6
184.12451	1.9
185.09622	1.7
185.13280	7.6
187.11183	5.4
187.14838	4.1
189.12752	2.7
189.16348	2.4
195.11678	2.5
197.13301	4.3
199.11176	2.2
199.14839	10.2
201.12694	3.5
201.16377	3.1
203.14423	3.3
209.13216	2.7
210.14268	1.6
211.14828	4.6
213.12755	3.5
213.16351	5.7
225.16379	3.0
227.14314	4.2
229.13501	2.1
229.15681	1.7
241.19487	4.8
243.17271	2.3
255.21025	6.1
265.19394	4.5
278.90210	1.6
283.20602	31.0
301.21750	12.4
341.36212	6.0
343.22687	80.2
370.64423	1.7
403.13901	3.1
403.39874	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	403.1028
Annotation	Isomollupentin
Peak:m/z	Relative Intensity
50.30163	0.7
55.01862	3.2
57.03425	1.2
57.26223	0.9
61.02927	1.0
63.59292	0.7
67.05487	2.2
68.99792	2.0
69.03429	2.3
69.07057	2.5
71.53976	0.7
79.01843	2.1
79.05491	3.2
81.03417	2.1
81.07046	2.8
85.02905	2.8
91.05466	2.4
95.04976	1.1
95.08603	1.6
97.06539	30.2
105.07034	2.1
107.04919	1.4
107.08594	1.7
108.51939	0.8
109.10163	1.4
111.04434	2.1
119.04939	1.9
121.02874	15.9
123.04408	1.3
123.08066	1.4
124.07542	0.9
129.01863	1.1
133.10077	1.0
135.04477	0.9
139.03915	41.7
145.02869	2.4
145.17249	0.9
147.11647	2.0
151.03928	2.3
153.05482	1.2
163.03912	8.7
165.01842	1.1
167.03458	1.0
167.07056	3.0
169.06544	1.2
171.03090	1.1
177.05496	1.7
179.03423	1.5
181.04967	2.0
187.03836	1.0
187.14848	0.9
191.03441	1.1
191.07054	1.5
193.08687	0.8
195.03154	0.8
203.03548	1.0
203.07124	1.0
205.04971	4.6
213.05461	3.2
215.04021	0.9
217.08585	4.6
221.08092	1.0
223.13348	1.0
223.16977	3.2
227.07059	1.7
229.05061	1.4
231.02837	2.6
235.09718	15.9
241.05087	0.9
241.17984	2.4
242.05597	1.4
243.06500	2.4
247.06010	2.7
247.09743	1.0
249.04095	1.4
255.06529	5.1
256.07294	7.9
261.98877	0.9
265.10809	1.8
271.06091	3.5
279.06628	1.2
283.06024	47.0
284.06796	35.2
285.07339	1.9
295.06009	12.7
297.07611	24.7
303.71133	0.8
305.08081	1.9
307.05878	1.4
309.07559	3.4
311.05566	2.9
311.09164	7.9
313.07089	63.3
314.07184	0.9
321.07654	5.0
323.05447	2.5
324.06348	1.7
325.07031	8.3
327.08340	0.9
337.07050	15.7
339.08582	6.9
343.08176	9.2
349.07080	5.6
367.08136	60.8
368.08560	1.6
385.09177	40.7
403.10248	100.0
404.10529	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	403.1969
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
53.03944	3.4
55.01880	3.3
55.05519	8.6
57.03442	2.5
57.07099	1.9
61.02926	1.5
65.03950	3.1
67.05511	24.6
68.99809	1.7
69.03448	9.3
69.07076	14.0
69.34274	12.9
71.04996	4.8
73.06577	1.3
79.05508	13.4
81.03427	5.9
81.07070	63.4
83.05002	14.9
83.08625	6.0
85.02912	8.6
85.06549	6.4
91.05486	19.0
93.03418	3.7
93.07047	10.7
95.04987	13.3
95.08624	15.4
97.02894	1.6
97.06532	7.1
97.10198	2.1
99.04465	2.1
99.08126	2.1
105.07044	29.5
105.69766	1.3
107.08602	11.9
109.02879	7.1
109.06540	3.8
109.10179	1.8
111.04454	13.7
119.08604	23.8
121.02883	3.7
121.10156	23.0
123.08067	3.9
123.11731	29.4
125.09559	1.4
127.03931	13.2
127.07594	2.6
129.01868	1.9
129.05487	1.5
129.07014	2.0
131.08609	1.9
133.10144	3.8
136.97841	1.4
137.13293	5.6
139.03926	8.9
141.09154	1.8
145.10080	1.6
147.11707	68.7
149.02354	5.4
150.02719	4.4
155.14304	3.3
157.10118	2.0
165.12769	37.6
167.27071	1.5
175.11185	4.1
183.13887	8.6
193.12289	8.0
211.13438	2.6
229.14388	36.6
230.41122	1.5
231.04950	1.6
255.11201	1.6
283.10852	3.2
321.17151	2.5
343.12833	7.1
367.17584	100.0
368.17911	1.9
371.12408	3.5
385.18784	13.0
385.23578	2.6
403.14746	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	402.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
55.06385	0.2
57.07080	1.3
61.02917	0.5
65.03933	0.5
67.05501	0.4
69.03440	0.4
69.07076	0.5
71.04976	0.4
71.54118	0.3
79.05481	0.5
81.03427	0.4
81.07065	1.2
83.04983	0.3
85.02925	1.5
91.05486	0.4
93.07075	0.4
95.08604	0.3
96.08905	0.3
96.77866	0.2
97.02896	1.0
97.06547	0.5
105.07043	0.7
107.08617	0.5
109.10181	0.3
111.04446	0.4
119.08601	0.7
121.02878	2.2
121.03941	0.3
123.04433	0.5
123.11740	0.3
127.03918	0.5
133.10164	0.3
135.11665	0.4
136.12038	0.2
139.03925	0.9
140.04301	0.3
145.04890	0.3
147.11707	0.6
148.12076	0.4
149.02364	100.0
150.02705	0.8
153.05469	0.6
154.05852	0.3
162.07645	0.3
165.12834	0.4
167.03436	0.8
179.77670	0.2
180.08684	0.4
190.04974	0.3
203.18008	0.3
204.18410	0.5
205.08670	3.2
222.19330	0.4
223.09689	13.8
367.17474	0.3
392.54282	0.3
392.67532	0.3
402.21826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1028
Annotation	Isomollupentin
Peak:m/z	Relative Intensity
55.01888	3.5
57.03455	0.8
61.02906	1.0
65.03929	0.8
67.05509	1.0
68.99792	1.9
69.03407	1.4
69.07069	1.0
69.26254	5.9
79.05478	1.5
81.03397	0.9
81.07048	0.9
84.45331	0.6
85.02896	1.5
87.04469	3.2
89.06036	0.9
90.01904	1.9
91.05464	2.6
92.99730	0.7
93.07021	1.3
95.04960	1.3
97.02886	1.9
97.06544	9.6
104.29774	0.6
107.04939	1.9
109.02907	0.9
111.04418	1.7
118.42752	0.6
119.04951	4.8
119.08562	1.2
121.02884	15.3
121.06438	0.7
123.00811	0.8
123.04417	1.0
123.11683	0.7
127.03953	0.8
127.22285	0.7
131.04918	1.3
133.02872	0.8
135.04442	1.0
139.03915	11.9
141.01828	1.8
145.02838	4.9
147.04390	1.1
147.11711	0.8
149.02345	2.4
151.03877	1.0
152.05513	1.2
153.05412	0.6
153.22853	0.7
161.02272	0.7
163.03920	7.9
165.01855	17.2
165.21619	0.6
167.03391	2.8
167.07059	0.6
169.02959	1.0
169.12328	0.7
173.05806	1.0
175.03902	2.7
175.06032	1.5
177.01834	2.0
179.03391	2.9
181.04935	1.2
183.02895	3.6
187.03885	2.2
189.01804	1.2
189.05327	0.7
191.03435	1.8
193.04977	1.5
195.02875	1.9
203.03407	4.7
205.05086	0.6
206.10515	0.6
207.02789	1.0
211.13219	1.0
217.04973	0.7
221.04486	1.3
224.11292	1.8
229.04962	2.4
231.02895	2.4
235.09718	4.6
239.07129	1.0
241.05145	0.7
241.08524	0.9
255.06514	1.4
256.07089	0.7
267.06592	8.1
269.04370	0.8
269.08578	0.6
270.05322	3.2
271.06052	8.8
273.03958	1.1
279.06607	3.1
281.08093	8.8
283.06036	91.1
284.06760	12.1
285.07571	1.3
293.08127	4.8
295.05994	14.9
297.04410	0.8
297.07593	14.3
303.06409	0.6
305.07986	2.2
307.06058	4.5
309.04193	0.8
309.07565	22.4
311.05588	1.5
311.09183	3.2
313.07077	57.4
314.07513	1.2
321.07623	41.5
322.07803	0.8
323.05716	1.2
325.07123	7.0
337.07077	47.4
338.07492	1.3
339.08636	4.5
349.07098	35.8
350.07318	0.8
367.08157	100.0
368.08362	2.0
385.04382	1.2
385.09174	20.0
403.10211	11.4
403.15076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03479	0.7
58.06587	0.5
65.01414	0.4
68.99794	1.0
69.92879	1.6
70.06599	100.0
71.06918	0.6
76.28555	0.4
79.05495	0.8
81.07042	0.6
87.41993	0.4
89.76024	0.4
91.05482	1.1
93.07057	0.8
94.92862	0.4
95.05003	0.6
98.20840	0.7
103.05461	0.5
104.38487	0.4
107.04958	1.8
121.06532	2.3
131.05011	0.4
135.04413	3.5
139.03914	12.6
148.01060	0.4
149.05992	5.4
153.05533	0.5
159.04413	1.3
161.05989	0.6
163.03932	6.5
165.05580	0.8
175.07584	0.6
177.05481	60.6
181.04958	3.0
189.05487	1.0
234.11234	2.7
327.08679	0.7
345.09677	11.3
402.15500	65.8
402.45532	0.5
403.15613	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1551
Annotation	Noyaine
Peak:m/z	Relative Intensity
54.03473	0.7
55.04279	0.5
58.52769	0.5
68.99801	1.0
70.06599	100.0
70.39128	0.6
75.52718	0.5
81.07089	0.6
83.75948	0.5
91.05524	0.6
93.07044	1.4
93.43114	0.6
103.05553	0.7
107.04980	1.1
107.92178	0.6
121.06516	2.3
135.04420	2.6
139.03918	13.7
147.04489	0.6
149.06009	5.3
159.04381	1.1
162.62862	0.6
163.03893	6.2
165.05481	0.7
177.05484	54.8
181.04935	2.7
234.11278	2.5
311.64825	0.5
327.08792	0.8
345.09714	9.9
352.34039	0.6
392.92181	0.6
402.15497	60.7
403.16141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
55.01867	2.6
55.05518	1.5
57.03436	4.5
61.02934	6.7
65.03934	1.7
67.05511	2.3
68.01312	0.9
69.03432	21.5
69.07058	3.5
71.04980	2.9
71.53609	1.6
73.02911	6.3
74.30261	0.8
78.44417	1.0
79.05492	1.8
81.03418	15.4
81.07053	4.0
81.68461	1.0
85.02909	80.6
85.06555	1.6
86.03239	1.5
87.04469	23.9
91.03957	4.1
91.05486	63.8
92.05829	1.2
93.07047	2.5
95.08601	3.6
96.08924	1.8
97.02903	24.1
97.06532	12.5
99.04467	5.0
103.03956	3.4
105.07056	2.7
107.08591	1.8
108.04481	1.2
109.02873	11.3
109.06526	1.7
109.10149	1.6
115.03934	100.0
119.08583	2.4
121.06537	1.0
121.10133	1.5
123.11675	1.5
124.12079	1.3
125.06045	1.2
127.02974	2.0
127.03926	41.3
133.04970	31.8
133.10106	1.4
139.03905	9.0
145.04965	51.8
145.10112	1.3
147.11681	1.8
148.11986	1.4
163.03955	1.9
163.06027	9.4
167.07091	1.2
191.07095	1.4
203.17917	2.6
204.18323	4.6
216.10651	1.1
221.19052	2.5
222.19423	2.3
235.09619	9.8
241.06990	1.7
259.08191	13.0
277.09198	25.6
349.12781	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2538
Annotation	Pumilaside B
Peak:m/z	Relative Intensity
52.85070	6.2
55.05508	52.5
57.03427	18.6
57.07070	16.3
61.02901	7.4
67.05505	39.1
69.03423	23.1
69.07075	39.0
69.78707	6.3
70.41629	11.3
70.42019	16.3
71.04985	27.1
73.02902	9.8
79.05476	29.6
81.03416	12.5
81.07071	100.0
83.04974	9.7
83.08628	36.9
85.02897	30.7
85.06540	10.7
85.68536	6.2
91.05457	23.0
93.07056	63.6
95.04953	14.3
95.08605	81.7
97.02893	14.0
97.06524	10.7
97.10188	17.5
99.04333	7.0
99.08098	19.7
101.06052	6.7
105.07030	39.1
107.08604	79.5
109.06503	8.1
109.10169	76.7
111.04418	8.7
119.08572	35.4
121.10172	33.3
123.04408	8.6
123.11720	69.4
125.09654	14.7
127.11201	11.2
128.51912	7.3
131.08548	8.9
133.04910	8.5
133.10129	22.4
135.11711	63.8
137.13254	21.6
139.03922	10.8
143.10660	27.9
145.10170	15.8
147.11667	25.5
149.13225	41.5
151.11194	7.2
153.12762	13.7
159.11676	21.0
161.13231	16.6
163.14807	11.9
171.11760	12.8
203.17944	31.0
205.19495	20.2
206.53822	6.5
221.19089	31.0
223.20592	11.6
233.18982	11.7
239.20096	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	401.2535
Annotation	Pterodontoside H
Peak:m/z	Relative Intensity
50.30344	6.0
50.80557	6.6
55.01868	15.1
55.05511	32.6
57.03410	16.2
57.07070	8.1
61.02921	10.5
64.14547	5.4
67.05501	38.0
69.03414	18.5
69.07064	41.4
70.39303	19.8
71.05006	28.9
71.05318	6.2
73.02911	10.4
79.05489	44.3
81.03424	10.3
81.07057	100.0
83.04942	9.5
83.08619	30.4
85.02902	54.3
91.05457	27.5
93.07039	65.6
95.04950	22.5
95.08603	86.4
97.02885	16.3
97.06538	29.1
97.10170	10.9
99.08105	9.5
105.07028	54.9
107.08591	92.3
109.06487	8.8
109.10170	59.4
111.04438	6.9
111.11708	7.6
115.03957	8.4
119.08587	55.5
121.10146	40.7
123.04417	16.3
123.08128	11.5
123.11710	50.9
125.09607	11.7
127.03901	11.8
127.11211	14.4
127.58018	7.8
128.06223	6.0
131.08562	17.5
133.04878	8.6
133.10094	33.1
135.11693	94.7
137.05989	8.1
137.09630	14.7
137.13251	17.5
139.03906	70.4
143.08600	9.3
143.10657	20.5
145.10127	21.4
147.08012	7.6
147.11665	31.4
149.13260	42.4
151.11163	12.8
153.01898	7.7
153.05482	56.6
153.12726	12.9
157.10114	21.6
159.11765	34.7
159.12924	6.5
161.13213	18.3
163.03876	11.2
163.14778	10.9
165.12746	8.3
171.11661	17.2
173.13280	10.8
175.07521	17.9
175.14722	6.5
177.12708	6.4
189.12808	6.7
201.16380	6.4
203.18024	37.9
205.19513	22.9
215.17862	5.9
217.08684	7.1
219.10132	32.6
219.17159	8.1
221.18959	62.4
223.20638	8.8
233.19016	13.3
236.10019	9.9
239.10677	6.9
239.16425	8.4
243.13707	10.9
261.14847	6.8
263.20087	6.2
329.21045	9.6
330.11234	6.5
347.21960	19.0
365.23154	12.7
383.24084	19.2
401.12527	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	401.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01870	5.3
55.05514	10.3
56.45094	2.0
57.03427	7.3
57.07063	4.4
60.57452	1.8
61.02918	6.2
67.05505	30.5
68.61340	1.8
69.03429	17.5
69.07068	16.4
71.04996	11.1
71.53745	2.0
73.02906	2.6
78.86628	1.8
79.05503	16.0
81.03403	6.5
81.07063	32.7
83.04985	5.9
85.02908	51.4
85.06549	42.1
87.04474	2.5
91.05478	15.9
93.07047	28.0
95.04961	7.2
95.08611	100.0
97.02913	14.2
97.06534	18.6
97.10163	3.2
98.97554	4.2
99.04441	9.0
99.08105	8.4
105.07036	21.0
107.04939	9.2
107.08602	35.1
109.02889	4.9
109.06493	8.3
109.10163	32.1
111.04437	2.2
111.08081	4.8
113.09629	8.7
115.03922	3.5
117.06981	2.4
119.08582	38.6
121.06489	4.9
121.10144	39.3
123.04426	7.6
123.08059	2.7
123.11707	12.2
125.05977	4.8
125.09616	4.0
127.03933	11.3
127.11204	11.4
131.08559	4.4
133.10149	14.4
135.11687	10.5
137.09641	3.3
137.13264	3.2
139.03915	10.6
139.11168	2.1
145.04964	7.6
145.06442	2.0
145.10089	12.0
147.11711	22.5
149.09622	2.0
149.13277	5.2
151.11203	5.3
153.01768	3.6
153.12732	3.5
157.05005	2.3
157.10165	2.5
159.02859	2.5
159.07994	2.2
159.11690	8.4
161.09610	2.0
161.13255	7.6
163.03841	2.1
163.11172	10.5
163.14836	12.8
165.12759	6.9
167.07040	12.1
173.09633	4.7
175.05991	3.0
175.07494	2.1
175.14828	5.7
177.16457	4.8
183.11659	2.1
187.11127	3.1
191.10591	3.7
193.08615	2.2
197.09647	2.9
202.06100	2.0
203.17957	46.7
205.12141	2.2
208.05128	4.9
211.09703	5.5
215.10773	3.7
217.08615	4.7
219.08253	2.9
219.17305	2.0
221.15494	3.0
221.19034	23.7
230.40820	2.0
233.11749	2.9
236.04674	2.5
239.16261	2.6
239.20158	13.1
247.09706	2.8
251.12801	3.2
269.07962	3.7
287.05505	2.7
287.50525	2.0
311.13138	2.3
315.08707	9.5
320.13919	2.2
330.10950	15.2
331.11829	2.4
347.14813	2.7
351.12262	3.1
383.15030	9.4
401.12070	4.9
401.16672	2.8
401.21536	2.5
429.06696	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	401.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57787	1.8
53.33169	1.5
55.01873	2.7
55.05503	4.9
57.03442	3.0
57.07062	8.8
59.05004	2.9
67.05508	17.7
69.03426	8.6
69.07059	6.8
71.05000	3.0
71.50645	3.2
79.05499	6.6
79.50515	1.7
81.03423	2.6
81.07056	9.3
83.04992	8.8
83.08618	4.2
85.02905	9.8
85.06545	54.4
91.05475	5.6
93.07047	10.5
95.04978	7.8
95.08612	24.4
97.02891	3.8
97.06557	9.5
98.80347	2.1
99.04474	2.0
99.08095	3.4
102.25839	2.3
105.07052	6.9
107.04955	3.8
107.08591	12.8
109.02892	2.0
109.06512	5.0
109.10157	27.0
111.08104	9.5
113.09664	5.0
119.08606	16.6
121.06464	3.6
121.10159	7.6
123.08070	13.6
124.48894	2.2
125.05993	6.2
125.09612	2.7
127.07594	2.7
133.10149	5.3
135.08046	3.2
135.11705	5.3
137.05975	2.5
137.09616	22.9
137.13235	5.2
139.03955	2.6
139.07549	2.7
139.11171	3.8
144.13237	2.0
145.10156	3.6
149.09598	4.7
153.09096	21.6
155.10649	14.7
161.09674	2.4
161.13231	3.0
163.04028	2.6
163.11227	8.4
165.09108	13.1
167.07033	7.4
173.13316	3.0
175.14819	3.9
179.10635	1.9
181.12222	6.6
183.10179	26.7
189.05426	2.3
191.14351	6.8
192.04117	1.9
203.14346	7.2
205.15848	3.5
208.05235	1.9
209.15337	6.9
221.15378	26.8
239.16422	100.0
240.16667	3.3
278.59326	1.7
279.10172	2.1
307.09485	2.3
315.08603	5.8
330.10995	6.7
337.55365	1.9
351.12332	2.6
383.14795	8.2
399.28073	2.1
401.12384	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01867	5.7
55.05511	14.3
55.90257	2.3
57.03428	7.9
57.07073	7.2
61.02921	8.1
62.02692	2.1
63.31141	2.0
65.03934	3.6
66.01765	2.2
67.05506	19.3
68.99793	8.6
69.03141	2.4
69.03435	26.1
69.07068	25.5
71.01361	2.9
71.05003	27.9
71.53989	3.4
73.02914	4.6
79.05492	26.1
81.03426	26.0
81.06590	3.4
81.07056	60.5
82.48698	1.9
83.04970	8.6
83.08641	10.6
83.09055	2.6
83.88403	2.1
85.02906	40.4
85.06548	3.3
87.00834	17.9
91.05484	24.3
92.59282	2.2
93.07050	33.7
95.04960	16.7
95.08609	34.1
97.02900	22.2
97.06532	12.3
97.10136	3.5
99.04462	7.3
99.08086	10.1
103.03960	10.8
103.05467	2.9
105.01864	4.7
105.04416	2.0
105.07040	34.0
107.04939	7.8
107.08596	31.0
109.02879	14.4
109.06522	100.0
109.10168	40.6
111.04455	5.1
111.08046	3.1
115.03938	7.6
115.42084	2.0
117.07025	11.6
119.08597	35.0
121.06509	33.6
121.10147	19.3
123.04437	7.1
123.08029	10.0
123.11727	14.0
125.05973	3.6
125.09624	4.1
125.13326	4.0
127.03915	14.0
127.07535	2.8
127.11225	11.8
128.06175	2.8
129.01823	8.6
129.06961	4.7
131.08574	12.2
131.09399	2.1
133.06497	4.9
133.10135	11.0
135.04416	4.7
135.08047	8.2
135.11688	15.8
137.06015	3.2
137.09647	11.3
137.13260	5.2
139.03905	18.0
139.11198	2.4
141.06979	2.6
143.07011	2.4
143.08569	5.8
145.04915	3.4
145.06480	6.2
145.10132	15.3
147.02895	3.6
147.08032	9.4
147.11687	16.9
149.06052	3.2
149.09631	6.7
149.13281	4.9
151.03893	5.1
151.07541	6.2
151.11203	10.3
153.01825	3.1
153.05438	2.5
153.12727	8.9
155.08604	4.1
155.10645	6.4
157.10098	3.5
159.02956	2.7
159.08098	4.8
159.11691	9.8
161.09602	3.6
161.13232	5.1
163.03909	8.4
163.07516	3.9
163.11195	8.7
165.09128	2.5
165.12758	9.4
167.07042	6.4
167.08452	2.2
169.10094	2.7
171.11705	2.6
173.09622	21.0
173.13293	4.9
175.07562	6.5
177.12729	28.1
179.14285	2.2
183.08101	2.8
189.03981	5.8
189.09163	3.6
189.12743	5.4
191.10706	9.0
191.14273	2.7
193.12242	9.4
195.13828	42.4
197.13248	2.6
201.03912	2.6
201.12868	4.6
203.17972	35.8
205.08746	2.1
205.12215	4.1
207.13870	3.2
215.14265	5.1
217.08530	3.0
219.13795	9.0
221.19063	9.0
231.04953	3.7
233.08113	5.5
233.15343	3.0
237.14865	16.2
239.16425	6.2
239.20164	4.5
243.13872	16.4
261.14853	27.3
279.15961	4.0
287.05661	2.8
315.08597	3.8
330.11072	5.1
347.14938	5.5
355.11957	2.6
365.15903	7.3
383.11310	2.7
383.17038	10.4
401.12234	8.1
401.17868	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	401.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01863	4.9
55.05507	6.3
57.03445	1.6
67.05511	7.3
69.03416	4.1
69.07077	9.4
70.21867	1.4
71.05000	3.5
71.54359	2.2
73.02925	1.8
79.05496	13.8
81.03443	1.7
81.07063	16.4
83.04971	3.6
83.08614	3.8
85.02919	8.7
85.06545	2.1
91.05473	8.5
93.07075	9.3
95.04974	5.4
95.08620	11.6
97.02885	2.7
97.06558	15.7
105.07022	9.2
107.04973	22.4
107.06051	1.6
107.08616	9.1
109.06506	3.2
109.10164	8.6
111.08110	3.1
111.39814	1.6
115.05427	3.0
116.06252	2.2
117.07024	3.0
119.08605	14.5
121.06548	1.7
121.10146	7.2
123.04414	3.3
123.08062	3.8
123.11726	5.8
124.05228	2.8
125.05980	2.5
125.09660	3.8
127.03957	2.7
127.11206	4.2
128.06253	2.0
129.07031	4.6
131.08592	6.0
133.06483	1.8
133.10115	5.5
135.08057	2.0
135.11702	4.6
137.09637	2.1
139.03894	6.0
139.07556	2.3
141.06993	3.1
142.07697	2.1
144.05666	4.7
145.06499	5.6
145.10146	4.8
147.04420	1.9
147.11720	7.2
149.13266	3.2
151.03914	2.7
152.04753	2.4
153.01836	5.9
156.05717	7.4
157.10123	5.0
158.07263	2.0
159.08092	9.8
159.11734	5.0
161.05992	1.8
161.13226	3.3
163.03926	3.5
165.09105	3.8
167.07057	67.8
169.06418	2.0
171.11720	1.9
173.05957	4.8
175.14865	2.8
177.05591	1.9
179.03442	2.9
179.06978	1.8
181.08591	2.3
181.12059	1.7
185.13202	1.6
186.06783	2.7
187.07562	6.5
189.05502	2.8
190.06181	1.7
190.07878	3.1
190.62415	1.5
191.07050	1.9
191.08578	2.1
192.09364	2.2
195.06543	4.0
201.16464	2.1
202.06195	3.3
202.07907	2.5
203.08607	2.2
203.17993	7.4
205.08578	12.7
207.06474	3.7
208.05232	17.5
217.08597	23.7
218.07307	2.3
219.08051	7.6
219.10063	3.8
220.08925	3.5
221.05978	5.1
221.19032	10.6
229.08618	6.5
231.08014	5.2
232.09036	2.1
233.09695	3.4
234.06725	2.2
235.07545	3.8
236.04707	6.3
236.08342	2.9
239.07091	4.0
239.16418	14.0
239.20042	3.6
240.04126	3.2
245.13823	3.8
247.07547	10.7
247.09692	13.9
248.08401	7.7
253.08405	1.9
254.05727	11.1
255.06551	2.1
257.04391	2.8
259.07639	1.7
260.08182	2.0
261.09137	2.3
262.09961	2.5
263.06976	3.5
263.10703	6.6
264.07813	5.0
265.08649	4.4
267.06595	6.3
268.03696	3.3
269.08087	27.7
271.09576	4.1
272.06827	4.7
273.09088	2.1
275.06973	4.0
276.07788	5.0
277.08603	4.5
279.10129	6.0
281.08096	2.5
282.05566	3.4
282.08844	10.0
283.06152	2.9
285.07623	2.6
287.09122	3.2
290.09485	4.7
291.07056	2.1
291.10117	10.7
292.07309	4.9
293.08090	5.3
296.10269	1.9
297.11490	1.8
299.09079	5.0
300.06644	2.1
301.07089	3.4
305.08176	2.2
307.06445	1.9
307.09497	7.8
308.10553	3.4
309.11371	1.8
310.08405	5.6
311.12720	2.8
311.20099	1.7
315.08658	81.0
316.05508	1.6
316.09055	3.6
319.09662	6.0
321.07370	2.6
321.11075	2.6
322.12094	2.4
323.12778	10.6
328.09436	4.9
329.21152	2.8
330.11011	100.0
331.11862	8.5
336.09845	4.2
337.10651	6.7
339.12384	12.5
343.11795	18.8
351.12234	23.2
352.12872	2.2
353.10135	5.5
355.11823	3.5
356.12570	3.3
357.13422	2.4
368.12576	7.8
369.13351	4.9
371.14859	6.6
383.14993	63.7
383.24106	2.3
401.12051	4.7
401.16528	20.0
401.21381	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1595
Annotation	Gomisin R
Peak:m/z	Relative Intensity
55.05500	12.2
62.47533	2.4
67.05499	5.6
69.03431	12.7
69.07053	5.5
71.54675	3.2
75.61871	2.7
79.05480	15.1
81.07057	5.3
83.04964	14.7
83.08607	3.1
85.02885	5.5
85.06538	9.0
91.05472	7.0
93.07047	5.2
95.04946	7.1
95.08602	3.4
97.06528	7.2
101.06028	8.6
105.07019	5.6
107.04951	27.2
107.08597	5.6
109.06542	2.5
115.05462	3.8
119.08598	4.9
121.10151	4.8
123.04425	5.5
123.08131	3.3
124.05276	4.1
125.05916	3.9
128.06230	2.5
129.07024	6.3
130.07813	2.4
130.93318	2.7
131.08551	9.4
133.10126	4.7
137.09581	2.7
139.03888	11.3
139.11194	43.4
141.07007	3.7
144.05675	7.6
149.02277	2.6
151.03905	6.5
152.04686	3.7
153.09081	2.6
156.05688	8.5
157.06450	2.8
159.08035	17.0
163.04004	5.8
165.07147	3.3
167.07033	75.8
173.06052	5.6
183.10165	3.2
187.07555	7.6
189.05508	6.6
190.06306	3.2
195.06544	3.9
200.04428	2.9
202.06190	4.0
203.08507	3.0
205.08548	13.4
207.06511	3.3
208.05249	21.7
211.15236	4.8
211.44881	2.9
217.08548	18.2
218.07140	4.8
219.08026	10.9
219.10059	5.6
220.08852	3.0
221.06012	6.1
221.15305	4.1
229.08640	11.8
231.08047	8.1
233.09650	4.2
235.07602	4.0
236.04671	6.5
236.08295	4.4
239.07147	4.1
239.16385	15.1
245.09602	3.9
247.07466	12.4
247.09717	16.4
248.08296	10.4
249.05243	2.7
249.09106	3.7
250.06236	3.2
251.06783	3.7
251.10521	3.8
254.05756	9.1
259.07632	3.3
261.09140	7.2
262.09814	5.7
263.07089	3.4
263.10718	10.2
264.07858	9.6
265.08630	7.2
267.06543	9.6
269.08191	22.5
271.09781	3.1
272.06735	3.5
275.06967	9.2
276.07852	10.3
277.08600	9.6
278.05823	3.5
279.10217	11.2
280.11057	2.9
282.06076	3.1
282.08746	16.5
287.09076	2.9
290.09332	6.3
291.10147	16.5
292.07376	5.8
293.08142	12.1
299.09232	3.0
305.08038	4.8
307.09598	12.0
308.10452	10.4
309.11328	3.6
310.08215	6.8
315.05176	5.0
315.08652	73.5
315.12335	3.9
319.09573	10.5
320.10159	3.1
321.07495	5.2
323.09351	4.2
323.12808	18.6
328.09467	3.4
330.10977	86.9
331.11591	9.8
335.09302	3.3
336.09833	3.3
337.10733	11.7
338.07837	3.3
339.12222	14.1
343.11682	22.8
351.12183	29.4
352.13281	3.6
353.10229	8.0
356.12454	3.3
368.12430	11.8
369.13406	4.3
371.14825	5.7
383.14935	100.0
401.11334	5.2
401.16388	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89898	2.0
53.03950	3.2
55.01859	4.7
55.05502	3.1
57.03424	4.6
59.21028	2.5
67.05489	6.0
68.99753	3.0
71.04981	8.0
74.57714	2.0
79.05505	14.9
81.03402	2.9
81.07035	9.9
83.04975	4.8
85.02902	11.9
85.06525	4.1
91.05470	7.2
93.07035	5.5
93.98942	2.3
95.04943	8.2
96.82732	2.2
97.02881	3.1
97.06551	2.9
97.83611	2.5
99.04511	2.4
104.00787	2.5
105.07031	7.3
107.04961	27.5
107.08570	6.5
109.02868	2.2
109.06553	4.1
109.10156	3.6
111.08041	2.1
113.02341	19.1
113.06004	3.7
115.05399	4.1
117.07011	3.2
119.08572	4.3
121.10150	4.7
123.04441	10.2
124.05182	4.3
125.80414	2.3
127.03899	7.8
128.06230	3.2
129.06999	7.6
131.08542	7.3
135.08102	2.5
135.11703	3.6
137.06023	2.9
139.03902	15.5
139.07573	2.7
141.06979	3.9
144.05737	4.7
145.05002	3.2
145.06470	3.2
145.10098	4.6
149.05977	3.0
151.03903	8.8
151.11180	6.0
153.01825	3.3
155.08414	3.1
156.05675	9.8
159.08066	12.2
163.03900	9.7
163.11147	5.2
165.01799	7.1
167.07042	76.7
173.05971	4.8
177.01810	7.0
177.05481	5.8
179.03391	3.8
179.06996	3.5
181.04922	2.8
184.05136	3.2
187.07501	6.8
191.03415	6.1
193.05000	9.8
195.02902	15.9
195.06601	2.9
203.07018	4.5
205.04924	7.0
205.08591	10.9
207.06387	5.3
208.05196	15.6
211.07579	2.9
217.08600	25.4
219.02931	13.7
219.08028	7.8
219.10086	5.2
221.06047	3.6
221.07957	4.0
229.08557	3.7
231.02905	3.3
231.08040	6.7
232.08849	2.7
233.06009	3.6
233.08086	8.2
235.05635	3.5
236.04602	6.9
238.06369	2.9
239.07014	4.3
239.16304	2.7
245.07997	3.9
247.07507	9.1
247.09708	15.2
248.08296	8.4
249.09297	3.4
251.09062	4.1
254.05777	11.8
255.06496	3.2
257.04199	2.7
261.03912	6.0
262.09830	3.6
263.08783	11.7
264.07864	5.1
265.08557	4.9
267.06461	6.3
268.03705	3.5
269.08173	29.2
271.09637	6.0
276.07797	7.8
277.08725	3.8
279.04825	2.4
279.10184	6.7
281.10318	5.6
282.05396	3.4
282.08792	9.4
287.09088	5.6
290.09290	4.7
291.10123	13.3
292.07288	5.7
293.08096	7.7
305.10159	10.3
307.09570	7.8
308.10370	5.1
310.08438	6.6
311.12482	2.8
315.08636	95.3
317.10138	7.3
319.09622	8.4
321.07742	3.2
323.12677	9.8
328.09488	6.8
330.10995	100.0
331.11722	8.2
336.09875	3.6
337.10666	6.9
339.12231	8.9
343.11771	17.3
347.11304	6.9
351.12354	22.0
352.13196	3.1
353.10025	3.6
365.12112	4.7
368.12628	6.0
369.13400	5.0
371.14847	4.5
377.01758	4.1
383.14917	54.0
401.16159	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	401.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.1
56.96298	2.9
56.96567	40.0
57.03439	2.7
69.03422	6.0
69.92519	3.0
69.92910	5.0
70.06572	3.4
71.95261	2.1
72.08161	2.2
73.02925	2.2
81.03436	2.6
83.52427	1.9
84.96017	12.8
85.02891	5.3
89.03903	2.4
91.05488	8.2
97.02901	5.8
98.97588	93.3
109.02910	2.8
110.97572	43.2
112.07598	2.6
112.99138	6.9
116.98627	42.7
119.04960	8.9
123.04496	2.1
124.99104	4.7
126.97128	2.1
127.03883	2.6
128.98618	39.2
130.08693	4.2
130.93332	2.2
131.00156	6.1
134.99678	6.2
136.06213	7.1
139.03914	5.7
140.98590	3.2
143.00150	9.8
145.02757	2.5
146.99655	16.2
147.04411	29.6
148.04793	4.7
156.03342	8.1
158.99652	12.1
161.01239	8.3
163.03972	9.0
163.97905	2.8
168.03372	4.2
170.99681	8.1
174.04420	6.9
177.00743	11.9
179.00224	1.8
181.98883	13.9
186.04379	13.0
189.00789	7.3
194.99800	3.1
197.01273	2.4
199.99931	17.8
201.00685	10.6
204.05539	8.2
207.01770	2.1
210.99115	2.7
211.02762	3.3
213.00696	2.3
215.02274	4.3
219.01775	72.8
226.22742	1.9
229.00221	3.6
237.02831	100.0
238.13055	2.3
255.03767	2.7
257.03467	4.3
259.99976	6.3
260.04346	2.2
261.02826	2.9
269.10800	2.9
278.01056	5.8
281.03363	3.8
293.03378	4.8
297.11392	4.1
298.55014	2.4
299.04498	2.5
305.51263	2.4
326.02994	5.2
341.05392	19.6
359.02069	1.3
359.06503	47.2
401.07608	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2381
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
50.97872	0.4
55.01882	0.8
55.05497	1.5
57.03443	0.5
58.99576	0.8
64.07826	0.5
67.05495	2.1
69.03436	8.2
69.07063	1.4
69.50216	3.5
71.04972	0.9
71.96709	0.5
77.03960	0.5
79.05495	1.4
80.84329	0.5
81.07059	3.9
83.04960	1.0
83.08623	0.6
85.02916	5.0
85.06518	0.8
86.99020	0.7
87.00832	1.5
91.05473	1.7
92.82239	0.5
93.07056	4.4
95.08607	2.8
97.02872	0.9
97.06545	5.0
97.10158	0.6
99.08071	0.5
101.06011	0.6
105.07028	5.0
107.08603	4.4
109.02905	0.5
109.06523	1.1
109.10145	3.7
111.04491	0.5
111.08086	17.2
112.86368	0.5
115.07593	0.4
117.07024	0.6
119.01593	0.5
119.08571	3.6
121.10152	4.4
123.08073	2.1
123.11695	2.0
125.09686	0.6
127.03943	0.8
131.01607	1.1
131.08553	1.3
133.10161	3.4
135.08076	2.7
135.11713	3.9
137.09607	1.3
143.10674	1.1
145.03180	1.1
145.10124	3.4
147.11696	6.1
149.09630	1.2
151.11192	0.9
157.10130	0.8
159.11687	2.0
161.13240	1.3
163.04077	0.6
163.06049	0.8
163.11180	6.8
165.12814	0.5
168.37404	0.5
173.02634	0.7
173.13310	0.8
175.14836	0.7
177.12708	0.6
189.12762	5.3
191.03745	0.6
191.17896	0.7
201.16435	2.7
204.15112	11.9
219.17455	100.0
220.17877	0.9
223.11490	1.2
237.14832	1.3
237.18530	4.7
243.79424	0.4
283.06049	0.8
312.16901	0.6
327.19391	0.8
399.10880	1.6
399.20111	1.2
399.27164	2.2
415.19861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2379
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
50.48353	0.4
53.03927	0.5
55.01860	0.4
55.05502	1.6
57.03434	0.4
57.07079	0.6
61.02919	0.8
61.37822	0.4
67.05508	4.1
69.03433	13.7
69.07071	2.5
70.85996	0.5
70.86323	0.8
73.02910	0.8
73.81608	0.4
79.05491	2.4
81.03416	1.1
81.07063	5.3
83.04961	0.8
83.08633	1.0
85.02908	6.6
85.06548	3.0
90.46198	0.4
91.05492	2.2
93.07044	19.0
95.04955	0.5
95.08604	4.9
97.02907	2.0
97.06519	1.8
97.10148	0.6
105.07040	2.6
107.04960	1.1
107.08603	10.3
109.02901	0.6
109.06538	4.4
109.10159	19.5
111.08090	6.9
117.07045	0.7
119.08599	3.7
121.06541	2.5
121.09348	0.6
121.10147	7.2
122.07293	0.5
123.08058	3.2
123.11710	5.1
125.09622	1.1
127.03912	1.6
131.08551	1.5
132.26799	0.5
133.10167	2.6
135.08066	8.9
135.11697	22.6
137.09628	11.5
137.13200	0.5
145.04936	1.8
145.10156	4.4
147.11690	1.1
149.09615	1.8
149.13261	1.5
159.11693	4.2
161.09604	1.3
161.13222	2.1
163.06056	1.0
163.11191	6.2
173.13258	0.9
175.14854	1.0
176.11992	1.1
177.12820	1.1
177.16370	4.0
191.17932	1.0
197.73822	0.4
201.16389	6.3
219.17450	100.0
220.17799	1.3
237.11024	0.4
237.18550	2.8
399.23782	3.7
399.74908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.129
Annotation	4-sinapoylquinic acid
Peak:m/z	Relative Intensity
55.05497	0.7
57.03436	0.7
57.07076	1.7
59.90977	0.8
65.03934	1.2
67.05492	0.7
69.03415	2.3
70.06596	0.8
71.53191	1.3
79.05496	1.5
81.03419	0.8
83.04964	1.3
85.02904	3.4
89.03915	1.0
91.05488	23.7
92.05838	0.8
93.07027	1.2
95.04936	1.3
97.02871	2.2
97.06528	0.7
98.97573	2.2
103.05457	1.9
104.46060	0.7
105.03383	0.9
107.08595	1.0
109.06544	0.8
111.04464	0.9
113.42560	0.8
116.98643	0.8
117.03359	0.7
119.04950	37.3
120.05225	0.9
121.02846	1.0
123.08057	0.7
127.03928	1.2
131.04904	3.0
132.02095	1.8
133.10135	1.0
136.06146	0.8
147.04425	31.6
149.02293	1.7
149.04573	0.6
157.03981	3.2
158.99683	1.4
159.11755	0.7
160.68748	0.7
163.04073	0.8
163.07523	2.1
164.04659	1.3
173.13277	0.8
175.03920	52.9
177.00740	1.1
179.07024	2.6
207.06541	100.0
208.06859	1.6
219.01779	1.0
295.06955	1.9
354.19604	0.8
387.48090	0.7
391.09229	2.7
399.16183	1.3
409.85425	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14368	0.7
55.05504	0.7
65.03942	1.9
69.03423	1.1
69.72863	4.4
70.06592	1.0
79.05477	0.7
81.07070	1.0
83.04993	1.1
83.08606	0.7
85.02912	1.1
89.03947	1.3
91.05488	26.3
93.07032	1.4
95.04948	1.6
95.08590	1.2
97.02909	1.0
105.03399	0.7
105.07044	1.5
107.05019	1.0
107.08586	0.9
111.04372	0.8
111.64839	0.7
113.41667	0.7
119.04952	36.5
121.02885	0.8
127.03899	1.1
128.51324	0.7
129.05573	0.7
129.18344	0.8
132.02109	1.7
135.04427	1.3
142.47668	0.8
145.10126	1.1
146.87805	0.7
147.04417	30.1
149.02309	1.7
156.70142	0.7
157.03946	3.3
159.11667	1.0
164.04704	1.4
173.74741	0.7
175.03923	54.5
177.05351	0.8
179.07037	2.3
207.06546	100.0
237.14917	1.1
399.14130	1.1
399.29529	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
54.00322	0.8
55.01855	0.8
55.05515	1.4
55.18604	0.8
55.66362	0.9
65.03947	1.2
67.05509	1.8
69.03422	2.2
69.07059	1.2
70.06603	2.4
70.59565	0.9
71.08633	1.0
79.05493	2.2
81.03423	1.1
81.07064	1.5
83.04986	1.4
85.02906	3.3
86.09713	1.4
89.03922	2.6
91.04908	1.4
91.05482	28.6
93.07030	1.1
95.04974	2.4
95.08613	2.3
97.02895	2.5
98.97607	1.5
100.11267	0.8
101.06039	0.9
103.05471	0.9
105.07046	2.6
107.04951	1.2
107.08602	1.4
109.06496	1.0
111.04459	1.4
114.09158	1.2
117.03363	3.1
117.07032	1.1
119.04946	36.2
119.08565	2.8
121.02891	1.2
121.10155	3.9
123.08104	1.1
127.03918	1.3
129.05502	1.0
131.08636	1.5
132.02094	3.1
133.10153	1.4
135.04413	1.6
135.08035	1.6
136.06171	1.3
137.09691	0.9
143.08514	1.0
145.02858	3.5
145.10143	1.2
147.04417	29.2
149.02377	2.0
157.03966	2.9
159.11693	1.6
161.09621	1.2
164.04604	1.4
165.09181	1.1
173.13220	0.8
175.03915	47.4
176.04340	1.2
177.05479	6.7
178.05791	2.1
179.07036	2.4
201.16353	1.3
207.06535	100.0
208.06770	1.1
219.13828	1.2
219.17516	2.0
237.14948	1.8
237.18576	1.3
250.09535	1.1
252.73366	0.9
356.12442	0.9
363.06976	1.0
399.16599	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33081	0.2
54.98660	0.3
56.96575	5.4
69.46690	0.7
69.47122	0.8
71.95279	1.8
83.50827	0.2
83.56209	0.2
86.96449	0.2
98.97597	82.8
116.98637	33.2
130.93323	0.8
134.99673	8.5
140.00212	0.9
153.00743	0.6
154.93320	0.3
158.01205	0.3
172.94373	4.6
190.95442	2.6
197.95326	0.2
208.96541	0.5
214.95416	3.3
230.98543	0.4
232.96503	6.4
236.75856	0.2
241.94174	0.4
250.97615	2.3
256.96463	17.2
258.99750	3.4
259.99847	0.3
261.03281	0.4
274.97537	100.0
275.97983	0.9
276.98157	0.4
277.00867	2.9
292.98593	44.3
297.99106	2.7
298.97672	0.5
314.95795	0.2
316.00229	1.1
316.98743	0.6
332.96490	0.3
357.96817	0.3
371.13760	0.7
374.99103	0.4
398.97552	2.3
416.98779	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	399.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05047	1.3
56.96570	47.2
60.95841	2.2
62.95735	1.1
69.03406	2.7
69.60378	4.3
70.06557	1.2
71.08640	1.2
71.95269	1.8
83.05013	1.6
84.96046	13.3
85.02904	3.2
89.03925	2.1
91.05470	2.4
97.02909	10.1
98.97593	100.0
100.99166	2.1
102.05556	3.6
102.97015	1.8
107.04896	1.1
110.96829	1.9
110.97578	22.8
111.04452	1.2
112.99135	4.3
116.98624	37.6
117.03385	1.7
119.04928	5.6
121.65506	1.2
124.99121	3.8
126.97076	1.5
127.03923	2.3
128.98630	19.1
131.00122	5.2
134.99649	11.2
135.04443	3.7
136.06187	11.9
139.03926	8.4
140.00208	1.2
140.98596	4.0
143.00168	15.3
143.92978	1.2
144.98079	2.6
145.02843	2.3
146.55832	1.0
146.99667	7.9
147.04428	15.1
149.01257	2.0
150.05507	1.1
151.00597	1.0
152.98616	1.5
154.89720	1.3
158.99667	10.7
161.01230	21.4
162.99159	3.2
163.03934	17.8
164.04311	1.5
165.00679	2.0
169.01720	3.0
170.99658	5.7
173.01302	1.2
174.99121	1.7
176.98650	3.4
177.00760	12.3
179.00061	1.3
179.02235	6.0
182.99615	2.0
184.02843	1.7
187.02792	1.7
189.00690	5.8
194.99672	13.6
195.01451	1.4
196.33188	1.1
197.01218	2.6
201.00697	8.7
207.01761	4.9
213.00722	55.3
219.01782	42.4
223.02814	1.5
231.01779	26.7
237.00731	2.8
237.02829	42.2
241.00246	2.0
242.03418	2.3
243.01622	3.2
250.09424	8.4
252.03976	1.4
255.01762	4.3
255.04016	1.5
259.01172	1.9
260.04404	1.7
261.02872	3.3
267.01819	2.1
273.00305	1.8
273.02869	3.4
279.01627	2.7
279.04184	2.3
281.03372	3.6
285.02655	1.2
291.01691	6.3
297.02634	1.8
298.09778	1.7
299.04407	1.9
309.02759	2.1
321.01605	2.8
339.03891	22.4
353.12897	3.3
357.04935	28.7
358.08304	1.2
363.02289	1.3
371.13907	6.2
375.06006	4.6
381.03284	4.5
399.05945	65.0
399.12384	12.4
400.05478	1.1
417.07172	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	397.383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.4
57.07078	16.1
67.05505	22.0
67.85656	1.0
69.06731	2.0
69.07072	22.9
71.08629	13.4
71.13470	3.1
79.05482	9.5
81.07062	37.6
83.08624	12.9
85.10194	9.2
89.98946	1.2
91.05486	11.7
93.07053	21.6
94.98218	1.2
95.08614	44.6
97.10170	11.1
97.71760	1.2
105.07040	21.5
107.08602	18.8
109.10159	33.0
111.11718	9.0
117.07032	1.4
119.08584	20.1
121.10154	14.6
123.11696	12.8
125.13330	1.7
131.08539	1.8
133.10129	17.7
135.11697	31.0
137.13263	4.5
145.10153	4.3
147.11700	46.8
149.13275	13.7
151.14828	5.3
159.11726	4.2
161.11998	2.5
161.13271	37.1
163.14804	6.4
165.16437	3.4
173.13289	3.4
175.14836	15.6
177.16437	2.5
179.17964	2.8
187.14876	3.1
189.16373	7.9
193.19577	1.3
201.16393	4.7
203.17989	7.2
215.17972	8.3
217.19571	3.1
221.22626	1.2
225.93044	1.2
229.19568	4.8
233.22780	1.4
240.47737	1.1
243.21066	6.8
247.24187	2.4
257.22659	6.6
261.25854	4.3
273.25879	2.4
275.27463	2.5
285.25961	1.9
287.27414	5.0
299.27405	1.8
301.28998	2.8
315.30463	3.2
376.85074	1.2
397.38315	100.0
398.39005	1.7
405.03094	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	11.5
57.07083	15.9
61.98799	1.2
65.03954	1.5
66.35902	1.3
67.05508	18.4
69.06735	1.5
69.07077	24.3
69.81493	6.2
71.08633	12.1
76.27409	1.1
79.05497	11.6
81.07063	53.0
83.08621	14.8
85.10196	8.6
91.05483	13.3
93.07048	19.7
95.08614	44.9
97.10177	11.4
105.06398	2.3
105.07045	24.9
107.08611	21.6
109.10168	33.1
111.11729	7.0
117.07026	2.2
119.08591	20.0
121.01599	1.1
121.10141	13.2
123.11713	13.3
125.13307	3.3
131.08597	3.1
133.10143	21.8
135.11703	30.1
137.13246	5.6
145.10161	5.0
147.11705	50.8
149.13284	12.9
151.14836	2.6
159.11700	4.4
161.13271	39.0
163.14871	5.6
165.16418	3.3
173.13266	3.1
175.14845	17.3
177.16425	2.5
179.17969	1.7
187.14857	2.1
189.16412	8.1
201.16435	5.7
203.17932	8.4
207.21196	1.3
215.18068	6.5
217.19518	4.4
219.21063	1.7
229.19501	3.3
238.50365	1.3
239.72632	1.1
243.21188	8.3
247.24573	1.4
257.22681	5.6
261.25864	3.9
271.24429	1.9
275.27289	3.3
287.27414	3.8
298.97937	1.2
299.27200	1.3
301.28720	1.3
315.30530	4.5
327.30640	1.4
397.38321	100.0
398.38644	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2222
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
51.97430	0.9
53.03935	3.2
55.01875	2.2
55.05515	14.3
57.03428	4.8
57.07064	2.3
61.02922	6.1
67.05489	3.4
69.03429	16.6
69.07050	2.5
69.43476	7.6
71.04978	2.5
73.02898	2.2
75.61766	1.0
79.05480	3.6
81.03424	6.3
81.06667	1.0
81.07059	10.6
83.04964	4.4
85.02908	37.3
85.06545	4.8
86.29867	0.9
87.04465	1.9
88.12812	0.9
89.75516	1.0
91.03963	2.2
91.05486	7.0
93.07040	9.3
95.04940	3.9
95.08585	4.1
96.60997	1.1
97.02888	12.5
97.06527	2.3
98.20795	1.8
99.04440	3.8
103.03930	1.2
105.07032	13.9
107.08598	5.6
109.02843	3.3
109.06507	6.0
109.10162	3.2
110.05918	1.0
111.08044	1.2
111.46320	0.9
115.03847	1.2
115.05441	1.2
117.06997	2.9
119.08597	11.2
121.06480	4.3
121.10139	4.5
123.08072	2.8
125.05946	2.7
126.36930	1.0
127.03893	7.9
128.06218	1.5
129.07048	1.4
131.08546	3.6
133.06474	1.3
133.10132	18.0
135.08073	5.5
135.11664	2.5
137.05952	1.7
137.09619	2.6
142.07756	1.9
143.08519	3.4
145.04944	6.8
145.10120	4.6
146.07228	2.1
147.08060	13.3
147.11653	4.5
149.09615	11.7
151.11168	2.3
152.24667	1.1
157.10133	9.6
159.11668	4.9
161.08302	1.9
161.09616	28.8
161.13219	1.7
162.10381	10.3
163.11163	6.3
169.10121	1.6
171.11679	3.5
175.11206	5.9
175.14818	1.3
177.12721	1.3
179.10687	15.0
187.11136	1.7
189.16315	4.9
199.14815	3.9
216.20026	1.0
217.15883	100.0
218.16263	1.7
235.16953	13.1
247.09615	2.1
318.19809	1.0
379.13657	1.2
397.14362	2.1
397.16464	1.9
397.22165	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37632	1.3
54.44186	1.3
55.01887	1.8
55.05492	3.7
57.03452	1.7
57.07082	10.6
65.03953	1.7
67.05489	5.7
69.03434	10.4
69.07067	4.9
70.85073	4.4
79.05494	5.3
81.03414	3.7
81.07057	8.7
83.05005	2.7
85.02914	13.2
91.05499	9.5
93.07047	8.6
95.04953	3.2
95.08603	5.2
97.02907	6.2
97.05444	1.5
97.06525	1.6
105.07017	12.2
107.04950	2.4
107.08603	6.9
109.02902	2.7
109.06517	4.6
109.10164	9.0
119.03338	1.3
119.04944	3.7
119.08582	8.9
121.02805	1.8
121.06528	15.7
121.10148	6.0
123.08116	1.9
127.03960	2.4
128.06245	1.7
129.07025	2.8
129.51151	1.7
131.08594	5.1
133.06473	3.1
133.10143	15.1
135.08035	11.6
137.05991	36.1
139.03961	2.1
141.06941	2.1
142.07819	3.4
143.08557	5.8
145.10149	5.7
146.07254	3.4
147.04382	2.0
147.08063	9.5
147.11696	4.4
149.06046	2.0
149.09636	3.0
151.03914	1.7
151.07574	4.9
153.01843	2.9
157.06514	2.2
157.10138	6.9
158.07330	1.8
159.08043	4.3
159.11690	4.9
160.08821	2.2
161.06036	5.3
161.09624	64.0
163.03842	2.2
163.11137	1.9
165.06956	1.9
169.06502	2.1
172.08943	2.3
173.09628	2.2
175.07472	2.4
175.11174	23.5
175.14850	2.3
177.01814	1.9
182.07339	3.1
185.09586	3.7
186.06754	1.4
187.07574	1.7
189.16406	4.4
191.03426	5.2
191.07050	3.7
193.04994	2.3
197.09605	2.8
198.06741	6.5
199.07552	4.2
199.14754	4.0
201.08968	2.0
205.04993	10.7
206.05742	12.7
212.08157	1.5
213.09100	9.2
215.10753	2.4
217.05019	2.8
217.15891	50.8
218.05760	3.7
219.02931	9.0
219.06372	2.9
219.17467	1.8
225.09261	3.6
231.02911	1.9
231.08054	2.3
231.10156	3.3
235.09671	100.0
235.16936	21.1
236.10080	2.4
237.09073	1.5
243.10123	7.4
245.11703	1.9
247.07120	2.6
247.09662	44.4
248.10353	2.3
255.10229	1.7
259.09726	5.8
265.10687	2.9
273.08640	2.2
273.11270	33.6
277.10724	33.7
287.07394	1.9
287.12814	5.6
289.11969	2.5
292.07458	2.3
293.08188	2.2
297.11337	3.2
301.10791	18.9
303.10101	2.9
307.09695	3.5
313.10754	4.1
319.11942	3.3
321.11115	2.8
325.10699	4.6
331.11768	14.5
335.12808	1.9
339.12177	2.2
343.11783	8.5
349.14355	4.3
351.12283	4.5
354.14703	5.7
355.16846	1.7
361.12860	9.7
379.14340	9.4
397.16547	43.9
397.25958	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	397.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53077	0.2
55.01865	0.2
57.03437	0.2
61.02917	0.5
69.03423	0.8
70.54948	0.3
81.03418	0.5
81.07080	0.3
85.02428	0.3
85.02911	3.5
87.04447	0.2
97.02905	1.0
98.21391	0.2
127.03905	0.4
145.04939	0.3
179.03400	0.7
198.93256	0.2
205.04979	7.6
206.05768	15.1
207.06233	0.4
220.07280	0.4
235.09671	100.0
236.09998	1.4
238.34868	0.2
247.09717	0.2
303.91232	0.2
354.95486	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	397.1496
Annotation	Spicatolide A
Peak:m/z	Relative Intensity
57.07086	2.2
58.79824	0.5
69.70807	3.0
79.01873	1.8
80.95711	0.5
81.03422	0.7
81.07050	0.8
85.02924	1.9
91.05485	0.6
97.86925	0.5
98.21516	0.6
105.07029	0.6
109.02942	0.7
127.95370	0.5
128.06229	0.5
137.05981	2.2
149.84953	0.5
151.03886	0.7
151.07532	0.8
165.05530	0.7
177.05486	0.9
189.05542	0.8
195.02867	0.7
202.06148	0.6
205.05019	2.2
205.08688	1.3
206.05765	2.0
207.10204	1.1
213.09105	0.7
215.03430	0.6
216.07866	0.7
217.04999	5.9
218.05746	6.6
219.03084	1.3
219.06555	9.9
219.10103	0.6
220.07310	20.2
220.10793	1.0
223.09654	2.3
229.05026	0.7
230.05865	1.3
231.06578	2.4
232.07272	3.5
235.06023	0.7
235.09668	2.8
243.02927	1.4
243.06622	1.8
244.07309	1.4
247.06041	5.6
247.09691	81.8
248.04326	0.8
248.06825	11.4
248.10410	11.0
249.11299	0.9
249.89612	0.7
255.10049	0.7
257.08121	3.7
258.08917	4.6
259.06174	4.5
259.09665	12.3
260.06870	0.9
261.03955	1.4
261.11270	15.1
261.14035	1.0
271.06000	1.7
271.09488	1.0
272.06799	2.5
272.10477	2.1
273.11255	4.3
275.09067	3.6
277.10733	100.0
278.11038	1.7
287.09253	2.1
287.12784	15.6
289.10748	4.9
291.12314	1.3
301.10727	23.3
307.11801	5.7
313.07278	0.8
313.10727	1.6
314.08017	0.7
315.12311	6.3
319.11734	2.6
331.11777	21.0
343.11792	13.2
361.12845	33.6
362.13351	0.7
379.13907	47.1
380.14267	0.9
397.14932	95.5
398.15253	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	397.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67582	0.4
55.01882	0.6
57.03433	1.0
61.02921	0.8
69.43788	3.2
72.41048	0.4
73.02930	0.6
81.07063	0.9
85.02917	1.6
94.18094	0.5
97.02907	0.7
103.03946	1.2
107.08595	0.4
109.02869	0.6
123.27705	0.4
127.07602	0.7
138.53641	0.4
142.01671	0.4
165.01848	1.4
167.03435	0.4
177.64786	0.4
193.08669	0.7
202.06267	0.7
205.04997	0.5
206.05789	0.8
216.07861	1.5
217.05016	3.3
218.05774	10.2
219.06566	3.9
220.07341	0.9
228.07736	0.5
229.05008	2.6
230.05743	3.1
231.10179	8.6
232.07269	0.9
234.08931	1.3
235.09709	5.4
240.07762	0.9
242.05818	0.6
243.06636	3.1
243.25031	0.5
244.07318	4.9
245.07936	0.6
245.11818	4.2
247.09691	100.0
248.06827	5.7
248.10347	5.7
256.07361	0.6
257.08124	1.1
257.11588	0.5
258.08929	2.6
259.09668	8.9
259.13318	1.3
260.10492	0.5
261.07526	0.6
261.11188	2.5
267.06488	0.5
268.07437	0.8
269.11673	2.1
271.06296	0.6
271.09723	1.7
272.06842	0.6
272.10419	1.3
273.07709	1.9
273.11203	15.1
275.09128	0.9
277.10736	78.3
278.11047	0.9
280.60992	0.4
283.06027	0.9
284.06705	1.1
285.11246	2.0
287.09680	0.6
287.12784	12.6
289.10648	0.6
295.06039	0.9
296.06824	0.6
297.11273	3.6
299.08963	0.8
301.10730	39.7
313.07037	1.6
313.10657	12.3
314.07751	0.8
315.12299	2.8
316.03577	0.5
325.10745	10.3
331.11789	26.1
343.11792	20.0
353.39709	0.5
361.12857	20.9
379.13898	14.4
397.14999	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21831	1.4
53.03941	2.0
55.01859	3.2
55.05506	2.9
56.05033	2.4
57.03420	4.1
57.07077	27.7
61.02918	2.2
61.84145	1.4
67.05496	1.7
67.78880	1.5
68.05000	3.5
68.16716	1.4
69.03434	10.8
69.07061	3.9
69.86714	3.9
69.87107	3.4
70.06608	3.3
71.04982	5.3
73.02919	2.7
74.06102	1.7
80.05003	6.8
81.03411	6.0
81.07041	4.6
82.06580	5.8
83.04986	2.0
84.08144	5.9
85.02911	31.9
85.06543	4.0
87.04461	7.3
88.03973	2.4
91.03943	3.6
91.05482	3.2
93.07049	4.9
95.08616	3.5
97.02883	7.2
97.06512	2.3
98.97560	2.3
99.04447	4.3
104.96910	1.8
105.07051	2.2
107.08592	3.9
109.02868	5.6
109.10151	2.8
113.09662	3.6
115.03938	26.6
119.04946	1.7
119.08527	1.6
127.03928	13.2
133.04999	13.0
135.04372	2.0
135.11702	4.8
137.05891	1.7
145.04976	20.5
145.10077	2.9
147.04410	2.3
153.12753	25.0
159.08102	3.9
161.05963	3.7
163.03929	11.9
163.06113	2.2
163.07558	2.1
171.13838	5.2
173.09607	3.2
175.07492	1.7
175.11227	1.8
177.05528	2.0
177.09087	3.3
181.04941	8.5
181.12256	3.6
185.09648	2.1
187.03896	16.1
187.07550	5.3
189.09120	3.1
190.06429	1.7
191.06999	2.9
199.07626	1.8
199.13304	5.4
200.13428	1.8
201.09143	10.4
202.08475	1.6
203.06998	2.0
203.10672	5.6
205.04971	15.1
205.08633	3.8
207.10400	1.7
211.07578	4.4
215.10654	1.8
219.06567	5.4
219.10095	16.5
225.09158	3.6
227.10683	8.1
229.08630	11.8
231.06560	2.8
233.08174	6.0
243.10214	5.1
245.11823	4.8
247.09685	47.6
248.09148	12.8
253.08484	2.8
259.08191	3.7
268.13416	4.9
271.09644	37.2
276.08578	2.6
277.09146	6.4
286.11118	2.7
286.14340	6.8
287.12796	6.2
288.15942	3.1
294.09729	45.1
296.12805	3.9
297.11502	1.8
312.10834	9.3
314.13928	13.7
315.12036	1.7
332.14911	27.3
342.13315	2.0
360.14438	70.9
378.15491	83.1
396.16550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.1
57.07073	15.0
59.04985	2.2
69.03424	3.0
69.07071	72.1
71.04978	5.6
71.08634	9.9
73.06551	16.2
74.57974	2.0
85.02906	11.0
85.10188	7.1
89.06038	39.5
91.05456	3.0
97.02877	5.3
99.11790	1.8
111.08369	2.0
111.11726	92.9
121.06509	2.9
129.12764	100.0
143.84189	2.0
144.63927	2.1
145.04948	2.2
177.14696	2.4
199.16946	19.5
217.17961	16.1
274.06757	1.8
373.05811	6.1
409.28455	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	397.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
55.01875	1.4
55.05504	1.1
57.03421	2.1
57.07086	4.0
59.04992	1.1
61.02910	1.8
65.03268	0.6
67.05502	2.3
69.03433	4.1
69.07066	2.3
69.43440	4.8
71.04998	0.7
71.08617	0.7
79.05480	2.2
81.03427	1.4
81.07058	4.3
83.04951	0.9
85.02911	8.7
85.06545	1.3
90.73251	0.8
91.03893	0.8
91.05480	5.2
93.07047	3.6
94.04220	0.6
95.04964	1.1
95.08604	2.7
97.02896	2.1
97.06509	0.9
98.20763	1.4
103.05452	1.0
105.07049	5.8
107.04942	1.2
107.08592	3.1
109.02898	1.2
109.06515	2.4
109.10165	4.4
115.05424	1.2
117.07006	2.0
119.04980	2.0
119.08595	4.0
121.06517	6.9
121.10146	2.2
122.03687	2.2
123.08031	0.9
125.09547	0.6
127.03902	2.0
128.06213	1.0
129.07031	3.5
131.04921	1.4
131.08539	2.4
133.06531	0.9
133.10139	6.6
135.08054	7.4
135.11676	1.3
137.05986	27.7
139.03949	0.8
141.06966	1.2
142.07753	1.0
143.08565	2.4
144.05757	1.1
145.04955	1.2
145.06511	1.2
145.10121	1.9
146.07272	2.2
147.04309	1.0
147.08058	4.6
147.11659	2.2
149.05977	2.3
149.09560	0.8
149.13229	1.2
151.07562	3.6
152.06218	0.9
153.80045	0.7
154.07738	1.0
155.08566	1.8
157.06516	0.8
157.10136	2.2
158.07288	1.0
159.08044	2.2
159.11649	1.8
160.08736	1.0
161.06010	5.1
161.09624	37.6
163.03894	1.2
163.07629	0.7
165.01927	1.0
165.06972	1.8
169.06467	1.0
171.08014	1.5
172.08897	1.0
173.05966	0.8
173.09636	1.6
173.11465	0.7
175.07521	1.4
175.11209	5.2
175.14871	1.1
175.36728	0.7
177.12898	0.8
181.06546	0.9
182.07274	2.6
183.08043	1.2
184.05290	0.7
184.08778	1.2
185.06056	0.7
185.09637	2.8
187.07596	2.4
189.09164	1.5
189.12743	1.2
189.16414	2.2
191.03529	1.3
191.07047	1.7
193.05005	1.0
195.08160	0.8
197.09601	2.4
198.06834	3.9
199.07570	3.2
199.14720	1.1
200.08257	1.2
201.09166	1.3
203.10631	1.1
205.04990	9.5
206.05751	13.9
206.07620	1.2
210.06783	1.3
211.07611	1.9
212.08348	1.1
213.09138	7.9
215.10716	2.3
217.04990	2.1
217.15898	28.4
218.05775	3.0
219.02884	3.5
219.06416	1.3
220.07349	1.9
225.09065	4.4
227.10945	0.9
229.10368	1.0
230.05795	1.1
231.08165	1.2
231.10199	3.1
235.09666	100.0
235.16928	12.5
236.09953	1.7
243.06461	1.8
243.10225	6.3
244.07204	2.0
245.09598	1.1
245.11714	2.0
247.09674	35.8
248.06761	1.3
248.10417	1.8
255.10196	2.0
257.09634	0.8
259.09656	3.0
261.04010	1.0
261.09048	0.9
261.11343	0.8
264.07813	0.9
273.11234	24.8
275.10843	1.1
277.07910	1.4
277.10727	23.9
285.11575	0.8
287.12704	3.5
288.07687	0.9
289.08676	1.4
289.12091	0.8
291.10040	1.4
292.07440	1.1
293.11621	1.2
295.06146	0.7
297.11237	1.7
301.10751	12.5
303.10068	1.5
305.11725	1.5
307.09619	2.4
308.10507	1.3
313.10797	4.2
315.12283	1.1
317.11716	1.1
319.12115	1.3
320.10532	0.9
321.11200	1.6
325.10861	3.5
329.11752	0.7
331.11795	10.3
333.11017	1.0
335.12793	1.9
336.13480	1.0
339.12244	1.1
343.11826	6.7
349.14413	1.8
351.12216	2.5
353.13852	1.5
354.14633	5.2
355.16489	0.9
361.12854	7.8
367.15524	1.3
379.14078	7.6
397.16522	35.6
398.16345	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58866	2.3
55.05510	9.9
55.62490	2.4
57.07081	18.9
57.99595	2.5
67.05505	17.5
69.06750	3.5
69.07066	23.0
69.17444	12.3
69.17876	16.0
71.08637	17.3
79.05496	9.4
81.07064	50.9
83.08622	14.6
85.10194	8.9
89.06049	4.5
91.05483	15.1
93.07046	21.5
95.08614	32.6
97.10180	12.5
105.07040	20.9
107.08588	16.3
109.10162	13.8
111.11727	7.7
117.07062	12.6
119.08572	12.7
121.10162	8.1
123.11723	6.6
129.07065	2.9
131.08578	18.1
133.10143	26.5
135.11705	3.3
137.13252	4.2
143.08568	6.0
145.10120	44.7
147.11691	28.6
149.13219	3.7
157.10141	10.2
159.11682	35.7
161.13260	6.1
163.14877	3.1
171.11707	3.4
173.13274	10.3
175.14767	4.2
185.13281	6.4
187.14790	4.9
195.12297	5.4
196.12648	2.9
199.14806	8.5
213.16441	4.2
227.18011	4.5
230.15549	3.0
241.19524	5.6
247.24294	3.0
255.21202	6.5
292.23260	2.7
301.28760	2.7
395.36743	100.0
396.37085	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	395.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90956	2.8
53.03926	3.0
55.05508	11.1
57.07080	18.7
67.05508	24.3
69.07072	23.1
69.47596	16.3
69.86761	2.6
71.08631	17.0
79.05508	14.9
81.07068	61.6
83.08627	8.7
85.10179	9.7
87.82203	2.9
89.06006	5.5
91.05482	19.2
93.07047	14.8
95.08610	40.7
97.10165	9.4
98.21500	3.6
105.07037	32.7
107.08603	15.4
108.77998	2.8
109.10153	16.8
111.11728	8.8
117.06315	3.0
117.07019	17.9
119.08579	13.6
121.10174	6.1
121.79248	3.0
123.11736	4.1
125.13324	4.5
129.07001	5.3
131.08556	21.3
133.10112	25.8
135.11716	8.1
143.08577	8.6
145.10130	56.7
147.11668	22.5
149.13326	3.8
157.10146	8.3
159.11711	31.1
161.13287	11.1
163.14825	3.9
171.11737	5.1
173.13286	15.7
185.13272	5.4
187.14848	5.9
190.10887	2.9
195.12224	3.2
196.12651	3.1
199.14824	9.0
201.16327	4.2
213.16451	6.9
241.19641	6.0
395.36734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16965	0.7
57.03426	1.0
57.07081	11.2
60.04515	1.7
69.19575	6.8
70.06621	0.7
76.90894	0.8
88.03999	71.0
119.90870	0.8
137.05989	1.7
144.06577	4.7
157.10172	0.9
161.05992	5.4
175.07664	1.0
179.07077	1.4
185.09637	1.8
187.07526	1.0
187.59348	0.6
189.05507	1.3
189.09113	1.9
199.07625	0.9
199.11298	0.8
203.10667	4.1
207.06592	4.5
209.09451	0.8
213.09081	0.9
216.07765	1.0
217.08621	1.1
217.12285	1.3
225.07565	1.7
227.03450	1.4
227.10764	3.6
229.08557	1.1
231.10147	1.6
233.08203	1.0
235.06049	1.1
245.04500	1.6
245.07982	0.8
245.11804	6.0
247.09639	1.5
255.10233	2.6
263.12830	4.5
266.10330	1.0
269.08398	1.2
273.11206	6.8
283.09738	2.5
291.12311	8.9
294.09689	0.9
301.10703	2.3
311.09119	5.2
312.10767	18.2
314.13895	2.0
329.10330	2.0
332.14792	1.0
347.11313	1.1
350.15869	0.7
360.14630	1.1
378.15491	35.0
379.15994	1.1
396.16562	100.0
397.16888	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11557	2.8
56.26376	3.3
56.96304	4.2
56.96571	67.5
57.03448	4.4
59.30149	3.8
61.02925	4.8
65.03939	3.7
69.03421	6.1
69.52288	21.0
79.05487	10.0
79.70595	3.2
81.03411	10.4
81.07068	32.8
83.04987	11.0
84.96037	10.0
85.02913	26.8
91.05482	100.0
93.07055	5.5
97.02887	7.7
98.20796	6.9
98.97594	34.4
105.07030	14.6
107.04947	24.5
109.02896	3.8
109.06525	16.6
110.34471	3.2
110.97597	8.2
116.98618	11.5
119.04955	31.2
121.02876	3.2
121.06506	51.9
123.08076	53.6
127.03873	4.5
128.98611	8.3
133.06490	10.3
135.08054	14.2
139.03909	13.1
141.09113	16.2
143.00175	6.6
145.04924	4.0
146.99641	5.4
147.04419	83.0
147.08057	53.4
151.07497	5.8
158.99600	4.2
162.99139	3.7
163.03932	24.7
164.04259	4.5
165.09103	6.1
169.01694	4.4
169.08641	6.1
183.10202	10.6
195.03313	10.1
201.11357	4.4
203.00162	5.6
213.04456	8.4
221.01221	19.5
233.02742	8.9
233.13879	13.6
237.02911	4.5
239.02271	57.6
239.05885	4.0
257.03476	17.2
279.01779	10.5
281.03488	8.5
289.09647	4.0
377.01660	19.5
395.02539	8.8
395.13211	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	395.2045
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
55.05508	0.8
62.14626	0.6
67.05509	0.9
69.03425	1.1
69.07064	1.1
71.53786	0.7
78.54859	0.5
81.07058	1.2
83.08614	0.8
84.08149	0.6
85.02917	0.8
89.06055	1.2
91.05482	0.9
93.07044	1.2
95.08600	0.8
97.02942	0.6
105.07047	1.5
107.08584	1.1
108.95078	0.6
109.06507	1.0
109.10152	0.7
119.08543	0.7
121.10196	0.7
127.07459	0.5
133.10139	0.7
135.23210	0.6
144.09335	0.6
147.04443	1.4
157.10092	0.7
159.08176	0.6
163.11275	0.7
187.11179	0.6
203.05318	0.8
215.14284	0.6
233.11642	1.6
233.15318	2.1
269.17706	0.7
377.23724	0.7
395.20419	100.0
396.20792	2.4
398.76093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	100.0
67.68088	2.0
69.47641	14.7
71.95264	4.1
72.96104	2.1
74.97641	2.2
75.37479	2.4
84.96046	12.8
86.97578	2.7
91.05511	18.1
98.97598	55.9
98.98212	4.5
101.00898	3.2
107.58569	2.2
110.97585	19.8
112.99148	2.7
113.00916	2.1
115.02460	2.1
116.98647	12.7
119.01907	6.7
119.04971	27.4
124.95525	4.6
124.99206	3.4
127.02420	2.2
128.98624	13.5
131.00160	3.6
131.01955	2.6
132.98085	5.7
133.03510	2.5
134.99709	2.3
138.97057	2.2
140.98639	3.0
142.96611	1.9
143.00168	10.7
143.01920	5.0
144.98087	3.2
145.03488	7.5
146.99663	6.5
147.04440	81.2
148.04752	5.7
154.93344	2.9
156.98117	6.8
157.03482	2.6
158.99681	7.6
159.01448	2.4
159.05093	2.8
161.01225	6.1
161.02982	2.5
162.99182	4.4
163.03900	5.3
165.00758	4.3
168.09698	2.0
168.98114	2.7
173.01347	2.8
173.02826	3.5
174.99190	14.5
175.00621	3.3
177.00797	4.0
177.02354	6.6
186.99199	4.0
189.00742	3.3
189.04108	2.5
191.00282	6.4
191.02423	2.0
193.00209	10.5
193.01804	3.0
195.01721	3.5
195.03284	13.7
199.00929	4.9
201.06160	2.4
203.00258	6.2
203.04070	3.5
205.01891	3.0
207.01784	7.0
213.02516	3.4
213.04384	7.8
217.01898	2.9
219.01706	3.0
221.01245	30.6
221.03102	5.6
230.98227	2.9
231.03659	3.7
239.02322	74.8
241.01999	2.2
248.99249	8.2
251.04408	5.2
253.03967	3.6
257.01126	3.5
257.03409	26.5
263.02390	7.1
267.00290	8.8
269.05487	3.5
273.04700	2.3
277.00073	3.1
279.01794	11.1
281.03467	9.8
285.01172	3.3
289.03687	3.0
297.02872	5.1
303.01901	12.2
311.06540	4.1
315.05847	2.6
317.03534	8.3
321.02499	2.2
331.00439	2.3
335.02908	4.8
349.01047	2.5
351.09720	2.9
359.04919	2.6
377.01816	20.6
395.03110	19.2
413.03833	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	395.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16515	2.0
56.96569	100.0
70.98109	9.8
71.52628	3.2
74.97620	3.3
79.51443	2.2
81.90575	1.9
84.96046	10.2
85.02922	3.2
88.99123	2.4
91.05494	10.2
98.96949	3.4
98.97591	70.4
100.99158	9.6
101.00896	8.1
103.00644	2.8
110.97575	14.8
112.99178	3.0
113.00932	2.8
114.97106	4.7
115.00738	2.4
116.98629	19.0
117.03986	4.0
119.01942	6.5
119.04937	16.8
124.95509	9.0
124.99104	8.1
127.02419	4.4
128.98611	14.4
131.00217	3.6
131.01901	3.8
132.98076	4.5
133.03532	2.8
134.99648	2.4
140.98563	5.1
142.96579	6.3
143.00177	22.7
144.98097	4.7
145.03491	12.5
146.99661	17.9
147.04378	40.2
147.05328	2.8
148.04764	3.6
152.95009	3.3
154.01266	2.7
154.96492	3.1
156.98129	6.4
157.03517	2.4
158.99663	8.0
159.04971	3.0
161.01245	17.1
161.02994	2.7
163.03969	2.3
165.00743	13.2
169.03540	3.1
170.96063	7.9
170.99666	23.9
171.01158	4.2
172.97623	7.1
174.99153	19.0
177.00850	3.7
177.02321	4.2
179.02216	4.9
181.01683	2.6
183.01768	3.8
184.97649	2.8
185.02927	2.7
186.99150	5.9
187.04550	5.3
188.97083	10.9
189.00717	86.6
190.98669	7.4
191.00232	5.8
193.00226	10.5
195.01537	4.1
195.03290	5.9
199.00685	2.4
202.98608	6.9
203.00101	4.6
205.00197	7.2
205.01939	4.4
207.01781	81.8
213.02473	8.5
213.04311	4.6
214.95218	2.3
214.98720	10.4
217.00102	2.9
217.02019	3.8
219.01773	3.7
220.99559	3.4
221.01273	23.0
223.01012	3.0
225.02837	8.9
231.01849	8.3
232.03403	5.4
232.99779	10.6
237.02841	2.8
239.02292	58.1
241.01921	4.0
242.98079	4.0
245.05049	4.8
247.01137	3.5
249.02890	11.8
253.03935	2.5
255.03627	4.8
257.03363	13.8
260.99173	9.7
261.02792	3.8
263.02484	5.2
267.00223	7.3
267.03897	5.5
273.04541	4.7
275.00806	9.5
277.02542	4.6
279.01740	10.6
281.03455	5.6
284.99091	4.3
289.02194	12.0
293.01895	8.1
303.00467	11.9
305.07074	2.2
307.03391	4.9
315.05624	3.2
317.01523	35.2
321.01892	3.1
335.02890	23.3
377.01715	20.4
395.03015	12.4
395.09155	5.1
413.04282	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	395.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	100.0
61.01152	0.8
61.02931	1.0
65.03955	1.3
69.03441	1.3
69.16673	3.6
69.17094	4.3
70.98133	7.1
71.95274	1.8
73.17426	0.8
74.97621	1.2
76.29114	0.7
81.03440	1.1
84.96040	16.3
84.96532	1.0
85.02919	3.3
88.99162	2.1
91.05485	10.1
97.02934	2.0
97.96858	1.0
98.97592	50.9
100.99165	2.4
101.00925	0.9
102.97039	1.5
107.04995	1.1
110.97575	20.1
112.99162	2.3
113.00890	0.8
114.97112	0.9
115.00732	1.5
116.98631	14.3
116.99455	0.9
119.01944	1.7
119.04951	18.0
120.05262	0.8
124.95502	1.5
124.99150	2.8
126.97075	2.4
127.03933	2.2
128.98619	19.9
129.02232	0.8
130.93367	1.7
131.00241	1.7
131.01947	1.2
132.98100	0.9
134.99724	3.1
135.04427	1.0
139.03947	1.5
140.00194	1.1
140.98607	1.7
143.00177	8.8
143.02000	0.8
144.98128	3.3
144.99777	1.0
145.01730	1.9
145.05040	0.9
146.99683	11.7
147.04416	45.1
148.04800	2.9
150.99185	0.9
151.00745	1.8
152.98709	1.5
154.93236	1.2
154.96527	1.5
156.00467	1.1
156.98074	7.1
158.99710	6.7
159.01257	1.1
159.03326	1.0
161.01270	5.1
162.99174	2.7
163.00627	1.8
163.02725	1.1
163.03995	2.2
165.00763	5.9
168.98108	1.8
169.01762	2.2
170.96109	1.6
170.99731	1.9
171.01337	0.7
172.94406	3.5
172.97635	4.9
172.99121	1.0
173.01285	1.1
173.02975	1.0
173.04933	1.9
174.99165	18.8
175.00635	1.3
177.00761	3.7
177.02335	5.3
177.03870	1.0
181.01816	1.6
182.00914	0.9
184.97714	1.0
185.01347	1.0
186.99220	4.2
187.00757	1.2
187.02879	1.4
189.00798	5.2
189.02307	1.1
190.95518	1.8
190.98724	5.2
191.00226	5.8
191.02356	1.3
191.05952	1.1
193.00279	9.3
193.01811	2.8
193.03838	0.8
195.03329	12.6
201.00812	1.8
202.98532	1.6
203.00282	7.1
205.00261	6.7
205.01884	4.2
207.01759	6.9
207.03339	0.8
209.01335	5.3
211.02791	1.7
213.04366	10.1
214.95534	2.7
214.98785	2.7
215.05867	1.0
216.96992	1.0
217.00237	1.5
217.02013	1.1
218.98177	1.6
219.01759	5.2
220.99608	1.0
221.01266	27.8
223.01268	2.3
223.02962	2.3
224.01956	1.0
232.96461	6.5
232.99663	5.6
233.03464	3.0
235.00977	0.9
235.02972	3.9
236.00179	1.0
237.02850	5.0
239.02286	90.0
240.02628	1.3
242.98257	0.9
245.01530	4.4
247.01187	4.2
248.98932	1.8
249.00909	2.6
250.97520	1.6
251.00772	1.6
251.04514	2.5
253.04001	3.4
255.95747	0.9
257.01282	1.1
257.03391	28.4
260.99588	1.3
262.03946	1.5
263.02490	6.6
265.02380	1.8
266.97766	1.0
267.00476	3.3
269.02887	1.1
269.05542	2.3
271.05258	1.0
274.97748	1.3
275.00937	7.0
277.00241	2.6
277.02725	1.1
279.01791	13.8
281.03500	10.4
288.98834	1.0
289.04105	1.0
291.04053	2.2
292.98853	1.4
293.02087	3.4
295.01288	1.4
295.07257	0.9
297.02869	4.5
299.04321	1.0
303.00604	5.9
305.01776	1.0
306.96851	1.0
307.04993	1.6
309.05225	1.4
315.01923	2.2
317.02005	1.0
319.01407	2.3
321.02884	4.5
329.72556	0.9
330.96619	1.5
335.02841	2.2
335.06842	0.9
335.10229	5.5
348.97839	1.4
349.02423	0.8
351.04135	0.8
351.08441	0.8
352.93542	1.0
353.11377	2.5
359.00925	1.6
363.02191	1.0
377.01834	29.1
395.02863	14.3
395.08115	1.1
395.13040	1.4
413.03833	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	394.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.01622	2.0
55.01865	13.7
55.05510	3.5
57.07081	11.1
60.83966	1.1
63.57170	1.1
66.93780	1.0
67.05496	6.7
69.03423	4.8
69.07070	10.1
69.22240	3.7
69.22658	8.6
71.04997	4.2
76.78634	1.2
77.89937	1.2
79.05495	7.2
81.07068	12.1
82.76009	1.2
83.04987	2.7
85.02904	6.5
85.06547	17.7
91.05489	7.0
93.07054	17.0
95.04956	3.6
95.08615	14.0
97.02855	1.6
97.06528	11.3
98.06105	2.4
98.97588	2.4
99.04466	6.1
105.07030	12.2
107.04954	5.4
107.08597	33.7
109.06518	7.4
109.10156	2.2
111.08092	4.3
113.06026	5.9
119.04953	11.3
119.08580	3.0
121.06507	8.4
121.10140	13.4
123.08054	6.5
125.05981	2.2
127.03919	1.5
127.07537	1.7
131.08554	1.3
133.06474	3.2
135.08113	1.8
135.11682	9.1
137.09706	1.2
139.11168	1.6
139.39047	1.1
145.10127	12.0
147.04414	44.0
147.11702	1.8
149.06004	1.4
149.09616	8.0
151.07549	7.8
157.04953	2.1
163.11189	28.7
167.10669	14.1
169.08611	84.7
173.09601	2.5
181.12224	14.9
181.13696	1.4
185.11807	4.4
191.10663	13.6
191.12161	1.7
192.88817	1.4
197.11786	11.6
197.15399	5.0
209.11659	11.2
215.12749	2.2
227.12791	100.0
228.12982	1.4
232.13445	1.7
233.11780	5.8
248.11293	4.3
262.10739	11.5
323.14969	2.6
331.78952	1.3
341.15961	7.6
359.16788	3.0
394.18622	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	394.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.05509	14.1
57.03438	1.8
57.07058	1.0
61.02931	1.6
67.05499	6.4
69.03435	4.4
69.07057	1.7
69.81584	1.2
69.81840	4.9
70.06567	1.1
71.05002	1.2
71.78828	0.9
72.89667	1.0
79.05503	5.0
81.03407	1.5
81.07058	8.2
83.04984	17.0
84.04518	9.1
85.02902	8.2
85.06511	1.3
88.03997	1.1
91.05489	9.1
93.07051	11.0
95.04974	3.7
95.08611	11.5
97.02914	2.5
97.06532	2.2
98.06043	1.3
99.04437	1.8
103.03917	1.3
105.07034	30.6
107.08601	13.7
109.02871	1.6
109.06537	2.9
109.10166	9.5
111.08104	1.4
113.05939	1.3
115.96134	1.0
116.18307	0.9
117.06994	1.4
119.08599	4.5
121.06503	4.5
121.10147	3.6
123.08074	29.5
123.11635	1.9
125.09553	1.0
126.05547	2.0
127.03882	2.6
131.08542	2.7
133.10135	78.0
135.11687	1.6
137.05887	1.2
137.09624	5.7
139.11183	0.9
150.82599	1.1
151.11186	13.1
155.10660	1.5
161.09633	7.6
169.12254	1.4
179.10680	78.4
186.07571	3.6
197.11736	100.0
202.39861	1.0
215.12738	7.6
216.08786	1.5
217.09187	2.3
229.22156	1.1
256.61850	1.0
318.58008	1.0
394.14865	1.9
394.22327	6.9
395.54138	1.0
407.10568	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.9
55.01886	2.9
56.05040	3.0
56.96572	31.7
57.03439	2.3
59.12678	1.8
60.04534	2.3
61.02940	2.6
65.03950	3.9
69.03429	12.4
69.07050	1.9
69.18819	10.7
69.19251	8.8
70.06579	2.4
72.08155	2.3
79.05505	7.5
81.03420	3.3
81.07068	2.3
84.04509	9.4
84.08154	67.0
84.96041	6.7
85.02911	20.6
86.09693	3.5
89.03909	12.3
91.05483	22.2
92.02142	1.9
92.33588	2.0
97.02909	7.8
97.36169	2.1
98.21538	4.5
98.97603	32.1
102.09196	2.4
107.04957	12.8
109.02892	2.3
110.97581	8.7
112.99175	2.5
116.98646	12.2
117.03377	14.8
119.04964	46.9
120.08131	7.3
121.06516	3.8
122.06016	2.3
127.03913	6.4
128.98630	8.8
135.04430	27.8
137.05980	37.0
139.03908	8.3
139.33522	2.1
141.13916	3.7
143.00168	6.3
145.02863	6.5
145.04991	5.1
146.99640	2.4
147.04425	100.0
148.04745	3.9
149.05984	5.9
151.07573	7.8
158.99701	5.1
161.01259	2.5
163.03922	76.2
163.07607	2.9
164.04330	4.1
165.50870	2.1
166.08681	5.3
167.07079	18.8
169.13367	4.2
177.00732	3.4
177.05630	2.2
177.24211	2.1
179.05476	3.4
179.07056	71.1
193.93269	2.2
197.08102	5.8
198.72964	2.2
207.03424	2.7
208.60498	1.9
216.82561	1.9
219.01790	8.8
220.02081	2.2
221.01283	7.9
225.04591	2.3
225.16032	2.8
235.02809	4.0
237.02731	12.8
238.01149	2.6
239.02319	19.7
257.03391	4.1
261.16107	2.0
263.08774	2.9
287.93558	2.3
302.17212	6.3
311.11386	7.5
330.20206	18.2
345.17255	2.2
371.10019	3.3
377.02264	4.7
394.20160	13.3
415.09073	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	394.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52094	2.0
54.07452	2.1
55.05505	12.1
57.03437	5.8
59.05000	2.1
61.71336	2.2
67.05513	25.0
69.03419	7.6
69.07067	20.6
69.74031	12.8
71.04991	6.2
79.05486	15.8
81.03448	2.4
81.07055	93.5
83.04966	6.1
83.08619	11.9
85.02911	20.2
85.06538	9.4
91.05481	25.5
93.07049	16.4
95.04982	5.0
95.08603	35.7
97.02885	4.3
97.06544	13.5
97.10136	3.5
99.04406	2.6
99.08086	6.9
99.89721	2.3
105.07030	39.6
107.08564	13.1
109.02901	4.4
109.06518	7.3
119.08590	33.4
121.10126	26.7
123.08060	5.1
123.11723	21.9
123.82881	2.2
127.03912	4.2
127.07564	3.2
132.35973	2.6
133.10132	10.5
135.11737	6.1
137.13234	7.1
145.04958	3.3
147.10513	4.1
147.11693	78.3
149.04521	3.6
157.10152	3.3
161.13245	31.0
165.12744	45.2
175.11189	7.9
179.14311	40.6
183.13806	5.6
186.16008	3.0
193.12222	18.4
197.15378	22.1
203.05302	2.3
229.14359	19.8
291.88742	2.2
295.15610	4.6
313.16470	6.2
323.14786	13.9
341.15933	100.0
359.16995	14.8
394.19400	10.6
395.20096	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	393.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.3
55.05501	24.0
57.07085	39.8
58.39656	6.3
67.05492	37.5
69.03425	10.7
69.07062	27.4
69.31272	5.5
71.08629	21.8
71.53673	8.0
79.05508	36.3
81.07060	87.2
83.08597	14.7
85.06569	7.9
85.10180	16.8
91.05492	51.1
93.07050	77.1
94.72823	6.4
95.04958	60.5
95.08620	67.8
97.06507	10.5
97.10159	7.7
98.98479	61.3
105.07036	91.9
107.08598	62.0
109.06520	9.7
109.10143	28.8
117.07012	23.6
119.08592	100.0
121.06504	23.5
121.10148	28.9
123.11670	8.4
128.06224	14.2
129.07031	13.8
130.07784	8.1
131.08568	48.6
133.10139	49.6
133.85393	6.0
135.11668	21.0
142.07733	17.6
143.08572	35.6
144.09372	13.2
145.10130	60.8
147.11674	27.5
155.01035	96.4
155.08514	11.5
156.09366	13.2
157.10139	50.6
159.11705	49.3
161.09653	16.2
161.13284	7.3
163.11089	8.8
169.10130	28.4
171.11662	24.0
173.13248	21.4
175.11235	11.1
175.14833	15.7
179.08636	8.0
181.10072	11.8
183.11702	24.7
185.13271	13.0
187.11124	10.7
187.14764	16.7
193.10080	7.1
195.11835	13.5
197.13275	20.1
209.13297	13.0
211.14867	7.1
223.14795	12.6
235.14874	8.0
239.23625	8.7
255.91197	7.2
260.67407	5.9
376.25809	14.2
393.27460	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	393.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30766	1.5
55.05279	2.5
55.05515	35.0
57.07078	20.2
62.90456	1.6
67.05489	6.0
69.07075	31.2
70.58608	5.0
71.08621	4.5
79.05478	6.5
81.07058	36.8
83.08624	100.0
91.05476	2.9
93.07046	6.1
95.08615	10.2
97.10178	14.6
98.20848	2.1
105.07048	8.5
107.08609	10.3
109.10141	5.8
117.07008	3.3
119.08572	6.4
120.62601	1.7
121.10137	5.2
123.11733	3.1
129.07008	1.8
131.08543	4.9
133.10121	6.9
143.08527	3.9
145.10109	10.4
147.11682	4.8
157.10130	12.2
159.11697	6.4
161.13232	2.6
171.11742	3.4
173.13232	2.6
183.11681	2.3
185.13239	3.9
197.13303	2.2
199.14810	3.8
201.16302	2.1
206.45886	1.6
213.16348	2.1
215.17944	2.5
225.16360	1.7
227.17970	2.3
239.17896	3.1
253.19514	4.4
295.24191	7.2
309.25793	4.7
376.25906	3.1
393.35202	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70578	1.5
55.05515	6.7
57.07063	2.0
59.04743	1.6
61.02924	2.9
67.05505	4.9
68.05022	1.8
69.03427	4.0
69.07069	9.4
70.06592	2.4
71.04996	3.6
71.53744	2.3
73.02924	2.2
79.05492	5.7
80.05048	1.5
81.03410	1.6
81.07067	14.0
83.04983	3.6
83.08617	6.2
83.63834	1.6
85.02922	8.3
85.06541	5.3
86.09716	2.4
91.05473	4.7
93.07053	11.6
95.04956	2.9
95.08623	23.6
97.02884	3.4
97.10181	4.3
99.08091	7.6
105.07018	5.0
107.04908	1.7
107.08607	22.0
109.02950	1.7
109.06578	1.8
109.10175	8.5
111.08072	3.4
113.09639	1.7
119.04948	2.2
119.08556	2.2
121.10151	40.9
123.04428	1.8
123.11711	3.2
124.04987	2.0
125.09657	4.8
127.03936	2.5
127.11160	1.7
127.61537	1.6
130.96751	1.7
131.44209	1.5
133.10146	3.7
135.11710	6.5
137.05945	1.9
137.09558	1.8
137.13281	2.7
139.11174	1.5
145.04950	2.0
145.10156	1.8
147.04379	2.4
149.06021	1.8
149.13293	3.4
151.03922	4.3
159.11684	2.5
163.03940	1.7
163.77815	1.4
171.97195	2.0
177.16403	79.0
179.10681	2.6
195.17471	29.5
197.11755	2.8
203.08057	1.8
204.08852	6.9
213.18535	12.7
215.08154	1.9
216.08824	100.0
217.09410	2.2
218.10408	5.2
219.16916	1.8
225.06406	9.6
226.07297	4.0
230.10393	10.0
231.19572	7.0
240.08807	53.6
241.09250	2.1
246.09810	7.9
268.08374	5.4
272.11478	6.0
300.10925	50.4
301.11209	2.2
343.11530	3.3
361.12292	4.9
375.13947	6.6
393.09912	3.9
393.15042	36.4
394.15182	1.9
401.59256	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.2
55.01872	2.6
55.05513	17.0
57.07072	8.6
64.85684	2.3
65.03923	3.7
67.05508	33.5
69.03418	2.5
69.07066	19.5
69.85242	6.4
69.85652	4.8
77.03951	2.5
79.05493	35.5
81.03413	2.7
81.07060	62.1
83.04967	5.5
83.08611	8.8
85.06551	4.7
85.91502	1.9
91.05488	58.5
93.07049	87.4
95.04975	56.5
95.08611	61.9
97.06529	14.5
103.05503	5.1
105.04528	3.2
105.07037	100.0
107.08605	61.1
109.06525	22.3
109.10164	26.7
115.05476	8.0
117.07029	18.6
119.04926	3.0
119.06005	2.1
119.08585	93.8
121.06509	22.4
121.10144	40.5
123.08076	6.9
123.11726	10.4
128.06244	12.9
129.07004	19.9
130.07814	11.8
131.08582	44.9
133.06505	2.3
133.10135	49.2
135.08064	6.1
135.11696	19.8
137.09608	3.5
141.07018	6.7
142.07782	24.0
143.08582	39.7
144.09360	11.7
145.06435	4.1
145.10138	68.0
147.08119	2.5
147.11662	21.6
149.09627	3.9
149.13289	4.4
154.07849	2.8
155.01190	2.7
155.08548	11.7
156.09369	11.5
157.10136	56.2
158.10902	6.0
159.08055	4.4
159.11705	48.2
161.09618	18.6
161.13277	8.5
163.11249	3.0
165.07024	4.9
167.08569	6.0
168.09349	4.8
169.10146	24.7
170.10905	4.5
171.11697	26.9
172.12476	3.4
173.09619	4.4
173.13289	24.3
175.11226	13.4
175.14824	19.1
178.07864	2.8
179.08640	7.7
180.09439	2.6
181.10115	12.4
182.10974	3.4
183.11719	18.4
184.12473	4.3
185.13289	14.4
187.11168	10.5
187.14790	12.7
191.14392	2.1
193.10133	7.1
194.10867	4.0
195.11725	10.3
196.12444	4.2
197.13258	20.5
199.11278	3.9
199.14737	10.6
201.12790	3.5
201.16405	10.5
205.10281	3.3
206.10965	2.5
207.11623	4.7
208.12479	2.6
209.13318	19.3
210.14084	3.7
211.14847	9.6
213.16417	6.9
215.14281	2.5
219.11742	2.1
219.17441	3.6
220.12431	3.1
221.13290	5.7
223.14871	7.2
224.15501	2.1
225.16423	4.6
227.14290	3.1
235.14813	7.3
237.16434	2.3
240.15256	2.2
241.19489	2.9
253.15906	6.3
253.19322	2.4
265.19598	4.8
266.20328	3.5
271.20630	3.4
279.21014	2.7
281.19009	2.5
283.20529	2.6
295.20633	2.9
302.96115	2.2
304.26355	2.6
319.20563	2.5
328.32971	2.3
375.26868	7.9
376.25983	3.4
393.27649	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	393.1889
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
50.03012	0.3
53.03934	0.4
55.05494	0.5
56.67853	0.3
57.53432	0.3
67.05502	0.5
69.03413	0.9
69.07075	0.7
71.04994	0.3
71.53828	0.5
77.52225	0.3
79.05478	0.6
81.03420	0.5
81.07064	1.0
85.02931	0.6
85.06586	0.3
87.04582	0.4
91.05471	0.5
93.07080	0.5
95.08616	0.8
98.21007	0.4
105.07059	0.5
107.08559	0.4
109.06526	0.4
109.10156	0.7
115.99090	0.3
119.08516	0.4
121.10166	0.5
123.08067	0.7
127.03916	0.4
133.10139	0.5
135.11717	0.8
139.03993	0.4
145.10132	0.7
153.44957	0.3
196.14229	0.7
201.09373	0.3
203.05243	3.2
213.12662	0.7
217.08633	0.4
237.11249	1.2
349.70584	0.3
393.18887	100.0
394.14615	0.5
394.18997	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	393.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
55.05515	7.1
57.03448	2.1
57.07066	3.3
61.02909	1.6
67.05500	4.7
68.05005	1.5
69.03434	4.8
69.07070	9.6
69.31504	1.3
70.06583	2.8
70.85464	1.7
70.85802	2.8
71.04980	3.1
79.05485	4.6
79.34245	1.4
81.03412	1.9
81.07062	14.3
83.04973	2.1
83.08627	6.4
85.02921	8.3
85.06548	5.1
86.09710	2.1
91.05488	5.4
93.07051	11.8
95.04959	1.8
95.08607	24.4
97.02905	3.2
97.06528	2.5
97.10165	4.1
99.04430	2.1
99.08105	8.1
105.07017	3.2
107.08592	22.1
109.02843	1.9
109.10157	10.0
111.08071	2.5
119.08590	3.7
120.08117	2.8
121.06526	1.4
121.10139	30.1
123.04403	2.4
123.08028	2.0
123.11714	3.7
125.09647	4.3
127.03931	2.1
133.10135	4.3
135.11688	7.8
137.13272	4.8
139.03926	2.7
139.11226	2.6
147.04427	2.7
149.05974	1.7
149.13284	2.2
151.03946	3.4
151.11237	2.2
177.05528	2.2
177.16388	74.2
179.10600	1.7
188.61591	1.5
195.17451	30.7
202.07188	1.5
204.08849	5.3
213.18506	12.9
216.08812	100.0
217.09499	2.8
218.10341	3.8
225.06430	9.5
226.07249	3.8
230.10472	7.9
230.12332	1.4
231.19481	8.7
240.08806	52.4
240.11278	2.5
241.05045	1.5
241.09492	3.9
246.09846	7.0
247.04984	1.5
258.09888	1.5
268.08362	3.7
268.82230	1.5
272.11407	3.4
300.10934	56.1
301.11288	1.4
333.13071	2.2
361.12643	5.1
375.13980	5.2
375.18423	1.5
393.09976	2.5
393.15213	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.0
55.05516	8.7
57.03417	2.3
57.07055	2.0
67.05509	20.9
68.05904	1.6
69.03394	2.3
69.07076	16.4
69.42979	12.8
70.38951	1.5
71.04994	2.4
71.08605	1.9
79.05499	12.4
81.07061	70.2
83.01318	2.4
83.04969	4.6
83.08625	8.1
85.02920	2.2
85.06538	6.1
85.38582	1.6
91.05475	20.4
93.07066	12.8
95.08605	12.8
97.06517	6.4
99.08114	2.8
101.02375	5.6
101.34248	1.7
105.07033	35.9
107.08599	14.0
109.06525	5.9
111.08022	2.0
119.08582	32.5
121.10133	23.3
123.08020	2.5
123.11714	37.0
127.07555	4.9
129.01826	10.9
133.10139	4.3
137.13232	5.1
147.11693	100.0
149.02336	6.3
150.02748	2.4
157.10124	2.7
165.12769	74.1
174.49033	1.6
175.11159	4.7
183.13802	17.1
193.12259	13.3
195.13860	4.5
211.13316	10.7
229.14355	87.0
230.14807	2.2
279.05481	2.2
311.14911	39.8
313.51794	1.7
321.13467	2.6
329.15927	2.1
332.36285	1.6
339.14377	21.8
357.15439	22.1
383.19482	1.8
386.20032	1.7
393.18851	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	392.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03059	5.3
55.05503	12.0
56.77301	4.6
57.03437	5.8
66.43029	4.3
67.05514	27.2
69.07058	17.0
71.08633	7.8
79.05483	19.5
81.07063	83.2
83.04984	7.6
83.08627	11.9
85.06549	11.6
91.05489	28.0
93.07056	13.8
95.04976	5.1
95.08598	21.5
97.06526	8.2
105.07054	47.8
107.08594	15.9
109.06525	8.0
118.68018	4.9
119.08585	41.4
121.10152	28.9
123.11710	31.2
131.08536	6.2
133.10136	17.3
139.66769	5.3
144.46478	5.4
147.11702	100.0
149.02333	20.0
150.02679	11.1
151.42117	5.6
157.10190	6.1
162.90659	4.7
165.12776	71.7
175.11180	12.1
193.12259	41.7
197.15425	40.4
205.91948	4.9
219.71227	4.8
225.14859	42.1
229.14337	11.9
242.04332	5.5
243.15886	52.4
282.78455	5.9
297.16916	10.9
306.82089	5.5
325.16458	45.2
339.18082	15.9
357.19257	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	393.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.4
56.90264	0.4
57.03415	0.4
57.07067	0.5
58.93924	0.3
67.05482	0.8
68.05024	1.4
69.07055	1.4
70.06602	0.5
71.04980	0.6
71.24088	0.4
71.24421	0.6
72.94646	0.3
73.02917	0.6
79.05480	1.0
81.07069	2.2
81.63290	0.3
83.08620	0.7
85.02914	0.9
85.06541	1.1
86.09708	0.4
91.05494	0.8
93.07054	1.9
95.08621	4.7
97.02882	0.5
97.10197	0.5
99.08102	0.6
107.08594	3.2
109.10177	2.5
111.04445	0.4
116.01711	0.4
121.10155	4.1
123.11680	1.0
124.05106	0.4
125.05969	0.6
127.03977	0.4
130.05040	0.8
135.11708	1.1
137.05971	0.8
137.13246	0.5
140.03444	0.6
148.50186	0.4
149.04625	0.6
151.03899	1.2
164.39229	0.3
165.09044	0.4
166.07236	0.9
172.06042	1.0
177.14850	0.4
177.16414	8.8
183.17462	0.9
189.06538	0.5
195.17473	4.6
197.08034	1.0
201.06413	1.1
202.07246	1.3
203.08008	1.9
204.08815	6.7
213.04866	0.4
213.09032	0.4
213.18524	1.7
215.08038	1.6
216.08838	100.0
217.09581	2.6
218.10394	4.7
225.06480	9.3
226.07269	3.4
227.08051	1.3
228.08812	0.6
229.09628	1.2
230.10410	9.2
231.19524	2.6
240.08833	53.8
241.09604	2.1
242.10373	0.5
246.09911	7.5
258.09851	2.0
268.08334	5.0
272.11493	3.7
283.09406	1.4
286.09543	0.5
300.10953	52.4
301.11304	0.8
305.19827	0.5
311.09021	1.0
315.12109	1.4
333.13120	2.8
343.11414	2.3
361.12610	5.1
375.14172	6.5
393.15210	38.2
394.15280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83204	0.3
53.03926	0.3
54.23345	0.3
55.01896	0.3
57.03431	0.7
61.02922	0.5
69.03439	2.4
69.41256	0.3
70.06586	1.1
71.04980	0.4
71.16813	0.2
71.52436	0.5
73.02927	0.5
79.71122	0.3
81.03400	2.0
85.02911	6.8
87.04464	1.6
91.05449	0.7
93.07076	0.4
97.02895	2.6
98.06060	14.3
98.97548	0.3
99.04498	0.7
99.06820	0.3
100.07603	0.5
109.02879	1.5
115.03934	3.4
116.07097	100.0
117.07449	0.5
119.04968	0.8
127.03921	3.2
145.04956	2.5
147.04413	3.1
149.02353	0.8
169.04933	0.5
197.81427	0.3
213.07668	0.5
259.08234	0.8
265.11215	0.5
277.09171	0.3
278.12350	0.7
320.82565	0.3
374.14426	1.1
392.10324	0.8
392.15253	0.7
392.19479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81380	0.7
55.01860	1.2
55.05502	1.0
57.03408	0.8
61.02926	0.9
67.05484	1.0
68.17760	0.7
69.03414	2.8
69.18500	2.1
69.18907	3.9
70.06589	1.5
71.04980	1.0
72.08126	0.7
73.57581	0.7
77.78777	0.6
79.05482	3.0
81.03411	1.1
81.07041	1.1
85.02903	8.9
91.05472	2.2
93.07041	1.6
95.04935	0.8
95.08605	0.9
97.02887	1.9
98.06049	1.3
98.20717	1.3
99.08102	0.7
103.05431	2.0
105.07022	2.7
107.04960	27.9
107.08588	2.2
109.02834	0.9
111.04455	0.7
115.05459	1.5
115.35615	0.7
116.07106	5.1
117.06970	1.0
121.02813	0.8
121.06509	1.3
121.10130	1.2
122.02723	0.8
123.04440	1.1
123.08042	0.9
124.05195	0.9
125.09605	1.2
127.03883	2.0
128.10345	0.6
131.04955	1.7
135.08055	10.2
137.06017	1.2
137.09708	0.6
145.04942	0.9
145.07587	0.8
147.04402	1.4
149.02341	1.5
149.05980	1.0
149.09569	0.7
153.36681	0.8
154.06194	1.2
163.07542	26.4
163.14760	0.7
164.15172	0.9
164.76695	0.8
167.07045	70.5
177.09122	0.9
180.07835	1.8
181.08473	1.5
195.06451	0.8
195.10179	29.0
213.11223	100.0
214.11540	1.4
220.15047	0.7
370.80573	0.8
392.08374	5.7
393.09348	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2331
Annotation	Sammangaoside B
Peak:m/z	Relative Intensity
55.05510	4.8
67.05515	6.0
69.03445	2.0
69.07077	6.1
69.19839	9.3
69.20252	2.6
70.87652	1.2
79.05512	1.4
81.07059	10.0
83.08620	4.2
85.02901	5.8
85.06550	3.2
86.30479	1.1
91.05466	1.7
93.07059	6.2
95.05046	1.3
95.08618	37.2
97.02929	1.7
97.06518	1.2
97.10168	1.6
105.07021	1.6
107.08616	4.7
109.10181	13.6
115.07589	2.5
119.08636	5.5
121.10151	4.3
123.11714	4.8
133.10144	4.0
134.10513	2.0
135.11684	6.1
137.09622	3.2
139.11180	3.0
149.02359	5.0
149.13278	3.6
151.11237	1.3
159.11703	1.4
163.14856	7.5
165.16380	1.5
172.03366	1.2
175.14828	9.5
181.15851	8.8
193.15909	9.8
194.87122	1.1
211.16951	100.0
229.08615	2.0
229.18042	8.6
253.13417	1.2
268.44666	1.2
301.79233	1.2
373.22589	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2329
Annotation	Sammangaoside B
Peak:m/z	Relative Intensity
53.03940	1.9
55.05519	10.6
55.12637	1.3
55.39281	1.3
57.03435	1.9
57.07063	2.9
59.04996	3.4
61.02912	1.7
67.05505	5.1
67.98608	1.3
69.03438	10.5
69.07058	5.7
69.07375	1.3
70.93397	3.1
71.04985	3.9
74.21149	1.2
74.84351	1.3
79.05457	1.5
81.03432	1.7
81.07049	6.3
83.04994	14.8
83.08627	11.4
85.02914	15.4
85.06550	5.9
93.07046	6.5
95.04947	3.3
95.08605	7.6
97.02875	3.2
97.06505	1.9
97.10149	2.0
99.08101	4.1
101.06015	2.9
105.07019	2.2
107.08592	10.1
109.02811	1.7
109.10166	29.4
111.08013	2.0
119.08504	2.5
121.10113	4.3
123.11718	15.5
125.09641	9.0
127.03918	3.3
127.11203	13.0
133.10147	4.4
135.11722	9.9
137.09644	1.9
139.03860	1.5
141.89162	1.5
149.02380	10.1
149.13251	6.0
149.75244	1.4
151.11171	4.0
167.14331	15.2
169.12259	24.6
170.12595	1.6
175.14841	5.2
185.15407	10.3
193.15878	6.9
211.14890	2.4
211.16945	64.8
229.18008	100.0
230.11746	1.6
238.68413	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2326
Annotation	Sammangaoside B
Peak:m/z	Relative Intensity
55.05510	15.6
57.03439	3.6
57.07072	5.1
59.04991	4.1
61.02942	1.7
63.54987	1.6
67.05505	7.7
69.03432	12.5
69.07059	6.1
70.47329	1.8
70.47679	4.5
71.04990	12.6
71.08630	2.5
71.97193	1.5
73.02921	1.7
79.05499	2.6
81.03412	3.1
81.07053	8.3
83.04983	21.7
83.08623	12.1
85.02427	2.4
85.02902	20.7
85.06552	9.0
87.04493	2.1
89.13188	1.5
91.05495	2.7
93.07049	6.6
95.05020	2.0
95.08601	6.6
97.02909	3.7
97.06545	2.6
97.10192	1.8
99.08101	10.3
101.06003	2.0
105.07019	2.2
107.04970	3.7
107.08609	10.9
109.06465	2.0
109.10156	32.7
111.08105	3.6
112.83686	1.8
113.06018	2.1
119.08597	4.1
121.10116	6.9
122.10476	1.9
123.11705	16.5
124.12101	2.9
125.09609	8.8
127.03908	4.5
127.11176	13.4
133.10123	6.8
134.10428	1.6
135.11690	6.6
137.09624	3.2
141.12694	2.2
145.04997	3.8
147.10298	1.5
149.02341	18.3
149.13245	5.2
151.11168	6.2
167.03435	2.6
167.14343	16.2
169.12236	28.0
175.14871	4.5
176.15051	1.6
185.15353	13.1
193.15909	14.5
194.16225	13.4
211.16936	72.8
212.17299	4.4
227.01685	1.6
229.17996	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.8
55.05509	1.0
56.44651	0.9
69.03442	1.4
69.68637	1.8
69.69039	4.2
71.04993	1.6
79.05489	1.1
81.07050	1.4
85.02916	1.8
90.10645	0.8
91.05521	0.8
93.07053	1.1
94.06586	0.9
95.04972	1.0
95.08614	1.6
98.56153	0.8
107.08606	0.8
109.10146	1.0
119.08559	1.6
121.02867	7.7
121.10232	0.9
123.04436	2.3
130.06541	1.0
138.05496	2.1
139.03935	1.9
145.02815	1.7
146.05951	1.3
146.30762	0.7
147.04366	1.1
148.07608	2.2
148.13318	0.7
149.02380	8.4
161.06015	1.1
164.21579	0.7
166.05019	2.1
166.11035	0.7
168.06425	0.8
170.09644	0.8
175.14818	1.1
176.07080	0.8
186.09242	0.9
189.01878	1.8
189.10257	1.4
193.15887	0.9
197.10796	2.1
199.03906	1.7
199.08690	1.8
203.03339	1.7
207.02901	1.3
210.07748	0.9
211.08691	10.3
211.12254	1.6
211.16830	1.0
212.09453	3.4
213.10240	4.8
217.04974	1.9
221.10840	1.9
222.09154	3.5
223.12270	1.4
224.09172	1.3
224.10953	1.8
225.06842	3.9
225.10245	20.5
226.10930	2.8
227.03416	1.4
227.11868	2.5
228.10210	1.7
229.09727	3.3
229.17920	1.3
238.11066	0.9
239.08096	2.2
239.11826	19.1
240.08894	1.2
241.09756	4.0
241.13315	1.8
243.07707	1.0
243.11259	1.4
245.04543	1.2
245.12894	24.6
249.10233	2.1
252.08701	3.6
253.09731	11.8
254.10443	2.4
255.11320	4.5
257.12875	8.4
259.10785	1.3
267.11288	25.0
268.12036	3.1
269.12842	2.4
273.12259	1.4
279.11136	1.4
281.09262	0.9
283.10779	3.1
284.11548	3.4
285.09186	1.2
285.12378	14.6
294.05212	1.9
295.05853	2.0
295.10803	19.4
297.12335	2.4
301.11951	6.1
307.06137	6.3
307.09332	1.6
308.06570	1.2
313.11844	100.0
314.12155	2.2
315.13300	2.2
317.07950	1.0
320.06665	1.8
321.07425	5.0
323.10272	2.4
329.07892	1.1
331.12878	30.7
333.07504	1.8
334.08389	1.9
335.09198	4.6
341.11331	10.6
345.07611	5.3
345.14359	1.1
349.07043	1.8
356.09378	1.0
359.12390	32.3
362.07684	1.1
363.08615	5.8
373.06671	2.4
373.13995	33.1
377.13605	1.1
391.08093	51.4
391.14941	48.3
392.08499	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40956	2.7
55.05518	12.1
57.03440	3.2
57.07068	10.3
59.05011	5.4
67.05510	26.2
69.03428	8.7
69.07072	20.9
70.06576	2.0
70.68031	4.4
71.05015	11.2
71.08632	4.0
79.05495	7.5
81.07069	33.8
83.04993	10.4
83.08622	7.9
85.02909	13.5
85.06544	7.7
91.05472	9.3
93.07058	23.3
95.05012	4.8
95.08617	56.0
97.02927	3.6
97.06556	5.2
97.10149	3.9
99.08119	2.4
100.89362	2.4
105.07045	17.1
107.08611	34.9
109.06538	10.5
109.09475	4.3
109.10172	57.1
111.08078	6.1
112.50836	2.0
118.04446	2.1
119.08595	62.6
121.10189	12.5
123.08076	13.0
123.11731	29.5
125.09672	5.7
130.06560	19.6
132.04466	6.9
133.10165	24.4
135.11699	45.0
136.57724	2.7
137.09628	21.3
139.11133	2.5
147.11723	5.9
149.02351	30.4
149.13284	14.8
151.11194	5.4
151.14803	11.1
153.12799	2.8
155.10667	5.1
158.06079	4.8
159.11703	2.7
165.16397	4.4
175.08659	3.4
175.14835	85.6
193.15906	100.0
197.95518	2.6
211.16956	92.8
246.12459	2.9
257.09262	14.1
257.97003	2.5
271.09503	2.8
274.11951	6.7
289.10843	4.4
301.10953	2.6
343.11932	3.8
355.12091	4.7
373.13080	4.8
373.18088	2.6
391.08112	6.8
391.14182	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	391.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
57.03426	0.9
57.07065	1.8
61.02933	1.1
65.16306	0.4
67.05504	1.6
67.08875	0.4
69.03428	3.0
69.07064	1.2
70.06586	0.6
70.11929	1.4
71.04981	1.1
71.08613	1.3
73.02903	0.5
78.09351	0.4
81.03416	1.4
81.07048	2.0
83.04981	2.2
83.08610	1.4
85.02913	5.1
85.06541	1.8
90.47617	0.5
91.05482	0.7
93.07043	1.5
95.04967	0.5
95.08601	1.0
97.02888	2.9
97.06546	0.5
97.10144	0.7
99.08103	0.8
100.84740	0.5
105.03413	0.5
105.07034	1.0
107.08587	2.5
109.02895	0.7
109.06494	0.6
109.10165	4.1
119.08549	0.6
121.10165	0.5
123.11722	1.8
125.09669	0.8
127.03922	1.8
127.11220	1.5
131.08534	0.5
133.10110	0.9
135.07957	0.6
135.11603	1.0
136.73878	0.5
136.86607	0.4
137.09637	0.6
149.02365	9.7
151.11189	0.6
159.11752	0.6
167.03441	1.3
167.14355	1.5
169.12256	1.9
171.08073	0.6
175.14922	0.8
179.98360	0.5
185.04256	1.1
185.15349	1.1
191.41698	0.5
193.15936	1.5
211.16960	7.3
229.14473	0.6
229.18031	9.8
269.09982	24.0
316.89267	0.5
391.13660	100.0
392.13974	1.7
409.49652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.3
56.49614	1.5
57.03435	2.1
59.04995	4.1
67.05501	5.4
69.03443	2.3
69.07060	6.2
71.04995	2.6
71.54647	2.7
79.05487	4.8
81.07059	20.7
83.04964	2.0
83.08616	2.5
85.02912	5.2
91.05489	4.9
93.07045	14.5
95.04955	6.0
95.08616	17.1
97.02903	2.2
97.06528	1.7
105.07047	12.4
107.08613	9.1
109.02840	2.4
109.06554	10.2
109.10166	15.3
119.08581	26.5
121.10135	6.0
123.04438	4.7
123.08055	3.8
123.11684	2.6
125.00542	2.8
129.05446	2.2
133.10136	13.5
135.11697	24.3
137.09602	11.2
139.03911	2.1
143.07047	2.2
145.04927	2.0
145.10078	2.2
147.11755	7.1
149.13254	8.1
151.03918	4.2
152.59842	1.7
175.11288	3.6
175.14816	38.9
193.08569	2.8
193.12219	6.5
193.15895	100.0
194.08952	3.8
211.13474	3.5
211.16940	60.7
228.04782	35.2
229.05188	1.6
237.11066	1.7
238.11531	2.8
390.10086	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	390.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30122	1.4
55.05515	1.8
57.03438	2.5
57.22635	1.5
61.02923	2.8
67.05499	3.3
69.03410	2.7
69.07066	6.8
70.66174	3.7
70.66512	1.7
71.04983	5.7
79.05489	1.9
81.07059	10.2
83.04960	1.7
83.08617	4.1
85.02885	9.5
91.05495	1.8
93.07040	8.2
95.04963	2.1
95.08590	8.9
97.02880	2.6
97.06529	7.1
99.04420	2.5
105.07026	5.4
106.07409	2.2
107.07957	1.6
107.08585	7.1
109.06528	7.4
109.10151	8.2
111.08073	1.9
119.08587	8.2
121.10125	6.1
123.08074	5.8
123.11716	15.5
133.10147	12.7
133.75714	1.5
135.11691	15.0
137.09586	5.0
139.03932	2.0
140.04210	3.7
141.04393	2.4
145.04903	2.1
149.13237	13.6
153.12717	1.7
175.14818	21.7
193.15894	19.3
211.16943	100.0
303.97733	1.7
358.12848	2.2
390.15112	1.5
398.42325	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	24.3
57.03437	2.5
61.02918	5.2
65.03948	3.4
69.03429	4.9
70.98125	6.3
71.05005	1.5
71.95266	1.4
73.02916	4.8
74.68409	1.3
81.03423	4.4
82.99796	1.3
83.04966	1.9
84.96049	3.7
85.02919	14.1
86.03259	1.7
87.04473	1.8
88.99174	2.9
89.03932	2.3
91.05484	21.8
92.05822	1.4
93.45306	1.3
93.86848	1.2
95.04979	1.7
97.01387	2.2
97.02898	4.5
98.96947	2.1
98.97596	41.8
99.04456	1.7
101.00893	13.1
101.45092	1.5
104.01266	1.2
109.02891	2.9
110.01309	3.1
110.97575	4.7
112.99201	1.6
113.00925	2.0
115.02449	3.1
115.03958	1.4
116.98613	11.4
119.01915	15.1
119.04954	33.8
120.05267	2.5
121.01722	1.3
124.95502	6.1
124.99139	3.6
127.02433	1.9
127.03937	4.3
128.02313	3.1
128.98656	6.4
129.03990	3.5
131.01892	5.5
131.05588	1.4
133.03479	5.9
134.99648	3.2
137.02925	2.4
140.98550	1.7
141.03963	2.9
142.96519	3.9
143.00185	8.1
143.01941	4.8
145.01788	2.0
145.03468	5.3
145.04988	2.7
146.99664	5.3
147.04422	100.0
148.04787	7.6
149.02287	6.6
155.01904	2.7
156.98128	4.2
157.01790	1.3
157.03491	6.0
158.99652	8.4
159.03709	1.8
159.05026	17.4
161.01239	3.7
161.02931	6.4
161.06685	1.6
163.03860	8.9
165.00784	2.8
165.05458	1.8
168.99849	2.9
169.03511	2.1
170.96004	4.4
170.99689	2.3
171.01411	4.2
171.03242	1.2
171.05083	3.4
172.97610	3.7
173.01224	3.1
173.02919	3.1
173.06584	5.1
174.99178	8.6
175.00548	1.4
175.04549	4.6
177.00737	4.2
177.06012	4.1
182.05136	1.8
183.05023	8.7
184.97554	1.5
185.01236	1.8
185.02922	2.4
185.06554	2.3
186.99155	3.9
187.04498	2.3
188.97105	10.7
189.00757	5.4
189.02496	3.5
189.04305	3.3
189.06049	3.0
190.98642	3.6
191.02338	2.7
191.03989	2.1
193.00235	6.3
199.00891	3.1
199.04558	3.0
201.00829	2.0
201.06105	14.7
202.98607	3.8
203.02223	1.7
203.04051	2.8
204.02913	2.4
205.00240	4.7
206.98145	3.6
207.01782	5.0
207.05196	2.3
209.03046	2.7
209.06541	1.4
211.04564	1.6
213.03433	7.1
213.06137	3.7
214.98592	3.4
217.00204	2.9
217.01997	3.6
217.05609	2.4
219.01811	5.5
220.06969	1.7
220.99742	4.3
221.03035	1.5
221.05009	2.2
222.03931	1.8
223.01234	1.8
227.04005	5.8
227.07607	2.6
229.02005	2.8
230.98203	2.3
232.99780	3.6
233.03230	2.5
235.01170	2.0
235.06708	5.2
237.02740	3.9
240.04030	2.2
244.99744	2.8
245.05101	5.6
248.99297	4.4
249.02898	2.6
251.04410	4.3
253.07840	7.1
255.03735	3.8
257.05072	1.9
259.06711	1.8
263.00742	4.6
263.06226	2.1
267.00269	4.5
267.03824	1.8
269.05386	9.4
270.04840	6.6
270.55313	1.8
271.06625	2.3
272.06693	1.9
277.07660	2.2
281.01968	6.5
281.04767	2.0
285.07446	3.6
287.06277	3.6
288.98727	2.9
291.00385	2.1
299.02600	2.9
301.11307	2.0
303.00381	1.7
311.06342	1.9
315.05472	4.5
316.98303	3.0
317.10757	1.8
329.07104	5.2
329.10736	3.2
330.99472	1.8
331.05075	4.0
335.11777	3.2
347.08017	4.5
347.11932	2.6
349.01016	2.0
373.09702	6.0
377.00253	2.4
391.11005	11.9
395.01483	1.8
409.08179	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	389.2171
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.05499	5.1
57.03429	6.5
67.05495	9.9
67.93765	2.9
69.03419	9.0
69.07066	8.4
69.83727	12.8
71.04990	11.0
79.05492	13.6
81.03419	5.2
81.07063	20.3
83.04984	4.7
83.08625	7.1
85.02908	32.5
85.06528	8.3
87.00824	6.3
91.05484	11.8
93.07047	18.3
95.04984	24.9
95.08586	13.1
97.02888	10.5
97.06523	37.1
97.10143	3.0
99.04456	25.8
99.08098	6.7
105.07008	25.9
107.08614	24.5
109.06526	65.2
109.10162	19.8
111.08080	6.1
115.07592	11.8
117.07018	5.4
119.08588	17.7
121.10144	24.9
123.08073	10.8
123.11748	7.7
125.09634	6.0
127.03899	11.3
131.08553	15.2
133.10141	72.4
135.08066	9.3
135.11758	3.4
137.05997	8.2
137.09705	3.6
139.03973	4.5
143.08574	4.3
145.04982	7.3
145.10147	8.5
147.11717	35.0
149.13290	7.9
151.11192	3.9
153.09140	18.4
161.09567	4.7
163.14838	6.4
165.09155	3.6
169.12329	5.1
171.10155	5.3
173.13249	47.2
175.07579	3.7
181.04994	3.8
183.13823	7.0
189.09116	3.3
191.14317	52.9
209.15363	100.0
215.10403	2.9
219.98428	3.1
227.16402	74.3
231.05095	3.6
232.05443	3.8
249.06128	3.8
250.06531	3.2
293.08890	4.1
293.11935	3.2
295.10968	3.1
339.09625	4.9
389.13379	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	389.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82375	0.5
55.01874	1.2
55.05505	1.9
57.03437	1.1
61.02910	1.4
67.05504	1.0
69.03436	3.8
69.07056	1.5
70.91524	1.4
71.04995	1.2
79.05483	1.6
81.03439	3.0
81.07049	3.5
83.04980	2.4
83.08611	1.8
85.02911	9.8
85.06541	1.8
86.09710	0.8
87.04469	1.5
91.05476	2.3
93.07032	2.6
95.04969	4.5
95.08609	1.8
97.02900	4.0
97.06547	3.6
99.04457	1.0
99.08101	0.7
105.07063	3.4
107.08605	3.9
108.51658	0.6
109.02885	1.6
109.06528	6.4
109.10155	2.9
111.08104	1.1
113.02373	11.1
113.09657	0.6
115.03923	2.3
115.07603	1.2
119.08576	1.9
121.06508	0.7
121.10138	3.5
123.08112	1.6
123.11719	1.1
125.09642	1.1
127.03927	3.6
127.07522	0.8
131.08565	1.8
133.06497	1.3
133.10135	7.0
135.08052	1.5
135.11703	0.8
142.13528	0.6
145.04958	4.0
145.10152	1.1
147.11670	3.9
149.09579	1.3
149.13261	1.2
151.11185	2.3
153.09135	2.9
155.72017	0.6
156.59598	0.7
161.05980	2.4
163.14854	0.9
165.12773	1.3
167.07085	2.7
167.14362	2.3
168.07387	1.5
169.07547	1.2
171.10207	1.6
173.13249	3.7
188.05652	0.7
191.10739	1.1
191.14348	5.3
193.08650	2.0
209.11644	1.0
209.15392	14.5
209.17384	0.8
227.12701	2.3
227.16408	8.9
259.08179	1.2
330.18359	0.5
367.88892	0.6
389.17902	100.0
390.18307	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	390.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30122	1.4
55.05515	1.8
57.03438	2.5
57.22635	1.5
61.02923	2.8
67.05499	3.3
69.03410	2.7
69.07066	6.8
70.66174	3.7
70.66512	1.7
71.04983	5.7
79.05489	1.9
81.07059	10.2
83.04960	1.7
83.08617	4.1
85.02885	9.5
91.05495	1.8
93.07040	8.2
95.04963	2.1
95.08590	8.9
97.02880	2.6
97.06529	7.1
99.04420	2.5
105.07026	5.4
106.07409	2.2
107.07957	1.6
107.08585	7.1
109.06528	7.4
109.10151	8.2
111.08073	1.9
119.08587	8.2
121.10125	6.1
123.08074	5.8
123.11716	15.5
133.10147	12.7
133.75714	1.5
135.11691	15.0
137.09586	5.0
139.03932	2.0
140.04210	3.7
141.04393	2.4
145.04903	2.1
149.13237	13.6
153.12717	1.7
175.14818	21.7
193.15894	19.3
211.16943	100.0
303.97733	1.7
358.12848	2.2
390.15112	1.5
398.42325	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2172
Annotation	Ascleposide E
Peak:m/z	Relative Intensity
55.05513	3.0
57.03431	3.6
59.05006	1.6
59.49096	1.5
61.02910	2.9
65.02302	1.5
66.10454	1.5
67.05496	4.9
69.03420	6.2
69.07058	3.3
70.05913	3.0
70.06299	2.7
71.04655	1.8
71.05001	20.8
73.69576	1.4
79.05486	3.4
79.16476	1.3
81.03420	2.5
81.07065	7.8
83.08627	2.5
85.02917	18.9
85.06554	7.8
87.04468	1.7
91.05441	1.4
93.07045	8.8
95.04964	8.2
95.08614	7.2
96.19831	1.6
97.02859	5.3
97.06529	5.3
99.04462	83.7
99.08082	3.2
104.52210	1.5
105.07041	9.8
107.08603	15.9
109.02869	2.6
109.06516	11.1
109.10149	6.7
111.08087	3.0
113.09640	4.3
115.07563	1.6
119.08556	3.5
121.10157	12.0
123.08077	11.2
123.11692	8.8
125.09654	4.6
127.03930	3.9
131.08546	2.2
133.10121	20.4
135.08080	2.7
135.11711	3.0
136.68123	1.3
137.05975	2.9
137.09589	1.6
139.11198	4.0
141.09062	1.5
141.12785	1.4
147.11703	11.6
149.09717	2.9
149.13277	6.7
151.03999	1.7
151.11201	10.0
153.09123	5.4
163.14804	1.5
165.09196	1.6
165.12749	3.8
167.10649	3.1
169.12331	6.8
171.10156	3.2
173.13307	8.0
178.66908	1.4
181.00139	1.3
183.13811	30.2
191.14301	14.5
209.15390	26.1
227.16434	100.0
239.07333	1.4
285.07623	4.1
300.09854	3.0
301.22052	1.7
353.23398	1.5
357.10635	1.7
389.14343	3.6
389.21021	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	389.2168
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
55.01865	2.4
55.05502	6.2
57.03445	2.8
57.07065	3.1
59.04994	2.8
67.05509	12.8
67.99180	2.2
68.99769	2.1
69.03422	4.8
69.07073	13.2
69.26769	9.7
69.27193	10.4
71.04990	5.4
77.39754	1.9
79.05488	9.0
80.36225	1.9
81.03418	3.0
81.07065	16.7
83.04984	7.0
83.08617	7.4
85.02898	8.5
85.06542	8.4
88.71008	2.2
91.05486	9.8
93.07036	23.8
95.04960	6.8
95.08611	22.2
97.02850	3.3
97.06521	5.1
99.08105	15.5
103.13260	2.6
105.07031	8.9
107.04959	9.8
107.08590	44.8
109.06519	15.4
109.10152	32.1
110.10439	2.7
111.08099	6.8
119.08584	6.4
121.06516	24.3
121.10142	34.9
123.08073	17.4
123.11710	2.5
125.05994	2.3
125.09614	7.2
127.11186	8.9
131.08542	13.8
133.10139	19.4
135.08043	17.1
135.11678	6.4
137.09637	5.7
137.13217	3.0
139.07541	3.3
139.11212	2.3
145.10139	4.0
147.11688	9.7
149.09621	69.2
149.13251	19.8
151.11179	19.6
153.09109	6.8
158.66927	2.2
163.11110	4.2
163.14818	27.4
164.04047	2.1
173.13268	22.8
191.14314	76.9
209.15359	100.0
227.16570	4.7
264.05621	2.7
270.03253	2.3
293.09351	3.4
336.02246	2.4
389.12781	2.6
409.30862	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	389.1784
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
51.98743	0.4
53.03930	0.7
56.07279	0.5
57.03437	0.9
58.70137	0.4
59.77486	0.4
60.13129	0.5
61.02938	0.8
67.05495	0.6
69.03425	4.2
70.06600	0.8
71.04668	0.7
71.05009	1.0
73.02915	2.1
81.03413	2.2
81.07053	1.0
83.04971	0.5
85.02901	7.7
85.06573	0.5
87.04456	1.3
93.07047	0.8
95.04977	1.6
97.02900	2.8
97.06534	1.0
97.15363	0.5
99.04444	1.0
101.64581	0.5
105.07030	0.8
107.08584	0.9
109.02890	1.1
109.06536	2.5
109.10168	0.6
113.02372	10.9
115.03927	1.8
116.01654	0.6
118.92295	0.5
121.10204	0.5
123.04372	0.6
123.08099	1.0
127.03907	3.3
131.08530	0.7
133.10139	2.4
137.09671	0.8
139.07561	4.4
140.04712	1.6
145.05016	3.5
147.08061	0.6
149.13196	0.7
155.07014	2.5
165.09131	3.7
169.73950	0.4
173.13313	1.2
181.04999	3.5
183.10199	2.1
188.55656	0.5
191.14355	1.9
209.08197	0.5
209.11812	0.6
209.15454	3.3
227.09254	5.4
227.12738	18.3
227.16446	2.2
259.08112	0.9
324.49295	0.6
389.17847	100.0
390.18304	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1805
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.03936	3.6
55.01861	2.4
55.05509	1.2
57.03437	4.8
58.75132	1.0
61.02937	5.5
67.01868	1.2
67.05492	2.4
69.03432	27.2
69.62027	4.0
69.62423	1.5
70.06587	2.6
71.05000	3.0
73.02924	4.4
79.05468	2.8
81.03421	16.1
81.07061	4.7
83.04980	3.3
84.04490	1.7
85.02909	52.6
86.09705	1.3
87.04466	6.8
91.03949	3.4
91.05463	2.5
93.07047	1.5
95.04949	2.6
95.08604	1.6
95.37817	0.9
97.02299	1.3
97.02897	20.9
97.06512	1.8
99.04439	3.7
99.08083	1.1
103.22362	0.9
105.07013	1.4
107.04926	1.0
107.08579	0.9
109.02891	8.5
109.06495	5.1
109.10094	1.0
111.04420	1.4
111.08076	2.2
113.02374	100.0
114.46663	1.4
115.03170	1.5
115.03931	16.8
116.01668	2.4
119.04943	1.2
121.06522	2.2
123.04398	1.8
123.08054	6.1
127.02984	1.5
127.03922	26.4
130.88354	1.0
131.04929	3.2
131.08556	2.5
133.04956	1.7
133.10068	1.5
137.05949	4.0
137.09618	3.0
139.07550	20.9
139.27386	1.0
142.05016	1.2
145.04971	27.7
145.10077	1.2
162.02200	2.7
163.06096	2.1
163.07550	6.2
163.11198	1.1
165.09129	24.3
167.07010	2.9
177.05490	1.0
180.01941	0.9
180.71812	1.0
183.10173	12.0
191.10753	1.2
191.14177	1.0
209.11742	4.9
209.15385	3.0
211.11604	1.3
227.12788	98.1
228.13135	1.2
241.07103	1.7
244.95883	1.0
259.08102	6.2
271.50507	0.9
277.09030	1.1
291.06409	1.7
293.39505	1.1
301.13068	1.4
389.13870	3.8
389.17795	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	389.2173
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
51.01974	0.8
55.01867	1.2
55.05503	4.2
55.37822	0.8
57.03425	1.0
57.07063	1.2
61.02914	0.7
64.52856	0.8
67.05497	2.6
69.03439	6.2
69.07079	3.8
69.80944	4.4
70.47926	0.8
71.04987	1.1
73.12698	0.8
79.05492	1.8
81.03471	0.8
81.07045	4.0
82.87587	0.8
83.04990	3.4
83.08610	1.5
84.94722	0.8
85.02922	5.1
91.05457	2.0
93.07056	4.7
95.04951	3.1
95.08621	4.6
97.02873	1.9
97.06536	2.5
97.10191	1.5
98.20712	0.7
99.04432	1.8
99.08073	2.6
105.07033	3.5
107.08609	7.1
109.06544	5.1
109.10179	4.5
111.08067	1.8
113.05942	0.9
115.07590	0.8
119.08570	2.8
121.06490	0.8
121.10143	7.7
121.52620	0.8
123.08073	1.7
123.11720	3.4
125.06005	1.2
125.09645	19.3
127.03986	1.1
131.04948	1.3
131.08583	1.6
133.10130	5.8
135.08044	3.2
135.11661	1.7
137.09674	1.5
139.07520	1.3
139.11197	0.9
147.11685	3.6
149.09634	25.8
149.13210	4.2
151.11198	6.3
153.09108	7.7
154.09979	1.1
158.10773	1.1
161.05966	1.1
163.14815	4.0
165.12746	1.5
167.10680	3.7
172.50948	0.8
173.13272	4.7
177.05457	1.9
178.05765	0.9
179.14301	1.1
181.05028	1.8
191.12672	1.4
191.14297	14.1
191.15894	1.4
197.12923	2.2
197.15308	2.1
209.15384	52.9
210.15814	0.9
227.16428	11.2
265.63693	0.8
275.11023	5.0
297.08624	1.0
389.14175	100.0
390.14288	2.0
402.07867	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1599
Annotation	Renealtin A
Peak:m/z	Relative Intensity
52.24918	1.0
53.03952	2.3
55.01877	4.2
55.05514	2.7
57.03447	2.0
65.03951	1.0
67.05505	3.6
68.99789	1.5
69.03424	2.3
69.07070	3.5
69.78771	3.0
69.79191	2.0
71.05002	3.3
73.02917	0.9
75.33559	0.9
79.05493	2.5
81.03415	2.2
81.07055	6.1
83.08663	1.2
85.02911	4.7
85.06522	1.4
91.05489	5.0
93.07028	3.2
95.04957	4.8
95.08632	5.0
97.02887	1.8
97.06557	6.8
105.03429	1.3
105.07045	3.3
107.04945	2.0
107.08625	1.8
109.02907	4.7
109.06555	1.3
109.10162	2.3
111.08109	1.2
115.05461	1.2
117.06959	1.0
119.04967	9.9
121.06559	1.2
121.10130	1.8
123.04440	100.0
123.11727	1.2
127.03938	1.9
127.28888	1.0
128.33324	0.9
131.04932	1.3
133.06482	1.3
133.10165	1.2
135.04433	2.7
135.11684	1.5
137.06021	2.9
137.09601	1.4
139.03918	31.5
140.04309	1.4
141.09137	1.3
141.62653	1.1
143.04906	2.3
145.10088	1.5
147.04425	36.7
149.06021	2.7
149.09663	1.7
151.03912	48.2
151.07503	1.5
155.74994	0.9
161.05994	11.7
163.03893	7.5
165.05487	21.5
166.14447	1.0
169.04991	2.6
173.06003	16.6
176.04794	2.3
176.76779	1.1
177.05478	16.1
179.07048	3.7
181.04993	4.0
181.08640	3.3
189.05499	3.9
191.07077	5.3
191.17929	2.5
192.14606	1.1
193.04904	1.7
193.08621	53.6
194.58847	0.9
199.95102	1.1
205.08543	1.8
207.06563	12.5
207.10162	2.4
209.15318	1.4
209.18968	1.1
219.06633	1.3
219.10202	19.3
221.11441	1.0
223.09676	1.7
227.20099	1.8
231.06502	1.2
231.10197	1.6
237.11212	11.1
249.07629	2.1
249.11121	1.8
285.07574	4.3
291.08728	6.0
303.08694	7.5
311.09131	4.1
327.12338	5.1
329.10211	15.1
345.13351	28.2
346.13773	1.4
353.13745	5.1
371.11148	1.3
371.14990	18.3
389.16199	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	389.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
55.06161	0.5
57.03447	0.6
65.03953	0.5
67.05493	2.2
69.03409	1.6
69.07054	1.8
69.53400	1.9
69.53816	1.6
70.06590	1.1
71.04976	2.0
73.02885	0.5
76.89389	0.5
79.05497	2.3
81.03419	0.9
81.07066	3.3
83.04972	1.8
85.02913	3.9
85.06098	0.5
85.06558	6.6
86.09686	1.8
87.04488	0.6
89.06013	2.2
90.06349	1.1
91.05504	2.8
93.07056	3.7
95.04947	1.7
95.08590	1.5
97.02895	1.1
97.06520	1.2
99.04443	1.5
99.08087	1.1
103.05454	1.7
105.03383	0.6
105.07029	2.5
107.04956	2.6
107.08591	3.5
107.81702	0.5
109.06499	2.2
109.10161	0.8
111.04425	1.1
111.08067	1.0
113.02406	0.6
117.07015	1.1
118.08272	0.5
119.08586	3.1
121.06483	1.7
121.10140	2.3
123.04427	1.2
123.08022	0.7
125.05986	0.9
125.09691	0.9
127.03972	1.1
129.07013	0.7
131.04939	3.1
131.08577	5.7
133.04874	0.5
133.08571	1.4
133.10153	2.7
134.08955	0.6
135.08031	0.6
135.11671	1.2
137.05943	2.6
137.09634	0.8
145.10147	2.3
147.11670	1.4
149.09636	4.5
149.13260	1.4
153.09094	1.3
158.99702	0.7
161.05997	0.9
161.13281	0.8
162.02109	0.5
163.07500	2.7
163.11177	1.5
165.09071	0.8
165.12740	0.7
167.07010	1.2
167.10678	2.7
173.09612	0.5
173.13246	0.9
174.06570	0.5
175.14766	0.6
191.06950	0.6
191.10680	4.7
191.14348	2.9
209.11765	5.7
209.15379	5.6
219.10187	1.8
227.12828	6.9
227.16386	3.6
245.09741	0.6
269.09341	0.5
275.11102	4.9
279.10275	0.6
293.39127	0.5
297.08682	0.9
299.07285	1.0
321.08658	0.6
339.09940	1.0
372.23071	1.4
389.14154	100.0
390.14365	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	389.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.2
55.05499	2.2
57.03432	2.2
67.05494	3.3
68.99803	1.3
69.03416	2.4
69.07064	2.3
69.91737	1.4
69.92136	2.0
70.85040	0.8
71.42227	0.7
72.87970	0.7
79.05505	1.9
81.03445	1.7
81.07053	3.1
83.04976	1.1
85.02901	3.2
91.05473	3.9
93.07047	2.0
95.04986	3.9
95.08598	3.3
97.02873	1.3
97.06536	3.5
97.07091	0.7
97.10155	1.1
98.20749	0.9
105.03391	1.6
105.07034	2.6
107.04946	2.0
107.08588	2.0
109.02895	4.4
109.06506	1.3
109.10157	1.6
111.04475	0.7
111.11795	0.7
112.99462	0.9
115.05473	1.8
119.04939	8.5
119.08606	1.2
121.06452	1.3
121.10151	1.2
123.04436	100.0
123.08064	1.2
127.03923	2.2
131.04974	1.8
131.08655	1.2
133.06531	1.0
135.04407	4.2
137.02376	1.4
137.05963	3.1
138.06416	0.9
139.03908	28.4
140.04260	1.4
141.07034	0.9
141.08975	0.8
143.04922	3.4
147.04424	33.0
149.06004	2.1
149.09622	1.3
151.03908	41.9
151.07487	1.5
157.06532	0.8
161.05974	11.3
163.03900	6.7
163.07555	1.5
165.05492	19.9
169.04951	2.7
169.06403	0.8
173.05997	17.4
175.07445	1.2
176.04660	3.4
177.05486	15.5
177.51624	1.0
179.07045	3.3
181.04945	3.2
181.08569	2.8
189.05469	3.5
191.07071	5.0
191.10666	1.3
193.04979	1.6
193.08614	48.6
205.08607	3.3
207.06537	11.0
207.10086	0.9
209.15343	1.5
209.19034	1.0
215.10550	1.1
219.10187	19.8
223.09663	2.0
227.07147	1.4
227.20021	1.2
231.10158	2.5
237.11179	10.6
249.11333	2.0
273.07669	0.9
283.13535	1.1
285.07571	5.3
291.08551	5.3
303.08691	9.8
311.09232	3.1
327.12393	5.1
329.10147	16.6
329.13867	1.1
345.13345	26.6
353.13873	5.2
361.96686	0.9
371.14960	17.3
389.15942	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.4
57.07065	2.3
61.02917	1.1
67.05508	4.5
69.03448	2.0
69.07050	1.7
69.66044	4.7
71.04994	4.0
79.05474	3.1
81.07052	4.0
83.08607	1.2
85.02879	3.6
85.06534	1.3
91.05469	3.0
93.07032	3.3
95.04953	3.2
95.08614	4.2
97.02834	0.9
97.06516	1.3
98.21402	1.5
105.07050	6.0
107.08599	6.7
109.06520	100.0
109.10159	21.9
111.08070	1.7
117.07025	1.3
119.08564	1.6
121.06480	1.2
121.10094	3.4
123.08073	8.4
131.08565	11.5
133.10147	7.7
135.08054	36.2
135.11765	0.9
139.03906	6.4
139.11145	1.6
140.04225	3.5
143.08490	0.8
145.10120	2.6
147.11687	1.4
149.09598	3.1
149.13228	1.7
153.09102	4.4
158.10869	1.7
166.82713	0.7
173.13278	14.3
191.14316	54.9
209.15372	67.5
210.15750	0.9
219.10287	1.0
220.10587	0.9
225.46849	0.8
239.64584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01870	1.9
57.03440	2.8
61.02925	3.5
64.85534	1.0
65.09338	1.1
69.03442	17.5
69.64732	3.4
69.65144	3.4
71.04990	1.4
73.02926	3.6
81.03435	10.1
81.07033	1.5
85.02912	42.9
86.09778	1.3
87.04479	8.9
91.03971	2.6
93.07063	1.6
95.04992	2.3
97.02901	18.8
97.06527	2.2
98.21442	2.3
99.04462	3.2
105.07021	2.2
109.02895	8.2
109.06512	6.4
113.02380	100.0
115.03938	19.1
121.10201	1.5
125.06003	1.2
127.03920	20.9
131.08566	1.4
133.04974	3.7
133.10120	2.9
141.05508	1.6
145.04973	27.3
147.11646	1.4
165.09103	1.7
173.13330	1.9
191.14348	3.0
192.68854	1.2
198.87341	1.1
209.11743	1.4
209.15410	5.3
227.12816	10.9
227.16438	2.7
259.08099	6.4
389.14047	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	389.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
57.03428	0.7
57.32119	0.4
61.25721	0.4
67.05496	1.5
69.03407	1.5
69.07057	0.7
70.06610	0.7
71.04980	1.8
79.05492	2.6
81.03400	0.8
81.07058	4.2
83.04964	0.6
85.02907	3.4
85.06549	7.6
86.09690	1.5
89.06020	1.7
90.06355	0.6
91.05473	2.3
93.07032	3.9
95.04959	1.8
95.08609	1.3
97.02892	1.1
97.06507	1.2
98.97600	1.1
99.04466	2.2
99.08100	1.1
103.05448	1.5
105.07020	3.0
107.04945	2.6
107.08597	3.6
109.06496	0.8
109.10151	1.1
111.04416	1.4
113.02401	0.6
117.07021	1.0
119.08581	2.7
121.06512	1.5
121.10116	2.3
123.08051	1.2
127.03921	0.7
129.07024	0.6
131.04913	2.6
131.08575	4.9
133.08585	1.2
133.10149	2.8
135.08081	1.0
135.11717	1.0
137.05972	2.8
139.80525	0.5
145.10098	2.5
149.09625	4.0
149.13264	0.7
151.11145	1.0
153.05402	0.7
153.09100	1.7
161.05992	0.6
161.13245	0.8
163.07533	2.9
163.11188	1.7
165.09074	1.1
165.12743	1.2
167.07001	1.1
167.10655	1.4
173.13191	1.2
191.10657	5.0
191.14308	2.9
209.11765	6.8
209.15379	6.1
219.10164	1.5
227.12825	7.6
227.16341	3.7
270.72821	0.5
275.11063	5.2
279.07452	0.6
297.08676	0.5
299.07391	1.1
339.09653	0.7
371.12207	0.8
372.23190	1.3
389.14139	100.0
390.14456	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2016
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.85263	3.1
55.05505	4.2
57.07063	3.2
67.05511	25.2
69.03421	5.2
69.23565	30.7
69.23906	4.8
81.07050	4.7
83.05010	3.7
85.02901	5.5
85.06536	13.7
91.05466	4.1
93.07040	10.1
95.08612	100.0
105.07024	11.2
107.08617	8.7
112.33189	3.3
113.05994	14.6
119.08588	23.1
121.10110	6.3
123.08071	35.6
135.11713	18.3
137.09665	5.2
147.11670	10.7
149.09610	38.4
150.15570	2.8
151.07510	5.2
161.13208	14.6
163.11192	10.9
165.12715	10.8
170.91132	3.2
179.14313	6.6
189.12766	23.4
207.13817	88.9
210.53270	3.2
225.14888	4.7
387.16016	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	388.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.0
55.01879	9.1
57.03428	5.4
58.72503	1.0
59.34210	1.0
61.02925	5.8
62.26478	1.0
68.99775	1.8
69.00832	1.1
69.03432	36.3
70.59218	2.7
70.59574	1.8
71.04986	3.4
73.02907	5.9
81.03423	23.0
81.03870	0.8
85.02908	100.0
87.00832	43.7
91.03946	1.9
92.25970	1.1
97.02895	29.6
98.20796	1.2
99.04451	14.2
105.01871	75.8
105.07040	11.1
108.04490	3.0
109.02883	28.0
109.12801	0.9
115.03899	1.1
117.01821	1.8
126.05502	1.3
127.03925	79.7
129.01845	3.6
135.20453	1.0
139.03886	2.5
140.04254	1.3
145.04970	39.4
147.02913	2.2
147.11667	1.2
159.02895	15.3
166.13091	1.2
168.35788	0.9
170.27544	1.0
189.03899	5.0
193.98633	1.0
194.09395	1.2
207.13690	1.2
208.14209	1.4
209.11757	1.1
213.04002	3.2
213.09167	1.6
231.05016	27.7
231.10124	2.1
248.07579	1.7
249.06073	11.8
266.08633	1.5
335.11169	1.2
388.15897	3.8
388.20456	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.9
55.01879	7.9
57.03438	5.9
61.02924	6.1
67.74833	0.8
68.99798	2.5
69.03438	33.5
69.91413	1.7
69.91808	1.8
71.04989	4.8
73.02929	5.8
81.03428	21.0
81.07046	1.5
85.02915	100.0
87.00839	41.3
87.04472	1.2
91.03964	3.0
95.08556	0.8
97.02903	28.5
99.04469	14.4
101.02399	0.8
105.01878	70.8
105.07043	9.9
108.04508	2.9
109.02893	27.4
115.03903	1.0
117.01871	2.3
119.08573	1.0
123.08073	1.2
124.08408	1.2
126.05531	1.5
126.23387	0.9
127.03931	71.3
129.01872	3.7
130.01482	0.8
137.06006	2.2
139.03932	3.6
140.04256	1.2
145.04980	37.6
147.02885	3.4
147.11716	1.3
148.12022	1.0
151.07611	1.4
159.02905	15.0
160.88681	0.8
165.12758	0.8
166.13091	1.1
171.02963	1.0
175.07492	1.0
177.03934	1.3
189.03989	4.0
194.09409	5.1
208.14162	3.3
213.03897	3.8
213.09161	2.0
220.10469	0.9
230.06616	1.1
231.05022	28.0
231.10205	1.0
248.07726	2.3
249.06081	11.5
266.08810	0.8
333.03058	0.7
335.11380	1.6
376.97034	0.8
388.15775	4.8
388.20392	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
53.98426	0.4
55.01872	0.9
55.05512	1.4
57.03440	0.9
57.07065	0.5
62.44395	0.5
65.03945	1.3
65.65020	0.4
66.95542	0.4
67.05502	1.8
68.99798	1.4
69.03426	2.1
69.07069	2.0
71.53717	1.1
78.84692	0.5
79.05499	2.0
81.03424	1.3
81.07059	2.0
83.04985	1.5
83.08616	0.7
85.02917	1.5
85.06557	0.6
91.05486	1.9
93.03426	1.4
93.07063	2.5
95.04977	1.9
95.08636	1.4
97.02916	1.3
97.06535	2.8
99.04469	0.6
103.05463	1.5
105.07025	1.5
107.04955	0.8
107.08621	1.6
108.04522	0.5
109.02902	0.8
109.06515	0.6
109.10175	0.7
111.00816	0.4
111.04447	4.0
115.05493	0.6
117.07057	0.6
119.08624	1.0
121.02898	0.5
121.06522	1.2
121.10143	2.2
123.04456	5.4
123.08081	0.8
125.09605	0.7
127.03909	0.8
129.07014	1.3
131.04956	1.9
131.08557	0.9
133.06519	0.6
133.10150	1.2
135.04498	0.9
135.08038	0.7
135.11761	0.5
137.05988	4.8
137.09686	0.6
139.03918	100.0
140.04237	0.8
141.07005	0.6
143.04878	0.5
143.08575	0.8
145.06458	0.7
145.10139	1.4
147.04430	1.0
147.08133	0.5
147.11687	0.7
149.05994	2.5
149.09637	0.5
150.85297	0.4
151.03955	1.1
151.07642	0.7
153.05466	1.0
153.73465	0.4
155.03403	1.5
155.08546	1.1
157.06537	0.9
157.10101	0.6
158.97440	0.9
160.05179	0.6
161.05986	2.9
161.09641	0.6
163.03918	5.2
163.07574	0.9
165.05499	0.8
167.07068	1.6
167.08488	0.7
168.05798	0.4
171.08047	0.6
172.11935	0.7
173.06059	1.3
173.09630	1.7
175.07579	4.2
177.05490	0.6
179.03409	2.2
181.04984	2.0
182.07256	0.6
185.09714	0.6
186.06816	0.7
187.07584	1.2
189.05429	0.6
189.09061	2.4
189.12752	0.6
191.07135	0.5
191.10695	2.5
191.14285	1.3
197.06047	0.8
197.09656	0.9
201.09152	8.3
203.07170	0.7
203.10681	0.8
205.08577	0.7
207.13817	4.6
209.15399	1.9
213.09209	0.9
214.06355	0.9
215.10715	2.7
217.08629	2.3
219.10185	21.3
225.09174	1.1
225.14793	0.7
225.18422	0.6
229.04939	0.6
231.10168	3.5
233.11623	0.6
234.99034	1.4
243.06592	0.7
243.07460	0.5
243.10182	6.4
261.11414	0.7
295.06082	0.7
309.11240	0.7
313.07117	0.7
324.16968	0.6
325.10883	1.2
327.08752	0.7
327.13571	1.4
337.10773	1.9
343.11838	0.8
351.12274	1.5
369.13599	2.9
387.11530	0.9
387.15112	5.5
387.20346	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	(3R)-5,7,2',3'-Tetrahydroxy-4'-methoxy-5'-prenylisoflavanone
Peak:m/z	Relative Intensity
53.03920	0.5
55.01865	1.7
55.05499	0.6
57.03430	0.8
65.03946	0.7
67.05502	1.8
68.99788	0.9
69.03425	2.1
69.07067	1.5
71.04991	0.7
71.37915	1.1
79.05518	1.3
81.03416	1.1
81.07064	1.8
83.04965	1.4
85.02902	2.9
91.05495	1.4
93.03397	0.6
93.07059	1.0
95.04979	1.2
95.08612	1.2
97.02896	1.8
97.06527	2.3
99.04477	0.7
102.52495	0.5
105.07050	1.4
107.04980	0.8
107.08611	2.0
107.65268	0.5
109.02986	0.5
109.06538	0.7
109.10172	0.8
111.00807	0.5
111.04435	4.2
115.05398	0.6
119.08607	1.1
121.02871	0.5
121.10155	1.6
123.04442	4.9
123.08078	3.0
127.03918	1.7
131.04938	1.2
131.08565	0.6
133.06474	0.5
135.04437	1.6
135.11702	0.9
137.06007	2.0
137.09468	0.6
139.03912	100.0
140.84982	0.6
141.56499	0.6
143.08504	0.7
145.04973	1.3
145.06535	0.8
145.10133	0.9
147.04442	0.7
149.05965	2.6
149.09547	0.5
151.03909	2.7
151.07564	3.4
153.05510	1.5
155.03415	1.2
155.08556	0.5
159.16406	0.5
160.05182	0.7
161.06000	3.8
163.03932	7.3
163.11198	1.6
165.05467	0.9
165.12779	0.8
167.07088	1.4
171.08041	0.6
173.06001	1.5
173.09525	1.0
175.07561	2.7
176.04704	1.7
177.05515	1.4
179.03394	1.9
181.05000	1.6
181.12285	1.6
186.06810	0.8
189.09131	2.6
189.12744	1.1
191.10681	2.7
193.08636	0.6
197.09630	0.7
201.09093	5.2
203.07162	0.5
203.10658	0.7
205.08672	0.9
207.13812	6.0
209.15363	0.7
213.09175	0.7
214.48903	0.6
215.10695	2.4
217.08699	1.6
219.10173	17.8
225.14903	1.3
231.10161	4.0
234.98997	1.7
243.10187	6.0
273.07556	0.6
295.06238	0.8
301.10202	0.5
313.07242	1.5
325.10699	1.4
351.12399	1.5
369.13498	2.5
387.10944	2.5
387.14813	3.0
387.20181	3.9
388.11411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1287
Annotation	Axitinib
Peak:m/z	Relative Intensity
52.94271	0.2
55.01864	0.2
57.03420	0.2
58.52609	0.2
65.03934	0.2
66.04728	0.2
69.03435	0.4
69.66546	1.2
78.04296	0.3
78.04697	1.4
79.05495	1.2
85.02903	0.8
91.05470	0.8
93.07024	0.5
95.01321	1.9
95.04970	1.2
97.02881	0.4
103.05450	0.6
105.07037	1.2
106.04204	1.4
107.04985	1.1
107.08597	0.2
119.04932	0.3
121.06501	0.9
121.10146	0.3
122.03648	0.4
123.04443	4.2
124.05207	1.6
127.03878	0.2
129.01849	0.2
133.06471	1.2
137.05984	0.5
141.01848	1.1
147.04382	0.3
149.05988	1.6
151.03926	0.9
152.04675	1.0
153.09106	0.3
161.05972	0.9
167.07045	100.0
168.07387	0.9
177.03989	0.2
179.07001	0.5
181.08582	2.0
189.12666	0.3
193.08606	4.3
207.13892	0.5
211.09666	4.3
223.05945	0.2
225.06837	0.2
225.11095	0.4
225.14900	0.6
285.49188	0.2
323.11288	0.3
387.16422	6.7
411.20892	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	387.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18416	1.1
55.01870	3.1
57.69516	1.0
59.56501	1.1
67.01846	1.7
67.05514	3.2
68.99789	2.5
69.03448	1.6
69.07069	4.2
71.39086	2.2
79.05502	5.7
91.05490	2.5
93.03421	1.4
95.04964	1.7
95.08627	1.5
97.02784	1.4
97.06538	45.5
100.12755	1.4
105.07034	1.8
109.02891	1.8
111.04446	4.2
115.05450	1.8
117.07007	4.7
123.04446	27.2
127.03927	11.2
128.06169	1.7
129.07007	4.5
131.04918	2.4
131.08588	2.3
135.04428	1.5
137.06004	2.1
139.03912	100.0
141.07018	1.3
143.08591	2.3
144.05627	1.3
145.06500	3.1
145.10118	2.9
147.04405	2.1
149.06013	4.9
149.15329	1.2
151.03893	2.8
153.01846	39.0
153.05482	2.8
153.07010	1.4
155.03445	2.7
155.08551	12.1
157.06503	3.9
158.07193	1.4
159.04538	1.2
159.08134	1.4
160.05235	2.4
161.05943	5.4
163.03946	8.6
163.07480	1.5
165.05502	11.5
165.06812	2.2
169.04935	2.4
171.08018	1.4
173.06023	6.3
173.09653	7.0
175.07547	12.5
177.05499	3.6
179.08466	1.4
181.04988	4.4
181.06511	1.6
183.08029	8.4
185.05977	1.7
186.06810	2.1
189.05504	1.6
189.09096	4.8
197.09619	3.4
199.07550	1.9
201.09122	78.7
210.06953	1.1
215.10767	7.7
215.65092	1.3
217.08578	10.8
219.10182	52.9
225.09135	7.5
231.10213	1.9
239.10779	1.2
243.10240	12.9
261.11218	10.3
351.12375	3.6
369.13400	2.6
387.14084	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1598
Annotation	Papaverrubine F
Peak:m/z	Relative Intensity
54.03476	0.6
55.04260	0.6
57.95222	0.5
68.99804	1.2
70.00829	0.5
70.06596	100.0
70.98194	1.0
81.99821	0.4
85.02933	0.6
89.38666	0.5
91.05503	0.8
93.07019	0.6
93.31133	0.5
98.68601	0.4
98.86581	0.4
103.05476	0.7
107.04982	0.8
119.04961	2.4
121.06518	1.8
123.04436	10.9
131.04984	0.5
135.04439	2.3
137.06029	0.5
147.04416	6.5
149.05981	4.7
159.04468	1.0
161.05968	0.4
165.05496	4.2
173.11736	0.4
175.07605	0.6
177.05476	59.3
183.05702	0.5
207.06519	1.0
234.11220	3.0
280.34818	0.5
292.58194	0.4
311.09100	0.6
327.63751	0.5
329.10248	9.7
386.15985	54.3
387.16180	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01866	2.8
56.91406	0.9
57.03429	3.7
59.04986	0.9
61.02937	10.1
67.05508	2.0
69.03089	1.3
69.03438	17.4
69.07057	0.9
69.24371	2.4
69.24789	5.4
71.04990	3.0
73.02917	2.8
76.07658	1.3
76.34022	0.9
77.03910	0.9
79.05503	25.8
81.03439	7.3
83.04989	0.9
85.02914	85.2
85.06554	33.1
87.04479	3.3
91.03953	5.4
91.05477	1.3
93.07011	1.4
95.04980	2.1
97.02900	20.5
97.06525	2.8
99.04465	4.3
105.02730	1.9
105.03407	30.0
109.02893	5.9
115.04000	0.9
121.79726	0.9
122.10388	0.8
123.04442	100.0
127.02997	0.9
127.03934	20.8
139.03897	5.3
145.04977	43.0
147.08028	1.0
161.05971	1.1
163.06035	13.1
170.61487	1.0
170.99617	0.8
175.07507	0.9
189.09164	6.4
211.09662	1.7
219.10205	2.8
224.17030	2.1
229.10805	2.8
242.93845	1.0
285.09628	1.3
291.23959	0.8
409.07513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81688	0.7
55.01868	0.8
55.05519	5.6
56.64240	0.8
57.03444	1.0
57.07076	9.9
58.06586	0.9
59.04985	1.6
61.02924	1.6
67.05515	0.9
69.03428	4.4
70.06593	1.6
70.08037	1.5
70.08431	1.3
73.02927	1.0
73.06567	1.4
76.07631	2.1
76.87590	0.7
79.05497	0.9
81.03410	1.8
83.08613	2.7
85.02431	1.1
85.02912	14.9
87.04478	1.1
89.06038	59.2
89.15483	0.8
89.97855	0.6
91.03970	0.9
91.05473	0.9
97.02897	3.8
99.04430	1.2
101.09662	8.8
103.05446	1.2
107.04954	0.9
107.07084	2.5
107.08602	0.9
109.02856	1.6
119.08608	1.2
121.02895	0.7
121.10145	0.9
121.58978	0.6
127.03900	2.1
133.07654	1.2
133.08615	17.3
137.05962	1.4
139.03934	2.1
145.04945	1.7
145.12254	9.7
147.11684	0.7
151.07692	0.9
151.09665	22.7
163.03825	1.2
176.14330	0.9
177.01782	0.7
179.03383	1.0
207.15930	100.0
208.16411	1.4
219.10191	1.5
220.05992	1.3
238.00955	0.8
260.18506	1.2
266.06647	1.8
279.42099	0.7
281.02399	0.7
284.12973	1.0
324.19601	1.6
368.27991	0.7
386.12082	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	385.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01871	2.7
55.05516	13.3
57.03438	1.7
57.07070	1.3
58.11083	1.2
65.03938	6.5
67.05505	42.2
69.03436	6.0
69.07068	17.2
69.79504	7.7
71.04990	4.5
73.06940	1.2
79.05490	19.6
81.03431	3.7
81.07058	90.7
83.04982	19.5
83.08631	8.0
85.02908	5.5
85.06554	9.1
91.05475	24.5
93.03425	6.0
93.07050	17.9
95.04967	39.7
95.08610	18.9
97.02914	2.1
97.06531	9.6
99.04460	1.4
99.08081	3.8
101.06036	1.4
105.07030	43.1
107.04977	1.6
107.08599	18.4
109.06525	5.7
109.10152	4.8
111.04446	22.8
111.08089	2.4
113.06046	1.5
119.08579	34.9
119.95269	1.2
121.02876	5.9
121.06515	1.8
121.10149	24.1
123.04446	1.6
123.08073	6.4
123.11707	36.1
125.09588	1.3
127.07546	4.5
129.06972	2.0
131.08604	3.1
133.10150	4.9
135.07962	1.2
137.09622	1.9
137.13254	3.5
139.03902	24.9
141.09081	1.4
145.10178	3.8
147.11690	100.0
149.09645	1.9
157.04939	1.6
157.10217	3.2
163.03918	2.2
165.05441	1.7
165.12755	59.8
170.53084	1.2
175.11169	4.8
183.13812	13.6
193.12244	10.9
211.13388	5.0
217.08633	9.2
223.13466	1.6
223.16945	21.5
229.14337	43.6
265.07458	1.2
281.65805	1.3
321.16959	3.4
339.18073	8.0
358.12061	1.2
367.17514	77.5
368.17865	2.2
385.13232	2.2
385.18759	17.3
385.23508	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	385.1285
Annotation	Gancaonin D
Peak:m/z	Relative Intensity
55.01871	2.1
55.05508	4.6
57.03441	1.1
57.16119	1.0
67.05520	8.1
68.99772	1.8
69.07073	2.7
70.06642	1.1
70.18298	3.2
70.18717	2.0
71.16010	1.0
79.05500	6.1
81.03433	2.0
81.07057	6.6
83.08628	3.9
85.14120	0.9
91.05471	4.2
93.07041	5.7
94.04960	1.1
95.04981	5.1
95.08597	4.3
97.06517	2.3
97.10149	2.4
99.08066	1.1
105.07037	4.3
107.04952	1.7
107.08603	4.9
109.06532	1.6
109.10175	3.1
111.00871	1.4
111.37157	1.1
115.04527	1.2
119.08589	2.2
121.10151	2.6
123.04359	1.1
125.09614	2.3
129.06961	1.9
131.08505	2.0
133.10164	2.9
135.11682	2.2
137.34447	1.2
139.03928	1.9
145.06488	2.3
145.10068	2.1
147.08095	1.4
147.11690	2.3
149.02367	2.7
149.03479	1.5
153.01826	1.5
157.10114	1.7
159.11646	1.3
163.03929	4.5
163.11176	1.5
189.11232	2.4
191.03435	11.1
193.04898	2.1
193.12276	3.2
199.03999	1.5
213.09126	1.6
215.14389	1.3
217.08554	1.3
232.83522	1.0
233.08110	19.4
241.08717	5.6
247.06166	1.3
269.08047	2.6
275.20123	3.4
283.09692	1.9
293.07928	1.8
293.21091	3.9
305.04453	1.8
313.37711	1.1
325.06912	2.3
335.09030	2.9
337.07056	12.4
351.08771	2.3
353.10248	13.3
367.11789	100.0
367.22540	3.5
368.12155	2.2
385.13086	2.2
385.23584	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	385.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	1.7
55.05508	1.9
57.07070	1.8
67.05492	2.7
71.53318	2.0
78.48707	1.4
79.05488	4.7
81.07052	3.2
91.05460	4.8
93.66389	1.9
95.04958	2.0
95.08599	3.0
103.05480	10.1
105.07031	15.5
107.04965	15.0
107.08566	1.9
109.06516	6.0
109.10151	1.8
115.05449	9.9
117.06992	2.1
117.38245	1.6
119.08578	3.2
121.06532	3.6
121.10125	5.5
122.03649	3.0
131.04955	13.0
131.08580	2.8
133.06465	10.3
133.10152	3.1
135.08109	3.3
137.05983	44.5
139.33951	1.5
141.06984	5.2
146.03642	13.4
147.04390	4.0
147.11754	2.0
148.12135	1.6
149.02287	3.9
149.06004	6.3
151.07542	11.2
161.05988	100.0
162.06728	3.0
163.07558	32.3
165.06984	3.3
166.07742	3.3
169.06471	5.1
173.09628	2.5
174.06822	2.3
175.07570	10.6
177.05472	3.5
177.06937	2.5
178.07846	1.8
179.08551	4.7
181.06450	2.5
189.06944	3.5
190.07790	8.7
191.08537	3.3
193.04951	3.5
194.07288	18.0
195.07961	3.1
201.09093	12.4
202.07756	2.0
203.08521	3.7
204.09395	3.4
205.06490	9.3
205.10107	19.4
206.07237	2.2
207.08076	5.4
209.09598	4.5
215.08548	6.9
218.07224	7.5
219.08043	3.9
221.06018	4.1
221.09627	5.0
222.06743	16.9
222.10284	2.9
223.07669	2.2
224.08250	2.1
231.08134	2.0
232.08746	2.6
233.06012	3.6
233.09627	34.5
234.06873	3.2
234.10274	3.4
235.07603	8.0
236.08281	3.2
237.09109	21.8
239.07042	2.7
247.07591	2.4
249.05582	3.0
249.09059	4.5
250.06264	5.2
250.09927	10.9
251.07141	4.2
251.10753	1.5
251.47427	1.5
252.07776	3.8
253.08591	4.4
254.09464	3.0
260.08316	2.3
261.09113	24.3
261.11551	2.8
262.09933	3.3
263.07010	3.5
264.07764	6.4
265.08606	54.9
265.12201	24.4
269.08191	3.9
277.08606	3.7
278.09308	15.3
279.10059	5.3
281.08292	3.7
282.08856	4.9
283.16913	4.5
284.10410	4.2
284.17337	8.3
293.11746	75.5
294.12299	5.6
295.09677	7.0
297.11249	80.7
297.14688	6.1
310.12091	4.8
311.12729	7.2
325.14365	71.6
325.18301	3.2
327.12103	2.1
340.23599	11.1
342.14703	3.1
343.15448	8.6
353.13910	19.4
367.22360	1.9
374.30649	1.8
385.08850	3.6
385.16501	41.5
385.23965	6.3
398.72226	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
57.03428	3.9
60.78674	1.6
61.02920	3.4
69.03432	15.8
70.06599	7.4
70.68007	4.7
71.04975	1.5
73.02910	3.4
81.03423	8.0
85.02911	58.2
87.04481	20.5
90.59001	1.4
91.03976	3.3
97.02897	15.2
98.20787	1.7
99.04453	3.5
109.02912	7.8
115.03939	100.0
127.03932	27.5
133.04987	28.6
139.03911	2.3
145.04962	26.0
163.05992	7.9
190.12334	1.3
199.09709	1.5
229.11778	2.5
236.51723	1.4
241.07173	1.8
243.37433	1.5
252.79797	1.6
259.08188	9.7
277.09213	26.3
331.14041	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	384.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.4
57.07067	1.0
59.04987	1.8
60.41214	0.9
61.02930	1.2
67.05489	2.1
69.03414	3.0
69.07072	5.8
69.68995	5.3
71.04991	14.4
73.72305	0.8
74.11412	0.8
75.24250	0.8
79.05490	5.0
79.91325	0.9
81.03432	1.5
81.07059	41.6
81.33767	0.9
83.04988	1.5
85.02902	10.5
91.05436	1.0
93.07071	1.3
95.08613	1.3
97.02887	2.8
97.06526	2.5
97.10168	1.2
98.20808	1.2
98.28591	1.0
99.08070	2.3
105.07040	1.7
107.08600	8.6
109.10161	10.1
111.11710	5.1
115.03902	1.3
121.10134	1.7
123.08054	1.0
123.11707	12.8
127.03907	2.0
133.10124	2.0
139.11198	7.6
145.04959	1.9
147.04454	1.3
147.11678	1.6
148.12016	1.3
151.11194	17.0
157.12242	8.3
163.06122	0.8
169.10846	1.6
169.12253	26.3
187.13303	100.0
188.13719	1.2
203.17816	1.1
204.18297	2.5
205.04950	1.9
205.14372	6.6
223.06004	3.2
238.05333	11.4
240.06929	1.2
349.18484	3.6
366.10947	1.1
384.11194	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	385.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.5
57.03429	3.7
61.02922	5.2
62.50473	2.8
67.05514	3.7
69.03426	24.1
70.06567	3.4
71.04987	2.9
71.52867	2.6
71.53259	4.1
73.02905	4.4
79.05477	3.7
81.07067	4.6
83.04987	5.3
85.02895	11.0
87.00844	3.2
91.05483	8.2
93.07030	7.0
95.04958	5.1
95.08605	5.8
97.02917	6.4
101.02406	3.2
103.05511	7.7
105.07005	9.3
107.04979	3.3
107.08632	4.0
115.03926	4.3
115.05398	4.4
117.07013	4.4
118.04149	3.9
119.03422	7.0
119.04928	5.4
119.08566	10.5
123.04446	3.4
123.08066	9.3
127.03912	3.2
129.07008	6.0
131.04938	20.0
131.08539	3.5
133.06473	5.1
133.10007	3.9
135.08066	4.9
135.11668	4.2
136.06245	4.7
136.59956	3.0
137.05974	4.4
139.03865	8.9
141.06985	6.9
143.03362	4.6
145.06450	5.3
146.03612	3.9
147.04420	18.9
147.08047	8.6
148.04669	4.9
149.06050	4.0
151.03987	3.7
152.22542	3.6
157.02885	3.9
157.06448	4.5
159.11635	6.3
161.05974	9.5
163.11177	14.4
167.07066	6.0
169.06483	8.3
170.12677	4.1
171.04445	3.5
175.07500	3.6
176.04596	3.1
177.05466	5.4
177.12729	5.2
185.05949	3.6
186.06754	8.7
187.03938	12.1
187.07465	5.4
189.05447	11.3
189.71149	3.3
191.07030	24.0
193.08562	5.1
197.05995	8.8
201.05487	4.5
201.09087	5.0
204.04129	14.8
205.08046	6.8
205.12209	20.9
214.06424	3.3
215.07021	12.2
217.04932	6.8
218.05656	3.3
219.06506	13.6
223.06116	3.9
223.09656	3.7
223.13271	35.7
229.08582	7.3
231.06493	7.0
238.05341	9.8
239.05669	13.2
243.06483	8.6
245.04428	11.3
245.08038	7.2
247.09694	12.7
257.08170	14.6
260.06818	24.9
263.05374	4.0
273.07629	6.4
275.09146	100.0
277.07104	18.9
277.65469	3.4
287.05447	12.7
319.08133	13.8
337.09052	6.8
367.11682	5.3
385.14603	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	384.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01877	2.5
57.03442	3.4
59.29269	1.7
61.02935	2.1
69.03434	16.4
70.06598	10.7
70.88518	3.1
71.04988	4.1
73.02924	3.2
73.06560	2.1
81.03424	9.0
81.07055	1.8
85.02913	56.0
85.06510	1.3
87.04485	23.3
91.03963	1.9
91.05473	2.1
97.02896	15.7
99.04482	4.5
109.02869	8.0
109.10181	2.9
115.03939	100.0
127.03932	32.1
127.11221	1.8
133.04010	2.9
133.04974	35.0
133.84427	1.4
139.03970	2.4
142.62810	1.3
145.04979	31.9
163.06032	9.1
169.12199	2.2
175.06055	1.9
177.05583	2.2
187.13312	2.5
193.61285	1.4
207.07617	3.9
208.08038	4.7
221.09172	2.7
229.11839	4.3
238.05348	12.5
259.08185	12.3
277.09229	32.0
324.12741	3.4
331.13766	3.1
340.04303	1.9
367.13266	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.2
55.05505	17.8
57.03444	4.8
57.07076	13.7
57.53466	4.6
59.04995	6.4
61.79987	4.9
66.50537	4.9
67.05510	52.7
69.03424	11.9
69.07063	11.3
71.04992	9.0
71.54022	5.9
78.73299	4.3
79.05494	36.9
81.03450	4.5
81.07061	47.4
83.04978	8.4
85.06493	6.2
91.05477	47.7
91.83450	6.2
93.07055	100.0
95.04974	27.3
95.08627	38.5
96.12782	5.2
97.02871	5.7
97.06510	14.0
105.07029	85.1
107.08598	47.1
109.06522	24.0
109.10166	41.0
111.08138	6.9
115.33367	5.3
117.07006	11.7
119.08590	60.4
121.06506	15.7
121.10152	45.9
123.08076	28.4
128.06206	7.2
129.07010	12.4
131.08566	35.8
131.40387	5.1
133.06479	11.1
133.10126	30.7
135.08064	24.1
135.11688	8.2
137.09627	10.0
142.07747	17.0
143.08569	23.6
143.23405	4.6
145.10121	40.2
147.08025	22.9
147.11719	13.4
149.09546	26.3
149.13264	5.8
151.07523	32.6
157.10127	37.1
159.08054	9.6
159.11707	13.0
160.08852	5.1
161.09615	11.5
161.13268	8.0
165.09137	47.1
169.10132	9.8
170.10933	11.5
171.11710	9.6
173.09630	14.7
173.11810	6.2
173.13266	14.5
175.11220	17.7
175.14839	9.2
177.09172	17.0
183.11687	9.4
185.13222	14.6
187.11171	5.9
189.12770	11.1
195.11729	6.1
197.13269	11.9
201.12743	13.1
203.14366	26.1
207.13889	10.7
209.13263	6.5
209.15105	5.7
219.13911	5.3
221.13400	5.5
221.15367	79.3
224.38203	6.3
227.14313	7.5
234.16106	11.7
251.11124	7.3
261.22235	5.0
269.12329	9.5
281.18842	6.5
286.19052	6.2
287.20065	7.1
303.19489	9.4
365.24643	14.9
383.11209	13.9
383.21094	36.9
383.26151	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.0
55.01859	5.3
55.02111	1.2
55.05488	1.3
57.03433	4.9
57.07066	3.5
61.02947	6.0
63.04519	1.2
66.95849	1.3
68.99780	3.0
69.03091	2.3
69.03436	30.0
69.27478	9.6
71.04976	3.8
73.02921	5.5
79.78222	1.4
81.03425	22.6
85.02911	100.0
87.00837	42.6
87.04479	1.9
91.03980	1.9
97.02298	2.0
97.02901	36.5
99.04468	10.9
105.01873	73.7
106.66912	1.2
107.04941	1.2
109.02890	31.4
117.01842	4.0
119.10718	5.8
127.03931	69.4
129.01826	3.2
139.03925	2.6
145.04973	33.7
145.06161	1.7
147.02950	1.8
153.05460	3.1
159.02904	12.9
189.03961	1.8
213.03983	4.3
231.05014	25.6
249.06145	9.9
275.41852	1.3
384.11475	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.4
55.05510	2.1
57.03425	4.3
61.02913	5.1
69.03084	1.9
69.03433	21.5
70.06573	5.6
70.12565	2.1
70.12922	5.2
71.04984	1.9
73.02908	3.8
73.06550	3.6
81.03413	12.0
81.07030	2.0
83.14377	1.2
85.02911	69.9
85.06535	1.5
87.00837	3.9
87.04474	20.0
91.03955	1.9
91.05489	1.8
97.02393	1.4
97.02905	18.4
99.04432	4.5
99.82421	1.2
101.06002	1.6
103.04003	1.7
105.01847	5.9
109.02888	8.2
109.10165	6.2
115.03938	100.0
119.04934	1.4
127.03927	41.6
127.11177	4.0
128.04260	1.2
133.04976	27.3
133.10074	1.4
135.04439	1.4
139.03877	5.9
141.03217	1.3
145.04970	30.1
157.08577	2.2
158.18913	1.3
159.02798	1.3
163.05984	5.3
167.72180	1.5
177.05461	1.7
181.08546	3.2
187.13312	2.8
205.14397	1.4
259.08133	12.4
277.09229	24.3
297.93893	1.5
331.13873	8.5
349.15201	2.6
384.17157	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	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03948	4.0
55.01887	2.8
55.05513	19.1
57.07072	8.7
58.61145	2.3
59.04996	8.2
59.71310	2.5
67.05510	37.9
69.03422	14.8
69.07071	10.7
69.29173	22.4
71.04996	7.6
79.05501	26.6
81.03421	4.6
81.07059	37.2
83.04987	7.2
83.08622	5.5
85.06549	4.0
91.05489	51.7
93.07047	100.0
93.07640	4.9
95.04971	30.0
95.08613	43.6
97.06537	14.9
103.05490	3.8
105.07039	89.0
105.76694	2.8
107.08606	43.9
107.61971	2.3
109.06520	25.4
109.10155	34.7
111.08105	8.3
115.05436	3.4
115.79578	2.4
116.06261	4.9
117.07007	14.1
119.07723	2.9
119.08582	54.1
119.40634	2.5
121.06517	14.6
121.10156	49.2
121.11016	2.7
123.08069	30.6
128.06252	12.2
129.07024	13.1
130.07834	6.0
131.08566	37.0
133.06512	7.8
133.10150	31.9
135.08066	30.0
135.11736	9.5
137.09615	11.2
141.06973	4.1
142.07773	16.2
143.08569	25.3
144.09396	4.4
145.06549	2.4
145.10123	35.9
147.08069	26.9
147.11699	17.5
148.08821	6.8
149.09639	29.9
151.07547	42.3
153.05319	2.8
155.08627	8.4
156.09384	12.2
157.10141	42.1
157.11336	3.7
159.08124	10.6
159.11726	17.4
160.08820	3.2
161.09624	19.6
161.13313	8.9
163.11217	8.5
165.09114	35.2
169.10161	5.7
170.10982	7.1
171.11742	9.3
173.09680	10.6
173.11977	3.0
173.13313	11.4
175.11160	19.8
175.14803	6.6
177.09109	12.6
179.08569	4.9
181.10181	3.1
183.11755	10.2
185.09630	4.6
185.13277	17.2
187.11217	7.1
187.14871	7.2
189.12715	12.6
193.10243	3.6
194.10928	3.2
195.11743	3.9
197.13348	6.5
199.11252	3.2
201.12816	10.9
203.14314	29.6
207.11958	4.7
207.13893	14.0
209.13344	9.2
209.15363	5.0
211.14851	4.7
213.12814	5.0
215.14381	8.0
216.15015	3.0
219.13849	7.4
221.15367	96.7
223.14957	5.8
225.12833	7.2
227.14323	7.1
229.12190	4.1
231.13800	3.7
233.13290	3.0
233.15433	6.2
234.16194	23.1
241.15971	3.2
243.13899	4.1
253.15921	3.2
265.16153	2.8
281.19077	6.5
285.18610	3.2
286.19290	4.3
287.20190	7.3
291.17609	3.7
299.19955	6.0
303.19678	10.8
307.20627	3.0
311.35718	2.6
318.52786	2.7
347.23776	5.9
365.24780	14.5
383.11441	8.7
383.25845	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01862	1.5
55.05517	5.4
55.05724	0.9
57.03427	1.8
57.07062	3.9
61.02916	1.2
67.05516	8.0
69.03424	7.2
69.07076	5.4
69.58360	6.1
71.04980	3.9
75.06193	0.9
79.05499	8.8
80.05016	1.1
81.03419	1.7
81.07053	13.5
83.04972	7.2
83.08603	1.8
85.02917	5.6
85.06528	1.6
87.00818	1.2
87.04457	4.1
91.05486	11.5
93.07047	13.3
95.04946	3.9
95.08060	1.7
95.08614	22.1
97.02910	6.7
97.06522	2.9
98.06030	1.1
99.04465	1.8
99.08045	1.0
102.27246	0.9
105.07037	49.0
107.04924	3.0
107.08592	14.8
109.02839	1.6
109.06519	2.3
109.10165	11.3
111.08063	1.2
114.05501	1.8
115.03976	1.3
115.05424	1.3
117.07002	4.3
118.06528	3.8
119.04940	1.7
119.08577	27.9
121.06506	5.5
121.10162	7.7
123.04395	1.4
123.08057	2.0
123.11699	3.3
124.11131	1.0
125.05979	2.9
127.03872	2.2
128.06194	1.1
129.05460	3.0
129.06984	2.4
130.06526	3.3
130.07739	1.4
131.08556	6.3
133.04958	1.5
133.06496	3.2
133.10139	26.2
135.04382	1.0
135.08070	2.8
135.11691	4.0
137.05984	2.5
141.08553	0.9
143.08568	2.0
144.08095	2.8
144.09290	0.9
145.06465	1.3
145.10130	14.0
146.06021	12.7
147.07999	1.8
147.11691	80.5
151.07526	2.0
152.14362	11.0
157.05020	6.9
157.07620	1.3
158.07289	1.3
159.08028	1.2
159.11723	5.7
160.12567	1.0
161.09532	1.2
161.13257	7.9
163.03891	1.0
163.11189	12.6
171.11609	1.5
173.09637	6.4
175.06018	6.2
175.07471	1.9
175.14827	2.6
180.81860	1.0
181.12259	1.4
187.11142	3.6
188.07092	8.2
189.12674	1.2
191.09189	1.0
191.10635	5.6
195.02896	1.4
196.17015	5.9
197.09494	1.5
201.36658	1.0
203.08238	1.1
203.17957	100.0
204.18446	1.1
205.12239	1.9
209.11642	1.4
210.14787	1.4
215.10674	4.0
218.84006	1.0
221.08142	2.1
221.19012	1.9
233.11693	3.6
237.10184	1.2
247.09700	2.2
254.17587	2.1
261.07449	1.2
261.14853	1.9
302.13559	1.1
317.10114	1.7
319.15240	1.2
329.13922	1.3
339.20645	3.4
347.14987	2.1
347.22430	1.0
355.11887	1.2
360.52353	1.1
365.11899	1.5
365.15948	1.6
365.23132	1.6
376.98135	1.0
383.11066	3.1
383.23465	18.9
394.20956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27011	0.8
53.03934	0.9
55.05513	4.4
57.07065	0.9
59.71202	0.9
61.02920	1.3
63.50100	0.9
67.05513	8.5
69.03418	3.5
69.07072	5.0
70.53983	3.0
78.35023	0.9
79.05502	4.9
81.03419	1.9
81.07063	13.6
83.08617	1.4
85.02913	7.4
91.05485	11.8
93.07053	11.7
95.04987	1.6
95.08612	22.7
97.02896	2.6
97.10175	1.7
99.04471	1.1
103.05508	0.9
105.07037	33.9
107.08597	12.6
109.10162	18.1
117.07004	1.1
119.08590	30.5
121.10156	9.6
123.11686	5.4
127.03941	2.7
131.08575	2.6
133.10132	20.3
135.11711	2.7
143.08456	1.4
145.04961	1.9
145.10141	3.1
147.11699	69.6
158.85739	1.0
159.11720	1.5
161.13257	10.7
165.09097	2.6
173.09581	0.9
175.14883	2.6
189.16441	1.3
201.16437	1.6
203.08211	1.4
203.17973	100.0
204.18311	1.8
221.18993	2.3
283.86670	1.0
329.21292	1.2
347.22153	1.2
365.23264	1.9
383.11224	2.9
383.23541	3.5
395.08380	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03926	7.6
55.05513	19.6
57.03436	4.7
57.07071	15.1
59.04983	6.8
67.05510	51.5
69.03426	15.2
69.07057	17.8
71.04991	8.2
79.05495	39.1
81.07065	65.1
83.04971	9.4
83.08633	9.9
85.06552	8.7
91.05492	49.9
93.06486	6.5
93.07050	100.0
95.04969	29.7
95.08606	41.2
97.06564	19.6
103.05446	5.0
105.07033	88.1
107.08608	46.4
109.06525	32.0
109.10166	45.1
111.08079	9.6
116.06280	4.6
117.07003	10.6
119.08590	59.7
120.09293	5.7
121.06512	20.7
121.10159	53.8
123.08091	31.5
123.11692	5.6
123.35583	3.5
125.09632	5.5
128.06212	9.9
129.06996	20.9
130.07771	10.0
131.08580	37.6
133.06493	5.9
133.10152	32.2
135.08093	26.0
135.11687	8.8
137.09598	13.9
141.06874	4.4
142.07773	23.0
143.08557	28.1
144.09320	7.8
145.10147	50.8
147.08090	26.8
147.11673	17.9
149.09644	24.4
151.07542	37.3
155.08571	14.3
155.10678	6.5
155.19846	4.8
156.09311	9.9
157.10135	46.7
159.08008	8.1
159.11674	20.0
161.09633	28.7
163.11162	7.6
165.09109	37.4
169.10133	9.4
170.10858	6.3
171.11685	13.4
173.09628	10.3
173.11801	8.6
173.13203	9.9
175.11191	25.2
175.14792	8.4
177.09113	11.6
182.10898	7.8
183.11755	8.5
185.13304	20.3
187.11195	5.7
187.14742	8.1
189.12718	8.9
195.11728	9.7
197.13316	7.7
203.14336	24.7
203.15973	4.3
206.95236	4.1
207.13838	9.8
209.13280	11.1
209.15268	8.6
211.14854	8.1
213.12764	7.7
215.14357	13.8
219.13808	9.2
221.13553	4.8
221.15396	82.2
223.11377	4.9
227.14333	14.8
229.73897	6.2
231.13899	8.6
233.15457	5.7
234.16072	12.9
237.14801	6.3
286.19080	7.5
287.19983	9.4
299.20050	4.9
303.19736	7.6
358.92065	4.6
365.24826	19.4
383.11026	12.6
383.25928	97.7
404.58228	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31794	1.3
53.03935	2.0
53.36565	0.9
53.88475	1.0
55.01866	1.6
55.05509	3.8
57.03434	2.8
57.07076	1.1
57.45602	1.2
60.94469	1.0
61.02936	2.5
66.04778	1.0
67.05506	19.2
69.03416	4.8
69.07068	7.7
71.04990	2.8
71.54597	1.9
72.08360	1.1
73.02907	3.0
79.05489	7.7
81.03431	1.9
81.07059	44.0
83.04997	1.9
83.08614	4.4
85.02911	22.7
85.06538	2.3
91.05490	7.5
93.07040	9.7
93.11985	1.1
95.04977	2.6
95.08616	16.3
97.02891	5.5
97.06544	2.8
97.10176	2.0
98.31327	1.0
98.52527	1.1
99.04459	2.8
105.07034	34.8
107.04988	1.3
107.08607	7.4
109.02868	2.2
109.06557	1.5
109.10151	16.8
111.04430	2.2
115.03925	1.6
117.05501	1.3
117.07020	3.2
119.08576	26.3
121.06546	1.2
121.10164	7.6
123.11722	7.5
127.03905	5.5
127.11217	1.1
128.06229	1.4
129.07024	1.4
131.08592	7.6
133.04974	2.0
133.10139	14.5
135.11729	5.6
137.09604	1.2
137.56288	1.0
143.08516	1.9
145.04980	5.3
145.10118	12.9
147.11696	76.0
149.09628	1.3
149.13297	1.8
155.08540	2.3
155.10707	1.2
157.07590	1.6
157.10123	6.2
159.11687	13.1
160.12474	2.5
161.13266	13.2
163.06003	2.8
169.10124	3.1
171.11707	2.9
173.09644	1.2
173.11844	2.3
173.13290	5.3
175.14795	2.5
183.11688	1.7
185.13226	2.5
187.14862	3.6
195.11758	1.8
197.13257	1.8
199.14845	2.1
201.16385	10.1
203.17963	100.0
204.18330	1.9
205.19505	1.7
215.18002	6.2
225.16454	2.8
227.17879	1.9
233.18919	3.8
238.18942	1.3
241.32129	1.1
269.19037	3.1
287.19962	1.4
295.89606	1.2
311.20090	2.2
329.21100	4.9
347.22229	3.5
365.23126	5.1
383.11398	2.3
383.24438	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30892	1.0
53.03940	1.9
55.01863	1.9
55.05504	4.7
57.03438	1.9
57.07072	2.0
58.62935	1.0
61.02920	3.8
67.05508	9.6
69.03433	11.1
69.07068	5.5
69.83552	4.5
71.01360	1.2
71.04988	2.4
73.02931	1.2
79.05507	5.5
81.03423	8.0
81.07063	13.6
83.04985	4.2
85.02907	21.4
87.04471	3.0
91.03963	1.3
91.05481	9.1
93.07035	13.4
95.04971	4.1
95.08609	22.4
97.02901	10.3
97.06525	5.0
98.21469	1.1
99.04442	2.8
105.07034	27.5
107.04964	2.6
107.08586	15.0
109.02876	2.9
109.06515	3.7
109.10164	24.8
109.10922	1.2
111.04409	1.7
111.08076	4.4
117.07039	1.4
119.08581	20.8
121.06487	2.2
121.10148	12.7
123.04420	4.2
123.08087	2.5
123.11710	10.8
126.92490	1.1
127.03918	4.6
129.07031	1.5
131.08566	3.8
133.10129	21.8
135.08003	1.1
135.11679	5.3
137.06024	1.1
137.09637	3.3
137.13196	1.2
143.08551	2.8
145.04970	3.7
145.10139	9.4
147.08073	2.5
147.11690	27.9
149.09583	1.1
149.13274	9.8
157.04955	2.3
157.07654	1.4
157.10130	2.2
159.11668	5.9
161.09630	1.2
161.13235	13.9
163.03926	1.1
163.11229	6.3
163.14754	1.5
165.12738	1.7
169.10083	1.7
171.11673	2.3
173.13251	2.0
175.06006	2.5
175.11124	1.7
175.14809	3.6
176.43088	1.1
177.16342	1.2
185.13278	1.1
187.11163	3.3
189.16371	1.4
191.10648	2.6
197.13287	1.1
201.12924	1.1
201.16397	2.8
203.17957	90.8
204.18257	1.7
205.04887	2.4
206.05740	10.7
206.72121	1.0
215.10722	2.3
215.17917	1.4
219.17442	2.5
221.08089	100.0
221.15384	3.1
221.18996	32.5
221.21089	2.2
222.08347	1.4
233.11867	1.4
245.18858	1.3
247.13254	1.2
249.18576	1.4
281.18924	1.3
299.19919	5.2
305.20926	1.5
311.20160	2.0
317.21127	6.2
329.21017	3.1
347.22061	4.9
365.23306	4.9
383.11292	2.0
383.24219	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35381	0.7
53.03939	1.2
55.01860	1.0
55.05505	2.1
56.68174	0.8
56.96549	1.1
57.02326	0.8
57.03435	1.5
59.05005	0.7
61.02914	1.5
65.03938	0.9
67.05496	5.9
69.03415	2.6
69.07065	3.9
69.46494	6.0
70.06599	1.6
71.04980	2.3
73.02909	1.4
79.05485	4.5
80.05031	3.8
80.43913	0.8
81.03409	2.7
81.07068	7.6
83.05000	1.5
83.08607	1.9
85.02928	5.1
88.03994	1.3
88.87192	0.7
91.03945	1.1
91.05485	4.2
93.07047	7.2
95.04964	2.5
95.08617	7.0
97.02889	2.5
97.06508	2.2
97.10162	0.9
98.06081	6.2
99.04470	1.2
105.07033	6.5
107.04905	0.9
107.08591	6.1
108.08115	1.6
109.06521	1.3
109.10143	4.7
110.09678	2.8
111.04466	0.7
111.08067	1.4
114.05526	2.6
114.85173	0.8
115.05437	2.1
116.07086	0.9
117.07001	2.1
118.06548	22.0
119.08579	6.7
121.10187	3.9
123.04400	1.2
123.10451	0.8
123.11687	2.6
123.62260	0.8
124.11246	1.2
125.05997	0.8
129.07033	1.2
130.06532	11.1
131.08556	2.9
133.10129	3.0
135.11696	3.3
138.05511	2.2
139.03915	3.5
141.52800	0.8
142.06532	1.9
142.07657	1.1
143.07315	2.1
143.08540	2.3
144.08087	16.3
145.10130	3.4
146.06015	71.3
147.06381	0.9
147.11708	5.0
149.09604	1.0
149.13301	2.2
150.12756	4.1
152.14346	65.4
157.10153	1.3
159.11746	1.8
161.05994	0.8
161.13263	1.8
163.03845	1.5
163.11273	1.2
164.14407	1.4
170.06042	4.8
171.11642	1.3
173.13322	1.2
175.04015	1.7
178.15936	2.2
184.11215	2.9
187.03877	0.9
188.07074	55.3
189.09132	1.0
196.16969	34.0
199.14844	1.1
201.16464	1.0
203.08163	1.6
203.17963	6.7
208.13388	3.0
210.14944	8.1
221.11456	3.1
221.19038	1.9
229.08731	1.0
241.07486	1.6
245.08154	1.7
254.17531	8.8
259.08691	2.0
260.08875	1.0
267.06699	3.9
267.08994	1.4
267.11447	1.6
268.09363	1.3
285.10162	2.3
286.10284	1.1
329.21234	0.8
335.64709	1.7
339.20703	26.5
347.22223	1.1
365.10361	1.0
365.23508	1.0
383.11285	12.4
383.16843	10.7
383.23318	100.0
384.23651	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49607	0.6
53.03927	1.1
55.05500	2.8
55.51971	0.6
57.03431	0.6
57.07076	0.7
58.40973	0.6
59.13099	0.6
67.05501	4.0
69.07055	2.7
70.19335	2.8
79.05494	1.7
81.07056	6.7
85.02899	2.3
90.13809	0.6
91.05473	5.4
92.70984	0.6
93.07040	4.3
95.07993	0.8
95.08607	15.2
97.02921	0.9
105.07033	31.3
107.08585	6.2
109.10175	9.1
117.07041	0.7
119.08585	19.2
121.10147	4.6
123.08033	0.7
123.11694	1.8
127.67126	0.7
131.08569	2.4
133.10133	22.9
144.08087	0.8
145.10071	3.1
146.06018	1.9
146.10838	0.8
147.11691	75.8
147.65111	0.6
149.13345	0.9
152.14323	1.9
159.11719	0.9
160.12488	1.3
161.13283	6.9
175.14803	2.4
188.07156	0.9
196.16847	0.9
201.16415	0.6
203.17960	100.0
204.18282	0.8
339.20728	0.9
351.08652	0.6
383.11182	1.0
383.23294	2.5
383.27716	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	383.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80380	1.4
57.03422	3.1
61.02922	3.2
66.34782	1.5
66.45837	1.2
67.62284	1.2
67.85773	1.4
69.03420	8.6
70.32294	5.2
73.02918	2.3
74.02448	2.2
81.03396	6.0
82.02968	1.9
82.25812	1.6
85.02908	32.1
91.64561	1.3
92.10633	1.5
94.06557	1.6
96.85384	1.3
97.02901	9.6
98.21407	1.8
98.97589	1.3
99.04456	3.3
103.03938	2.2
109.02907	3.0
117.05712	1.4
118.06522	5.3
118.37267	1.3
127.03909	5.2
130.06522	64.2
132.04460	16.8
132.08099	6.9
134.06026	1.8
134.21841	1.7
142.06499	2.6
143.07333	2.7
144.06949	2.5
144.08070	25.4
145.05038	2.1
145.07616	23.8
146.06013	11.1
148.07581	4.4
154.06480	5.4
156.08073	4.5
157.07619	66.5
158.06024	56.0
158.08051	2.5
159.09174	8.3
160.07574	2.7
167.07317	1.5
168.08093	3.2
169.07576	10.5
169.08786	1.5
170.06049	3.3
171.06830	2.0
171.09154	9.3
172.07582	11.5
173.10788	1.5
174.05476	9.2
174.80522	1.5
175.08675	57.3
176.07126	2.3
181.07593	3.9
182.08336	3.7
183.09163	15.6
184.07503	3.8
185.07121	13.9
186.05493	4.3
186.07959	3.0
187.08635	4.8
188.07124	1.6
190.08508	2.1
199.08650	12.8
200.07083	17.5
202.07088	1.8
203.08156	100.0
204.06540	4.5
204.08423	2.5
207.09151	2.9
209.07127	8.6
210.08948	1.6
213.06616	1.4
215.08115	3.0
216.08932	3.4
217.09734	32.8
221.09209	61.1
227.08186	13.0
228.06548	4.2
231.07600	7.0
238.08672	1.4
243.07674	2.2
245.06917	2.1
245.09244	26.6
257.09253	2.5
263.10275	54.9
269.09122	1.6
299.10236	5.7
309.75754	1.3
311.10229	2.8
319.12909	1.6
329.11261	6.5
347.12402	11.3
348.10727	11.0
365.09088	2.6
365.13446	36.7
366.13644	1.7
383.14471	36.0
398.77475	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33007	1.0
55.01864	1.1
55.05505	3.8
56.96565	1.5
57.03438	2.1
59.04992	1.0
59.43298	1.0
59.92668	0.9
61.02911	2.7
61.88301	0.9
65.17624	0.9
67.05502	3.4
68.05026	1.2
69.03427	3.7
69.07065	5.0
70.06589	1.2
71.04996	2.5
73.02912	1.6
74.38270	1.0
79.05494	4.5
80.05020	4.2
81.03424	2.7
81.07050	8.8
82.06557	1.1
83.04990	1.8
83.08604	1.5
85.02904	5.0
91.03942	1.1
91.05477	4.1
93.07050	8.3
95.04978	2.4
95.08616	7.2
97.02876	2.3
97.06527	2.0
97.10161	1.5
98.03288	0.9
98.06057	7.2
99.04427	1.1
101.02383	0.9
103.05486	1.5
105.07037	7.4
107.05002	1.1
107.08612	7.3
108.08136	1.7
109.02859	1.1
109.06518	1.1
109.10159	6.0
110.09695	2.1
111.04407	1.2
111.08115	1.2
114.05517	3.1
115.05453	1.3
116.07053	1.1
117.07002	2.3
118.06548	23.9
119.08609	7.5
119.42245	0.9
121.10162	4.9
122.09608	1.6
123.04460	2.0
123.11720	3.3
127.03977	1.2
129.07034	1.4
130.06509	10.6
131.08565	3.9
133.10127	4.1
134.87802	1.0
135.11699	3.3
139.03918	3.2
142.06516	1.8
143.07326	2.1
143.08542	1.8
144.08113	15.0
145.10121	3.3
146.06017	67.1
147.10657	1.1
147.11655	5.3
149.13322	1.9
150.12767	3.0
152.14342	59.7
153.01886	1.3
157.10104	1.6
159.11740	3.4
161.13283	2.5
163.03839	2.2
163.11192	2.4
164.14467	1.0
165.07904	1.5
170.06047	4.5
173.09592	1.2
175.03944	1.5
175.11302	1.6
175.14851	1.3
178.15941	2.2
187.03838	1.5
188.07074	53.8
189.09088	1.3
196.16994	31.2
197.06143	1.2
201.16296	1.4
203.08333	2.3
203.14351	1.7
203.18004	7.5
205.19609	1.1
208.13310	3.1
210.14914	7.7
211.07774	1.1
217.15895	1.0
221.19022	2.4
229.08804	1.2
230.08136	1.2
239.07001	1.2
241.07535	2.5
245.07968	1.5
249.07906	1.3
254.17546	9.0
259.08603	5.0
259.60278	1.1
267.06540	5.5
267.09061	3.0
267.11487	1.9
268.09387	2.6
285.10132	3.1
325.10864	1.4
327.12329	1.2
335.64514	3.8
339.20709	26.1
347.22183	1.8
351.65787	1.8
369.69583	1.2
383.11594	20.7
383.16876	4.5
383.23331	100.0
384.23798	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
55.01867	1.3
57.03429	1.7
60.40916	0.5
61.02911	0.7
61.49657	0.5
61.85035	0.6
67.01884	0.6
67.05504	1.3
69.03416	1.6
70.87954	1.4
73.02909	0.8
77.58172	0.5
79.05483	1.3
81.03421	1.4
81.07056	2.1
83.04965	0.9
85.02906	2.9
85.06562	0.7
91.05483	1.6
93.07047	2.2
95.04970	1.4
95.08572	1.4
97.02892	1.4
97.06515	1.0
97.14378	0.6
97.73454	0.5
99.04454	0.7
103.03928	1.2
103.54568	0.5
105.07021	2.5
105.67836	0.5
107.04964	1.1
107.08606	2.1
109.02885	1.0
109.06505	1.0
109.10190	0.6
113.06010	0.8
114.25977	0.6
117.07050	0.8
119.08591	1.2
121.06490	1.6
121.10122	1.4
123.04486	0.6
125.06057	0.7
131.08565	0.8
133.10101	0.8
135.11732	0.6
137.05928	0.6
145.10193	2.9
147.11671	1.3
149.02356	0.7
153.01811	1.3
157.07614	0.7
159.11746	1.3
163.03850	0.8
163.11177	2.8
165.01880	0.7
173.09633	1.5
174.06778	0.7
179.06989	1.2
187.11209	1.6
189.09102	1.4
191.10793	0.7
201.05624	0.6
202.06303	0.9
205.08575	0.8
215.07021	1.0
215.10725	1.4
216.07826	1.5
217.05103	1.5
217.08611	12.0
218.05733	5.8
219.06447	0.8
220.07295	2.3
221.08151	6.2
223.05914	0.6
229.04913	1.0
229.08659	1.0
230.05783	2.3
231.10165	4.7
233.08101	100.0
234.08792	5.8
241.08559	0.9
243.06474	2.0
244.07314	4.7
245.08113	10.5
245.11809	1.9
247.05902	1.1
247.09694	2.5
248.06757	1.4
253.05571	0.6
255.10188	2.0
256.07382	0.7
257.08112	4.3
258.08856	2.4
259.06064	2.5
259.09674	19.2
259.12384	1.3
261.07590	0.9
263.09164	75.0
264.09464	1.1
266.05994	0.6
271.09683	2.0
273.11234	14.2
275.08990	0.8
283.09589	3.9
285.07651	0.8
287.09158	39.5
288.09622	0.7
299.09149	12.1
301.10638	2.5
311.09119	9.3
317.10223	22.8
329.10229	17.7
329.13306	0.4
347.11288	14.8
365.12329	12.2
365.16696	0.7
383.13528	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	383.1342
Annotation	Uncinoside A
Peak:m/z	Relative Intensity
53.03939	0.7
55.01861	0.8
55.05511	1.7
56.57927	0.3
57.03428	1.1
57.07066	1.1
61.02915	1.2
67.05508	2.1
69.03439	2.6
69.07082	1.5
71.05001	0.7
71.54055	0.4
73.02921	0.5
76.05518	0.3
79.05494	2.2
81.03445	1.5
81.07067	3.9
83.04987	1.1
83.08635	0.8
85.02435	0.6
85.02914	6.7
91.03954	0.4
91.05503	2.1
93.07060	3.1
95.04971	0.8
95.08624	4.1
97.02900	2.2
97.06541	1.1
97.10189	0.4
98.21336	0.3
99.04443	0.8
99.50845	0.4
100.11275	0.5
103.03880	0.4
104.55154	0.3
105.07043	5.8
107.04974	1.8
107.08611	3.3
109.02866	0.5
109.06522	1.0
109.10170	3.6
111.04447	0.5
111.08102	1.0
117.07011	1.0
117.50555	0.3
119.08598	4.2
121.06509	1.1
121.10140	2.2
123.04400	0.5
123.08078	0.5
123.11720	1.6
125.06021	0.6
127.03941	1.1
129.05525	0.4
131.08580	0.9
133.04970	0.4
133.06551	0.5
133.10147	3.6
135.08049	0.8
135.11685	1.3
137.05949	0.9
137.09593	0.6
139.03935	0.4
143.08542	0.7
145.04961	0.5
145.10143	2.7
147.08067	2.2
147.11711	4.7
149.09612	0.4
149.13271	1.3
151.11263	0.6
155.08496	0.3
157.04893	0.4
157.07635	0.5
157.10129	0.5
159.08186	0.4
159.11705	1.5
161.09676	0.5
161.13260	3.2
163.03888	0.6
163.11220	2.0
165.09169	0.6
170.11011	0.4
171.11716	0.5
173.09593	1.0
173.13310	0.7
175.06068	0.5
175.14841	0.8
181.05090	0.4
181.12381	0.4
185.13350	0.4
187.11224	1.7
187.14777	0.4
189.16321	0.5
191.07112	0.7
191.10652	0.9
191.14259	0.5
201.12796	0.5
201.16522	0.4
203.08203	0.7
203.14345	1.1
203.17982	12.2
205.04967	4.2
205.12315	0.7
206.05774	10.7
209.11627	0.4
215.10660	1.1
219.13892	0.4
221.08112	100.0
221.15361	4.8
221.18916	4.0
222.08423	1.6
229.12303	1.1
229.19577	0.3
231.17400	0.5
233.11696	0.7
247.13371	1.2
259.06116	0.6
266.88950	0.3
277.07266	0.3
317.10373	0.5
329.20996	0.4
365.23523	0.5
383.11319	1.3
383.16061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1123
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
54.60569	0.8
55.01869	1.7
67.05494	3.5
69.07078	1.1
71.53496	1.1
76.24812	0.7
78.04708	3.5
79.05494	2.1
81.03381	1.0
81.07082	1.1
82.04214	1.0
83.04987	0.9
83.41410	0.7
91.05492	2.1
93.07063	1.3
95.04961	1.0
95.08578	1.3
105.03408	1.3
105.07029	0.9
106.04164	2.8
107.04964	2.2
109.10161	1.6
116.52243	0.7
117.07062	0.9
119.04931	2.6
119.08579	1.8
123.04465	5.3
131.04898	0.8
133.02950	1.3
134.03627	8.1
135.04407	3.5
139.03923	14.2
144.05849	0.8
147.04420	5.2
147.11685	1.6
148.39944	0.9
149.02335	1.1
151.03960	2.9
153.01778	0.9
157.06506	1.3
157.07645	1.3
159.04436	2.0
161.02431	1.3
162.03114	6.1
163.03894	8.2
165.07054	0.9
171.08034	0.9
173.06052	1.5
173.11685	1.4
175.03920	22.7
175.11243	0.9
176.04668	2.5
179.03416	14.9
185.05966	1.3
185.27594	0.9
187.03926	3.2
191.03403	3.6
197.05954	1.3
201.05438	4.7
201.16415	1.0
203.03418	13.1
203.18019	1.1
208.07265	1.4
211.07457	0.9
215.03429	1.5
225.05428	0.9
229.04955	3.5
233.08047	1.5
239.07089	3.1
245.08150	12.9
251.07053	1.3
251.33211	1.0
257.04401	1.7
267.06555	3.9
269.08194	1.6
271.06152	1.0
283.06091	1.0
291.19510	2.0
295.06076	3.2
297.07681	1.7
297.90311	0.8
313.07050	5.2
340.37726	0.9
341.06564	12.0
365.23309	1.9
383.11264	100.0
384.11554	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
53.21157	0.6
57.03433	1.1
60.04522	0.5
61.02932	0.6
61.24587	0.5
69.03439	4.5
69.07063	1.0
69.23389	5.0
70.06580	0.8
71.05003	1.3
73.02930	0.9
81.03419	2.3
83.03495	0.5
85.02913	14.3
85.06538	0.5
87.04473	4.9
91.05476	1.3
93.07048	0.6
97.02904	3.6
98.41614	0.5
99.04443	1.0
99.08090	0.6
107.08629	0.6
109.02880	1.8
109.06514	0.7
115.03944	17.4
119.04951	0.7
127.03931	6.3
130.06517	1.1
133.04993	4.7
136.06194	1.5
145.04962	6.2
145.10130	0.8
147.04416	2.8
148.06212	0.8
157.07637	1.8
163.03952	0.7
163.06018	1.2
181.04930	0.5
203.08197	2.3
206.09276	0.6
220.06129	0.7
221.06245	0.7
221.08023	0.8
221.11865	1.0
222.13547	6.0
238.05400	3.5
259.08200	1.1
277.09216	1.7
304.65503	0.6
371.87689	0.6
383.13159	100.0
384.13062	1.6
384.18652	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1335
Annotation	Inumakilactone C
Peak:m/z	Relative Intensity
55.01859	1.3
55.52187	1.2
67.05515	1.6
69.03413	1.8
69.51056	6.0
69.51469	2.1
72.72821	1.2
79.01850	2.1
79.05482	1.4
81.03437	1.5
81.07066	1.9
85.02899	1.9
89.34428	1.3
91.05487	2.3
97.02930	1.5
98.21522	2.4
103.35304	1.1
105.07078	1.8
107.08598	1.3
119.08568	1.3
121.15260	1.1
127.03867	1.3
131.08553	1.4
137.84355	1.5
139.03825	1.3
157.07713	1.5
163.03934	1.2
163.11261	1.4
167.10693	5.1
177.05367	1.8
177.09073	1.9
192.07732	1.2
193.08656	3.8
203.17856	1.3
205.08606	2.5
206.09369	4.8
209.08151	2.2
215.07069	1.3
217.05019	4.9
218.05788	3.3
220.07295	2.7
221.08054	2.1
228.97951	1.4
232.07301	1.8
233.08090	81.2
234.08862	31.9
235.09680	2.2
243.03032	1.6
244.07347	1.5
245.08116	12.5
247.09688	19.3
248.06773	6.6
257.08093	3.5
258.08878	4.8
259.05997	3.1
259.09750	3.6
261.07562	3.6
263.09152	98.1
273.07971	1.8
273.11166	19.9
275.09058	4.8
277.10574	2.4
287.09137	24.0
293.10205	4.3
299.09250	2.2
301.10687	7.8
305.10211	2.5
317.10153	21.4
329.10260	13.8
347.11298	31.9
365.12308	43.2
365.16791	2.2
383.13354	100.0
384.13712	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.5
55.01873	2.7
55.05511	12.6
57.03424	3.5
59.04995	4.3
67.05498	5.2
69.03436	11.6
69.07069	7.3
69.19209	11.4
69.19627	7.8
71.04991	3.9
78.49188	2.0
79.05508	13.0
81.03407	4.6
81.07066	16.2
83.04974	9.8
83.08575	2.2
85.02911	25.5
85.06564	4.2
87.00830	4.2
91.03963	2.4
91.05499	4.7
93.07049	10.4
95.04958	11.9
95.08620	13.3
97.02897	9.6
97.06529	6.7
97.10164	2.6
98.20702	4.4
99.04396	2.5
99.08093	11.8
101.93485	2.1
105.01869	5.8
105.07049	4.0
107.08603	55.3
109.02844	4.2
109.06541	3.7
109.10159	23.9
111.08074	2.5
111.11716	3.8
113.06058	2.4
113.09563	2.4
115.03969	2.7
117.09162	2.7
121.10162	23.7
121.10954	3.3
123.08060	12.1
125.09645	20.7
126.08854	2.0
127.03895	8.9
127.11179	2.9
137.09669	10.3
139.11194	18.7
143.07053	2.5
145.04976	6.9
149.09599	8.8
149.36613	2.6
155.10683	18.6
157.12253	7.8
167.10695	81.0
185.11746	100.0
203.12801	93.1
231.05106	2.5
249.06131	2.9
262.49118	2.4
299.80865	2.3
309.23993	2.2
382.28018	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	382.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55714	1.0
55.01873	1.3
55.05504	1.7
57.03429	3.3
61.02924	1.6
67.05508	17.7
69.03422	2.4
69.07066	1.3
70.87525	2.6
71.04990	1.3
73.02900	2.5
78.07083	1.1
79.05495	15.6
81.03407	1.2
81.07062	11.6
83.04971	3.2
85.02914	6.0
91.05459	1.8
93.03398	2.0
93.07034	3.4
95.08569	1.4
97.02909	2.0
97.06563	1.8
97.10112	1.6
99.08107	8.3
105.07037	1.9
107.08601	41.9
109.10172	9.7
111.03709	1.6
111.04449	19.1
112.94141	1.1
117.09111	1.0
121.10135	3.1
124.07594	1.1
125.05954	1.2
125.09646	8.5
127.03923	2.4
135.08061	5.8
139.11172	2.2
145.04955	1.5
147.04419	1.4
149.09679	1.3
153.09116	52.3
167.10687	7.1
171.10172	100.0
172.10510	1.4
185.11768	11.1
203.12793	32.1
203.17986	1.8
382.11792	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	382.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98637	0.3
55.95782	0.2
56.96567	7.2
58.44310	0.1
58.98042	0.2
70.55733	0.2
70.56031	0.3
71.95266	2.3
77.19813	0.1
98.97587	100.0
99.97939	0.3
105.03397	0.3
116.98624	56.4
134.99661	18.1
140.00198	1.5
153.00702	2.0
158.01250	0.8
163.15480	0.2
166.58658	0.2
172.94485	0.2
174.97676	0.5
177.00900	0.2
179.35617	0.2
181.03447	0.3
181.97397	0.3
189.00340	0.9
192.98798	0.3
198.97705	0.4
207.01392	1.3
216.98755	1.7
217.98840	0.6
218.98714	0.2
219.02113	0.2
223.33884	0.1
225.96434	0.2
232.96490	0.2
233.96680	0.2
234.99797	2.0
235.99937	0.6
240.98662	5.6
243.03438	0.2
246.74547	0.2
256.96704	0.5
257.96899	0.7
258.01685	0.2
258.99768	80.1
259.99954	2.2
261.00327	0.2
261.03055	0.9
262.03326	0.2
273.01334	0.2
274.97543	1.5
275.97882	1.1
277.00821	82.4
278.00974	2.0
279.01215	0.6
282.01358	2.4
282.99863	1.0
284.00055	0.2
284.99625	0.2
291.02267	0.3
292.98721	0.7
295.01959	0.5
298.97598	0.7
299.97937	1.6
300.02435	2.8
300.44662	0.2
300.97491	0.3
301.01047	0.8
302.01224	0.1
316.98886	0.7
317.98929	1.9
318.98672	0.3
330.78375	0.2
334.92639	0.2
341.99103	1.6
342.98624	0.3
355.16379	0.3
359.00024	0.6
360.00095	2.9
360.16541	0.4
360.99582	0.4
378.17642	1.9
382.99835	2.9
401.00980	8.5
402.00891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43465	1.4
72.73775	0.8
201.01668	2.7
219.02686	2.5
381.07971	100.0
382.08203	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.05502	1.2
57.03415	0.5
57.07068	0.7
61.02923	0.9
67.05513	2.8
69.03431	2.5
69.07070	2.2
71.04982	0.8
71.54959	0.5
71.95935	0.4
73.02906	0.4
73.76961	0.3
74.32427	0.3
79.05494	1.3
81.03427	1.3
81.06591	0.6
81.07059	9.0
83.04949	1.1
83.08628	1.1
84.08138	0.9
85.02910	3.2
91.05494	3.4
93.07050	3.0
95.04998	0.6
95.08606	4.7
97.02879	1.4
99.04431	0.5
100.51826	0.3
105.07037	12.5
107.08598	2.3
109.02880	0.4
109.06516	0.4
109.10174	2.4
110.69125	0.4
115.05450	0.5
117.07021	3.8
119.08583	7.1
121.06499	0.5
121.10162	2.1
123.08096	0.3
123.11696	0.6
127.03900	0.9
128.06213	0.4
129.07010	1.3
130.07774	1.1
131.08577	16.9
133.10117	3.2
135.11678	1.5
141.06955	0.4
142.07780	1.1
143.08546	2.4
144.09355	3.7
145.04881	0.3
145.06564	0.3
145.10121	8.4
147.11693	16.8
149.09599	0.4
151.11209	0.4
155.08597	0.4
157.10130	4.5
159.11694	100.0
160.12160	1.1
161.09584	0.4
161.13284	2.1
161.15445	0.3
163.11171	1.1
169.10213	0.4
169.99153	0.4
171.11714	0.4
173.09593	0.7
173.13293	0.8
181.10078	0.4
183.11728	0.5
187.11166	0.3
187.14966	0.4
194.15553	0.3
199.14816	1.2
201.16388	25.2
202.16714	0.4
203.17966	12.2
211.14816	0.5
219.17473	1.5
239.98712	0.4
287.16028	0.3
345.20547	0.5
387.45407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1711
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
54.00649	1.2
56.96582	2.3
57.07064	1.5
61.02941	1.6
67.05515	3.0
69.07060	2.0
69.62453	2.3
69.62864	4.9
70.02951	2.9
72.04523	6.5
73.02940	1.8
85.02926	6.6
85.06543	4.2
86.09736	1.5
89.03931	1.9
90.05567	55.3
91.05486	1.6
95.04986	2.9
97.02912	2.0
97.38525	1.2
98.02417	6.9
98.97623	2.1
100.03967	1.5
103.07621	3.0
112.07596	1.2
113.06033	2.7
113.86124	1.1
116.03454	8.1
117.03381	2.6
119.04931	3.2
124.07629	9.0
127.04003	1.5
135.04474	1.6
139.03813	1.6
145.02913	1.4
147.04462	12.2
153.73325	1.4
163.03917	6.9
166.08766	1.7
184.09718	11.2
185.08035	1.6
191.70222	1.3
202.10773	17.3
220.11832	100.0
358.34567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01870	1.1
57.03416	1.2
60.04514	1.5
67.05491	3.5
68.99782	1.9
69.03431	4.6
69.91145	3.7
71.05009	4.0
73.57718	0.9
75.01890	0.8
79.05485	5.0
81.03403	3.0
81.07063	6.1
83.04961	3.6
83.08597	1.3
85.02911	8.5
87.04440	1.6
87.77052	0.8
90.21675	0.8
91.05489	12.3
93.07027	3.4
95.04960	2.4
95.08616	11.9
96.03642	0.8
97.02882	2.7
97.06517	1.4
98.21530	0.9
98.97560	1.1
99.04441	1.6
105.07037	10.7
107.04971	2.4
107.08560	1.8
109.02885	26.3
109.06510	3.4
109.10146	1.9
110.50510	0.8
111.08070	1.4
115.03874	1.2
119.08598	4.0
121.06508	0.9
123.08079	10.1
127.03929	46.9
133.06473	2.2
137.06027	1.0
137.09610	3.8
141.05435	2.7
145.04951	1.7
147.08116	1.5
151.07550	10.8
155.10657	2.5
165.09140	3.5
169.08612	100.0
177.06618	1.5
183.10153	10.1
201.11226	41.2
202.11581	1.0
221.05638	7.4
246.05206	1.6
308.06558	1.3
336.09924	0.9
337.10394	1.8
352.09018	1.9
380.07922	5.7
380.26462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.7
55.05504	4.0
56.05033	2.7
57.03438	3.8
60.04531	3.7
67.05505	6.2
69.03438	7.6
69.07067	3.2
70.06615	4.2
71.05001	48.9
71.53628	4.0
79.05507	14.5
81.03426	4.4
81.07073	28.8
83.05008	4.3
83.08645	2.6
85.02921	18.9
85.06553	15.6
86.09714	3.8
91.05486	14.3
93.07056	19.2
95.08616	18.3
97.02927	3.8
97.06527	5.5
99.08101	4.8
105.07041	13.6
105.31638	2.7
107.08588	18.5
109.06519	7.6
109.10142	4.2
111.08113	4.4
113.06005	9.6
119.08604	10.7
121.10153	11.0
123.08100	6.2
123.11713	6.8
125.09650	37.0
127.03905	3.1
127.07545	4.5
131.08731	2.5
137.09610	9.5
137.13264	6.4
145.04970	4.6
147.11682	18.0
165.09171	14.9
165.12775	94.5
169.12260	2.7
183.10262	16.3
183.13834	100.0
201.11246	12.3
215.08319	4.5
239.08167	3.6
243.07767	2.9
244.09302	3.3
245.09789	8.8
267.07690	18.7
285.08728	12.5
295.07269	3.0
313.08231	10.7
331.09280	21.9
352.08997	3.7
380.08511	13.8
380.16422	4.1
380.21432	3.0
380.26376	7.0
381.12836	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	380.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
55.05504	2.0
56.31702	0.9
59.04992	3.4
61.02918	4.0
67.05495	3.6
67.36671	0.9
69.03428	3.0
69.07047	2.4
69.17740	8.8
71.04999	2.4
79.05494	4.0
81.03414	1.2
81.07066	11.5
83.08620	3.8
85.02918	11.3
85.06548	13.6
91.05496	3.8
92.74371	0.9
93.07044	3.7
95.08620	7.5
97.02883	3.2
99.04468	1.3
99.08106	2.1
105.07036	7.8
107.08601	48.4
109.06515	5.0
109.10159	3.0
113.06032	1.6
119.08575	3.4
121.10149	34.6
121.11034	1.7
123.08050	7.7
123.11710	23.2
125.09637	36.0
127.03944	1.7
135.11682	3.8
137.09624	17.3
137.13264	1.8
145.04987	1.9
147.11700	35.8
165.12767	74.6
172.18976	1.0
183.13820	100.0
195.02629	1.0
201.14879	46.8
324.09445	1.5
334.08157	1.4
380.08377	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	380.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91299	0.8
53.32167	0.7
57.03437	1.6
57.07085	14.6
58.06602	1.6
58.07384	0.8
61.66225	0.7
68.05032	1.8
69.03420	1.4
69.07061	1.4
70.06593	2.7
70.49185	2.3
73.02946	1.1
75.35761	0.7
78.17308	0.7
81.03417	0.8
81.07073	1.7
82.06592	1.3
84.08148	3.0
85.02921	3.8
85.06531	1.0
88.04002	14.0
88.04526	0.8
91.05470	1.0
95.08625	0.9
97.02883	0.9
105.07077	1.1
107.08612	1.1
109.10219	0.7
109.36387	0.7
115.03936	3.2
121.02904	3.5
123.11742	1.0
124.07610	1.7
128.07103	5.4
133.04967	1.9
145.05008	2.4
145.06483	1.2
147.04471	3.0
147.11659	1.2
157.06458	1.3
163.07413	1.3
165.12793	1.5
173.06012	2.6
175.03943	1.4
175.07509	1.8
178.06149	0.9
181.04945	1.2
183.07991	0.9
183.13867	2.4
187.07587	1.5
188.32658	0.7
197.09564	0.9
199.07661	1.2
200.08502	1.2
201.05481	2.3
201.09116	0.9
203.07098	1.6
205.05043	1.8
211.07512	1.4
211.11224	2.0
212.08203	0.8
213.09106	2.5
213.12704	1.7
215.10733	1.5
219.06566	2.1
223.11330	1.1
224.08278	1.1
225.09212	1.8
229.05003	2.1
229.08601	0.9
229.12366	2.1
231.10164	7.9
239.10664	3.9
241.08781	1.4
241.12280	2.4
243.10416	1.0
247.05997	1.2
247.09698	2.0
248.10172	1.3
250.10822	6.3
253.08661	1.2
256.91693	0.8
257.08203	1.5
257.11810	2.5
259.09747	3.0
259.13495	0.9
260.10059	1.8
267.10147	2.0
271.09686	5.2
277.08994	1.2
285.11203	4.3
287.12900	1.4
288.12714	1.2
296.11356	23.1
300.16022	1.0
302.11066	0.8
303.12454	2.8
313.10727	1.7
316.15497	19.9
332.12073	1.7
334.16507	3.6
362.11493	0.9
362.16049	41.5
380.17102	100.0
381.17725	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93864	1.3
53.03936	2.3
55.01875	1.8
55.05516	3.3
57.03442	2.8
58.23072	1.3
59.05003	1.2
61.02921	2.6
67.05499	10.2
69.03441	13.4
69.07056	3.8
69.29032	1.4
69.57607	1.5
70.06583	9.9
71.04981	4.5
71.53675	2.9
79.05498	4.0
81.03405	3.6
81.07048	5.8
85.02917	20.1
85.78322	1.6
91.05486	10.1
93.07039	13.1
95.08617	56.2
97.02894	4.6
97.06548	2.2
99.04464	5.3
105.07043	3.9
107.08565	4.3
109.02875	2.1
109.09043	1.5
109.10178	20.4
111.08057	1.7
113.06016	2.2
116.07102	20.1
119.07824	1.7
119.08604	21.4
119.56015	1.4
121.10136	1.8
123.11682	6.0
127.03867	1.9
137.09625	58.6
138.09976	1.4
145.04936	4.8
147.08058	2.8
147.11687	5.1
155.10686	24.7
163.03885	3.4
165.09128	37.9
165.12724	4.7
175.62764	1.6
180.08661	5.9
183.10190	44.2
183.13747	7.8
201.11238	100.0
201.15016	7.1
203.10593	2.3
217.04486	1.6
218.13997	3.2
247.09671	2.7
265.10684	2.3
380.16763	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	380.1708
Annotation	Bruceolline M
Peak:m/z	Relative Intensity
52.13084	0.8
55.01873	1.9
55.05508	1.7
57.03428	1.9
57.06832	1.4
57.07082	16.2
58.06607	1.2
67.05500	1.9
69.03428	1.8
69.07066	2.2
69.78472	4.9
70.06592	2.7
79.05504	0.8
81.07062	5.0
82.06566	1.6
83.08618	1.1
84.08134	2.6
85.02908	4.1
85.06556	1.6
88.03999	12.1
91.05458	1.1
95.08615	3.2
97.02914	1.4
105.07034	1.6
107.04955	1.5
107.08583	2.2
109.02875	0.8
109.06503	0.8
115.03946	3.6
119.08606	1.5
121.02884	4.3
121.10176	1.9
123.11764	0.9
124.07574	1.1
127.07617	1.0
128.07100	4.1
133.04950	1.0
133.10071	1.0
137.13281	1.2
139.03893	1.1
142.07770	1.0
143.08595	1.0
145.05013	1.1
145.06439	0.9
145.10097	1.1
146.08136	1.1
147.04416	2.6
147.11717	1.9
149.06050	1.0
157.06502	1.2
157.10100	1.2
159.08162	1.4
159.11629	1.0
163.03894	1.0
165.12770	1.7
169.10150	0.9
173.06013	3.3
174.43597	0.8
175.07623	1.7
181.05042	1.3
183.13809	4.2
184.75827	0.9
185.05956	0.9
187.07457	1.0
187.11215	1.3
189.09119	1.0
197.09618	1.8
199.07562	0.9
201.05498	1.6
201.09236	1.5
201.14803	1.4
203.07129	1.3
205.04926	1.5
206.05478	1.5
211.07532	0.8
211.11172	1.2
213.09056	1.8
215.06921	0.9
215.10623	2.1
217.15956	1.2
219.06580	2.7
223.11169	1.0
224.08357	1.2
226.77789	0.8
229.04805	1.7
229.08739	1.4
229.12320	1.1
231.10147	7.4
231.13661	0.9
239.10704	3.7
241.08739	1.1
241.12230	2.5
243.10359	1.3
247.06152	1.3
247.09712	2.5
247.13248	1.2
248.09985	2.3
250.10808	6.3
253.08633	1.2
257.11731	2.6
258.22470	0.8
259.09656	2.7
259.13312	1.0
260.10056	2.0
261.11362	1.3
262.11536	0.8
267.10190	1.8
271.09738	4.2
272.16373	1.1
277.08972	0.9
285.11127	4.5
287.12720	1.6
288.16077	1.8
296.11316	19.6
300.15985	0.9
302.11179	1.7
303.12210	2.4
313.10840	2.4
316.15485	17.7
318.17001	1.3
331.11667	1.5
332.12103	2.8
334.16660	4.7
362.16071	39.7
363.16507	1.5
380.17099	100.0
381.17242	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	379.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43267	1.4
56.05040	10.6
56.96563	5.5
57.03434	5.8
58.06586	3.5
61.47636	1.4
68.05019	2.1
69.03423	2.8
70.06581	5.4
71.05002	2.6
71.52859	2.7
73.02913	2.8
74.06081	83.4
75.04474	11.4
83.04971	5.5
84.04489	3.2
85.02898	13.7
86.06028	2.6
86.09715	19.8
91.05476	4.8
95.04966	2.6
97.02879	3.0
98.06049	10.1
98.97579	4.6
99.00796	2.2
101.07144	2.2
107.04964	1.9
111.04426	4.3
116.07085	9.7
119.04961	11.3
121.02849	2.4
130.06514	4.2
132.08063	1.5
132.10199	22.5
137.05997	3.9
139.03905	3.8
146.06026	1.8
147.04424	25.5
158.06004	5.6
163.03874	3.2
169.02591	6.4
169.13426	2.7
173.39299	2.0
185.01271	3.1
187.14424	12.1
195.06400	1.6
203.02228	1.8
211.14513	2.3
215.01570	2.9
215.13913	8.4
217.10483	4.2
225.07005	1.9
229.03587	1.8
233.02686	29.5
233.14969	100.0
234.98926	4.3
239.13783	1.7
243.03529	1.5
245.09216	5.4
249.02916	2.2
252.03871	6.1
257.14960	9.6
261.04440	1.6
265.05484	1.6
275.16049	17.7
287.10495	1.6
289.03799	1.8
291.09869	3.8
319.09888	1.4
325.17593	3.2
361.04721	1.7
379.06363	14.1
379.10754	3.4
379.15768	43.5
379.20193	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64063	0.7
55.05513	2.4
56.05030	2.5
57.03434	2.2
57.07079	25.3
65.41713	0.7
67.05505	1.5
68.05029	1.5
69.03432	6.0
69.07078	5.6
70.06580	2.6
71.04968	0.9
71.52999	0.8
73.02928	0.8
74.02433	6.5
79.05465	2.0
81.03424	1.4
81.07063	4.8
82.06584	5.9
83.04982	1.2
83.08641	0.9
84.08148	1.2
85.02908	8.1
85.06538	2.8
87.04462	2.4
91.05477	1.3
93.07037	1.3
94.07417	0.9
95.08612	4.9
97.02882	2.5
98.97587	2.3
99.04459	2.8
105.07040	2.5
107.04948	2.9
107.08611	1.9
109.02910	1.6
109.06515	1.1
109.10172	1.5
111.11705	2.1
112.27563	0.7
114.05540	2.1
115.03938	7.7
117.07078	0.9
119.08580	1.6
121.10136	2.3
123.11700	3.2
124.07589	1.8
125.09613	1.1
127.03911	2.4
128.06203	1.4
128.07077	11.9
129.07039	1.0
131.08562	1.1
133.04980	2.4
135.04430	1.9
135.11688	1.3
137.06042	0.8
139.03880	2.1
139.11174	5.2
143.08580	1.1
145.04994	4.0
145.06485	1.9
145.10101	1.1
146.45242	0.8
147.11626	1.0
153.12903	0.8
159.08046	3.3
161.06047	2.6
161.09627	1.5
163.03899	2.6
163.07535	1.2
165.12747	1.7
171.08046	1.2
173.09618	0.9
175.04036	0.9
175.07573	1.7
177.05432	1.5
177.09100	3.0
181.04909	1.9
183.08093	1.3
183.13832	3.8
185.09715	1.6
187.07542	7.5
188.08369	1.5
189.05453	2.5
189.09076	1.9
191.07051	1.4
191.14311	2.1
195.10178	1.1
198.10292	0.9
199.07590	1.3
201.05450	1.1
201.09114	3.9
201.14825	7.2
203.07092	1.9
203.10681	2.3
204.10161	3.9
205.08603	2.2
207.06520	4.4
209.15338	1.4
211.11156	1.0
213.09111	1.8
213.12584	0.8
214.09802	0.9
215.07060	2.6
215.10681	2.0
216.07860	0.9
217.08649	1.7
219.06512	2.3
219.10176	3.1
225.12787	1.9
227.10793	3.6
227.14333	1.0
229.08647	5.5
229.12241	1.0
231.10170	7.6
233.08093	5.1
233.11894	1.1
234.08846	1.3
237.12750	1.1
238.09932	1.5
239.10565	0.9
240.11479	1.6
241.08763	0.9
241.12268	0.8
242.11969	0.9
243.06516	2.9
243.13847	2.7
245.11760	3.6
247.09668	13.4
250.10774	13.0
253.08583	1.1
253.12276	7.4
255.13777	2.5
261.11404	1.3
261.14850	2.4
266.09296	0.9
270.14923	2.4
271.09579	1.6
271.13300	5.5
272.16336	1.0
273.11249	3.9
273.14944	2.6
274.14581	1.0
277.09299	1.4
281.11765	2.8
282.14935	0.8
283.13376	1.1
285.11343	1.4
288.16016	1.0
289.14636	3.6
296.11313	33.2
298.14407	1.9
299.12698	10.0
299.15353	0.9
300.15979	1.8
301.14401	2.0
316.15405	10.8
317.14023	1.5
318.17084	1.9
327.12100	1.6
334.16620	5.1
344.15067	1.1
362.15997	63.2
380.17062	100.0
381.17465	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14535	0.4
53.03947	0.6
55.05509	4.6
57.03425	0.8
57.07073	3.7
61.55609	0.4
67.05499	1.5
69.03417	0.8
69.07063	1.1
69.88428	0.9
69.88840	2.0
73.02902	0.5
79.05485	0.6
81.07059	2.5
83.04986	3.3
85.02911	1.6
85.06544	2.4
91.05490	0.8
93.07046	4.0
95.04959	0.5
95.08608	5.9
95.79567	0.4
97.02917	0.8
97.06532	1.5
105.07027	1.2
107.04996	0.5
107.08599	8.6
109.06531	1.5
109.10165	1.4
111.04447	48.8
111.08088	1.5
113.05991	1.1
117.06976	0.5
119.06053	0.5
121.06519	1.2
121.10153	1.8
122.07285	0.7
123.08060	0.8
125.05995	13.1
127.07558	1.7
131.44220	0.5
135.08066	6.9
135.11697	11.8
137.13292	1.1
137.83910	0.5
139.07542	2.4
145.10136	9.5
153.12770	2.9
163.11194	13.4
181.12244	100.0
182.12622	1.0
199.13304	46.2
302.71014	0.5
307.34647	0.5
338.74374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05267	0.6
55.05510	5.4
57.03418	0.9
57.07079	4.8
63.47235	0.5
65.62538	0.5
67.05495	1.6
69.03429	1.0
69.07066	1.4
70.06935	0.7
70.07270	2.2
79.05492	0.7
81.07063	2.8
83.04992	3.7
85.02887	1.9
85.06532	2.1
87.50678	0.5
88.60652	0.6
91.05455	0.8
93.07054	5.0
95.08621	5.0
97.02889	0.8
97.06525	1.8
98.20800	0.6
105.07039	1.4
105.31644	0.5
107.08593	8.5
109.06503	1.5
109.10146	1.6
109.63438	0.6
111.04453	52.0
111.08076	2.2
113.06006	1.3
117.07030	0.9
119.08554	0.6
121.06435	0.9
121.10130	0.9
122.57665	0.6
123.08051	1.3
125.05998	13.3
127.07589	1.0
130.07779	0.6
135.08066	7.6
135.11699	10.7
137.13263	1.2
139.07556	2.3
145.10136	10.4
147.07982	0.6
153.12749	4.0
163.11191	14.4
181.12247	100.0
182.12556	0.9
199.13312	49.0
210.14745	0.6
225.51329	0.5
378.22125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.6
69.07068	2.5
71.04999	12.2
71.13912	3.9
71.14251	3.4
72.08163	3.3
79.05482	2.7
79.32174	2.3
81.07060	16.1
91.05443	3.2
93.07040	9.9
95.08629	4.6
107.08597	6.5
120.08085	4.2
135.07982	2.5
135.11703	15.7
137.72505	2.2
139.03859	2.6
153.12753	100.0
230.40900	2.0
378.24738	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	378.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47191	0.8
53.03926	1.1
55.01868	4.5
55.05504	1.1
67.05500	1.9
69.03416	3.5
69.07059	1.9
69.67200	0.8
70.72289	1.7
71.04957	1.3
79.05499	2.0
81.03402	1.6
81.07076	1.3
83.04983	1.0
85.02919	4.1
89.03864	1.1
91.05472	2.8
92.11936	0.9
93.07044	6.5
95.04958	2.0
95.08607	4.4
95.09126	0.9
97.02856	1.6
97.06522	3.8
98.20831	1.2
105.07018	2.9
106.02890	2.2
107.04938	1.2
107.08585	2.6
109.06488	1.4
109.10161	2.9
111.08057	5.6
113.66806	0.9
116.71308	0.8
119.04957	1.1
121.02857	2.7
121.10146	8.0
123.08066	7.6
124.03948	8.9
127.03872	1.1
127.11210	3.2
137.05992	2.5
139.11191	14.5
141.09084	3.4
145.10095	1.2
147.04404	1.5
148.05197	10.0
151.03827	1.1
153.09128	1.0
169.12216	2.9
181.08603	100.0
181.12048	6.7
199.09612	2.6
199.13300	10.1
243.08728	1.1
252.03973	1.4
279.06424	1.2
293.08014	1.1
295.05640	0.9
303.79193	0.9
307.06107	2.2
308.06757	3.2
314.74460	1.0
321.07608	2.3
322.08316	2.5
323.09219	1.3
336.06543	0.9
351.08527	7.3
378.07422	2.0
378.11603	4.7
378.15814	1.6
379.08154	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.4
55.01877	0.5
55.05514	4.4
57.07076	3.4
67.05500	1.1
69.03407	1.0
69.07062	0.8
69.37080	0.8
69.37484	2.9
75.75443	0.4
79.05495	0.8
81.07047	1.8
83.04995	2.9
83.70601	0.4
85.02886	1.1
85.06545	1.9
91.05463	0.8
93.07053	4.7
95.04960	0.6
95.08618	5.9
97.02884	0.7
97.06522	1.1
105.07011	1.2
107.08607	7.8
109.06509	1.7
109.10163	1.7
111.04453	47.5
111.08076	1.4
113.05988	0.7
117.06996	0.6
119.08575	0.8
121.06492	0.9
121.10130	1.0
123.08016	0.7
125.06009	11.8
126.14048	0.4
127.07568	1.4
135.08064	6.8
135.11707	9.7
137.13287	0.8
139.07532	1.2
140.75046	0.4
145.10147	8.8
153.12767	3.4
163.09860	0.8
163.11201	11.9
165.18858	0.4
167.96207	0.4
181.12248	100.0
182.12587	0.8
199.13310	46.3
335.67868	0.5
344.16025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
61.37925	0.2
67.05505	0.3
69.03410	0.8
69.73985	0.2
70.87632	0.6
76.13090	0.2
76.73798	0.2
78.03443	0.9
79.05498	0.4
81.03402	0.6
81.07084	0.3
81.44218	0.2
85.02898	1.2
91.05465	0.9
93.07041	0.6
95.04978	0.3
95.08605	0.7
97.02869	0.3
97.06535	0.3
98.97572	0.2
105.07031	0.3
106.02931	3.1
106.04105	0.4
107.04947	0.8
109.02898	0.5
109.06509	0.4
111.04436	0.4
111.08112	0.4
111.76332	0.2
119.04952	0.2
120.05717	0.4
121.10130	0.3
123.04443	0.7
123.08080	0.7
124.03967	9.5
127.03905	0.4
137.05986	2.5
138.06778	1.1
139.11214	1.6
141.09102	0.4
147.04373	0.2
148.05200	8.1
151.03941	0.5
154.41423	0.3
155.34514	0.2
166.06229	0.4
169.12341	0.3
181.08603	100.0
182.08940	1.2
184.07274	0.3
188.03313	0.3
199.13301	0.9
243.08853	0.6
250.07170	0.8
256.79077	0.2
268.08163	0.9
285.33621	0.2
310.67688	0.3
326.13803	0.2
351.08521	0.3
378.07520	0.5
378.11850	4.2
378.16257	0.4
379.08191	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72697	0.3
52.40396	0.3
55.38603	0.3
56.96564	0.7
60.04523	0.8
61.02924	0.6
66.08502	0.4
67.04222	0.4
69.03419	1.1
70.74722	1.0
76.52599	0.3
79.05481	0.6
81.03410	1.3
85.02906	6.0
91.05475	0.9
93.07010	0.6
94.63365	0.3
97.02905	1.3
98.97596	0.4
100.07658	0.3
102.59218	0.3
103.05450	1.8
104.47844	0.3
109.02893	0.7
109.40093	0.4
110.97540	0.4
119.04930	1.8
121.06526	0.7
122.03641	1.6
127.03944	0.8
131.04929	0.7
134.14847	0.3
137.05980	100.0
138.06329	0.9
145.04979	1.0
147.04419	3.1
149.06023	0.6
149.63081	0.3
151.07530	1.7
163.07542	3.6
167.06937	0.5
175.07677	0.4
181.08595	16.9
199.09697	0.7
213.00798	0.3
233.02666	0.9
289.10712	0.5
307.11761	0.7
325.12973	0.4
360.23743	0.4
379.06345	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73263	3.6
52.08845	3.3
53.03925	3.4
55.05507	20.0
57.03460	4.8
57.07071	5.8
61.09823	3.5
67.05500	37.1
69.03437	7.4
69.07072	38.2
69.76402	19.4
71.04992	6.4
71.51499	3.1
79.05495	26.0
81.07062	100.0
83.04985	4.2
83.08624	9.6
85.06537	8.4
86.09700	6.8
91.05484	19.3
93.07044	59.5
95.04980	9.8
95.08609	57.5
97.06527	11.6
97.10177	6.9
99.08094	5.0
100.89098	3.4
105.07035	27.7
107.08594	45.2
109.02879	4.1
109.06496	7.2
109.10156	53.5
111.08096	8.7
119.08566	21.2
121.10136	36.8
123.11700	43.2
125.09667	5.3
131.08554	7.5
133.10141	10.0
135.11726	25.4
137.13232	8.2
139.11206	4.6
145.10104	8.3
147.11726	17.6
149.13260	14.6
151.03943	3.2
151.11159	4.7
153.12767	7.9
159.11693	11.7
161.13268	5.3
163.14734	4.5
165.12775	8.2
171.11575	5.1
173.13367	5.1
175.14777	7.3
181.08693	3.7
181.12210	6.9
189.16356	4.8
199.14832	5.0
203.18109	4.3
222.09465	6.5
247.14883	5.7
287.23639	8.6
293.24744	4.2
305.24759	12.7
323.25906	7.2
377.15576	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	378.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21593	0.9
51.89610	0.9
53.03952	0.9
57.03454	1.0
60.04507	1.9
61.02934	1.0
69.03419	2.5
70.06573	2.6
71.05003	1.0
71.53267	1.2
73.02903	0.9
79.05492	1.6
81.03416	1.8
81.07046	1.1
81.67879	0.8
85.02912	10.1
91.05476	9.3
93.07047	9.4
95.04955	1.3
97.02887	3.5
99.04435	1.5
103.05460	4.0
105.07041	1.2
109.02924	1.7
119.04958	3.0
120.05813	1.1
121.06518	14.6
121.32061	0.8
123.04414	1.9
123.08118	0.9
125.05932	1.2
127.03934	1.5
137.06004	3.8
138.06801	1.1
145.04980	1.3
147.04453	2.9
148.05161	1.7
149.05956	4.4
151.03896	1.9
151.07552	1.5
153.05424	1.5
163.07555	1.4
166.06233	8.2
181.08600	100.0
182.09009	1.7
184.07278	1.5
199.09663	75.6
200.10023	1.2
211.09689	1.6
216.08862	2.6
223.09602	1.2
307.11533	1.2
360.23874	1.4
378.13690	1.2
378.18246	2.4
379.08633	1.6
379.13910	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2325
Annotation	Lungshengenin D
Peak:m/z	Relative Intensity
53.03943	4.4
55.05505	8.8
67.05494	6.9
69.07055	3.7
70.76584	6.3
79.05494	28.2
81.07061	100.0
83.08622	4.4
91.05488	6.5
93.07043	8.6
95.04959	5.2
95.08595	11.9
97.06522	4.4
103.91234	2.0
105.07053	15.6
107.08585	9.2
109.06525	14.9
109.10162	7.0
113.06026	3.3
117.07036	4.1
119.08562	14.1
121.06506	11.2
121.10140	8.4
123.08054	2.4
124.31229	2.2
129.06976	3.4
131.08548	10.6
133.10074	5.8
135.08029	5.4
135.11659	4.8
137.09642	3.2
142.07849	3.4
143.08568	8.7
144.14381	2.1
145.06493	2.8
145.10143	10.9
147.08070	20.9
147.11685	9.6
149.05811	2.4
149.09596	4.7
155.08516	2.8
156.09264	3.5
157.10168	10.3
159.08060	7.2
159.11742	15.7
161.09576	11.8
161.13191	4.6
169.10207	5.5
171.07964	4.1
171.11688	9.6
173.09622	9.2
173.13322	5.9
175.11205	19.8
179.10654	2.9
183.11691	4.9
185.09657	6.1
185.13289	3.4
187.11206	16.3
189.12743	18.1
197.13234	4.4
199.11226	5.5
199.14738	3.0
201.12741	7.5
205.12262	9.2
207.13821	6.7
211.11223	3.0
211.14769	2.5
213.12743	7.0
215.14424	4.8
217.12245	5.0
219.13750	7.1
223.13266	9.1
225.12793	3.1
231.13692	5.4
234.93538	2.6
237.14951	5.0
247.13307	4.7
253.19479	4.5
257.18988	5.3
261.18521	14.3
269.19138	14.1
271.20605	5.3
281.19009	2.5
287.20108	21.5
289.21677	3.7
299.20068	20.0
317.21243	20.0
335.22141	11.5
349.27872	2.3
359.22125	10.3
370.55301	2.3
377.23343	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	377.2323
Annotation	CHEBI:67689
Peak:m/z	Relative Intensity
55.05502	15.2
60.98970	8.6
67.05501	25.4
69.07062	24.6
69.72897	7.7
71.53697	8.8
79.05492	25.4
81.03367	9.8
81.07059	73.3
83.08614	9.3
85.06512	10.8
91.05450	36.5
93.07056	43.8
95.04946	21.5
95.08611	46.8
97.06512	17.9
105.07050	46.8
107.08580	43.8
109.06520	25.0
109.10160	24.3
117.07026	14.0
119.08576	52.6
121.06499	29.8
121.10130	26.6
123.08032	17.3
123.11741	13.7
129.07028	15.4
131.08553	48.4
133.10114	32.9
135.08063	31.0
135.11642	14.5
137.09557	13.4
137.13193	9.8
141.06950	17.6
142.76837	8.3
143.08585	24.1
145.10147	40.4
147.08017	16.2
147.11644	28.2
149.09651	16.1
155.07033	9.4
155.08485	15.2
157.10146	29.0
159.08054	15.1
159.11646	24.4
160.26709	9.0
161.09631	23.0
161.13293	9.3
165.12727	9.9
167.08517	9.1
169.10092	18.3
171.11720	27.3
173.09639	17.9
173.13261	23.7
175.11160	11.2
177.12769	12.8
181.70135	9.5
183.11740	18.4
185.09619	19.8
185.13174	14.3
187.11171	13.2
187.14914	10.5
197.13310	22.5
199.11172	11.1
201.12746	15.8
211.14738	12.2
241.15860	10.4
243.17482	13.4
243.20903	8.0
253.19493	13.2
261.18512	35.2
271.20706	20.0
281.18948	20.5
287.19962	11.7
299.20007	49.7
317.21021	24.1
335.22232	91.1
359.22137	100.0
377.23343	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.1
55.37660	2.7
67.05501	11.0
69.07068	5.0
69.16576	21.0
69.17001	8.9
72.83884	3.0
79.05499	25.7
81.07059	100.0
83.04969	2.8
91.05468	8.6
93.07034	13.2
95.04977	18.1
95.08610	18.8
95.16690	3.1
97.06525	20.6
99.07372	2.7
105.07053	13.4
107.08566	4.6
109.06507	7.6
109.10197	6.6
117.06999	4.7
119.08601	20.3
119.15235	3.3
121.06504	5.9
121.10175	4.0
123.08054	6.7
128.06299	3.5
129.06941	3.0
131.08554	10.6
133.10136	9.7
135.07985	5.9
135.11630	3.2
137.09630	17.9
142.07758	3.6
143.08578	6.8
145.10107	9.3
147.08044	9.9
147.11694	2.7
157.10091	5.2
159.08073	6.5
159.11682	7.2
161.09601	10.1
161.13286	6.3
165.09041	3.5
169.10130	5.9
171.11745	4.5
173.09596	3.3
173.13252	3.3
175.11246	4.5
183.11766	4.7
185.09613	6.6
187.11194	2.8
189.12735	5.0
197.13242	8.4
199.14700	3.4
201.12775	7.0
203.14410	3.1
206.41125	2.9
241.15852	4.2
243.13989	3.3
257.18927	2.7
261.18600	4.1
281.18951	4.7
299.16653	5.1
299.20068	98.3
335.21893	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	377.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	29.6
57.07064	8.8
62.99798	9.5
65.03960	9.8
67.05490	30.5
69.03416	27.7
69.07056	28.2
70.25684	9.1
71.53208	11.9
79.05508	50.0
81.07050	69.0
83.08612	11.1
85.06502	14.5
89.02151	10.9
91.05482	70.7
93.06547	11.3
93.07056	100.0
95.04957	15.4
95.08586	39.3
97.06535	50.1
97.10173	9.2
99.08116	12.8
105.07038	96.5
107.08607	45.6
109.06524	27.0
109.10179	12.6
112.91810	9.2
115.05469	10.0
117.06990	32.7
119.08596	86.8
121.06488	43.2
121.10136	26.7
123.08096	15.3
128.06219	17.8
129.06993	28.1
131.08566	53.8
132.83528	9.3
133.06419	11.7
133.10141	38.6
134.41554	9.2
135.08038	21.8
135.11659	13.3
135.28571	8.5
138.17813	8.0
141.06961	11.0
142.07724	22.6
143.08551	64.7
143.09528	10.5
143.34242	12.5
145.10118	66.4
147.07999	30.0
147.11684	41.1
149.09671	18.0
151.11174	9.9
155.08513	37.2
156.09338	10.8
157.10167	70.7
158.10849	10.0
159.08000	15.1
159.11714	31.3
161.09599	17.5
163.11250	13.2
168.09357	11.0
169.10141	43.0
171.11716	35.7
173.09622	14.0
173.13258	26.8
175.11137	22.0
179.08568	11.5
180.09349	11.5
181.10107	22.2
182.10880	20.3
183.11671	42.7
185.09558	12.8
185.13185	26.2
187.11192	25.0
189.12790	17.0
195.11775	21.9
197.13271	51.0
199.11172	12.8
199.14824	22.9
201.12737	26.4
207.11621	17.7
208.12532	13.7
209.13271	20.4
211.14818	11.4
215.14204	19.5
221.13240	17.0
223.14806	25.1
225.12775	14.2
225.16310	11.2
229.15720	11.7
239.17979	25.6
241.15933	23.1
253.19501	25.5
263.18048	16.7
271.20505	11.4
281.18918	58.5
287.69626	10.0
299.20087	62.6
317.21002	24.9
359.21970	17.8
377.23282	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
53.34594	3.1
54.90714	2.9
55.01868	10.8
56.96302	4.4
56.96573	65.4
57.03444	26.1
57.67907	3.1
61.02937	36.7
66.85695	2.9
69.03438	35.8
70.06581	5.6
70.98122	8.1
71.04996	9.9
71.52992	4.2
72.08166	3.4
73.02933	23.0
75.04485	3.5
81.03426	19.0
82.06579	7.5
84.04464	2.7
84.08151	4.3
84.96049	6.3
85.02921	100.0
86.03266	5.4
86.09670	2.9
87.04479	9.0
91.02397	3.1
91.03965	8.3
91.05509	9.0
97.02901	41.1
98.06030	4.8
98.97598	93.9
99.04451	7.7
100.07623	18.6
100.99146	4.0
101.00896	24.7
102.00967	18.9
103.02458	4.3
104.01261	3.0
106.01075	3.4
109.02914	11.2
110.97599	10.4
112.99140	8.8
113.00905	6.7
115.02519	5.6
115.03942	5.9
116.02538	4.8
116.07104	14.8
116.98626	33.0
118.01044	3.6
119.00206	3.8
119.01929	36.4
119.04953	11.3
120.02022	23.3
121.01678	5.7
121.06547	11.4
124.95486	4.1
124.99141	9.2
126.96980	4.4
126.98782	7.4
127.02546	3.2
127.03928	32.6
127.98943	5.3
128.02429	5.2
128.98604	15.9
129.02028	3.2
129.04004	3.8
131.00194	12.7
131.01938	13.5
132.00815	3.6
132.01988	9.3
132.03484	3.5
133.01755	5.2
133.03485	21.6
134.03616	10.8
134.99644	4.3
135.03223	3.1
136.06210	4.7
137.02911	4.0
140.98599	3.5
142.96613	3.9
143.00180	20.9
143.01912	12.8
144.02028	5.2
144.03328	4.3
144.99844	14.1
145.01724	3.8
145.03459	13.1
145.04962	19.5
145.99942	15.1
146.03583	5.5
146.08124	10.3
146.99649	12.5
147.03148	5.8
147.04332	27.8
148.02055	4.3
149.01186	5.0
149.03004	5.5
150.01773	5.1
150.03098	4.3
152.04924	4.6
155.01881	9.6
156.98016	4.0
157.03590	5.4
158.99698	9.6
159.01389	5.7
159.05049	8.8
160.01570	5.2
161.01244	10.3
161.02962	19.6
161.05591	17.2
162.03206	4.1
163.00883	3.8
163.02826	6.9
163.04337	4.1
165.00774	4.2
168.99820	8.7
169.03375	5.9
169.99936	15.4
170.05054	3.7
170.96104	5.4
170.99670	12.1
171.01328	5.0
171.05000	4.3
172.01431	3.4
172.97711	4.6
172.99329	4.0
173.01364	6.7
173.02988	14.9
173.99467	7.9
174.03204	5.7
174.04530	9.0
174.99146	6.4
175.01006	3.3
175.04445	6.8
176.03545	3.6
177.00749	8.5
177.02470	8.3
177.04193	4.0
177.06064	4.8
178.02592	7.8
178.04974	13.7
178.55153	5.2
179.02087	5.2
183.05064	17.0
183.55202	2.9
184.04979	3.8
185.02966	10.9
186.99338	5.5
187.00943	12.4
187.04582	6.8
188.00974	20.7
188.97104	4.9
189.00720	35.8
189.02347	6.4
190.02766	6.3
190.05862	11.7
190.98689	4.1
191.02400	3.5
191.03973	10.6
191.54199	3.9
192.04091	4.8
192.05565	9.8
193.00204	6.2
196.02762	26.9
199.06384	10.0
200.01064	6.6
200.04445	3.5
201.00755	3.7
201.02496	5.2
202.02666	5.4
203.02243	5.6
203.04044	9.3
205.00188	6.5
205.01976	6.9
206.02193	9.9
207.01791	40.8
207.03551	5.8
211.01068	3.2
214.03888	28.7
214.10733	11.2
214.98476	4.6
215.00417	11.4
216.00577	20.7
217.02016	7.7
218.02118	10.4
219.01776	11.4
219.03677	4.8
220.03758	8.6
221.05258	3.7
222.05551	3.6
224.03212	5.0
225.02933	6.2
226.02403	10.2
226.52594	4.4
229.01999	5.2
230.02155	8.9
232.00137	4.5
234.06566	3.6
237.02863	7.6
239.02167	6.1
242.03612	6.9
242.05782	4.2
244.00293	5.1
245.01373	3.5
245.05174	23.5
246.01715	11.0
247.03131	11.3
248.03262	29.9
248.99179	4.7
249.07033	4.1
255.04292	13.7
255.07056	7.6
256.00098	9.8
256.04999	4.1
257.06036	5.9
259.01227	5.0
263.06149	6.6
264.05081	3.8
264.07736	24.4
266.04309	6.7
270.04935	4.4
271.08383	3.9
272.06586	8.9
272.56799	11.1
274.01135	11.1
275.06131	3.9
277.07690	19.5
280.09052	5.3
285.04816	3.4
288.02789	4.0
295.08774	13.9
302.00778	10.7
305.06985	5.6
306.03812	4.1
307.08759	4.9
316.02316	23.9
316.06592	3.7
317.02060	7.1
320.01569	4.6
321.10443	4.7
334.03189	16.6
334.07684	6.5
335.03177	4.7
337.09656	3.6
344.01663	8.6
362.02823	8.2
371.13785	9.9
375.58994	6.1
376.08926	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	375.2742
Annotation	oscr#24
Peak:m/z	Relative Intensity
53.03943	3.4
55.01855	6.8
55.05510	12.7
57.03421	6.1
57.07066	3.9
61.02917	4.3
61.58527	1.8
67.05511	16.9
68.99789	2.1
69.03436	18.6
69.07058	11.0
69.85354	5.4
69.85767	3.6
71.04982	8.7
73.02911	2.0
79.05475	10.5
81.03410	6.2
81.07058	30.0
83.04987	4.5
83.08609	4.3
85.02907	58.6
85.06552	3.8
91.05498	11.1
93.07046	29.8
94.96973	1.8
95.04964	9.1
95.08603	26.4
97.02903	14.6
97.06513	7.6
97.10159	9.6
99.04463	3.6
99.08050	4.5
105.07033	13.9
107.08603	34.6
108.34343	2.0
109.02861	6.8
109.06543	4.6
109.10166	17.9
111.04429	5.5
111.08081	9.4
117.07018	4.2
119.08560	9.6
121.06438	3.2
121.10149	35.6
123.08082	4.6
123.11726	11.9
125.06012	16.2
125.09626	8.5
127.03928	11.0
127.11192	7.0
129.06989	2.7
131.08600	4.8
133.10120	16.1
135.08037	5.9
135.11736	9.6
137.05908	3.1
137.09540	3.4
139.03908	96.9
139.07501	3.6
139.11212	2.8
143.10663	4.5
145.10101	7.0
147.11676	6.3
149.09637	3.1
149.13272	17.4
151.11166	3.3
151.14780	2.3
153.01743	2.4
153.09056	2.8
155.10669	3.3
159.09235	2.2
159.11717	4.4
163.03975	4.1
167.07030	2.5
167.14326	8.3
171.11597	2.2
175.11110	2.4
175.14787	2.6
177.12732	8.1
177.16423	2.7
191.08170	4.0
195.13783	26.9
195.17401	2.5
197.15295	2.0
199.14967	2.3
213.14856	100.0
213.18268	4.2
239.55685	1.8
273.22040	3.6
283.13013	2.3
285.10156	2.4
303.23193	10.9
321.24237	8.2
339.25430	3.4
357.13348	5.3
376.11700	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	375.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
55.01865	5.1
55.05511	19.6
57.03446	10.0
57.07066	4.1
59.04989	3.4
61.02933	9.5
67.05502	6.4
69.03430	29.4
69.07067	37.4
70.97819	1.8
70.98169	1.9
71.04988	7.7
73.02912	2.9
79.05498	7.9
81.03413	10.0
81.07059	24.5
83.04986	10.6
83.08604	9.5
85.02903	74.5
85.06071	2.0
85.06542	20.7
87.04475	7.8
91.03954	5.2
91.05485	3.9
93.07027	11.3
95.08603	36.9
97.02887	24.3
97.06526	4.5
97.10153	11.2
99.04433	4.4
99.07487	2.1
99.08086	24.9
101.02359	2.2
105.07020	5.0
107.08596	21.4
109.02894	8.4
109.06547	1.7
109.10139	17.0
111.08085	3.9
111.11720	7.4
113.09632	9.8
115.00117	1.2
119.08560	1.5
121.06434	1.6
121.10143	31.2
123.11704	9.1
125.09651	8.1
125.13261	1.8
127.03925	17.5
127.11127	1.8
129.60161	1.4
135.11688	15.0
137.05945	1.7
137.09589	1.4
137.13251	19.8
138.13554	1.3
139.03897	6.2
139.11168	8.9
145.04965	12.6
147.04361	1.5
149.13263	4.8
151.14813	5.0
153.12759	12.8
156.04510	1.2
163.11038	1.2
177.16382	100.0
178.16655	1.3
187.63936	1.3
190.87283	1.2
195.17451	49.8
200.02835	1.3
213.05530	2.1
213.18492	73.7
231.26195	1.3
375.23816	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	375.238
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03929	1.9
55.01866	2.4
55.05518	6.8
57.03424	2.3
57.07065	1.5
61.02931	2.2
62.21112	1.3
67.05498	6.9
69.03435	6.4
69.07072	10.9
70.06568	2.1
71.04982	4.7
71.53674	2.5
72.08158	1.4
75.04422	1.7
79.05480	6.4
81.03451	3.2
81.07054	14.2
83.08622	7.8
84.04500	1.9
85.02900	11.1
85.06534	4.3
86.09698	4.9
88.30711	1.5
91.05474	5.2
93.07045	12.6
95.04958	1.7
95.08611	26.1
97.02882	4.1
97.06544	1.9
97.10154	5.2
98.97604	1.8
99.04458	2.6
99.08105	11.3
105.07043	3.9
107.04953	2.1
107.08610	26.5
109.06557	1.7
109.10178	10.5
109.71960	1.4
111.04440	2.1
111.08083	4.2
113.09651	1.6
119.08580	3.4
121.06496	1.6
121.10153	40.7
123.08070	1.8
123.11723	1.8
125.09615	5.3
127.03864	2.9
132.10220	1.4
133.10143	5.3
135.11705	8.7
137.05949	6.4
137.09572	3.5
137.13283	4.4
139.03912	2.9
139.11134	1.8
145.10188	1.4
147.04453	2.1
149.13277	4.4
151.03979	3.5
151.07587	2.5
153.01897	1.7
161.09630	2.4
162.02188	4.5
165.09108	4.1
167.07005	2.2
177.05684	1.8
177.09155	1.5
177.16403	100.0
195.13855	3.0
195.17473	20.6
201.11259	1.7
213.18491	18.8
243.08786	2.1
264.11935	1.4
329.11545	3.9
375.12714	4.1
375.16571	1.2
375.20117	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	375.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.8
55.01880	6.6
55.05500	19.9
57.03428	9.1
62.38227	4.4
62.83731	4.2
65.03947	5.8
67.05520	26.4
69.03426	8.2
69.07063	14.2
71.04973	6.0
71.53304	8.6
79.05492	39.5
81.07059	100.0
83.04972	11.3
83.08611	9.8
86.26360	4.1
91.05488	37.9
93.07059	47.1
95.04971	37.1
95.08614	49.0
97.06538	23.9
99.04447	10.0
99.08115	7.8
105.07037	59.3
107.08604	41.3
109.06519	14.7
109.10174	23.6
111.08035	11.5
117.07003	16.6
119.08591	57.8
121.06496	18.9
121.10155	25.0
123.08096	16.9
123.11700	11.3
128.06232	7.9
129.07013	12.9
131.08578	46.9
132.93790	4.8
133.10164	37.9
135.08025	22.3
135.11679	8.1
142.07750	12.8
143.08582	47.7
145.10124	51.5
147.08035	19.9
147.11694	26.2
147.43695	5.0
149.09625	6.1
149.13297	10.8
155.08585	13.7
156.09303	6.8
157.10126	44.2
159.11708	39.3
161.09602	14.8
161.13275	17.7
167.08641	6.5
169.10133	19.4
171.11653	23.7
173.09663	9.2
173.13280	18.8
175.11179	17.4
175.14812	5.5
179.08551	5.1
181.10126	12.5
183.11690	19.9
184.12402	4.7
185.09666	7.0
185.13258	29.8
187.11148	17.0
187.14891	7.7
189.12761	12.3
195.11732	8.1
197.13329	9.3
199.11081	6.1
199.14827	17.1
201.12769	15.7
201.16403	6.7
203.14294	10.1
209.13274	13.5
210.13831	4.8
211.14870	8.3
213.16266	6.4
223.14842	5.4
225.16449	14.6
227.14252	12.8
236.89644	4.7
239.17886	5.2
241.19554	12.8
243.17459	18.9
245.15343	6.6
255.21086	18.4
265.19479	10.2
272.40417	5.0
283.20544	40.9
301.21658	32.4
312.77704	4.8
315.19641	30.1
319.22699	27.1
333.20520	5.9
357.24359	7.6
375.21570	18.3
375.25601	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	375.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60936	0.2
53.03933	0.7
55.01860	0.7
61.02921	0.5
68.99772	0.5
69.03432	2.3
70.06577	0.3
71.01329	0.2
71.05000	0.4
71.19707	0.3
73.02901	0.4
81.03419	2.9
85.02906	4.2
85.43410	0.2
86.09703	0.3
87.00838	1.9
91.05476	0.6
97.02907	1.5
99.04455	0.7
105.01844	1.1
107.04901	0.3
109.02868	2.7
117.01851	0.4
119.04948	0.7
120.05245	0.4
127.03920	100.0
127.47432	0.2
128.04269	0.4
129.01859	0.3
129.99568	0.3
145.04932	1.2
147.04420	3.2
148.04784	2.3
157.09862	0.2
159.02913	1.5
163.03909	0.3
213.07535	0.2
231.05051	0.8
273.02679	0.2
307.01971	0.2
315.09558	0.3
329.11780	0.4
375.12704	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	375.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01863	0.6
55.05500	2.2
57.03423	1.6
58.09367	0.4
58.99552	0.5
61.02924	0.8
67.05505	4.1
69.03413	1.9
69.07072	3.5
70.22527	2.2
71.04981	2.1
74.40773	0.5
77.37505	0.5
79.05494	3.3
81.03415	1.5
81.07060	8.4
83.04972	1.8
83.08623	1.5
84.19450	0.5
85.02898	2.2
85.06543	0.9
86.09699	0.9
91.05474	2.8
91.31869	0.6
93.07052	4.3
95.04951	1.6
95.08603	5.2
97.02865	1.5
97.06549	1.0
99.04460	0.9
99.08072	1.7
105.07043	4.5
107.04956	1.2
107.08607	4.2
109.06509	1.1
109.10163	6.7
111.04430	0.8
111.08092	1.2
116.01653	1.4
117.07034	0.9
119.08595	2.8
121.10183	4.7
123.08105	0.7
123.11702	2.6
125.05975	0.6
125.09621	0.9
127.03899	0.7
129.06998	0.8
131.04956	0.8
131.08530	1.2
133.06483	0.5
133.10156	3.2
134.10484	1.2
135.11723	3.1
137.05969	1.6
137.09601	0.7
137.13235	0.5
139.03912	12.8
139.11229	0.9
145.10121	1.7
147.07924	0.6
147.11699	2.2
149.09543	0.9
149.13257	1.4
151.03934	4.4
151.11172	0.6
153.09093	0.7
157.10255	0.7
159.11665	1.2
161.09669	1.3
161.13277	0.9
162.02147	1.7
162.09915	1.0
163.03978	0.8
163.11108	0.8
173.13277	0.7
175.11322	0.6
177.09119	0.9
177.16475	1.1
180.44785	0.6
189.09073	1.2
190.09451	1.1
193.12384	0.8
195.10222	0.9
195.17491	0.8
201.16350	0.7
213.11191	1.9
213.14679	3.8
213.18513	1.1
221.09215	0.6
225.11177	0.8
231.02980	0.6
259.08551	0.8
259.11121	2.0
277.21738	0.7
278.63303	0.5
279.13477	1.3
285.22290	0.6
288.14124	1.6
303.23267	1.1
321.24213	1.6
335.67291	0.6
366.16174	0.6
375.00314	1.3
375.19916	100.0
376.20300	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.238
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.10271	1.3
53.15178	1.5
55.01872	2.3
55.05503	5.6
58.12423	1.5
60.28425	1.4
61.02953	1.5
67.05508	2.9
69.03434	3.7
69.07076	8.3
69.45513	10.0
71.04959	2.2
79.05486	3.8
81.07056	11.5
83.08617	6.1
85.02908	6.6
85.06543	1.9
91.05500	2.1
93.07049	11.3
95.08613	21.5
95.35371	1.2
97.02932	1.9
97.06547	1.6
97.10168	3.5
99.08102	10.3
105.07024	2.3
107.08594	25.8
109.10172	8.0
111.08090	5.5
111.11695	1.6
121.10152	41.2
125.05982	1.8
125.09645	5.5
127.03915	1.4
135.11696	7.7
137.13246	3.3
139.02960	1.3
139.03915	9.6
149.13264	3.7
151.03914	5.1
161.09601	1.4
177.16400	100.0
178.16606	2.0
195.13849	3.5
195.17494	18.0
211.13257	3.6
212.13670	2.5
213.13896	3.8
213.18509	33.4
213.20454	2.2
253.51021	1.6
303.23059	1.5
375.18762	2.1
375.23352	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	374.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	2.5
61.02930	1.3
61.86216	0.6
63.34099	0.7
65.03941	1.5
69.03423	1.7
71.02312	0.5
71.52393	1.3
81.03429	0.9
84.08134	0.6
84.96044	0.6
85.02892	2.8
87.04460	0.8
91.05483	11.6
92.05811	0.6
97.02886	1.5
98.97588	2.2
100.07609	1.7
101.00928	1.4
101.57689	0.6
109.02843	0.7
113.00874	0.7
114.05534	0.7
115.02402	0.7
116.07083	0.8
116.98641	0.7
119.01915	3.8
119.04954	23.8
127.03925	2.5
128.98599	0.9
131.01900	1.3
133.03476	1.2
134.99603	0.8
143.01854	0.9
144.99797	1.7
145.04958	1.0
147.04420	100.0
148.04761	1.5
158.99710	0.9
161.02986	0.9
173.03024	1.0
177.99725	0.7
187.00911	1.7
189.02449	0.9
191.02348	0.7
193.00148	0.7
204.07231	0.7
215.00482	1.6
229.01945	0.7
236.12042	0.6
236.14400	0.7
247.03067	1.4
315.02045	0.8
356.72296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01868	2.8
57.03426	2.5
61.02910	2.2
65.03935	1.9
68.99766	1.2
69.03428	15.2
69.19595	8.8
71.04981	2.2
73.02911	2.6
75.17206	1.0
81.03425	11.4
85.02911	46.0
87.00311	1.4
87.00838	19.0
89.17092	0.9
89.34387	0.8
91.05486	100.0
97.02895	15.3
99.04473	6.7
105.01874	31.0
105.02583	1.9
105.07032	2.3
108.04488	2.5
109.02891	14.5
117.01820	1.0
123.52745	0.9
127.03929	31.0
129.01895	1.6
129.07024	1.9
133.06496	1.3
137.05991	1.1
145.04976	15.6
145.06268	1.3
147.02896	1.8
149.05923	1.2
151.03925	3.2
157.06519	2.1
159.02876	7.4
171.08047	1.1
175.07605	1.9
189.03931	4.9
199.07481	1.5
213.03947	2.1
217.08699	1.2
231.04997	10.6
237.60329	0.9
248.07680	1.6
249.06029	3.9
302.32642	0.9
325.45740	1.2
374.14432	1.1
374.29190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
57.03425	2.9
61.02937	1.1
61.95864	0.9
64.00499	0.9
65.03925	2.1
69.03087	1.9
69.03429	22.9
70.06574	2.6
71.05000	2.8
71.54404	1.7
71.54799	1.6
81.03426	11.4
85.02906	19.5
86.09690	3.5
87.00824	13.3
87.04474	1.9
91.05484	100.0
97.02894	38.2
97.59826	1.0
99.04448	11.0
102.30386	1.0
105.01873	12.5
109.02870	4.8
109.06454	1.0
115.03884	1.9
119.04971	1.6
127.03924	39.9
135.08018	1.1
137.05952	1.7
142.30357	0.9
143.03438	1.6
145.02869	16.1
145.04958	28.0
147.04427	3.4
171.02887	1.1
176.31639	1.0
205.51440	0.9
231.05006	22.0
235.09578	2.2
249.06013	8.4
268.11652	0.9
271.05338	7.5
330.12613	7.5
356.15005	2.3
374.11707	2.8
374.18655	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2224
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
55.05515	7.0
57.03436	4.6
64.25529	1.4
66.06789	1.4
67.05508	6.9
69.07071	9.8
70.77846	1.4
70.97828	2.4
70.98161	1.5
71.04990	2.7
79.05500	8.3
81.03435	1.9
81.07061	21.1
82.95516	1.2
83.04959	1.7
83.08640	3.4
85.02905	5.6
85.06554	2.4
91.05489	6.2
93.07045	21.4
95.04948	1.8
95.08617	14.4
97.06520	3.4
99.08125	2.1
105.07049	18.1
107.08606	19.6
109.02871	1.5
109.06511	2.5
109.10167	13.0
111.08088	3.6
119.08593	28.3
121.10186	7.8
123.08083	6.2
123.11705	5.8
127.03924	1.5
133.10138	28.5
135.11708	21.3
137.05992	3.9
137.09633	6.0
147.11700	13.7
149.13261	45.7
159.11717	1.3
162.62958	1.5
163.14786	2.2
175.14836	64.0
183.02954	2.0
193.15898	100.0
211.16927	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	373.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21206	7.4
53.03942	9.9
53.91217	8.1
55.01880	8.6
55.05518	53.8
56.05059	7.2
61.02924	8.3
67.05500	42.3
69.03424	26.3
69.06779	7.5
69.07078	73.0
69.23302	7.4
71.04984	26.4
71.54909	8.8
79.05486	30.2
81.03413	20.1
81.07051	100.0
83.04977	24.0
83.08600	17.6
85.02896	34.4
85.06532	17.4
86.09693	10.1
87.04453	6.9
91.05475	41.3
93.07059	86.6
95.04964	26.4
95.08608	77.7
97.02905	11.5
97.06556	20.7
97.10175	65.4
98.09785	8.8
99.04443	14.7
99.08091	8.9
105.07033	51.5
105.52436	8.6
107.04933	10.3
107.08601	81.0
109.02880	13.4
109.06494	17.5
109.10155	55.7
111.11729	67.3
117.07024	10.7
119.08606	73.6
121.10152	72.5
123.08070	17.5
123.11703	36.3
125.09630	15.0
127.03929	16.5
127.11183	8.7
131.04933	8.5
131.08618	10.4
133.10146	50.6
135.04393	10.3
135.11699	60.5
137.05882	8.5
137.09605	18.5
139.03882	41.7
139.11136	20.3
143.10703	15.3
145.05038	8.1
145.10156	28.4
147.04378	8.7
147.11691	40.3
149.13199	15.6
151.03874	13.4
151.11122	8.9
153.12787	13.2
157.06554	8.4
159.11664	16.9
161.13278	12.3
163.03932	19.6
163.07648	11.0
163.11143	23.1
165.12720	15.1
167.07091	20.5
173.09604	8.1
175.14857	59.5
181.04962	8.4
181.12193	25.1
184.93678	8.1
193.12234	9.8
193.15913	36.1
196.96475	8.1
205.08545	26.0
211.16963	19.2
222.87735	8.6
275.20145	8.4
293.21097	12.2
295.81647	8.3
301.21591	33.1
313.11804	9.1
319.22617	18.6
337.23468	8.5
355.19040	16.6
373.13013	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	373.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01865	0.5
55.05491	0.2
57.03440	1.5
57.07078	0.8
59.05011	0.2
61.02933	1.5
61.65089	0.1
67.05496	0.2
68.99816	0.2
69.03432	4.4
69.07064	0.2
71.04980	0.5
71.08659	0.5
73.02904	0.9
79.05486	0.3
81.03422	1.7
81.07044	0.7
83.01317	0.2
83.04960	0.2
85.02911	8.6
85.06541	0.3
87.04491	0.8
88.21107	0.2
91.03970	0.3
91.05444	0.2
93.07047	0.2
95.08603	0.2
97.02897	3.4
99.04461	0.4
101.02344	0.3
107.08608	0.3
109.02893	1.1
109.06512	0.4
111.04424	0.6
121.06471	0.2
121.10113	0.2
123.04424	0.4
125.05975	0.4
125.09628	0.3
127.03921	1.7
127.07582	1.4
137.05992	0.7
138.06772	3.8
145.04964	0.9
151.07536	0.4
152.08377	0.2
153.09039	0.2
163.07535	0.4
164.08324	1.2
165.12788	1.2
167.10686	23.2
168.10988	0.2
175.14853	0.2
179.10677	1.4
181.08424	0.2
193.12245	9.1
194.12912	0.3
209.11758	0.2
211.13298	100.0
212.13646	1.6
221.11775	0.3
253.14363	0.3
329.16147	0.3
355.13660	0.4
373.18552	19.4
374.18954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2225
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
53.03933	0.9
55.01880	1.0
55.05516	8.4
57.07072	2.5
59.04992	2.1
61.02929	1.3
63.50342	0.7
65.03937	0.9
67.05508	16.3
69.03436	8.9
69.07076	12.2
71.05000	3.9
71.08647	0.8
71.23288	1.7
74.45890	0.7
77.03473	0.8
79.05508	3.8
81.03421	1.9
81.07062	20.0
83.05001	9.8
83.08639	7.4
85.02918	9.6
85.06556	5.4
87.08064	1.0
91.05472	3.7
93.07053	9.3
95.04956	2.0
95.08614	30.8
97.02904	2.4
97.06553	1.5
97.10149	1.1
99.04459	2.1
99.08102	5.6
105.07027	6.9
107.08607	23.2
109.06532	8.3
109.10167	95.9
111.08062	4.6
113.09617	1.4
119.08597	38.5
121.10168	12.7
123.08089	12.2
123.11713	9.2
125.09644	1.4
127.03927	2.0
130.42056	0.8
133.10152	22.3
135.11705	100.0
136.11932	0.9
137.09637	14.9
139.04001	0.8
139.11217	2.4
147.11710	1.8
149.13251	6.7
151.03940	0.9
151.11206	8.3
151.14845	9.6
153.12761	2.6
159.11687	1.0
163.14879	3.4
165.12866	0.9
165.16396	2.4
167.07051	2.3
173.13148	1.0
175.14835	44.8
193.08640	0.9
193.15900	60.1
194.16040	0.8
211.16956	67.2
223.09537	1.2
225.40536	0.8
227.16411	1.9
230.21939	0.8
231.10301	0.9
253.10753	1.3
277.10727	1.1
289.10593	1.7
373.14182	1.6
373.18207	3.2
373.22131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
53.63511	1.2
55.05515	4.7
57.03419	2.9
57.07052	2.2
58.69152	0.9
61.02919	2.2
67.05507	11.1
69.03433	8.7
69.07073	6.0
70.02489	2.3
70.02875	1.8
71.04973	1.2
73.02902	1.4
74.40776	0.9
79.05478	2.7
81.03419	3.8
81.07059	11.5
83.04980	3.6
83.08607	2.9
85.02909	26.6
85.06541	11.7
91.05483	3.6
93.07046	8.1
95.04960	1.7
95.08611	22.6
97.02881	5.8
97.06525	2.7
99.04452	2.0
99.08096	1.5
105.07004	5.1
107.08604	9.3
109.02857	2.8
109.06520	3.3
109.10162	31.2
111.08089	10.2
115.07552	1.9
119.08581	18.0
121.10162	8.8
123.08064	12.0
123.11689	4.1
125.09622	2.2
127.03892	5.2
133.10133	14.0
135.11703	17.9
137.09624	29.9
137.13229	1.5
138.10381	2.0
139.07526	1.2
139.11203	1.1
145.04942	3.8
145.10072	1.2
147.11665	4.4
149.13242	4.6
151.11157	2.4
151.14827	3.0
159.11696	1.5
163.14856	2.3
165.12744	3.1
165.16458	1.3
175.14832	24.3
179.14301	1.3
191.14258	1.7
193.15901	31.1
195.17439	3.2
211.16937	100.0
217.15952	1.1
253.17964	1.8
325.20239	1.8
373.22116	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	373.1493
Annotation	Multifidol glucoside
Peak:m/z	Relative Intensity
55.01871	1.9
55.05498	1.3
57.03432	4.1
57.07071	3.6
61.02935	4.9
65.03952	1.3
67.05512	8.8
68.99786	1.7
69.03440	6.7
69.47278	5.0
69.47699	2.4
71.05000	1.4
73.02917	1.5
79.05490	1.7
81.03416	3.1
81.07065	3.7
85.02910	25.4
85.06544	30.2
91.03944	1.1
91.05473	1.0
93.07042	2.0
95.08613	1.7
97.02896	8.5
98.21495	1.2
103.03947	1.8
105.07000	1.9
106.50087	1.1
107.05031	0.9
107.08590	1.7
109.02888	2.7
109.06534	8.9
109.10171	1.3
109.25362	0.8
119.08514	0.9
123.04427	10.7
123.08070	5.0
125.09658	1.7
127.03923	7.7
127.07559	10.0
129.07024	1.2
137.06030	2.2
137.09604	1.9
139.03906	2.5
145.04974	4.1
147.04410	6.4
147.08035	2.3
147.11798	0.9
149.06013	1.8
151.03918	3.4
151.07512	2.0
155.03409	2.6
161.06007	1.4
163.03981	1.9
163.07516	2.2
164.04724	1.3
165.05478	2.1
165.09126	6.6
169.08629	2.2
171.48912	0.8
175.07465	4.3
175.14900	1.4
177.05435	1.0
177.09050	1.1
189.05505	1.1
189.09120	4.7
191.07104	1.8
193.04938	1.1
193.08614	32.6
193.15891	3.1
201.09166	1.4
205.08641	9.1
211.09660	100.0
217.08565	9.0
223.09674	11.7
229.08543	3.4
231.06375	1.0
231.10191	2.3
235.09648	19.3
243.10185	1.4
247.09732	1.8
253.10712	13.1
259.07101	1.1
259.09659	3.8
271.09607	6.4
273.72559	1.1
277.10675	18.9
283.09650	3.9
289.10681	14.0
301.10703	7.7
307.11801	3.0
319.11725	5.7
328.08774	1.0
337.12827	6.9
355.13907	2.4
372.03595	1.0
388.49692	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1834
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
57.44949	0.3
64.16015	0.3
69.03394	0.4
69.55363	1.6
71.37304	0.3
77.78717	0.3
81.03410	0.3
81.07068	0.3
85.02888	0.4
86.09714	0.3
90.59823	0.3
91.05471	0.6
95.04964	0.6
95.08606	0.6
97.02898	0.4
98.21474	0.7
99.08127	0.3
105.07055	0.4
106.07320	0.3
107.04953	0.4
109.10109	0.3
121.10154	0.4
133.10162	0.5
135.11812	0.3
137.05975	1.0
137.09627	0.3
138.06293	0.7
147.04417	0.7
167.07042	0.5
180.07414	0.5
184.54616	0.3
201.05444	0.5
211.13133	0.7
253.50206	0.3
301.12637	0.4
317.45074	0.3
373.18344	100.0
374.18765	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
55.05498	0.4
55.54379	0.5
67.05505	0.6
69.07073	1.0
71.26926	0.9
81.07064	0.6
85.02924	0.7
91.05509	0.6
93.07053	0.6
95.04969	1.4
97.06512	0.6
103.05455	0.6
105.07047	0.6
107.04939	0.7
107.08587	1.2
107.49262	0.4
108.04486	5.8
109.10180	0.5
121.10203	0.6
122.06025	1.2
125.06016	0.5
130.70256	0.5
138.05498	1.3
140.07071	1.6
146.06017	2.3
148.07573	1.0
150.05550	0.6
163.07526	0.8
163.14890	0.5
166.04997	1.2
167.07063	0.4
168.06584	3.8
174.05548	1.5
175.14938	0.6
181.08891	0.5
182.08423	0.5
193.15974	0.5
195.10333	0.8
196.07581	0.5
196.09807	0.4
197.08496	0.5
197.10745	0.7
198.09303	0.8
199.08707	0.5
202.15915	0.6
204.06526	0.8
206.08154	0.9
210.07777	0.6
211.08698	8.9
211.12212	1.0
211.16957	1.9
212.09438	1.8
213.10292	1.8
220.17056	1.7
221.10779	1.5
222.09172	3.1
222.11122	0.6
223.08755	1.3
223.12347	0.7
224.09119	1.1
224.10852	2.0
225.10246	9.8
226.11021	1.3
237.10329	0.7
238.11006	0.6
239.08191	1.0
239.09276	0.7
239.11809	13.0
240.08917	1.3
240.12581	1.4
241.09708	2.4
241.13356	0.9
249.10320	1.0
250.08867	2.1
251.08180	2.3
251.11848	0.6
252.08743	3.0
253.09750	9.0
254.10588	1.2
257.12912	1.1
267.11301	16.9
268.09604	1.0
269.12863	1.3
281.09317	1.4
283.10638	0.6
284.11472	0.7
285.12354	1.4
294.08618	0.8
295.10828	8.7
296.09171	0.5
309.77243	0.5
313.11859	42.7
314.12195	0.9
323.10330	1.0
341.11243	6.8
355.13373	4.3
359.12408	0.5
373.14005	100.0
374.14252	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	373.1494
Annotation	Multifidol glucoside
Peak:m/z	Relative Intensity
55.05499	1.8
57.03423	1.6
57.07073	1.2
65.03938	0.8
66.83202	0.4
67.05510	11.9
68.99795	1.2
69.03412	1.9
69.07036	0.4
69.19414	5.0
70.06579	0.5
71.04977	1.6
79.05481	1.2
81.03402	1.4
81.07066	3.3
83.04983	0.9
85.02531	0.5
85.02909	6.0
85.06545	29.4
87.03232	0.5
91.03954	0.6
91.05456	1.1
93.07026	1.1
95.04995	0.6
95.08606	0.8
97.02882	0.9
98.21616	0.8
99.08080	0.9
105.07025	1.3
107.04922	1.1
107.08568	1.1
108.04486	0.6
109.06514	9.6
109.10131	0.7
119.04916	0.5
119.08592	1.1
121.06557	0.5
121.10149	0.9
123.04425	11.5
123.08049	3.9
125.09647	1.7
127.03931	3.4
127.07554	13.6
127.08476	0.8
137.05960	5.0
139.03909	3.3
145.05017	0.7
147.04408	0.7
147.08083	1.4
149.05989	1.5
151.03888	3.1
151.07558	3.0
153.05486	1.7
155.03413	3.2
164.04637	0.9
165.05437	1.2
165.09128	6.6
167.07039	1.5
169.08611	2.1
175.07526	2.9
191.90245	0.5
193.08614	37.7
194.08931	0.5
201.05490	1.1
205.08650	0.7
211.09660	100.0
212.09946	1.3
217.08588	0.6
235.09694	1.3
239.11812	0.6
267.11362	0.6
277.10669	1.0
280.86429	0.5
289.10843	0.8
294.08463	1.1
301.10745	0.6
313.11777	2.0
317.06619	1.9
319.11771	1.0
355.13895	2.6
373.06784	0.5
373.14056	5.4
373.18457	3.1
391.03339	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86998	3.2
53.03937	4.5
55.01868	8.4
55.05519	20.4
57.03432	4.9
59.04994	3.3
59.52580	2.9
61.02932	4.6
67.05494	10.2
69.03429	26.6
69.07063	7.0
69.38343	3.1
69.43042	13.5
69.43462	10.8
71.04983	6.9
75.08755	3.1
79.05518	7.6
81.03418	15.7
81.07052	17.1
83.04991	37.1
83.08641	20.0
85.02911	42.9
91.05483	7.2
93.07039	14.2
95.04982	77.5
95.08607	12.4
97.02911	18.8
97.06516	7.5
98.21542	7.6
99.04453	19.8
103.03960	4.3
105.07033	15.4
107.04974	5.7
107.08604	24.6
109.02864	10.6
109.06521	7.4
109.10188	21.1
111.08098	6.6
119.08585	8.1
121.06477	8.1
121.10139	15.8
123.04452	8.1
123.08044	6.8
123.11676	3.5
123.80892	3.5
125.06010	5.7
125.09637	6.7
127.03894	8.2
127.11289	4.4
131.08556	7.1
133.10143	94.1
135.08032	10.2
137.05992	6.9
137.09628	47.1
139.03853	5.3
139.11163	14.6
145.04982	8.3
147.04381	3.4
147.11694	7.0
149.13271	11.6
151.03943	4.9
151.11218	15.5
153.09117	25.2
163.11169	3.6
165.21280	3.5
167.07050	9.9
167.14301	15.4
169.12282	5.5
173.13287	19.4
181.12279	18.7
185.08139	4.1
187.07475	6.6
189.12570	3.5
191.14313	52.2
209.15384	100.0
219.10132	8.3
234.06804	4.7
249.09120	4.3
253.73169	3.0
261.09161	4.4
277.08658	8.2
293.11728	4.4
309.11029	4.1
321.11340	3.7
332.35645	3.4
335.18564	5.3
339.12167	16.4
353.13684	4.8
371.14743	39.9
371.20334	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1445
Annotation	Carpoxidine
Peak:m/z	Relative Intensity
50.19117	0.7
55.01865	1.2
55.05511	1.1
57.03445	1.2
57.07075	0.8
58.06599	4.7
65.03947	1.5
67.05510	4.7
68.05025	2.0
68.99786	5.1
69.03422	3.9
69.07066	2.1
70.06574	2.1
70.12749	3.0
71.05003	1.0
72.57030	0.8
73.02917	1.1
74.06070	3.5
79.05491	2.4
81.03425	5.7
81.07040	1.7
82.06570	2.7
83.04989	1.2
83.07360	1.8
84.50243	0.8
84.65351	0.8
85.02914	5.2
86.09702	4.0
87.04452	0.9
91.05483	3.3
93.03412	7.0
93.07038	2.0
94.06561	1.1
95.08605	1.0
97.02866	2.5
97.06520	1.3
99.04475	0.8
100.07613	1.2
101.02457	0.8
102.28852	0.7
105.07057	1.7
107.04958	4.0
107.08616	1.1
109.02903	1.5
109.06485	1.5
109.10195	0.8
117.06956	0.8
119.04917	5.1
119.08575	0.8
120.08086	1.4
121.02876	2.1
121.06541	1.5
121.10142	1.5
123.04446	1.8
124.07604	5.6
127.03918	1.3
129.17657	0.9
131.08606	1.4
133.02916	1.0
133.10129	1.6
134.10544	1.3
135.04402	5.5
137.05983	1.4
138.06758	1.7
144.06477	0.9
146.06059	0.9
147.04417	18.0
148.04793	1.0
149.02342	2.2
149.05959	1.3
151.03903	3.2
152.04259	1.8
153.01849	1.2
159.04462	1.1
159.08127	1.8
161.02350	4.4
164.07066	1.9
165.01831	7.7
165.05505	0.8
165.12717	1.2
166.08609	1.1
167.03406	1.2
167.10675	12.9
169.32378	0.9
174.13597	1.3
175.03918	10.3
176.08649	0.8
177.01836	26.7
177.05460	2.0
179.03423	12.8
183.02934	2.2
191.03395	1.5
191.14352	0.9
192.06566	1.7
192.14600	1.2
193.12238	4.8
195.02910	11.1
203.03416	26.2
205.04926	4.3
208.09695	0.8
211.13300	47.1
216.06589	6.3
217.04909	1.8
219.10249	1.5
220.10506	2.3
221.02391	0.5
221.04443	17.0
234.07622	53.0
235.07904	1.4
252.08658	6.6
292.07681	0.8
293.08170	1.8
297.07501	2.3
318.11035	1.0
323.09204	5.3
336.12183	1.2
354.13376	100.0
355.13589	2.1
357.27243	0.9
372.14426	66.6
373.14557	1.9
373.18567	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	371.2066
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03942	5.7
55.05514	26.9
57.03436	3.5
57.07087	20.3
59.04985	5.3
60.59735	3.0
61.02916	3.6
65.03952	3.4
67.05492	13.4
69.03437	24.6
69.07072	30.3
69.79784	5.4
69.80197	12.6
70.36479	3.3
71.04988	6.7
79.05499	19.5
81.03405	14.2
81.07057	82.7
83.04988	31.1
83.08618	61.2
85.02914	30.3
85.06533	11.1
91.05477	12.3
93.07059	34.8
95.04965	15.7
95.08620	19.6
96.99008	3.1
97.02895	13.5
97.06521	10.9
99.04431	6.7
105.07040	23.6
107.08587	45.0
109.02880	10.5
109.06524	64.7
109.10160	44.8
111.04450	3.2
111.08083	14.3
117.07034	4.2
119.08598	12.1
121.06536	4.2
121.10165	36.3
123.08070	9.0
123.11727	26.0
125.09635	3.5
125.13280	10.2
127.03925	21.5
127.07526	4.9
128.97221	3.3
131.08554	12.9
133.10130	59.1
135.08028	18.0
135.11682	6.2
137.05934	4.5
137.09592	5.6
145.04974	5.1
145.10091	4.1
147.11720	6.2
149.09639	28.0
149.13255	55.4
151.11206	12.8
153.09116	10.4
158.10959	5.3
163.14839	12.6
165.12810	4.8
167.14308	61.8
169.12212	4.9
171.10167	10.2
173.13272	37.3
177.05495	6.9
191.14310	71.9
209.15378	73.1
227.16508	5.3
335.18652	4.0
342.79404	3.5
353.19476	7.2
357.76483	3.7
371.16791	100.0
371.20651	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.2
55.05516	14.1
57.03447	4.6
57.07072	3.5
60.10635	2.5
61.02920	4.7
65.03951	3.0
67.05491	7.8
67.77560	2.3
69.03442	20.7
69.07079	21.6
69.99285	7.8
71.05010	5.9
79.05491	18.8
81.03414	8.9
81.07070	34.8
83.04983	23.4
83.08630	20.6
85.02914	24.7
85.06536	8.1
89.36799	2.9
91.05492	13.1
93.07048	19.4
95.04984	17.4
95.08607	12.6
97.02877	5.8
97.06522	5.2
99.04470	4.7
105.07037	17.0
107.04934	16.4
107.08597	40.7
109.02914	5.2
109.06535	26.7
109.10152	20.8
111.04459	4.7
111.08058	7.9
117.07024	4.4
119.04925	2.7
119.08571	11.8
121.06532	6.1
121.10158	29.2
123.04403	3.7
123.08049	7.6
123.11682	12.6
125.09644	5.1
125.13274	3.8
125.58110	3.1
127.03934	8.3
127.07554	4.0
129.05464	4.2
129.06970	3.4
131.08582	10.5
133.06480	2.9
133.10136	81.4
135.08064	16.9
135.11658	7.4
137.05989	10.6
137.09619	30.6
139.07570	2.7
139.11125	3.4
145.10126	4.5
147.08049	4.2
147.11688	9.3
149.09634	6.5
149.13271	31.3
151.11189	9.2
153.09093	11.0
159.08041	4.3
161.09692	7.4
163.07639	3.9
163.14824	10.9
165.09143	3.1
167.07066	28.1
167.14287	23.2
173.13290	21.9
175.07579	4.0
187.07567	7.8
191.14294	59.7
191.15865	4.7
195.10168	11.7
199.07625	3.6
209.08034	3.6
209.15376	49.5
227.16219	2.9
263.07224	3.5
281.11789	4.6
309.11371	5.6
341.13748	4.3
353.19678	6.0
354.19180	3.8
371.11996	5.4
371.16751	100.0
371.20663	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	371.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
54.70995	1.4
55.05508	4.0
57.03409	1.7
60.92527	1.2
65.03935	1.6
65.45390	1.4
67.05486	4.9
69.03442	7.0
69.07051	2.4
71.04993	3.6
71.54207	2.0
73.02853	1.4
76.43778	1.5
79.05459	5.9
81.07065	8.9
83.04963	1.6
85.02921	8.5
85.06524	3.2
89.06022	1.5
91.05466	10.5
93.07050	6.7
95.04952	4.3
95.08574	6.3
97.02870	2.8
97.06500	2.3
99.04434	1.7
101.06013	3.4
103.05460	2.2
105.07043	12.1
107.04900	1.5
107.08601	16.2
109.02850	1.6
109.06530	20.8
109.10165	7.7
111.08069	1.9
115.05436	1.8
117.06979	1.7
119.04882	2.9
119.08549	6.3
121.06470	3.1
121.10152	10.5
122.07275	2.6
123.04447	10.7
123.08030	5.0
127.03867	1.9
129.05418	1.8
131.08589	11.7
133.06477	2.1
133.10149	100.0
135.08060	12.6
135.11646	2.3
137.05969	2.8
137.09637	34.7
139.03917	2.4
143.08566	2.0
145.10135	3.5
147.04453	6.8
147.11615	3.8
149.05942	1.6
149.09563	2.7
149.13254	9.8
151.03937	17.1
151.60811	1.4
153.09055	2.3
158.10866	3.2
163.14848	3.0
165.05421	3.8
171.11758	1.4
173.13274	20.2
175.07501	1.4
177.05447	1.9
189.96581	1.7
191.12720	2.7
191.14337	47.3
195.02826	1.7
209.15349	15.2
217.08708	2.2
219.10133	13.5
303.08585	1.6
327.14114	8.2
353.13660	1.9
371.13043	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03940	4.8
55.01880	3.8
55.05515	20.9
57.03427	9.3
57.07060	9.9
59.05021	5.5
61.02905	7.7
66.58461	3.3
67.05499	18.2
69.03429	52.9
69.07069	21.6
69.90689	17.9
71.04979	7.8
73.02901	5.5
79.05478	12.6
81.03431	22.1
81.07060	62.5
83.01340	4.5
83.04990	36.5
83.08221	3.8
83.08624	44.1
85.02909	100.0
85.06536	9.0
86.03239	8.3
87.04469	11.5
91.05447	7.9
93.07052	35.3
95.04957	34.6
95.08605	12.2
97.02895	33.4
97.06530	13.2
99.04449	17.7
100.07595	5.8
101.07996	3.3
103.03976	5.5
105.07036	16.2
107.08595	45.4
109.02908	42.7
109.06522	52.3
109.10160	43.0
111.08114	20.0
113.05955	3.7
113.09699	3.7
115.03950	30.1
116.04259	13.7
117.06975	4.8
119.08559	13.2
121.10134	62.1
123.08067	8.3
123.11700	24.4
125.09634	9.5
125.13229	4.3
127.03921	71.6
128.04263	5.3
129.05490	4.8
131.08563	10.9
133.04951	12.9
133.10147	35.9
134.05315	6.6
135.08028	12.3
135.11671	12.4
139.03957	4.3
139.11145	8.9
145.04979	21.3
146.05270	5.9
147.04427	4.4
149.13257	43.2
151.11227	17.8
153.09074	9.9
163.14825	9.7
167.07072	3.4
167.14325	56.9
169.04921	3.9
169.12247	8.6
173.13271	20.7
181.12201	6.9
185.07971	4.1
187.06017	12.5
191.14330	45.8
205.07091	23.7
209.11694	3.9
209.15370	74.9
278.09631	11.4
353.19397	7.6
371.16452	37.8
371.21289	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03960	1.8
53.51572	1.1
55.05522	2.4
57.03453	1.3
57.07076	3.4
67.05502	4.1
69.03436	55.7
69.07081	3.7
69.49754	7.7
71.04990	2.9
79.05497	5.2
81.03416	1.9
81.07056	8.7
83.04995	4.7
83.08597	2.9
85.02912	8.6
85.06553	2.1
89.48195	1.2
91.05468	2.8
93.07059	5.4
95.04941	1.5
95.08619	9.9
97.02889	2.1
97.06536	4.7
98.97598	4.1
101.46740	1.0
105.07034	5.4
107.04929	2.2
107.08607	17.1
109.06530	6.5
109.10160	3.5
111.08083	3.8
111.89292	1.1
113.58423	1.1
119.08601	4.1
121.06483	1.6
121.10165	12.3
123.08057	3.0
123.11694	5.9
125.09636	23.0
127.03954	1.4
131.08585	4.7
133.10146	5.3
135.08095	14.2
135.11702	4.2
139.03908	2.3
141.04414	1.3
145.10179	3.7
147.04362	1.2
147.11682	2.5
149.09637	9.5
149.13293	3.7
149.79120	1.3
151.03929	3.3
151.11266	1.8
153.09094	8.6
158.10950	6.1
161.09607	2.1
163.11182	4.0
163.14822	6.1
163.73613	1.3
165.12785	3.3
167.06998	1.7
173.13272	23.9
174.13597	1.4
176.12007	1.3
191.14326	81.7
192.14694	1.4
209.15381	100.0
210.15651	1.3
214.08652	1.2
219.10223	1.8
220.32811	1.1
229.60150	1.0
264.04199	1.2
274.94693	1.5
290.14685	2.3
352.21100	1.3
371.14301	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
51.13429	1.6
53.03947	4.5
55.01864	4.3
55.05511	6.1
57.03429	5.7
57.07061	2.4
61.02935	7.9
67.05494	7.3
69.03436	24.2
69.07079	10.0
69.81120	3.8
69.81534	6.0
71.04980	5.6
73.02887	3.6
79.05482	5.3
81.03433	8.7
81.07065	16.7
83.08627	2.8
85.02914	59.2
85.06534	2.5
87.04475	3.9
91.03949	4.5
91.05461	12.0
93.07047	9.8
95.04979	15.1
95.08614	12.3
97.02901	23.2
97.06544	8.3
97.48372	1.6
99.04443	4.8
105.04535	1.7
105.07043	13.2
107.04941	2.7
107.08622	13.1
109.02917	7.9
109.06525	28.9
109.10154	7.7
111.04418	2.1
111.08143	1.7
115.03962	1.7
119.04935	7.1
119.08587	9.1
121.06479	4.8
121.10127	6.8
122.07272	2.5
123.04441	29.6
123.08078	18.5
123.11690	3.1
127.03907	15.4
129.05461	3.0
131.08574	14.2
133.10143	45.9
135.08072	27.6
135.11722	3.5
137.09683	1.7
139.03883	5.6
140.04153	1.7
143.08604	1.7
145.04968	25.5
145.10101	4.7
147.04422	16.5
147.11729	9.6
149.06004	2.2
149.09622	4.2
149.13252	3.3
151.03918	26.8
153.09129	1.5
157.10120	2.1
158.10941	2.7
160.07336	1.5
163.03951	3.7
163.06027	1.9
163.14821	2.5
165.05592	11.3
165.12762	39.2
167.07034	1.7
171.11888	1.6
173.11928	2.8
173.13278	22.6
175.11241	3.0
175.14850	1.6
175.55270	1.6
176.11621	3.8
177.05511	2.5
177.09039	2.0
183.02975	2.1
191.14319	100.0
193.15891	5.9
207.06439	2.1
207.13742	2.3
209.15378	23.3
219.10168	23.8
249.11070	2.1
268.13568	3.4
289.08350	1.5
303.08591	5.6
309.16876	1.7
312.10681	1.5
356.17783	2.8
371.14941	6.1
371.20691	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2068
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
51.34948	0.9
53.03946	2.1
55.01869	1.2
55.05512	2.4
57.03427	3.0
57.07064	2.3
65.03939	1.0
65.90567	0.8
67.05503	2.8
69.03434	23.5
69.07072	4.2
71.01334	1.1
71.05015	3.0
73.02914	1.3
79.05491	3.1
81.03411	4.5
81.07065	6.2
83.04991	8.3
83.08616	1.8
85.02918	10.2
85.06542	2.9
91.05484	3.5
93.07051	6.4
95.04984	12.8
95.08623	9.8
97.02901	3.9
97.06508	1.9
99.04482	4.3
99.08096	1.3
101.02422	1.5
105.07056	5.9
107.04942	1.6
107.07900	0.8
107.08604	15.6
109.02888	1.6
109.06519	9.4
109.10170	3.4
111.08102	7.8
115.05363	1.2
117.07052	1.2
119.08590	3.9
121.06496	3.2
121.10142	11.1
123.08066	3.9
123.11724	3.4
125.09637	20.3
127.03925	4.2
131.08549	7.0
133.06535	1.1
133.10158	8.1
135.08073	20.0
135.11710	5.7
137.05988	3.5
137.09598	1.4
142.17984	0.8
143.08549	1.5
145.10136	4.6
147.11667	6.7
149.09645	15.2
149.13258	5.8
150.10378	2.3
150.93040	0.8
151.03926	1.3
151.11182	3.4
153.01866	1.4
153.09106	11.3
158.10898	5.9
159.08092	1.4
161.09666	1.7
163.11160	5.1
163.14844	6.6
165.09096	1.4
165.12749	2.5
167.07065	3.1
173.13281	22.7
175.07617	1.0
176.12018	2.4
187.07578	1.9
191.14325	100.0
192.14688	2.1
195.02991	1.0
197.49260	0.8
203.08369	1.0
209.08177	4.7
209.11821	5.7
209.15387	94.7
217.08644	3.1
218.07112	1.3
219.10153	1.8
221.08067	1.4
241.08719	0.9
251.09177	1.0
277.08450	1.3
285.07526	2.5
300.09918	1.9
326.11649	1.2
341.13550	1.3
353.14081	1.2
353.19553	3.7
364.59930	0.9
371.16016	3.2
371.20688	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42493	1.8
53.03946	2.8
55.01867	3.8
55.05508	8.1
57.07074	3.5
57.81704	1.7
67.05511	9.3
68.99804	3.9
69.03434	11.9
69.07061	6.4
69.77192	3.6
69.77603	7.0
71.04994	4.5
76.87496	1.8
77.03936	2.1
79.05488	12.8
81.03414	8.2
81.07059	28.2
83.04986	5.9
83.08624	2.3
85.02906	21.3
85.06539	6.2
86.09719	4.5
91.05451	12.9
93.07056	13.6
95.04985	13.0
95.08624	14.3
97.02890	9.0
97.06524	3.5
97.10185	2.9
98.20882	2.7
98.97617	3.4
99.04475	2.2
100.20460	1.7
105.07033	13.9
107.04919	5.9
107.08606	12.0
109.02884	6.4
109.06528	19.7
109.10179	10.2
111.08073	3.0
115.05444	2.2
117.07026	2.9
119.04939	14.5
119.08591	11.4
120.03999	1.8
121.06493	5.6
121.10162	13.0
123.04433	80.2
123.05347	4.0
123.08060	9.7
123.11700	2.8
125.09603	4.0
127.03915	5.4
129.07027	3.3
131.08572	8.4
133.06497	9.5
133.10141	40.1
134.06815	3.4
135.04382	2.5
135.08049	9.3
137.05980	6.3
137.09612	11.0
139.03917	6.2
143.08647	2.1
145.05006	2.5
145.10118	5.9
147.04414	53.6
147.11668	5.0
149.05984	4.0
149.09633	6.8
149.13252	4.7
151.03912	100.0
151.11162	8.9
153.09093	2.8
159.08098	2.9
161.05980	4.5
161.13293	2.0
163.03896	5.1
163.11183	3.1
163.14906	2.9
165.05492	35.5
165.09134	4.2
165.12764	15.9
167.07018	6.0
167.10724	3.7
173.13287	16.0
177.05421	10.2
177.09103	3.6
187.07396	2.5
189.12666	3.7
191.10681	2.8
191.14326	30.8
192.14651	2.8
203.10646	2.6
207.06538	3.2
207.10089	2.3
207.13869	2.5
208.14224	2.7
209.08163	10.9
209.15388	55.1
217.08702	3.7
219.10178	83.7
221.08147	2.0
231.10310	2.6
249.11229	2.7
285.07645	3.7
299.20007	2.4
300.09848	2.3
302.84412	2.1
303.08673	15.9
321.10916	2.6
335.22052	2.2
353.13898	5.1
371.14737	20.5
372.15173	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.01873	3.8
55.05503	1.4
57.03424	1.4
57.07058	1.2
61.02950	2.1
61.25253	0.9
67.05508	1.5
69.03440	6.2
69.07068	17.8
69.48891	2.4
69.49300	3.6
71.04980	1.4
72.08156	1.1
73.02923	1.1
79.05486	3.5
81.03427	2.3
81.07056	5.0
83.04977	2.6
85.02913	10.4
85.03393	1.6
91.05472	5.0
93.07050	12.3
95.04950	1.9
95.08624	4.4
97.02901	4.2
97.06528	1.8
98.20745	1.1
99.04444	1.3
105.07027	5.3
107.04966	1.6
107.08607	11.3
109.02914	1.3
109.06474	1.6
109.10159	2.1
111.08067	1.1
115.03928	1.2
119.08572	4.3
121.06511	13.7
121.10146	10.1
123.04456	4.7
123.08077	2.1
127.03923	2.5
129.07080	1.1
131.08549	5.0
133.10158	6.9
135.08055	7.8
135.11696	3.7
137.05891	0.9
139.03983	0.9
143.08522	1.1
145.10143	3.2
147.04419	3.1
147.11688	33.1
149.09619	4.4
149.13274	6.1
151.03911	6.3
158.10912	2.0
161.09656	4.4
163.03746	0.9
163.11140	1.4
163.14835	2.0
165.05527	1.3
167.07112	1.0
173.06026	1.0
173.13246	7.4
175.07515	1.0
176.11977	1.4
188.56207	0.9
191.14313	100.0
192.14732	1.5
195.02953	1.1
203.05208	2.1
209.15376	3.1
219.08206	1.1
219.10201	5.9
249.09140	1.2
339.12292	4.0
348.02588	1.5
353.13263	1.1
371.15366	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.01873	3.8
55.05503	1.4
57.03424	1.4
57.07058	1.2
61.02950	2.1
61.25253	0.9
67.05508	1.5
69.03440	6.2
69.07068	17.8
69.48891	2.4
69.49300	3.6
71.04980	1.4
72.08156	1.1
73.02923	1.1
79.05486	3.5
81.03427	2.3
81.07056	5.0
83.04977	2.6
85.02913	10.4
85.03393	1.6
91.05472	5.0
93.07050	12.3
95.04950	1.9
95.08624	4.4
97.02901	4.2
97.06528	1.8
98.20745	1.1
99.04444	1.3
105.07027	5.3
107.04966	1.6
107.08607	11.3
109.02914	1.3
109.06474	1.6
109.10159	2.1
111.08067	1.1
115.03928	1.2
119.08572	4.3
121.06511	13.7
121.10146	10.1
123.04456	4.7
123.08077	2.1
127.03923	2.5
129.07080	1.1
131.08549	5.0
133.10158	6.9
135.08055	7.8
135.11696	3.7
137.05891	0.9
139.03983	0.9
143.08522	1.1
145.10143	3.2
147.04419	3.1
147.11688	33.1
149.09619	4.4
149.13274	6.1
151.03911	6.3
158.10912	2.0
161.09656	4.4
163.03746	0.9
163.11140	1.4
163.14835	2.0
165.05527	1.3
167.07112	1.0
173.06026	1.0
173.13246	7.4
175.07515	1.0
176.11977	1.4
188.56207	0.9
191.14313	100.0
192.14732	1.5
195.02953	1.1
203.05208	2.1
209.15376	3.1
219.08206	1.1
219.10201	5.9
249.09140	1.2
339.12292	4.0
348.02588	1.5
353.13263	1.1
371.15366	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01874	3.7
55.05508	5.6
57.03434	2.7
57.07074	5.2
61.02937	2.1
66.01582	1.5
67.05505	4.3
68.52500	1.6
69.03436	23.0
69.07063	4.5
69.17593	8.3
69.18010	8.5
71.05004	3.0
77.03944	2.1
79.05506	13.0
81.03416	2.7
81.07056	7.0
83.05002	8.3
85.02916	25.3
85.06551	1.9
87.04473	2.6
89.03908	2.2
91.03965	1.9
91.05466	8.7
93.07056	7.3
93.81210	2.1
95.04982	5.4
95.08616	5.0
97.02904	8.8
97.06528	2.6
99.04457	3.6
103.05462	4.5
105.07043	16.5
107.04945	2.2
107.08624	13.1
109.02886	3.5
109.06526	5.5
109.10147	5.0
109.28403	1.5
115.07591	1.8
117.03407	2.3
117.07025	2.5
119.08619	11.2
121.06532	15.6
121.10149	9.6
123.08099	9.2
125.09654	1.8
127.03909	4.7
131.08571	6.5
133.06505	100.0
133.10124	10.5
135.08064	8.7
135.11665	3.3
137.06001	2.6
137.09627	5.2
143.08580	2.2
145.02879	8.2
145.04958	4.6
145.10127	3.8
147.04419	1.9
147.08092	5.0
147.11702	7.5
149.06029	2.2
149.09633	14.6
151.07448	1.8
151.11198	18.3
154.09386	2.2
156.09465	1.9
159.08109	4.4
161.09647	5.3
161.13257	3.4
163.11191	19.8
163.14781	1.6
165.12794	2.1
167.07185	1.9
169.06287	5.9
171.10210	2.3
171.11685	4.1
172.10503	3.4
173.13281	5.8
174.10406	10.5
177.05507	14.2
189.11298	2.6
189.12759	61.6
191.14322	60.2
207.13823	67.2
250.08842	9.2
250.58932	2.6
369.15256	11.4
369.19196	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	370.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.4
55.01841	1.7
57.03423	5.0
57.07073	2.4
61.02905	5.5
69.03436	23.0
69.07053	1.7
70.47855	3.3
70.48204	1.9
71.04980	6.4
73.02908	6.5
80.75397	1.6
81.03404	11.8
82.06597	6.9
83.04961	2.2
85.02910	67.2
87.00806	2.7
87.04467	22.4
91.03938	3.5
95.05000	1.6
96.57767	1.5
97.02906	17.0
97.06532	6.0
99.04452	5.6
100.07619	16.9
103.03915	1.5
105.07070	1.6
109.02892	12.5
109.06513	2.6
115.03935	100.0
117.03393	1.9
118.03706	2.5
127.03925	33.6
133.04022	2.9
133.04974	39.8
145.02840	6.4
145.04967	36.4
145.08601	2.8
146.03185	5.8
163.06049	9.3
175.05995	1.8
177.05458	11.9
178.05801	15.3
189.12813	1.6
190.13197	1.9
207.13860	1.9
208.14146	4.1
210.36230	1.5
250.10706	1.7
259.08133	10.3
277.09204	29.6
317.12402	1.8
370.18674	9.0
371.16733	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	370.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.9
55.48586	0.9
57.01998	0.8
57.03456	1.4
57.07076	15.7
59.05007	100.0
61.02929	1.2
69.03428	2.3
70.63854	1.6
70.64185	2.0
76.92621	0.9
81.07083	0.9
85.02917	10.1
91.05490	2.7
93.07076	1.1
95.04974	1.2
97.02903	1.7
97.06527	2.5
109.02901	1.2
115.11217	29.2
117.09158	1.5
123.04433	0.9
127.03925	1.6
137.02455	0.8
137.06093	1.7
139.03793	1.4
147.11679	0.9
163.03931	2.9
164.04277	1.7
167.07088	1.1
173.15361	5.8
191.16443	45.6
199.09619	1.1
201.09126	1.3
208.07883	1.6
211.01915	0.9
219.10226	1.6
220.10561	2.4
236.55368	0.9
306.77444	1.0
341.50391	0.9
371.01007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.0
55.01871	1.3
55.05510	1.3
55.28020	0.6
57.03437	2.2
57.65432	0.6
61.02928	2.2
65.82142	0.6
67.05517	1.1
69.03436	100.0
69.07072	2.6
70.66114	1.7
71.01366	0.6
71.04983	1.6
73.02921	1.6
74.68967	0.7
76.13274	0.6
79.05494	1.9
81.03428	3.6
81.07073	3.8
83.04971	1.0
85.02912	17.2
89.75845	0.5
91.05510	3.7
93.07050	7.5
95.08626	3.1
97.02883	3.8
97.06520	0.8
98.21488	0.7
99.04467	2.3
101.02400	0.7
105.07037	11.8
107.08605	5.4
109.02901	3.2
109.06493	1.0
109.10145	1.1
111.08086	0.8
119.08598	14.7
120.08095	0.9
121.06571	1.3
121.10160	12.6
123.08083	1.9
123.11705	0.7
127.03934	8.0
131.03435	0.9
131.08568	2.1
133.10135	8.0
135.04413	0.6
135.08073	1.3
135.11697	0.8
137.09613	0.9
139.03923	2.6
143.08569	1.5
143.23682	0.6
145.04964	1.6
145.10088	2.8
146.10855	0.7
147.08072	2.3
147.11708	6.4
149.09618	1.3
151.07535	1.0
156.09372	1.0
159.08029	1.1
159.11665	1.5
161.09628	2.1
161.13269	35.2
163.11192	3.1
163.14857	1.1
165.09122	1.0
165.12772	3.1
171.11707	1.5
173.04515	2.9
174.10408	2.0
177.12758	0.8
179.14333	5.3
189.12764	20.5
191.14317	0.9
201.09085	1.1
207.13820	84.4
208.14142	1.7
219.10178	1.0
268.54214	0.7
290.66803	0.6
336.85056	0.7
351.17984	1.4
354.03238	0.7
369.14752	1.0
369.19104	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	369.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01872	1.6
55.05506	2.3
57.03441	1.5
65.03944	1.4
65.79050	0.7
67.01868	1.6
67.05505	6.0
68.99780	2.4
69.03421	2.4
69.07060	5.9
69.30168	4.6
69.30596	2.0
70.79451	0.7
71.04999	1.0
79.05495	6.7
81.03437	0.8
81.07063	8.7
83.04963	1.4
83.08643	1.7
85.02898	1.6
85.06494	0.7
91.05470	3.7
93.07042	6.4
95.04985	2.5
95.08619	4.4
97.02884	1.2
97.05920	1.3
97.06537	19.1
97.10188	1.4
99.08083	1.0
103.05460	0.8
105.07024	4.7
107.04970	1.0
107.08601	3.8
109.06493	1.4
109.10148	3.5
111.00784	1.3
111.04443	2.1
115.05462	1.1
116.01649	1.1
117.07003	4.6
119.08613	3.6
121.06548	1.4
121.10139	2.8
123.04430	12.5
123.08076	0.8
123.11722	4.2
127.03923	10.5
128.06302	1.1
129.07004	1.3
131.08548	2.6
133.06491	0.8
133.10124	2.4
135.04466	1.2
135.11697	2.2
139.03897	8.0
140.05229	1.0
141.06934	1.1
143.08617	1.1
145.06557	1.2
145.10164	3.9
147.04398	1.1
147.08066	1.4
147.11702	2.4
149.05995	0.8
149.13278	3.0
151.11215	0.9
153.01836	49.0
153.05424	2.8
153.06956	3.9
154.07808	2.0
155.03418	4.1
155.08566	15.7
159.11688	2.0
160.05203	1.1
161.05952	0.7
161.09639	2.3
163.03918	17.5
163.11127	3.9
165.05568	1.0
165.07002	1.2
165.12749	1.1
166.06862	1.3
169.04932	1.9
169.10179	1.8
171.02892	1.3
173.06003	7.7
173.09662	4.9
175.07480	1.0
177.05475	1.7
177.12817	2.3
179.08551	1.3
181.04974	2.6
181.06435	1.2
181.12163	1.2
182.07253	0.7
183.08060	8.9
186.06770	2.7
187.07556	2.1
189.09030	1.5
191.10571	0.8
195.13774	1.2
197.05899	0.9
197.09607	3.8
199.07561	2.8
201.09114	100.0
202.09355	1.0
207.08098	1.3
207.10052	0.9
209.11713	1.3
210.06761	0.9
215.10747	4.3
217.08714	0.9
219.08180	0.8
219.10165	22.7
219.17413	1.1
225.09094	7.7
231.10226	1.1
239.10594	1.0
243.10133	11.9
247.09744	1.2
248.11093	1.6
249.09071	1.5
263.07208	0.8
263.10672	1.7
267.10217	1.1
269.08160	0.9
271.07407	1.0
275.06909	1.0
276.10556	2.4
277.08582	1.1
283.06046	2.5
285.07660	0.8
291.10095	4.4
307.09766	1.4
309.11212	2.2
315.08658	1.3
315.23187	1.6
323.09283	1.0
325.10892	2.2
333.11176	8.3
333.24207	3.3
337.10477	1.2
339.12344	1.9
351.12268	10.4
351.25229	2.0
369.13397	13.6
369.18915	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1182
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
55.51978	0.6
57.01301	0.5
69.03427	4.0
69.07055	1.2
69.19988	2.5
69.20414	2.9
71.04984	0.5
73.51402	0.6
79.05470	0.7
79.81622	0.6
81.03411	0.6
81.07051	0.6
83.04966	0.8
85.02892	2.5
89.03918	6.6
89.49297	0.6
91.05486	1.3
93.07038	0.8
95.08595	1.6
97.02905	1.2
97.06524	1.4
98.20749	1.2
105.07028	1.5
107.08569	1.0
109.06522	1.1
109.10152	0.9
115.03957	1.0
117.03387	23.3
119.08553	1.6
121.10140	0.9
123.08083	0.7
127.03919	1.4
133.10095	1.3
134.03603	1.6
135.04437	0.7
135.11685	1.9
137.05984	1.2
137.09700	0.7
145.02852	56.0
147.11707	1.3
149.05980	8.0
149.09663	0.7
151.07559	5.8
153.12730	1.2
161.13258	2.0
163.22807	0.5
165.09071	0.9
174.10481	1.2
177.05476	100.0
178.05930	0.7
189.12743	6.6
192.54779	0.5
207.13792	10.6
266.24149	0.6
286.72998	0.7
313.12790	1.5
314.92505	0.5
350.12549	0.6
369.19290	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.7
55.01863	1.0
55.05502	0.8
57.03443	1.0
69.03415	2.1
69.07051	0.8
69.27079	4.4
69.27497	1.5
72.11343	0.6
79.05481	1.4
81.03427	0.8
81.07046	0.7
82.06560	0.7
85.02896	2.1
89.03923	7.8
91.05497	1.7
93.07030	1.2
95.04998	1.1
95.08604	1.4
96.30099	0.7
97.06477	0.7
100.07597	1.1
105.07021	1.9
106.04145	0.8
107.08599	0.6
109.10181	0.9
114.11643	0.7
115.05487	0.7
117.03388	24.0
117.07014	0.8
119.04904	1.1
119.08604	0.9
121.06533	0.7
123.04459	0.9
131.04900	0.7
131.08609	0.8
134.03635	2.1
135.04424	1.1
137.06052	0.9
137.09615	1.4
145.02853	56.0
147.04225	0.6
149.06004	8.5
154.13062	0.8
161.05896	0.7
163.03937	2.2
167.07040	1.6
176.96938	0.7
177.05481	100.0
178.05872	1.1
186.73801	0.7
189.09146	1.7
189.12761	2.8
193.08621	0.8
195.13811	0.6
207.06496	0.9
207.10255	2.2
207.13779	1.3
219.06563	1.3
248.99040	0.8
249.07570	2.2
279.09009	0.7
351.10840	1.0
351.18109	1.3
369.11218	1.5
369.15100	5.1
369.19199	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	368.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01878	4.8
55.05510	5.9
57.03440	9.5
57.07084	5.5
61.02937	3.6
67.05511	10.5
67.64442	2.0
69.03430	10.1
69.07068	16.8
69.58553	13.1
71.04993	31.3
71.08634	26.5
73.02946	4.2
79.05488	4.9
81.03400	9.4
81.07054	11.5
83.04987	2.1
83.08617	10.0
85.02911	32.5
87.00827	4.5
89.06037	17.2
91.05474	2.6
93.07059	7.8
95.08620	5.5
95.14124	1.6
97.02897	11.1
97.06540	7.9
99.08099	37.3
105.01865	7.5
105.07047	3.0
107.08601	7.4
109.02879	5.9
109.10169	39.4
111.08086	2.6
119.08566	3.3
123.04491	2.9
127.03953	9.9
127.11209	7.0
135.11716	10.0
139.03914	7.2
145.04968	4.9
145.12239	100.0
147.04398	2.6
153.12741	17.2
161.60284	2.4
163.03935	7.2
171.13809	42.8
180.34377	2.3
189.13037	2.5
189.14861	28.1
219.10156	3.7
249.06352	2.9
368.12354	2.3
369.13403	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	368.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.9
55.01873	3.6
55.05507	7.5
57.03443	5.3
59.05009	3.1
61.02929	3.6
67.05507	9.9
69.03432	7.0
69.07073	17.8
71.04996	23.1
71.23090	6.2
73.06579	3.5
75.04512	2.8
79.05493	10.2
81.03440	3.4
81.07065	31.8
83.04973	3.8
83.08635	2.5
85.02911	22.7
85.06556	3.2
87.04494	4.0
87.17782	2.3
91.05460	3.1
93.07050	27.9
95.04977	3.5
95.08614	10.2
96.51927	2.5
97.02908	6.3
97.06540	57.5
99.08112	10.9
105.07045	3.1
107.04902	3.1
107.08604	25.6
109.10165	15.5
111.08066	3.1
115.03911	4.3
117.03395	5.7
123.11727	7.4
127.03924	4.4
127.11217	3.6
134.59052	2.8
135.04457	8.5
135.11707	35.1
139.04021	2.4
141.12740	25.8
145.02876	7.7
145.04951	4.0
145.07542	3.2
147.04446	4.7
149.06032	3.7
153.11517	4.9
153.12759	91.4
156.10744	2.6
167.07050	5.7
171.10167	4.3
171.13818	100.0
177.05499	20.8
187.02449	11.7
189.09166	4.4
189.14859	24.8
195.06616	5.5
199.09656	6.8
207.07751	7.2
207.10201	14.7
208.08112	4.8
209.08195	5.7
219.04956	5.6
220.33736	2.5
245.46252	2.8
246.37587	2.8
283.08084	12.0
333.19049	5.6
368.13455	18.1
368.29102	3.6
369.14816	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	368.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.01891	1.1
55.05508	2.6
59.05015	1.6
63.09829	1.0
67.05502	2.0
69.03423	1.8
69.07076	6.4
69.57508	5.4
70.65955	0.8
71.04996	16.1
73.06558	2.5
79.03864	0.9
79.05508	4.8
81.03400	1.1
81.07059	21.9
82.07363	1.3
83.04994	1.2
85.02921	5.2
85.06523	3.0
87.04475	1.9
91.05483	3.2
93.07055	15.2
95.05002	1.1
95.08601	3.7
97.02892	1.9
97.06516	2.9
98.97571	1.1
99.08093	1.6
104.32035	0.9
105.07011	1.6
107.08595	10.6
109.10146	3.3
111.08133	1.4
115.03941	1.8
115.07562	1.3
117.03372	2.5
119.04932	3.3
124.11987	1.2
127.03946	1.6
129.09097	3.3
135.10703	1.3
135.11702	20.1
144.31914	1.0
145.02849	3.0
147.04424	10.8
152.11493	1.6
153.12753	100.0
157.08595	2.3
158.12486	0.9
169.12192	1.1
170.12593	2.4
171.10139	4.9
171.13808	2.0
173.71675	0.9
177.05502	7.5
187.13269	2.7
188.13680	3.6
189.11214	3.6
194.09492	1.5
283.08197	1.1
347.92514	1.1
368.17349	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
57.03436	0.5
59.19428	0.5
65.78373	0.5
67.05500	1.1
69.03419	2.0
70.82790	1.3
79.05489	0.9
79.41721	0.5
79.47007	0.5
81.03432	0.9
83.04974	0.6
85.02919	2.5
89.03414	0.9
89.03920	8.9
91.05496	0.7
95.04993	0.8
95.08625	3.3
97.02873	0.9
103.05460	0.6
103.33293	0.5
105.07029	1.6
106.04204	0.5
107.08591	1.2
109.02880	0.7
111.04481	0.6
117.03385	25.7
118.86121	0.5
119.08559	1.3
121.06466	0.9
121.10130	1.1
121.23487	0.5
123.08041	1.5
127.03918	0.7
131.08585	0.7
133.06567	0.5
133.10144	0.6
134.03624	1.6
135.04433	1.2
137.09621	1.0
145.02853	55.7
147.11668	1.2
149.06001	8.2
149.09634	4.6
151.07520	0.6
151.11192	2.7
159.08173	0.6
161.13306	0.9
163.03874	0.7
163.11180	2.1
174.10400	2.2
177.05479	100.0
178.05788	1.3
186.05519	0.9
189.12758	7.6
191.14294	1.3
207.13771	6.9
369.19156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.8
55.05512	22.4
57.07060	6.8
59.04999	3.2
65.03922	5.1
67.05510	35.9
69.03407	5.0
69.07070	25.3
71.04982	9.9
79.05502	38.3
81.06593	3.2
81.07063	56.6
83.04980	6.5
83.08615	7.8
85.06524	3.4
91.05492	64.7
93.07050	89.6
94.32635	1.9
95.04970	39.3
95.08613	62.2
97.06538	16.9
103.05465	5.0
105.04527	2.3
105.07043	100.0
107.04932	2.0
107.07875	4.3
107.08604	67.0
109.06553	14.3
109.09476	3.6
109.10169	47.6
111.08080	4.9
115.05446	6.5
116.06216	4.2
117.07034	20.6
119.04837	2.1
119.08591	89.8
119.12571	2.1
121.06513	8.7
121.10153	57.1
123.08055	4.8
123.11726	17.2
128.06235	13.3
129.07018	22.8
130.07774	9.1
131.08577	58.2
132.09247	2.3
133.06570	3.3
133.10144	62.0
135.08083	16.1
135.11708	22.3
137.09601	8.8
139.11192	2.5
141.06998	8.0
142.07788	22.1
143.08569	41.3
144.09383	12.0
145.06516	3.8
145.10133	71.4
146.07259	6.5
147.08098	10.5
147.11688	23.9
149.09628	14.5
149.13268	4.2
153.07040	4.7
154.07724	3.4
155.06143	2.2
155.08559	14.1
156.09370	14.0
157.10147	58.6
158.10876	8.3
159.08061	5.9
159.11693	40.2
161.09637	47.3
161.13286	10.7
163.11116	4.3
165.07008	3.6
167.08551	8.1
168.09352	6.0
169.10152	23.4
170.10934	7.5
171.08058	2.7
171.11673	29.7
172.12418	4.6
173.09612	10.0
173.13283	33.2
175.11215	9.9
175.13557	2.2
175.14833	16.2
177.12811	2.5
179.08534	8.3
180.09213	3.9
181.10133	11.1
182.10901	6.1
183.11708	24.0
185.09706	2.5
185.13303	17.6
187.11266	3.6
187.14890	18.9
189.12804	5.3
193.10091	3.4
194.10910	5.1
195.11694	18.7
196.12498	5.0
197.13315	18.8
198.14069	3.1
199.11067	4.5
199.14897	15.0
201.12755	4.9
201.16400	10.0
207.11737	4.7
208.12434	3.4
209.13275	24.6
210.14038	4.1
211.11269	2.7
211.14784	5.9
213.12822	5.0
213.16470	5.7
217.15895	4.2
219.17538	2.3
221.13123	2.7
223.14830	7.6
225.12801	4.1
225.16420	3.9
226.17221	2.3
227.14369	22.0
237.16243	3.5
239.17982	8.8
241.15961	3.0
243.17268	3.0
247.14915	2.6
249.16246	2.5
251.17982	4.5
253.19565	3.0
255.17368	5.8
257.19037	5.0
261.16257	2.5
265.16022	2.2
265.19489	5.9
267.17496	4.4
269.18988	4.0
275.18155	2.9
293.19080	4.0
337.06973	3.0
349.25354	7.8
367.11484	4.3
367.22305	5.7
367.26355	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	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.1
55.05508	18.8
57.07058	12.0
59.04994	8.0
63.89787	6.8
66.61037	8.5
67.05498	53.5
69.07066	19.5
71.53577	7.0
71.53952	7.7
79.05495	34.9
81.07057	58.7
83.04967	8.9
83.08603	11.1
91.05492	58.7
93.07056	82.4
93.79579	7.1
94.00121	6.8
95.04969	40.0
95.08619	56.3
97.06538	17.8
97.10152	7.7
105.07036	98.3
106.93070	7.8
107.08604	65.8
109.06506	17.5
109.10158	54.5
117.06998	24.9
119.08595	100.0
121.06500	11.7
121.10161	64.0
123.08082	8.1
123.11729	18.2
123.25545	7.9
129.07039	15.5
131.08591	49.3
133.10132	77.6
135.08057	13.6
135.11729	21.2
142.07794	19.7
143.08572	31.7
144.09334	10.3
145.10155	72.4
146.07285	8.5
147.11703	28.3
149.09630	9.4
155.08556	8.9
156.09357	10.9
157.10176	46.2
159.11687	27.5
161.09634	43.8
161.13393	10.0
167.08443	11.4
169.10172	19.0
171.11710	28.6
173.13283	23.3
175.14796	28.7
179.08548	12.6
183.11737	18.1
185.13184	13.6
187.14790	17.8
197.13231	17.6
199.14900	11.3
201.12758	11.8
209.13315	25.3
211.14766	7.2
213.12645	10.5
213.16347	12.9
223.14523	8.2
227.14307	15.7
239.17979	12.7
337.07080	8.1
359.19489	7.3
367.11819	38.5
367.26147	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58834	0.4
53.03941	1.6
55.01873	5.3
55.05268	0.8
55.05512	9.5
56.61557	0.5
56.96546	0.7
57.03440	5.5
57.07080	0.7
65.03941	1.3
67.05508	19.9
68.99788	0.8
69.03419	1.6
69.06730	0.7
69.07070	9.4
69.77148	1.5
69.77561	1.4
71.04989	1.7
73.02926	0.6
79.05494	15.3
80.18015	0.5
81.03402	2.0
81.07059	30.3
83.04983	4.3
83.08620	3.9
85.02910	0.9
85.06535	1.8
91.03973	0.7
91.05485	12.7
93.03403	0.6
93.07047	12.1
95.04974	6.7
95.08606	12.4
97.02892	0.5
97.06533	8.0
97.10172	2.1
98.20848	0.9
98.97526	0.6
99.04426	0.5
99.08089	1.0
105.04497	1.0
105.07033	13.8
107.04964	4.0
107.08597	13.6
109.06522	4.2
109.10171	5.5
111.04419	1.9
111.08088	1.7
113.05986	0.6
113.09645	0.9
117.07017	3.0
119.08582	11.4
121.02856	0.7
121.06528	1.6
121.10145	7.1
123.08055	2.4
123.11713	5.1
125.09637	2.8
127.07578	0.7
128.06160	0.6
129.06973	2.3
131.08586	5.5
133.06555	0.8
133.10118	7.6
135.08073	1.5
135.11679	3.4
136.81705	0.4
137.09612	1.9
139.03889	0.8
141.06938	0.8
143.08543	1.3
145.06384	0.4
145.10147	5.7
147.08012	0.6
147.11684	13.4
149.09622	7.8
149.13246	1.8
151.11168	1.0
153.09105	0.5
155.08592	0.8
157.10133	1.7
159.11694	3.4
161.09590	0.9
161.13297	1.9
163.11235	3.5
163.14917	0.8
165.06911	0.5
165.12737	6.4
167.08458	0.5
169.10123	0.6
171.10191	1.0
171.11655	1.2
173.13258	2.2
175.11195	1.7
177.12741	1.6
179.14250	0.6
181.10086	0.8
181.12273	0.6
183.11743	0.7
183.13776	1.0
185.13190	0.6
187.11215	0.8
189.11148	2.2
191.14374	0.5
193.12297	1.8
195.13910	0.9
197.13251	0.8
213.14078	0.5
219.39384	0.5
226.43803	0.5
227.03413	0.6
227.12830	1.0
229.14346	2.7
229.19630	0.7
237.05498	0.7
239.17929	2.0
240.07776	0.6
241.05066	0.5
245.14014	1.0
246.85242	0.5
247.20647	1.7
251.19885	0.5
253.05009	2.0
253.08780	0.5
253.18123	0.6
257.18954	3.3
263.20123	0.7
265.04959	1.6
265.21750	0.6
266.05670	0.6
267.06537	1.2
267.09421	0.6
269.17459	1.1
275.20071	19.2
279.06479	2.0
279.09543	0.7
283.09641	3.1
287.11780	0.5
291.06662	0.7
291.10141	0.7
292.07321	1.3
293.04483	1.7
293.08109	3.5
293.21158	1.9
294.05219	0.7
295.06079	0.5
297.07513	0.8
305.04367	5.4
306.04721	0.6
307.09567	1.0
319.05878	0.8
325.07025	1.1
331.22617	0.6
335.09198	3.8
336.09772	0.8
337.07086	19.8
338.07520	1.1
349.23737	10.4
351.08701	2.8
367.11798	100.0
367.17279	8.2
367.24979	10.7
368.12119	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.9
55.01881	9.8
55.05279	1.4
55.05518	19.9
56.96533	1.5
57.03442	12.8
57.07067	1.7
61.02913	1.1
63.53768	1.3
65.03928	2.5
67.05512	43.4
67.05879	2.0
67.82852	1.5
69.03432	1.9
69.07074	32.0
69.18420	1.2
69.28410	8.1
69.28822	2.8
71.05006	2.9
75.73428	1.2
79.05496	38.5
81.03420	3.5
81.07063	92.7
83.04999	6.3
83.08626	12.9
85.02899	2.3
85.06549	3.0
87.42771	1.1
91.05488	31.3
93.07051	27.2
93.51643	1.3
95.01353	1.3
95.04977	9.2
95.08610	29.6
95.09180	2.3
97.06541	15.7
97.10165	3.2
98.97556	1.3
99.08101	2.5
105.07038	29.0
107.04949	8.1
107.07961	2.0
107.08607	20.9
109.06532	14.3
109.10181	11.6
111.04455	2.2
111.08100	5.1
117.07034	7.6
119.08598	22.1
121.06508	3.4
121.10169	11.6
123.08076	6.8
123.11713	9.1
124.09847	1.3
125.09638	4.3
129.06998	2.9
131.08589	11.7
133.10155	14.2
135.08055	5.6
135.11700	7.2
137.09634	3.3
137.13281	1.7
143.08621	2.4
145.10144	10.3
147.08066	2.8
147.11691	26.5
147.12816	2.1
149.09628	13.8
149.13312	7.6
151.11206	2.0
151.61092	1.2
155.08632	1.6
157.10139	4.7
158.99757	1.3
159.11737	9.1
161.13274	3.2
163.11182	6.5
165.12802	6.8
171.11688	2.5
173.13223	3.7
175.11211	4.4
177.12758	4.2
179.14265	2.3
183.11720	3.0
183.13649	1.2
185.13200	1.3
187.11185	1.3
189.00648	1.6
189.11145	2.5
191.14433	2.1
193.12259	3.4
195.13829	3.0
197.13297	2.0
201.12799	2.2
215.14323	1.5
219.13988	1.5
220.35260	1.2
229.14384	1.9
229.19533	2.9
233.77492	1.3
239.18042	3.8
247.20596	4.9
253.05008	2.1
255.33669	1.3
257.19025	8.4
265.05072	2.1
268.49228	1.2
269.17474	1.6
275.20084	43.0
279.65573	2.2
283.09763	2.7
293.08115	3.3
293.21207	7.2
303.07254	1.6
305.04507	4.9
321.13666	3.0
335.09088	3.0
337.07074	16.0
337.10751	2.1
349.23758	14.3
351.08487	2.0
367.11807	100.0
367.16772	4.1
367.24872	41.8
368.12061	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	367.16
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29126	1.1
53.03934	2.2
55.01852	3.5
55.05498	3.7
57.03419	4.5
59.04981	2.4
60.04524	5.1
61.02904	3.5
65.03923	1.1
67.05506	2.7
68.99771	1.3
69.03091	1.3
69.03431	20.4
69.07066	1.5
69.62126	5.5
70.64881	0.9
71.01357	1.0
71.04980	3.1
73.02903	3.2
73.06537	3.3
75.99771	1.0
79.05465	2.7
81.03416	10.3
81.07065	8.4
82.07378	0.9
83.04980	8.0
83.08593	1.8
85.02909	61.3
85.06501	0.9
87.04472	27.7
91.03938	1.3
91.05457	2.6
93.07036	1.9
95.04964	1.4
95.08601	2.4
97.02901	13.9
97.06526	1.3
99.04446	5.3
99.08086	1.3
101.02389	1.4
105.03359	1.1
105.07012	2.4
107.08610	2.6
109.02851	7.0
109.10139	4.0
115.03930	100.0
119.08585	1.1
123.11738	2.0
124.12019	1.8
127.03923	30.6
132.95850	3.2
133.04018	1.8
133.04968	25.2
133.10107	1.8
134.10370	1.1
137.05977	1.2
139.03949	5.0
145.04958	30.9
147.04372	1.2
147.09148	1.6
151.11186	3.2
151.12450	1.0
152.11491	3.3
155.08574	1.3
157.06421	1.4
163.06015	5.3
166.07735	1.1
167.01698	0.9
167.07036	1.1
167.08560	1.3
169.12189	5.1
170.12587	5.4
174.96867	3.7
187.13380	1.6
191.08400	1.0
195.08069	1.1
200.07835	1.1
209.09561	1.6
211.07542	2.4
216.97932	1.3
235.07454	1.1
246.99023	2.4
247.11211	1.2
251.10614	1.5
255.10204	1.1
259.08081	7.2
277.09155	9.8
279.10144	2.6
281.15012	1.8
283.06024	1.6
283.09537	1.4
289.08420	1.4
293.11636	1.4
303.10150	1.6
307.09586	5.1
325.10663	3.3
331.09741	1.5
331.13507	1.3
331.26755	1.3
348.27023	1.1
349.10703	4.8
349.27567	1.1
350.13333	1.0
367.07690	2.0
367.11566	4.9
367.28775	3.2
383.24545	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.05497	7.2
55.85684	2.0
57.03444	2.2
61.02918	3.3
67.05508	6.3
69.03417	8.4
69.07068	12.0
69.92014	3.7
69.92410	4.9
71.05000	20.3
71.50282	1.8
76.12949	2.3
79.05511	11.6
81.07059	75.3
82.07405	3.2
83.04992	10.1
83.08626	11.3
84.05304	2.1
85.02912	26.6
87.00819	2.4
87.04449	3.2
91.05479	2.9
93.07047	6.8
94.07385	3.7
95.08604	2.5
95.84759	2.0
97.02892	7.0
97.06535	4.7
97.10189	1.9
98.21465	2.4
99.08095	6.9
101.09650	8.0
105.01855	3.0
105.07016	2.1
106.49902	1.9
107.08598	12.2
109.02899	2.7
109.06501	3.7
109.10169	15.9
111.08066	2.9
111.11721	6.6
115.03925	5.4
119.04958	2.7
119.10662	2.5
123.08128	2.0
123.11717	20.1
124.12025	2.6
127.03911	7.0
133.10127	5.9
139.11214	11.3
145.04967	6.4
147.04442	4.8
147.09148	2.6
151.11171	34.8
152.11487	3.0
153.12718	2.8
157.12267	20.9
169.12267	36.2
170.12567	2.1
187.13309	100.0
205.14290	2.6
281.14975	4.8
367.11694	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	367.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24899	0.8
53.03944	2.4
55.01879	5.7
55.05272	1.0
55.05519	14.7
56.96565	1.2
57.03440	8.1
57.07067	1.0
58.69611	0.7
65.03939	2.6
67.05510	35.3
68.99792	0.9
69.03442	4.1
69.07075	14.8
71.04990	3.1
71.53162	1.3
73.02914	1.1
73.42253	0.7
74.14176	0.9
79.05499	27.0
81.03450	4.4
81.07065	59.3
83.04986	8.3
83.08629	7.7
85.02905	3.1
85.06536	2.7
91.03932	0.8
91.05488	24.5
93.07051	21.3
95.04978	9.9
95.08616	21.5
97.02888	1.2
97.06528	10.1
97.10162	3.7
97.22362	0.8
99.04487	0.9
99.08087	3.1
105.07040	23.7
106.77757	0.7
107.04971	4.6
107.08606	16.7
109.06536	7.0
109.10168	8.9
111.04473	3.1
111.08095	2.7
116.98538	0.9
117.07003	5.8
119.08588	19.0
121.06516	2.6
121.10151	12.0
123.08085	4.0
123.11743	6.1
125.09646	2.7
129.07005	2.2
131.08588	8.3
133.10149	12.7
135.08073	3.1
135.11713	4.9
137.09622	2.7
137.13268	1.0
138.45415	0.9
143.08585	2.4
145.06519	1.5
145.10136	9.0
147.08109	1.2
147.11696	22.3
149.09648	5.3
149.13300	4.8
151.11218	2.8
155.08560	1.5
157.10146	2.0
159.11708	5.8
161.09621	1.1
161.13268	2.4
163.11201	4.9
165.12769	10.1
169.10207	1.5
171.10248	0.9
171.11751	2.0
173.09605	1.1
173.13274	2.5
175.11174	2.4
175.14783	0.7
177.12808	2.1
178.33618	0.7
183.11772	1.2
183.13788	1.8
185.13232	1.1
189.11363	1.0
193.12273	4.7
195.13835	2.1
197.05988	0.9
197.13187	1.7
199.14751	1.0
201.12636	0.8
201.16531	1.2
211.13217	1.5
215.91068	0.8
229.14417	4.5
229.19563	1.7
235.17175	0.9
239.18025	2.5
243.08932	0.9
243.15929	0.7
247.20651	2.9
253.04919	2.1
257.18970	3.5
263.20215	1.7
265.04953	1.9
267.09262	0.8
269.17627	2.7
275.20059	25.0
283.09515	3.5
285.10211	1.7
286.10858	1.2
293.04788	1.2
293.08160	2.7
293.21356	3.7
297.07709	1.4
305.04382	5.1
307.09854	1.0
325.07169	1.1
328.58224	1.0
331.22815	1.0
335.09091	3.6
337.07077	19.4
338.07306	1.0
349.16647	1.1
349.23923	8.7
351.08768	2.2
367.11823	100.0
367.17432	12.6
367.25061	20.2
368.11990	3.9
368.24771	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
56.96568	14.9
57.03434	2.3
59.48213	1.3
61.02915	1.8
65.03938	3.0
67.61287	1.3
68.01913	1.4
69.03426	5.8
69.52307	9.4
73.02905	1.9
74.97526	1.3
76.66487	1.3
76.67701	1.6
81.07076	2.0
84.96044	1.6
85.02915	15.0
89.03923	3.9
91.05483	18.9
93.07040	5.5
95.04981	2.5
97.02874	4.0
98.97572	9.2
105.07056	1.7
107.08627	2.2
110.97585	2.6
111.08079	10.9
113.80241	1.2
115.05513	2.3
116.98615	2.9
117.03368	4.2
117.07022	2.0
118.06544	11.8
119.04945	26.6
120.05293	3.4
123.04452	1.7
123.10319	1.5
123.11791	1.5
124.99105	2.1
125.50939	1.4
127.03925	4.7
129.06969	1.4
130.06474	6.8
132.08102	6.1
135.04446	5.7
139.03889	7.6
143.00150	6.1
143.07295	2.4
144.08089	14.1
145.02844	4.0
145.07596	3.1
146.06017	47.5
146.99638	1.4
147.04417	73.5
148.04729	7.3
151.03937	1.5
151.11208	3.3
156.08073	10.0
159.09201	3.3
160.07603	3.8
161.01251	3.6
163.00459	1.8
163.03912	34.5
164.04314	1.7
167.07117	3.5
168.08075	3.8
169.12218	5.7
170.06064	5.0
177.00731	2.3
183.06592	1.7
184.07623	4.3
185.01242	2.1
186.09190	1.8
188.07077	100.0
189.00641	2.0
192.07838	3.2
202.08643	4.1
203.05371	2.1
205.01540	2.1
205.09746	46.9
205.11833	2.5
206.04512	2.6
212.08162	1.4
219.01794	2.2
230.08098	26.1
233.08061	1.6
234.99171	2.2
237.00688	3.3
237.02829	1.7
239.02293	5.7
247.10846	9.8
257.03433	2.8
258.11209	2.7
307.04776	8.8
331.12952	2.5
332.11386	4.6
349.13870	3.0
350.12286	12.0
367.05872	2.8
367.10294	5.6
367.15039	6.5
370.07779	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.16
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29126	1.1
53.03934	2.2
55.01852	3.5
55.05498	3.7
57.03419	4.5
59.04981	2.4
60.04524	5.1
61.02904	3.5
65.03923	1.1
67.05506	2.7
68.99771	1.3
69.03091	1.3
69.03431	20.4
69.07066	1.5
69.62126	5.5
70.64881	0.9
71.01357	1.0
71.04980	3.1
73.02903	3.2
73.06537	3.3
75.99771	1.0
79.05465	2.7
81.03416	10.3
81.07065	8.4
82.07378	0.9
83.04980	8.0
83.08593	1.8
85.02909	61.3
85.06501	0.9
87.04472	27.7
91.03938	1.3
91.05457	2.6
93.07036	1.9
95.04964	1.4
95.08601	2.4
97.02901	13.9
97.06526	1.3
99.04446	5.3
99.08086	1.3
101.02389	1.4
105.03359	1.1
105.07012	2.4
107.08610	2.6
109.02851	7.0
109.10139	4.0
115.03930	100.0
119.08585	1.1
123.11738	2.0
124.12019	1.8
127.03923	30.6
132.95850	3.2
133.04018	1.8
133.04968	25.2
133.10107	1.8
134.10370	1.1
137.05977	1.2
139.03949	5.0
145.04958	30.9
147.04372	1.2
147.09148	1.6
151.11186	3.2
151.12450	1.0
152.11491	3.3
155.08574	1.3
157.06421	1.4
163.06015	5.3
166.07735	1.1
167.01698	0.9
167.07036	1.1
167.08560	1.3
169.12189	5.1
170.12587	5.4
174.96867	3.7
187.13380	1.6
191.08400	1.0
195.08069	1.1
200.07835	1.1
209.09561	1.6
211.07542	2.4
216.97932	1.3
235.07454	1.1
246.99023	2.4
247.11211	1.2
251.10614	1.5
255.10204	1.1
259.08081	7.2
277.09155	9.8
279.10144	2.6
281.15012	1.8
283.06024	1.6
283.09537	1.4
289.08420	1.4
293.11636	1.4
303.10150	1.6
307.09586	5.1
325.10663	3.3
331.09741	1.5
331.13507	1.3
331.26755	1.3
348.27023	1.1
349.10703	4.8
349.27567	1.1
350.13333	1.0
367.07690	2.0
367.11566	4.9
367.28775	3.2
383.24545	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.118
Annotation	Candidusin C
Peak:m/z	Relative Intensity
55.01862	0.9
55.05519	1.2
57.03431	0.6
67.05505	1.6
68.99789	0.4
69.03442	0.3
69.07061	0.9
70.57738	0.4
70.58107	0.4
79.05492	1.4
81.03419	0.3
81.07053	2.2
83.04986	0.3
83.08609	0.7
85.06540	0.2
85.82929	0.2
89.24615	0.2
91.05493	1.1
93.07043	1.5
95.04966	0.6
95.08640	1.1
97.06528	1.1
97.10197	0.3
105.07040	1.6
105.27885	0.2
106.02951	0.2
107.04967	0.6
107.08596	1.4
109.10162	1.0
114.88053	0.2
117.07015	0.4
119.08602	1.1
121.10137	0.7
123.08065	0.4
123.11710	0.5
125.09610	0.4
131.08569	0.6
132.26874	0.2
133.10141	0.9
135.11711	0.4
145.10126	0.9
147.11700	0.7
149.09637	1.0
149.13217	0.3
159.11618	0.3
163.11182	0.6
165.12747	0.3
181.06401	0.3
183.04308	0.2
189.11154	0.3
191.08612	0.3
197.06064	0.3
202.77080	0.3
209.06059	0.3
213.05573	0.2
225.05396	0.3
237.05443	0.4
239.07031	0.3
239.10641	0.3
239.17966	0.3
240.07777	0.7
241.04944	0.5
250.06046	0.3
251.07324	0.3
253.05003	1.6
257.19089	0.3
264.07849	0.3
265.04916	1.7
265.08771	0.4
266.05756	0.3
267.06512	0.8
267.09723	0.3
268.07336	0.8
275.20090	2.1
279.06512	1.2
279.09799	0.4
280.25443	0.2
282.05270	0.4
283.09677	2.9
287.08188	0.3
291.06738	0.3
291.10025	0.4
292.07297	0.9
293.04474	1.2
293.08127	3.3
294.05328	0.5
297.07526	1.1
305.04434	5.4
305.07947	0.3
307.09677	0.7
310.08691	0.3
319.06107	0.8
320.06854	0.2
323.08936	0.3
325.07095	1.2
335.09171	3.1
337.07080	17.6
338.07422	0.3
349.23849	1.4
351.08624	2.8
367.11792	100.0
368.12109	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	366.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
54.53196	1.3
55.05510	5.6
57.03445	3.1
57.07064	2.6
58.79564	1.3
60.04519	1.4
67.05512	14.1
69.03429	3.8
69.07074	15.9
71.05003	7.5
71.53683	1.8
73.91519	1.7
79.05490	3.6
81.03428	1.6
81.06588	2.7
81.07060	46.1
83.04996	1.6
83.08621	3.5
85.02909	11.0
85.06546	15.3
91.05488	2.9
93.07057	6.6
95.04970	6.0
95.08604	14.1
97.02903	3.3
97.10184	4.3
99.04469	2.6
99.08121	1.8
105.07050	3.6
107.08601	5.8
109.06549	2.9
109.10164	33.1
111.04446	1.9
111.08083	1.8
113.05998	2.4
123.11719	49.7
125.09663	3.8
127.03938	1.8
127.07503	2.2
127.11208	27.3
133.10118	7.4
145.04996	2.5
151.11198	18.6
169.12251	100.0
173.06145	1.3
180.08694	2.3
183.62491	1.3
185.08002	1.4
187.13293	34.0
226.59976	1.5
279.05725	1.4
283.05911	1.4
283.74747	1.5
321.07721	2.6
331.13763	2.7
348.14584	2.4
366.15704	3.2
367.08112	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	367.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96297	4.1
56.96571	68.2
56.96852	4.0
58.26499	2.3
60.31305	1.7
61.74424	2.0
65.65623	2.1
70.75523	4.0
70.75861	3.5
71.95271	2.9
74.97620	4.2
75.89886	2.3
78.86379	2.3
84.96033	19.8
94.93020	3.2
98.96939	5.0
98.97594	100.0
100.99178	3.0
102.34013	2.2
110.97581	10.3
112.99158	12.2
116.98627	32.8
119.00156	2.0
121.16853	1.9
124.99158	16.1
126.97009	2.5
128.92078	2.3
128.98628	12.3
131.00211	17.3
134.39749	1.8
134.99698	9.5
135.56221	1.9
136.28081	1.9
140.98642	4.8
143.00183	37.0
144.98116	5.9
145.03485	3.1
146.99672	6.9
147.03241	2.6
149.01241	30.5
150.97014	21.4
150.97910	2.0
155.00258	2.5
158.99690	7.0
159.03163	2.6
161.01253	18.2
162.99146	4.5
164.93546	7.7
167.02310	8.1
168.98125	56.7
170.99677	9.0
172.94446	2.8
173.01245	19.2
177.00703	5.2
177.04288	2.2
180.93002	7.6
185.01282	2.4
186.99173	92.2
189.00748	11.3
191.02284	13.0
193.00279	3.3
201.00723	15.8
205.00253	28.1
211.48944	2.5
214.03799	2.7
214.98834	3.4
219.01784	70.4
222.95660	2.2
225.00691	7.3
231.01770	5.5
237.02844	26.8
242.03313	2.5
243.01849	12.1
246.97568	2.7
249.02789	2.8
250.92203	8.2
252.97998	2.7
253.00352	19.6
255.03908	7.6
260.01294	4.9
261.02881	9.7
262.90311	9.2
268.98242	21.5
269.01147	4.1
271.01288	37.4
273.48053	2.5
279.03824	2.2
279.07507	2.1
280.91455	5.3
289.02319	29.0
290.98590	2.9
295.03433	3.8
297.48474	2.7
299.97781	2.5
302.97580	2.8
303.00934	2.6
307.03384	64.0
307.06958	3.1
312.01465	3.7
325.04425	29.9
341.97269	2.4
343.05460	6.2
347.01917	3.6
367.05435	68.3
367.10037	3.4
384.93195	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.7
55.05503	3.0
57.03433	2.0
57.07069	13.2
60.04504	1.9
67.05505	10.6
67.69740	1.6
68.05021	2.2
69.03424	5.1
69.07069	80.7
70.06593	2.7
71.04998	9.3
74.02426	2.2
79.05501	1.6
81.03394	2.3
81.07055	14.6
85.02910	13.2
85.06527	4.8
86.09692	2.2
91.05482	1.8
93.07072	3.0
93.70139	1.6
95.04936	2.3
95.08614	4.4
97.02886	4.6
98.97581	2.5
105.07011	2.4
107.08576	6.5
108.28737	1.4
109.06509	2.0
109.10159	100.0
111.08088	2.3
113.06020	6.0
114.05518	3.3
120.08080	3.0
123.11714	22.6
125.09618	2.7
127.03870	3.0
127.11181	10.5
131.08490	1.8
133.10078	3.0
139.11130	1.9
145.04985	2.7
147.04340	1.7
151.11214	16.6
161.09595	1.7
161.88699	1.8
163.11235	1.7
169.12244	83.0
173.05978	3.3
173.12834	2.0
187.13293	5.6
201.05470	2.1
203.06718	1.8
203.10590	2.2
213.09088	2.5
219.06473	2.3
226.69957	1.6
231.10123	5.4
236.09137	5.5
239.10645	2.8
245.11726	3.2
249.09166	2.0
255.43039	1.7
264.12390	1.6
267.09985	2.1
271.09653	2.2
282.09705	14.6
285.11111	4.1
302.13782	4.5
306.84882	1.9
342.99008	2.0
348.14493	24.6
348.18240	4.7
366.15317	20.0
366.19150	28.4
367.15533	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.05492	1.4
59.05011	1.8
60.04528	1.8
61.02905	1.0
63.74311	1.0
67.05504	2.2
69.03432	2.3
69.07071	2.3
69.58227	4.9
71.05003	10.7
79.05503	13.0
81.07065	85.8
83.04979	5.7
83.08631	1.3
85.02915	4.6
90.30371	0.9
91.05516	1.4
92.53299	0.9
93.07048	2.2
94.91121	1.0
95.04948	2.0
95.08622	2.0
105.05517	1.9
107.08610	2.9
109.06554	1.2
109.10174	4.4
113.06012	2.4
121.10156	1.2
123.11724	7.8
134.98712	1.3
137.29665	1.0
151.11189	9.8
169.12256	100.0
170.12654	1.3
187.13304	7.4
234.17827	1.0
253.26027	1.0
288.71622	1.1
313.28726	1.0
366.28464	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	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.3
55.01861	3.3
55.05518	44.0
57.77995	3.0
58.09005	3.5
59.04981	4.2
65.53765	3.1
66.02147	3.6
67.05213	2.8
67.05511	28.3
67.84837	3.4
69.03421	11.9
69.07073	4.2
71.04644	5.4
71.04998	46.8
71.17409	8.3
79.05476	10.0
81.03384	4.0
81.06589	5.6
81.07060	100.0
83.04999	37.7
85.02901	26.8
91.05501	20.9
93.07053	68.9
95.04972	29.6
95.08602	15.5
97.02885	9.1
97.06526	24.3
105.07043	22.8
107.08605	81.0
109.06509	13.0
109.10155	39.6
111.08078	6.4
113.06017	4.9
118.89206	3.0
120.15457	3.1
121.10127	7.9
123.08063	8.6
123.11702	43.7
126.79611	3.1
127.03951	4.2
133.10146	39.3
145.04919	6.3
147.04430	9.3
151.11192	62.7
169.12242	51.9
187.13306	13.6
207.07658	10.9
323.12634	6.6
366.12729	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	366.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.1
55.01873	6.4
55.05513	2.8
57.03434	6.6
57.26398	0.8
59.57180	0.8
61.02926	6.2
62.39809	0.8
67.05505	1.5
68.99782	2.8
69.03435	30.5
70.40781	1.8
70.41152	1.8
71.05001	5.2
73.02925	7.1
81.03423	22.5
81.07072	2.1
83.04993	0.9
83.08612	1.5
85.02911	100.0
86.03220	0.9
87.00836	41.4
87.04468	1.1
91.03955	1.5
92.39149	0.7
93.07020	1.0
97.02901	29.6
98.20831	1.0
99.04464	12.7
105.01874	65.1
108.04472	3.4
109.02150	1.2
109.02888	22.2
111.08074	2.5
115.03954	1.1
116.06118	0.9
117.01860	3.4
126.05527	1.5
127.03926	64.2
129.01833	2.8
135.08067	1.0
139.07617	1.3
141.09056	1.3
145.04970	39.6
147.02881	2.5
151.07567	2.1
159.02895	14.4
167.10751	1.1
169.12285	1.0
177.03929	1.4
189.03969	2.7
191.10599	1.0
209.11794	4.6
213.03955	3.5
222.90648	0.9
230.06487	0.9
231.05005	20.9
248.07756	1.3
249.06068	6.1
269.13702	1.7
295.11847	5.2
313.12811	2.2
320.41354	0.9
341.88843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.1
55.05505	2.2
56.05030	1.6
57.03445	5.6
57.07080	46.2
59.04993	1.5
60.04516	2.9
67.05513	2.4
68.05035	8.2
69.03439	8.7
69.07079	7.3
69.78141	5.5
70.06600	8.6
71.04990	3.3
71.37594	1.1
73.02912	1.8
74.02460	7.7
74.06094	1.3
79.05496	1.8
81.03413	4.9
81.07050	3.8
82.06567	1.4
84.08147	1.8
85.02917	8.8
85.06535	3.8
86.09704	6.4
87.00825	4.3
93.03410	3.3
93.07034	2.0
95.04941	1.3
95.08601	2.7
96.08108	1.7
97.02907	11.9
98.20803	1.2
99.04462	3.6
100.07578	1.2
105.01883	3.9
105.07027	1.6
107.04909	1.4
107.08585	2.7
109.02858	2.4
109.10166	9.4
114.05535	20.6
114.09160	3.5
119.08584	2.1
120.08111	3.5
121.02862	5.1
121.06487	1.6
121.10081	1.1
123.11691	4.6
127.03936	15.2
129.59370	1.2
135.04408	1.3
135.08041	1.8
137.05989	1.6
143.08664	1.2
145.04970	13.2
145.06516	2.2
147.04402	6.4
147.08028	1.9
151.11172	3.9
157.06448	1.4
157.10146	1.8
159.07996	1.9
161.05989	4.7
163.03819	2.0
163.07510	3.6
169.12303	11.2
173.05984	8.8
173.09583	1.9
173.12898	7.9
175.03879	2.5
175.07561	5.2
181.04979	2.2
185.06003	1.4
185.09621	2.5
187.03979	1.4
187.07574	3.5
189.05466	3.4
189.09123	3.2
190.08636	2.6
191.07108	2.9
195.08067	2.5
197.09560	3.4
199.07539	2.7
199.11166	2.1
200.08400	1.3
201.05383	6.0
201.09189	2.7
201.12379	2.7
203.07028	3.3
203.10661	6.7
205.04947	1.6
205.12263	1.3
207.06438	1.4
207.11502	1.6
211.07428	2.6
211.11244	4.5
213.09084	6.2
215.07059	2.5
215.10739	3.5
216.07892	1.6
217.08665	2.1
218.09529	2.4
219.06534	9.6
219.10088	1.8
224.08353	9.0
225.09120	2.2
226.09998	2.0
227.10710	3.8
228.07634	1.6
229.04936	4.8
229.08571	3.3
229.12225	4.7
231.04994	9.0
231.10167	15.5
233.08098	3.2
236.09209	11.8
239.10712	11.2
241.08533	2.4
241.12160	3.2
243.10088	2.5
243.65599	1.3
245.11839	6.1
247.05937	2.7
247.09691	11.1
247.13252	2.3
249.05994	4.6
249.09084	5.2
253.08542	1.7
255.13890	1.4
256.13394	2.5
257.08105	1.5
257.09363	1.3
257.11765	11.3
259.09763	5.5
259.13092	1.3
263.09164	1.6
264.12247	3.3
267.10080	6.0
269.11816	1.8
271.09644	10.1
273.11288	2.0
274.14447	4.2
275.12683	3.5
282.06586	2.5
282.09750	46.1
282.13266	4.2
285.11203	13.0
285.88702	1.3
286.76666	1.2
287.12766	3.3
295.09732	2.8
299.12756	1.9
302.13879	21.2
303.12292	7.5
313.10733	3.7
320.14999	6.3
330.17026	1.9
331.11819	1.7
348.14432	100.0
348.18121	10.7
349.15097	1.6
366.15350	92.3
366.19193	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
70.60342	1.1
70.70918	2.3
83.44157	0.8
96.88798	0.8
98.21458	1.2
98.97588	7.8
101.00931	0.9
116.98613	3.4
128.33453	1.0
152.60446	1.0
159.00020	1.1
177.00980	6.2
190.95267	1.1
198.97890	1.1
201.00897	1.9
216.98924	4.5
219.02034	11.8
234.99982	8.2
240.98947	10.8
243.02058	2.7
243.93674	1.0
253.01082	1.5
256.96439	1.5
259.00021	31.9
260.00238	1.7
261.03073	26.4
264.99103	4.0
273.98737	1.4
274.97504	5.9
277.01093	17.8
278.01337	1.4
283.00012	76.5
284.00159	4.3
292.98499	2.6
301.01074	100.0
302.01254	5.0
303.01700	1.2
319.02045	3.9
324.02783	2.2
325.01086	14.7
343.02130	68.5
344.02289	3.4
361.03220	17.2
366.03922	1.9
385.03149	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01883	1.4
55.05501	0.5
57.03196	0.3
57.03444	3.3
59.04991	0.7
60.04538	2.2
61.02645	0.2
61.02935	2.0
63.83364	0.2
65.03934	0.2
65.35455	0.2
67.05498	0.5
69.03438	9.7
69.07054	0.3
69.90770	0.7
70.06587	0.3
71.01364	1.6
71.05001	3.3
73.02921	1.4
75.04473	0.3
77.03906	0.2
79.05520	1.1
81.03426	1.4
81.07063	1.2
83.22634	0.2
85.02892	0.6
85.06535	0.5
87.04432	0.4
89.11948	0.2
91.05481	0.8
91.20551	0.2
92.04980	0.2
93.07040	0.7
95.04975	0.2
95.08587	0.5
97.02887	0.5
97.06535	0.5
99.04462	3.3
104.04996	0.5
105.07017	0.3
106.06567	2.4
107.08604	0.8
109.06546	0.3
109.10146	0.4
111.08051	0.3
116.04982	2.4
117.05517	1.0
118.05287	2.7
118.06561	0.5
119.04938	0.4
119.08545	0.2
120.08123	0.3
123.08045	0.2
123.11713	0.5
124.07619	0.3
125.09580	0.2
127.03882	0.2
130.05296	0.2
130.06534	0.7
131.06056	1.3
132.06842	0.4
133.07626	8.9
133.10197	0.3
134.06027	0.7
138.51868	0.2
143.06075	1.8
144.04474	0.4
144.06862	0.4
144.08022	0.4
145.07623	12.9
146.08414	1.0
147.04449	1.2
147.09189	1.3
148.06288	0.4
151.11194	1.0
154.06482	0.2
155.06158	0.2
157.07616	1.4
158.04774	0.7
158.06006	0.2
158.08392	0.6
159.09227	1.0
161.07103	2.8
163.08690	14.6
169.12259	2.4
170.08446	0.3
171.05573	1.2
171.09203	1.1
173.07146	1.3
173.10719	0.9
174.07838	0.2
175.08704	4.0
176.09508	1.2
177.06619	2.5
177.10223	0.3
183.09137	1.0
184.09981	0.4
185.10805	1.0
185.48611	0.2
187.08563	0.4
188.09430	0.4
189.06586	7.8
189.10258	0.7
190.08669	0.2
191.08264	0.9
196.10065	0.2
199.08653	0.5
200.09532	1.4
201.10283	2.8
202.11026	0.7
203.08128	0.6
203.11787	0.7
205.09724	1.1
207.07672	100.0
208.07977	1.1
211.08923	0.2
212.09402	0.2
213.10287	1.1
214.06160	1.5
215.08243	0.9
215.11850	0.8
217.09804	0.8
219.11220	0.3
227.08307	0.3
229.09842	1.2
230.10583	0.4
231.07574	0.3
231.11290	1.4
232.07191	11.9
235.10785	0.3
241.09802	0.5
243.11224	0.5
245.09274	0.2
247.10841	0.4
249.08701	0.5
249.12303	1.1
250.89009	0.2
261.08734	0.6
261.12363	1.4
263.08554	0.8
269.09229	0.7
275.10159	0.6
277.12067	0.2
278.12473	0.3
279.13431	7.0
280.13800	0.3
287.10330	1.1
305.11368	3.1
312.25531	0.3
323.12402	45.7
324.12686	0.6
330.11023	0.2
330.26379	0.7
348.11938	5.1
348.27274	0.9
366.13000	74.0
366.28284	1.8
367.13333	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04766	2.8
53.03949	6.9
55.01873	9.2
55.05521	14.9
56.73359	3.1
57.03444	19.9
57.07086	5.7
57.37215	3.1
61.02929	12.4
67.05515	37.4
68.99828	3.0
69.03435	53.6
69.07082	16.6
69.37958	14.8
69.38384	8.6
71.01362	6.1
71.04989	13.5
73.02914	10.4
77.09235	2.8
79.05508	24.5
81.03413	24.0
81.07068	66.0
83.04988	13.4
83.08620	5.7
85.02916	100.0
87.04482	5.6
91.05493	34.5
93.07056	53.7
95.04974	13.0
95.08620	99.9
97.02913	35.2
97.06554	8.1
99.04462	14.6
103.03949	10.7
105.07037	64.2
107.04964	10.5
107.08606	56.5
109.02879	7.5
109.06527	7.1
109.10168	42.1
111.04467	9.6
111.08070	7.8
115.03927	8.0
115.05503	3.8
117.07034	15.2
119.08593	52.5
121.06509	9.8
121.10151	45.0
123.04433	10.6
123.08064	9.2
123.11720	52.5
125.09638	3.4
127.03938	32.9
128.06224	4.1
129.05487	12.0
129.07002	11.3
130.07732	6.3
131.08583	35.6
133.10150	50.9
135.08047	8.5
135.11690	23.2
137.06030	3.9
137.09622	9.0
142.07794	5.9
143.08577	19.7
145.04958	20.0
145.06577	4.3
145.10127	65.3
147.08037	4.7
147.11688	51.1
149.09671	7.8
149.13245	16.8
151.07565	6.7
155.08505	7.2
157.05006	8.5
157.10115	18.6
159.08043	7.2
159.11699	40.0
161.09647	6.6
161.13242	23.0
163.07433	3.3
163.11192	10.2
163.14731	3.4
169.10133	10.7
171.11707	13.9
173.09593	5.4
173.13268	13.9
175.11224	3.9
175.14856	7.1
177.12808	3.9
177.16385	3.8
181.10132	4.5
183.11717	8.1
185.13303	15.8
187.11243	4.3
187.14859	25.8
189.16388	32.6
191.10551	5.9
195.11719	4.3
197.13306	7.9
199.14864	6.3
201.12743	5.5
201.16388	49.5
203.10744	3.8
203.14574	3.4
203.17964	97.8
205.12376	3.9
213.16399	10.5
215.17979	33.5
219.17409	11.3
221.11653	5.6
221.18990	11.9
223.14877	4.0
225.16423	7.2
227.17935	22.3
231.17387	4.9
233.15405	6.3
243.13751	4.2
243.17467	6.1
245.19066	15.3
256.18307	3.3
257.19092	9.6
261.14896	14.3
269.18854	7.8
287.20120	9.5
299.20166	4.7
311.19940	10.2
329.21222	27.7
347.14874	4.4
347.22195	30.1
365.15939	8.9
365.23254	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	8.9
57.03438	1.0
57.49124	0.6
58.07228	0.6
61.02937	3.0
69.03424	1.5
69.95425	3.1
70.98129	1.3
71.95270	1.1
78.87182	0.6
84.96031	1.0
85.02915	3.1
87.42828	0.6
88.99178	0.8
97.02895	1.1
98.97590	15.8
100.99170	1.0
101.00892	4.6
103.00640	0.7
109.02869	0.8
110.97572	4.7
112.99155	1.1
113.00903	1.3
116.98634	5.2
119.01912	5.1
119.04971	1.4
120.44102	0.6
121.01678	1.3
124.95502	2.7
124.99140	1.4
126.97142	0.8
127.02459	1.5
127.03927	0.7
128.98637	5.6
131.01920	2.9
133.03494	1.7
134.99658	1.6
137.01939	0.6
137.02882	0.7
140.98643	0.6
142.96504	3.1
143.00154	3.3
143.01886	3.8
145.03481	4.1
145.40617	0.6
146.99667	2.9
147.03397	0.9
147.04370	3.6
152.01463	0.9
152.95045	0.7
155.01918	2.5
156.98145	1.4
157.03561	1.7
158.99683	2.1
159.05069	0.7
160.97607	1.2
161.01260	1.9
161.02963	3.9
165.00781	2.2
167.01970	1.9
169.03558	1.3
170.96053	4.0
170.99702	1.4
173.01477	1.1
173.02989	4.6
174.99205	2.3
175.02760	0.7
177.00792	1.3
179.01968	0.9
184.97603	4.1
185.02928	4.3
185.04268	18.0
187.03021	0.8
187.04628	2.0
188.97084	6.6
189.00737	6.9
189.02376	1.0
190.98773	0.9
191.02231	0.7
191.03963	0.9
193.00244	3.6
193.53754	0.8
197.02995	2.4
201.00648	1.2
201.06123	0.9
202.04132	0.7
202.98656	4.3
203.05316	43.0
204.06100	0.7
205.00130	0.9
206.98161	1.9
207.01726	5.6
208.99741	0.9
211.04587	1.0
212.97108	2.0
215.04073	1.9
217.00235	3.1
218.94548	0.6
219.01770	1.6
220.99727	2.6
227.04030	1.0
230.98145	7.8
235.01079	1.4
235.06700	0.8
237.02763	1.7
237.06355	0.8
244.03479	1.2
244.99658	4.0
245.05090	11.4
247.01236	1.6
248.99347	1.7
249.02803	1.2
251.00737	0.8
251.04488	1.7
253.07748	0.8
255.03738	0.7
260.99341	0.9
263.00784	7.7
263.06183	2.3
267.03848	1.1
269.05420	4.1
275.00687	1.5
275.06061	1.0
293.01675	0.8
293.10757	0.8
303.09317	5.0
305.07242	1.4
321.10046	3.0
333.01144	1.5
333.05020	1.8
347.08475	1.6
351.06140	1.9
365.10635	100.0
366.10956	1.3
383.08694	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04766	2.8
53.03949	6.9
55.01873	9.2
55.05521	14.9
56.73359	3.1
57.03444	19.9
57.07086	5.7
57.37215	3.1
61.02929	12.4
67.05515	37.4
68.99828	3.0
69.03435	53.6
69.07082	16.6
69.37958	14.8
69.38384	8.6
71.01362	6.1
71.04989	13.5
73.02914	10.4
77.09235	2.8
79.05508	24.5
81.03413	24.0
81.07068	66.0
83.04988	13.4
83.08620	5.7
85.02916	100.0
87.04482	5.6
91.05493	34.5
93.07056	53.7
95.04974	13.0
95.08620	99.9
97.02913	35.2
97.06554	8.1
99.04462	14.6
103.03949	10.7
105.07037	64.2
107.04964	10.5
107.08606	56.5
109.02879	7.5
109.06527	7.1
109.10168	42.1
111.04467	9.6
111.08070	7.8
115.03927	8.0
115.05503	3.8
117.07034	15.2
119.08593	52.5
121.06509	9.8
121.10151	45.0
123.04433	10.6
123.08064	9.2
123.11720	52.5
125.09638	3.4
127.03938	32.9
128.06224	4.1
129.05487	12.0
129.07002	11.3
130.07732	6.3
131.08583	35.6
133.10150	50.9
135.08047	8.5
135.11690	23.2
137.06030	3.9
137.09622	9.0
142.07794	5.9
143.08577	19.7
145.04958	20.0
145.06577	4.3
145.10127	65.3
147.08037	4.7
147.11688	51.1
149.09671	7.8
149.13245	16.8
151.07565	6.7
155.08505	7.2
157.05006	8.5
157.10115	18.6
159.08043	7.2
159.11699	40.0
161.09647	6.6
161.13242	23.0
163.07433	3.3
163.11192	10.2
163.14731	3.4
169.10133	10.7
171.11707	13.9
173.09593	5.4
173.13268	13.9
175.11224	3.9
175.14856	7.1
177.12808	3.9
177.16385	3.8
181.10132	4.5
183.11717	8.1
185.13303	15.8
187.11243	4.3
187.14859	25.8
189.16388	32.6
191.10551	5.9
195.11719	4.3
197.13306	7.9
199.14864	6.3
201.12743	5.5
201.16388	49.5
203.10744	3.8
203.14574	3.4
203.17964	97.8
205.12376	3.9
213.16399	10.5
215.17979	33.5
219.17409	11.3
221.11653	5.6
221.18990	11.9
223.14877	4.0
225.16423	7.2
227.17935	22.3
231.17387	4.9
233.15405	6.3
243.13751	4.2
243.17467	6.1
245.19066	15.3
256.18307	3.3
257.19092	9.6
261.14896	14.3
269.18854	7.8
287.20120	9.5
299.20166	4.7
311.19940	10.2
329.21222	27.7
347.14874	4.4
347.22195	30.1
365.15939	8.9
365.23254	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17339	1.9
55.26985	1.5
56.96570	30.9
57.03431	2.6
60.95880	2.2
61.02929	5.1
61.39653	1.6
69.03430	6.6
70.98136	10.7
70.99847	2.3
71.04983	2.7
71.52144	2.8
71.95292	3.0
73.02929	2.1
76.96854	1.6
81.03426	7.0
82.99854	3.6
84.96036	5.3
85.02914	8.3
88.99170	3.1
89.00907	2.7
91.05490	6.4
97.02934	3.0
98.97592	55.4
98.98212	3.9
99.04468	3.3
100.00014	1.8
100.99150	3.4
101.00891	19.7
102.96897	3.3
103.00687	2.9
109.01399	2.9
109.02893	4.9
110.97579	15.6
112.99148	4.2
113.00891	8.1
115.00658	2.2
115.02477	4.1
116.98639	15.4
119.01948	21.9
119.04964	8.9
121.01661	2.1
124.95499	7.3
124.99118	5.7
127.02441	11.6
127.03943	4.1
128.98608	14.0
131.00204	2.4
131.01910	13.5
133.03513	4.7
139.02449	5.9
139.03888	2.2
140.98610	2.3
142.96573	6.4
143.00157	9.3
143.01910	14.4
145.03477	28.8
146.08093	3.0
146.99667	11.0
147.04369	20.8
152.95049	3.3
155.01898	9.8
156.02687	5.7
156.98090	4.0
157.01653	2.8
157.03503	17.9
158.99706	7.3
159.01425	3.4
159.05072	8.9
161.01241	2.9
161.02962	10.4
163.04521	2.6
165.00755	5.3
165.04065	2.3
167.01950	7.4
168.02724	3.9
169.03531	8.6
170.96005	12.2
170.99704	3.8
171.01436	3.4
171.05045	6.5
172.97653	3.2
173.01364	3.8
173.03008	12.7
173.06665	5.2
174.99203	10.3
175.02913	2.1
175.04625	5.9
177.00801	3.3
177.02501	6.6
177.04124	2.3
178.89552	1.8
179.01981	2.3
181.03421	2.8
183.05127	10.1
183.34920	1.9
184.97643	8.8
185.01300	3.7
185.02777	18.2
185.04430	12.2
185.06598	3.8
186.03848	3.0
186.99196	3.3
187.02850	4.2
187.04584	10.7
188.97079	15.0
189.00758	10.8
190.98683	3.1
191.03986	2.9
193.00223	7.3
193.03581	2.3
197.03008	5.7
197.06717	3.0
199.04630	7.7
201.00749	4.6
201.02695	2.2
201.06113	12.6
202.98650	9.3
203.03972	6.3
203.05466	32.6
205.00237	4.5
206.98206	2.8
207.01793	11.9
208.99631	2.5
209.02995	2.8
211.04543	5.7
212.97104	5.3
213.02422	2.7
213.06184	2.5
215.04146	2.0
217.00310	5.7
217.05659	5.3
219.01799	7.3
219.03630	3.8
220.99721	4.4
223.01247	3.7
225.02504	2.2
227.00423	6.0
227.04074	4.7
229.05658	2.9
230.98152	17.3
231.01773	2.5
233.03299	3.9
235.01213	10.4
235.06703	15.1
237.02802	7.0
237.06415	4.2
244.99748	7.0
245.05128	30.7
248.99268	4.5
253.05452	2.9
253.07703	12.3
254.99892	3.2
255.03880	2.9
255.07643	3.7
263.00836	19.3
263.06287	5.1
269.05371	2.9
275.06342	3.2
277.02393	5.1
277.07693	6.8
284.06927	2.8
287.02505	7.3
289.07852	2.1
293.02026	3.6
293.10992	8.1
295.08829	6.5
303.09283	67.8
304.09628	2.7
305.03659	6.9
305.07297	4.6
305.10687	2.8
321.04950	3.4
321.06201	2.9
321.10352	49.5
323.08044	2.0
329.07300	7.8
333.01349	2.3
333.05170	3.1
342.86981	2.1
344.11816	1.9
347.03894	3.2
347.08313	23.1
351.06146	4.2
365.10474	100.0
368.99683	2.1
383.08966	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	364.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.05511	1.7
57.03434	6.5
60.04517	3.4
61.02926	1.9
63.77501	1.2
64.20277	1.5
68.83642	1.2
69.03439	4.3
69.48717	5.1
69.49131	4.7
75.04489	15.4
77.59605	1.4
78.17212	1.3
79.05508	9.8
80.98771	1.3
81.03435	1.9
81.07061	10.1
84.53364	1.4
85.02915	12.4
87.04463	2.0
91.05486	9.7
93.07055	93.9
95.08614	4.7
97.02882	3.2
97.06602	1.7
98.20734	1.6
100.90630	1.4
105.07034	7.4
107.08603	3.9
111.08098	14.2
120.08234	1.4
121.10157	100.0
123.11709	2.6
125.06026	3.4
130.55930	1.4
139.11188	20.1
145.05045	3.3
149.09634	13.2
167.10695	39.9
344.20059	1.6
346.25931	3.3
364.26929	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	364.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75648	1.4
53.03939	2.7
55.01880	1.8
55.05514	3.3
57.03456	1.5
57.07074	1.4
58.45777	1.3
58.54589	1.3
59.04993	2.4
60.04528	1.8
67.05531	3.2
68.05023	2.4
69.03432	4.2
69.07060	5.5
71.53823	2.5
75.04488	3.2
79.05495	13.0
81.03416	2.3
81.07066	26.5
83.04978	1.7
83.08645	1.2
85.02921	9.5
91.05486	5.3
93.07056	47.8
95.04917	1.5
95.08612	14.9
97.02914	3.6
97.06551	4.5
105.07035	7.8
107.04947	2.2
107.08602	16.1
109.02878	1.9
109.10132	1.5
111.04399	1.6
111.08115	3.7
119.08601	2.2
121.10155	100.0
122.10416	1.5
123.08054	2.2
123.11717	23.6
125.05972	6.7
127.03927	2.2
129.96414	1.3
131.08577	2.9
139.11194	12.5
145.04997	1.5
147.11600	1.9
149.09637	17.4
167.10686	60.8
176.05579	3.0
181.36180	1.4
185.11755	5.4
186.13486	1.4
194.06624	2.8
202.08687	2.2
222.60701	1.3
304.25320	1.3
329.15909	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01216	0.9
56.96574	1.4
58.98734	0.9
69.03444	1.5
69.72185	0.9
70.50954	2.1
70.51302	1.2
78.04706	1.2
79.05454	1.1
81.03413	1.3
85.02892	4.0
91.05483	1.3
97.02876	1.3
98.97582	1.3
107.04922	1.5
119.04980	2.2
120.89627	0.9
121.09301	0.9
121.82318	1.0
123.04456	6.4
127.03967	2.1
129.74278	0.8
135.04469	2.1
137.09299	1.1
138.25259	0.9
140.51294	0.8
147.04404	4.5
147.22836	0.9
151.03891	1.6
152.04721	1.2
156.10197	1.4
159.08511	1.0
163.03970	3.7
167.07048	100.0
171.18092	0.9
184.09692	3.0
185.08084	1.4
202.10735	1.5
237.02997	1.1
250.73645	1.1
303.08817	1.7
314.97580	1.1
365.05786	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31594	0.7
53.03941	1.4
55.05526	1.6
57.03419	0.8
57.07088	1.2
59.04997	2.8
60.85153	0.6
61.02926	1.1
64.11345	0.7
64.63913	0.8
67.05496	3.2
69.03441	2.2
69.07076	1.1
71.53754	1.3
75.04475	1.8
79.05504	8.2
81.03429	1.0
81.06588	1.5
81.07063	26.5
85.02921	6.0
87.04487	1.0
91.05502	3.7
93.07054	18.6
95.05006	1.2
95.08617	13.8
97.02910	1.7
97.06525	3.2
105.00066	0.8
105.07045	5.9
107.04971	1.1
107.08611	6.8
109.06525	0.7
111.08065	1.4
119.08594	1.3
121.10155	100.0
122.10546	0.9
123.08099	1.0
123.11723	23.2
125.05994	5.6
127.03935	1.4
131.08594	1.3
133.07648	1.1
135.11674	0.8
139.11189	19.2
139.12221	1.1
145.04950	1.0
149.09634	10.4
167.10693	57.4
170.45404	0.9
180.08760	0.9
185.11777	3.7
262.88208	0.8
364.09424	1.4
364.14597	3.9
364.26996	0.8
365.15781	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	363.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.7
57.07068	3.0
67.05511	5.1
69.07076	10.3
69.29298	7.1
71.08617	1.5
73.06568	1.0
79.05497	2.6
79.25205	0.9
81.07066	8.7
83.05003	1.3
83.08615	3.2
85.06509	0.9
89.06020	4.7
91.05450	2.3
93.07060	6.3
95.08611	8.0
97.06506	1.3
102.81781	0.9
105.07026	3.3
107.08598	6.0
109.06534	7.8
109.10162	3.6
111.08087	2.5
119.08577	3.6
121.10136	4.0
122.07394	1.1
123.08081	50.1
123.11713	1.5
133.08647	1.0
133.10126	3.1
135.08072	3.7
135.11679	2.0
137.09641	4.3
147.11646	1.5
149.09587	1.0
149.13257	2.2
151.09654	2.6
159.11743	1.3
161.13164	1.1
177.12654	1.1
179.14330	11.2
191.14186	1.0
271.27460	1.1
275.20093	1.3
307.22723	8.3
331.26096	4.3
363.28961	100.0
364.29306	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	6.2
55.05506	25.2
57.07082	10.3
65.96936	5.6
67.05510	33.9
69.03419	12.8
69.07076	53.5
70.46309	8.8
70.46645	11.1
78.51797	5.4
79.05492	22.6
81.03419	21.9
81.07067	100.0
82.39932	6.4
83.08619	15.8
85.02931	13.8
85.06554	17.8
91.05486	16.8
93.07067	42.4
95.08614	83.9
97.06525	13.6
97.10184	12.5
99.08079	9.4
105.07030	21.0
107.04954	7.2
107.08628	40.7
109.02942	6.8
109.10158	43.4
111.08101	14.0
111.11736	10.1
119.08582	15.9
121.06564	6.4
121.10160	23.8
123.11707	36.3
127.11235	6.8
133.10123	11.6
135.11696	23.7
137.09586	5.7
137.13249	30.6
145.10130	9.6
147.11720	7.3
149.13295	26.8
153.12758	19.1
161.09535	6.9
163.14822	9.7
168.45053	6.3
169.10095	8.7
171.11710	6.5
177.05518	6.7
183.02896	10.1
196.18921	5.9
200.68304	5.8
279.27008	7.0
282.99084	6.8
291.26883	16.4
309.27899	27.2
345.12845	6.7
363.17822	8.8
363.21765	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	363.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
55.01869	5.5
55.05516	18.9
57.03427	3.5
57.07055	11.6
67.05510	27.5
69.03419	6.0
69.06725	4.6
69.07075	44.0
69.49411	25.7
69.49754	5.7
71.04995	8.0
71.08631	4.5
75.77038	3.9
77.68109	3.4
79.05476	16.6
81.06600	5.2
81.07063	100.0
83.04946	4.2
83.08610	18.6
85.02894	12.4
85.06534	12.7
91.05493	8.1
93.07051	33.5
95.04953	4.8
95.08618	76.7
97.02900	6.3
97.06516	9.4
97.10155	7.2
98.20753	4.3
98.97583	3.9
99.08114	6.3
100.79889	3.3
105.07035	20.6
107.08601	30.9
109.02843	3.7
109.09473	4.6
109.10164	43.8
111.08062	14.8
111.11707	9.5
112.81213	3.6
119.08620	17.3
121.10142	23.8
122.12180	3.8
123.11715	38.3
125.09692	4.3
131.85590	3.7
133.10120	8.1
135.11690	14.9
137.13266	25.7
139.11287	3.8
143.08496	6.2
143.68576	3.8
145.10065	6.3
147.11681	12.7
149.13239	14.8
153.12750	19.1
155.14288	6.8
159.11664	6.1
161.13283	7.7
163.14833	8.0
165.12762	14.9
167.14359	4.8
171.13821	3.9
173.09612	4.2
177.16376	6.3
183.02789	4.2
183.12053	3.8
183.13867	6.3
187.14847	4.2
191.54167	4.6
202.12491	3.8
241.74004	4.0
258.02390	3.6
273.25693	8.5
279.26694	4.5
291.26782	27.2
297.27814	6.5
309.27844	15.9
327.28894	7.8
363.26334	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	363.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.05502	8.2
67.05497	11.8
67.57640	2.9
69.07059	6.4
70.97702	5.1
71.82222	2.6
79.05498	25.1
81.06592	5.4
81.07059	100.0
83.04971	6.8
83.08619	3.3
91.05470	12.0
93.07047	25.8
95.04939	3.6
95.08614	23.6
97.24323	3.0
101.40974	3.2
105.07054	28.1
107.08597	23.2
109.10118	10.2
117.07001	4.4
119.08608	22.8
121.10186	15.2
123.11674	3.9
130.07785	3.8
131.08557	12.6
133.10123	15.6
135.08089	3.5
135.11667	5.2
143.08565	8.7
145.10143	16.9
147.11665	6.5
149.13216	7.4
155.08580	3.6
157.10104	6.3
159.11681	12.8
161.13284	5.6
169.10213	4.8
171.11673	7.8
173.13278	9.0
175.14809	6.0
183.11685	5.9
185.13319	7.9
187.14771	7.0
197.13214	6.3
199.14748	6.2
201.16359	6.3
208.88512	2.8
217.21297	3.2
220.42036	3.2
255.21227	4.3
257.22635	5.9
267.21176	4.3
270.84363	2.8
285.22192	14.0
301.02496	2.9
303.23123	6.6
345.24185	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	363.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.05506	5.1
56.98368	3.2
67.05498	5.6
69.80197	15.3
79.05497	29.4
81.07063	100.0
83.04979	17.6
91.05458	11.8
93.07057	15.7
95.08604	18.4
98.20780	3.5
105.07038	21.0
107.08595	21.8
109.10162	10.2
111.46770	2.7
113.98157	3.4
117.07016	5.1
119.08574	15.8
121.10149	8.4
129.07030	3.1
129.65376	3.3
131.08588	10.3
133.10129	14.4
135.11707	4.7
142.07739	3.9
143.08553	8.5
145.10179	15.4
147.11670	6.8
149.13327	3.5
155.08554	5.4
157.10112	10.9
159.11714	10.3
163.89334	2.9
169.10069	4.9
171.11639	11.3
171.17815	3.2
173.13181	3.3
175.14795	4.5
183.11671	4.2
185.13245	7.0
187.14850	3.9
197.13297	4.2
199.14922	4.3
211.14900	5.4
225.16426	3.8
227.17978	8.1
267.21045	7.6
285.22263	14.6
285.24911	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	363.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	9.1
67.47691	2.2
69.03432	5.8
71.52839	3.1
76.25000	2.1
85.02914	4.7
91.05523	4.8
97.02901	3.6
98.97584	20.2
113.24746	2.6
116.98634	8.7
117.05714	3.0
118.06547	10.6
119.04953	2.8
129.07024	11.5
130.06519	27.2
139.03889	15.8
142.06549	19.9
146.05981	4.0
147.04402	14.0
154.06586	3.6
155.07286	9.0
156.08093	98.8
158.06044	4.1
158.09636	19.8
158.99709	3.2
159.09212	8.7
161.04781	2.2
163.03888	6.4
167.07249	8.5
168.08105	4.7
177.00752	5.4
182.08244	3.8
182.09663	24.6
183.06776	3.1
184.06032	4.5
184.07593	66.8
185.10713	3.7
188.04221	2.6
200.07094	2.6
200.10751	25.3
201.07857	7.9
202.08618	32.7
207.01814	5.6
208.07591	4.2
210.09073	5.7
212.07091	4.1
226.08633	19.2
226.55072	2.2
228.10216	12.2
229.09695	11.4
231.11398	2.9
246.11253	21.3
247.10774	100.0
254.08258	3.7
258.07401	2.9
272.09177	24.5
275.10272	6.3
290.10239	87.0
299.10129	4.0
319.12897	8.6
363.12030	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	363.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51318	0.2
62.06116	0.3
69.66833	0.3
69.99916	0.6
70.00312	0.6
74.06080	0.3
79.05507	0.7
79.46027	0.3
81.07081	1.9
82.07397	0.4
87.27241	0.3
88.07662	0.5
89.93232	0.3
91.05511	1.1
93.07065	0.5
105.07036	0.6
107.08621	0.6
108.54255	0.3
115.05481	1.0
117.05788	0.5
117.07020	2.0
118.06560	30.4
119.08604	0.6
121.74393	0.2
130.06520	0.5
131.08569	0.6
132.08078	2.3
132.08841	0.3
133.08879	1.0
133.10272	0.4
142.06554	2.0
143.07335	2.1
144.04521	0.3
144.08099	12.2
146.06032	47.5
146.09608	1.6
147.10536	0.4
152.10713	0.3
160.07594	0.8
170.06055	4.1
176.14371	100.0
177.14705	1.2
188.07094	30.3
204.10275	0.3
216.13837	0.8
234.14900	1.7
256.51514	0.3
325.96323	0.3
363.20584	29.3
363.27194	10.9
364.21030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.253
Annotation	Flaccidoxide
Peak:m/z	Relative Intensity
50.90007	2.4
53.03947	6.6
53.42106	2.5
55.05526	6.0
65.03958	2.9
67.05501	11.1
69.07063	10.5
70.19218	9.9
79.05511	25.3
81.06590	5.3
81.07060	100.0
83.04986	12.4
83.08632	2.5
91.05477	16.2
93.07052	26.0
95.05003	4.3
95.08611	26.8
98.20909	3.6
105.07029	29.3
106.07283	2.6
107.08599	23.7
109.10175	10.0
117.07001	5.5
119.08578	18.6
121.10146	16.1
123.11752	4.2
130.07794	3.7
131.08580	10.4
133.10127	14.4
135.11707	12.2
137.09538	3.3
142.07860	4.2
143.08566	10.8
144.60303	3.1
145.10132	19.3
147.11685	14.8
149.09671	3.4
149.13289	9.1
157.10156	14.9
159.11690	12.7
161.13260	6.5
163.14755	4.1
167.10780	2.9
169.10133	5.6
171.11720	9.1
173.13283	5.8
175.14803	6.9
183.11707	6.6
185.13232	5.5
187.14803	3.3
189.16510	3.0
197.13287	4.8
199.14902	4.3
201.16376	4.7
203.14450	5.1
211.14792	6.4
227.18015	9.6
257.22662	4.4
267.21228	9.7
285.22156	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	362.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01870	1.6
57.03429	1.4
59.35880	0.9
60.04535	5.2
61.02918	2.6
62.46570	0.9
69.03436	6.6
69.61989	2.8
69.62399	1.9
71.05009	1.3
79.05503	2.9
81.03408	2.8
81.07070	1.1
81.46533	0.8
85.02912	24.2
87.04457	1.0
91.05487	1.1
93.07044	1.8
95.08618	1.4
97.02911	5.7
98.20852	1.5
99.04478	1.0
103.05447	1.2
105.07043	17.9
107.08601	0.9
109.02949	1.7
109.06529	1.2
119.08587	2.0
122.03703	1.5
123.04416	2.0
127.03947	4.5
132.93092	0.8
133.06506	47.2
137.05991	100.0
139.11194	0.9
145.04993	4.5
147.08070	1.2
151.07578	1.0
165.09126	39.6
166.26324	0.9
180.08673	1.9
183.10179	49.6
191.66136	0.9
200.13547	1.4
224.42827	0.9
287.10959	0.8
319.04398	1.0
326.23260	2.5
344.24222	2.6
362.07553	1.0
362.12070	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
55.01861	0.3
56.73055	0.4
57.03425	0.3
60.04516	0.4
61.02918	0.8
65.73392	0.3
67.05494	1.0
67.07883	0.3
69.03437	2.7
70.06596	0.8
71.04977	0.6
71.53500	0.6
74.06040	0.3
79.05497	0.7
81.03396	0.6
81.07035	0.8
84.08135	0.4
85.02442	0.6
85.02914	7.7
86.09690	1.4
91.05500	1.7
93.07021	0.4
95.08624	1.0
97.02889	1.9
98.97548	0.4
107.04983	0.7
109.02889	1.1
109.10168	3.1
117.06962	0.3
119.08604	2.3
123.04439	1.5
123.08054	0.6
127.03912	1.5
129.07013	0.4
132.05736	0.5
137.05963	1.5
137.09605	3.3
139.03931	0.7
145.04982	1.3
147.08058	3.6
149.06007	0.4
163.03943	1.8
165.09123	100.0
166.09427	1.0
167.07089	0.4
178.05006	1.0
179.10658	0.5
180.08679	0.8
183.08214	0.5
183.08482	0.6
183.10176	4.9
188.03804	0.7
189.07509	0.5
189.09058	2.5
200.12813	0.4
206.04539	1.0
207.08134	0.8
207.10188	1.0
213.09288	0.3
231.10112	0.7
235.07445	0.7
239.07121	0.6
281.08206	0.5
291.12296	1.4
298.10727	0.4
316.12097	0.4
362.18805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58901	2.2
53.03941	4.6
55.01873	3.4
55.05512	7.5
57.03421	2.8
57.07088	3.4
60.04533	3.8
61.02932	5.5
67.05510	13.3
69.03435	7.5
69.07080	6.4
71.04998	4.3
71.53894	4.2
72.08142	4.2
79.05497	39.9
79.05922	4.0
81.03452	3.2
81.07062	30.3
83.04955	2.9
85.02913	37.3
91.05476	34.2
91.05947	3.1
93.07053	26.2
95.04995	4.0
95.06117	2.2
95.08612	20.8
97.02907	9.0
103.05488	2.7
105.07044	56.9
107.08605	100.0
108.08997	2.4
109.06557	7.1
109.09497	2.4
109.10184	9.2
117.07042	2.9
119.08594	30.8
121.10173	9.0
123.11723	5.5
127.03956	7.3
130.06508	2.7
135.11781	2.8
137.06087	3.1
137.13295	9.0
145.04991	9.8
147.11697	69.5
149.13303	4.0
155.08528	3.1
158.06006	2.8
165.12770	16.7
169.12325	3.0
211.11462	2.8
212.12122	2.9
221.09259	3.2
262.04269	4.0
284.95264	2.5
362.16263	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	361.2373
Annotation	Jolkinol D
Peak:m/z	Relative Intensity
55.05518	6.9
64.70905	3.2
67.05499	11.4
68.38974	3.0
69.07066	6.6
69.83617	6.0
69.84026	14.4
79.05511	22.0
81.07069	42.2
81.85777	3.2
83.08610	4.4
84.93650	4.1
91.05494	11.8
91.53413	3.5
93.07050	34.9
95.04958	10.4
95.08619	24.7
105.07046	22.7
107.08603	45.8
109.06518	48.9
109.10149	13.4
113.06013	11.9
119.08628	17.5
121.06521	37.8
121.10149	18.9
123.08067	12.2
123.11723	13.6
129.07022	4.8
131.08580	14.3
133.10136	13.4
135.08049	13.2
135.11668	16.6
137.09663	8.1
137.13297	8.1
143.08569	10.3
145.10124	19.0
147.08051	6.6
147.11710	12.3
149.09639	7.5
149.13269	44.1
151.07553	11.3
157.10179	10.5
159.11745	12.6
161.09654	8.2
161.13255	11.3
169.10205	4.1
171.11700	10.2
173.09613	6.7
173.13297	5.5
175.11177	6.7
185.13297	6.1
187.11191	4.9
187.14827	8.2
189.16495	4.1
195.11650	3.5
197.13289	4.7
199.14775	11.9
201.12642	7.7
201.16469	6.5
203.14360	3.6
203.17972	4.2
227.14308	5.8
245.19026	41.8
253.19531	3.8
255.20943	5.2
259.20370	3.7
271.20627	13.0
273.22156	4.4
283.20618	25.1
301.21628	24.5
301.58829	3.6
314.71683	3.8
319.22726	100.0
343.22726	72.6
349.25299	3.6
351.16599	4.3
361.23581	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	361.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.6
55.05505	20.1
57.07042	9.0
67.05502	39.8
69.03418	9.5
69.07072	56.3
69.73762	8.4
71.54085	11.1
79.05491	29.2
81.03405	12.1
81.07064	100.0
83.04981	19.5
83.07265	7.4
83.08588	20.1
84.08135	10.3
85.02888	16.2
85.06532	12.7
91.05463	36.2
93.07044	57.6
95.04936	16.1
95.08165	7.4
95.08624	84.4
97.10179	10.2
103.05489	9.9
105.07034	45.8
107.04939	28.1
107.08565	36.9
109.06497	11.4
109.10158	52.3
111.04377	8.2
113.09621	12.5
119.08548	27.9
120.80840	7.1
121.06487	21.0
121.10106	33.1
123.11693	30.3
126.11629	8.5
129.06999	21.8
131.04875	10.8
131.08566	17.3
133.10100	31.0
135.11685	24.8
137.05977	9.7
137.09584	12.6
137.13242	18.2
145.06403	8.0
145.10144	16.6
147.04482	9.6
147.11693	15.1
149.13228	19.6
153.99463	9.6
157.06451	17.2
159.11656	13.8
159.29352	8.7
161.05957	18.7
161.13283	9.3
163.07565	15.9
163.14766	9.8
163.40459	7.4
165.09111	13.7
165.12796	8.1
167.07088	47.9
167.08363	11.7
169.10083	8.6
173.09521	8.1
176.55342	8.2
177.16409	10.1
181.08604	52.3
189.09123	52.6
195.08073	10.1
197.09483	8.4
199.16933	9.6
208.08769	8.7
225.09036	13.5
227.07027	11.1
257.11765	13.8
271.24127	19.0
283.09732	9.9
283.13248	8.5
285.11105	21.4
289.25058	13.8
315.12213	16.7
317.13828	15.4
330.09094	8.7
343.15366	11.1
351.21127	9.4
361.16141	12.3
368.83609	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	361.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.3
53.81211	5.5
54.15858	5.8
55.05501	17.2
55.16867	5.6
57.07075	13.7
65.14061	5.1
67.05520	37.0
69.03401	6.1
69.07073	31.3
71.05000	15.5
71.08658	6.7
71.11598	13.0
74.87557	5.6
79.05514	28.6
81.07059	100.0
83.04975	6.4
83.08623	25.4
85.02924	7.2
85.06535	12.3
91.05480	16.6
93.07049	50.8
95.04952	9.6
95.08621	89.6
95.09476	6.1
105.07033	25.5
107.08591	46.1
109.02856	7.0
109.06516	11.0
109.10157	58.0
111.08060	7.7
111.11721	6.5
119.08562	22.2
121.10171	26.3
123.11707	24.2
125.09641	8.6
127.11194	10.7
131.08525	10.4
133.10129	23.1
135.11682	18.5
137.13260	11.5
145.10094	12.5
147.04376	8.6
147.11682	17.2
149.13245	38.9
149.61020	6.2
159.11687	14.2
161.13327	7.7
174.96988	8.8
175.14832	10.0
177.16412	8.7
179.51443	5.7
199.14746	7.9
235.04657	6.7
249.57640	6.4
253.60576	6.1
260.96799	6.8
289.25281	16.3
307.26340	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	361.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72247	0.9
52.34704	1.1
53.03942	4.7
55.01882	1.5
55.05516	6.5
55.96563	0.9
57.07066	2.1
58.41406	0.9
65.03927	1.3
67.05512	8.0
69.03416	1.1
69.07076	7.5
70.62466	1.9
71.04976	1.0
79.05497	31.4
81.07063	100.0
82.07389	1.1
83.04984	2.4
83.08597	1.8
91.05492	11.1
93.06483	1.4
93.07047	17.1
95.04961	5.6
95.07999	1.0
95.08609	16.5
97.06535	10.3
99.08086	2.5
105.07039	18.6
107.04937	1.2
107.08598	16.3
109.06538	5.0
109.10149	6.6
115.05454	1.5
117.07001	4.7
119.08590	22.9
121.06492	5.0
121.10167	7.2
123.08072	4.1
123.11700	1.9
125.09568	1.0
128.06227	3.5
129.06982	5.1
130.07819	1.5
131.08571	13.1
133.06509	1.9
133.10138	10.3
135.08061	3.6
135.11697	3.6
137.09625	2.1
142.07777	4.2
143.08565	13.5
144.09323	2.8
145.10141	18.5
147.08028	4.4
147.11699	8.2
149.09625	2.3
149.13266	1.6
155.08554	5.2
156.09352	3.6
157.10139	12.5
158.10927	1.3
159.08060	2.9
159.11714	14.0
160.08888	1.1
161.09628	4.1
161.13258	6.9
163.11137	1.5
165.06940	1.6
165.09178	1.1
167.08543	2.4
168.09337	1.1
169.10147	6.3
170.10849	2.1
171.08047	1.7
171.11697	9.4
173.09689	2.1
173.13248	7.5
175.11218	3.3
175.14870	3.4
177.12732	1.1
179.08589	1.4
181.10095	4.6
183.11694	7.3
185.09595	1.4
185.13284	14.1
187.11205	2.8
187.14793	5.3
189.12773	2.1
193.10144	1.6
194.10962	1.5
195.11615	3.1
196.12428	1.1
197.13278	3.5
199.11159	2.4
199.14838	7.2
201.12787	3.1
201.16425	2.9
203.14389	4.7
208.12450	1.2
209.13237	6.1
210.14084	1.2
211.14809	2.6
213.12749	2.4
213.16336	2.8
215.14343	1.9
221.15428	1.0
223.14798	2.8
224.35181	0.9
225.16386	5.5
227.14331	5.7
229.26833	0.9
239.17938	3.4
241.15851	1.9
241.19527	6.3
243.17632	1.7
255.21097	4.6
265.19531	5.8
277.20932	0.9
283.20560	14.5
301.21585	8.8
319.22543	1.2
343.22766	3.5
360.66330	1.5
361.23843	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	361.2372
Annotation	Jolkinol D
Peak:m/z	Relative Intensity
55.05524	22.4
67.05500	22.2
69.03440	6.1
69.07063	17.2
70.69186	8.1
77.83762	4.0
79.05498	42.4
81.07055	100.0
82.49722	4.7
83.08615	9.4
91.05482	21.8
93.07053	51.6
95.04956	6.2
95.08609	43.0
97.06516	26.2
97.71947	4.7
99.08096	14.1
105.07046	60.4
107.08604	46.7
109.06533	19.0
109.10169	24.0
111.08125	8.1
117.07019	14.8
119.08582	47.5
121.06512	18.5
121.10166	23.0
123.08067	11.6
123.11729	9.0
125.09673	5.9
128.06229	11.8
129.07004	12.2
131.08594	26.8
133.10115	29.2
135.08006	11.5
135.11703	11.0
137.09642	7.7
141.06906	6.5
142.07820	10.7
143.08559	45.1
145.10144	47.2
147.08080	13.3
147.11664	24.5
149.09596	9.8
149.13249	8.1
151.11201	7.6
155.08504	9.2
156.09297	7.7
157.10153	45.1
159.08031	7.2
159.11728	30.6
161.09615	11.3
161.13228	5.9
163.11174	5.3
165.09190	6.8
169.10107	12.4
170.10902	5.4
171.11700	20.7
173.13274	14.9
175.11211	13.9
175.14781	7.9
181.10152	10.7
183.11703	13.9
185.13254	36.7
187.11227	10.2
187.14769	10.0
189.12675	6.1
194.11063	4.9
195.11641	7.5
197.13278	5.8
199.14871	30.5
200.70789	4.4
201.12718	12.7
201.16415	11.7
209.13252	20.0
211.14952	6.5
213.16397	6.2
223.14806	5.4
225.16431	14.3
227.14296	20.4
241.19572	20.3
243.17352	14.0
245.15344	9.0
255.21095	19.6
265.19513	15.2
283.20599	52.8
285.77505	5.0
301.21674	51.8
319.22668	17.8
343.22672	9.7
361.23755	15.7
373.76324	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	361.2376
Annotation	Jolkinol D
Peak:m/z	Relative Intensity
55.05523	33.6
57.07057	6.4
67.05511	21.3
69.03425	11.6
69.07065	16.6
71.04996	4.2
71.41467	4.3
73.06555	9.0
79.05496	25.1
81.07063	57.1
82.56316	4.5
83.04995	10.1
83.08623	7.6
91.05501	22.1
93.07051	48.3
95.04978	7.1
95.08597	35.8
97.06570	19.1
99.08099	29.8
102.78226	4.6
105.07048	46.1
107.08599	34.4
109.06520	11.0
109.10165	23.2
117.07013	14.4
119.08595	33.7
121.06501	15.6
121.10201	21.0
121.11003	5.2
123.08099	7.8
123.11691	8.7
125.09626	6.5
129.07021	14.5
131.08551	28.1
133.10120	31.7
135.08083	10.7
137.09579	10.0
141.07031	5.7
142.07790	7.6
143.08560	41.0
145.06360	4.2
145.10121	40.5
147.08064	21.4
147.11702	21.8
149.02379	4.4
149.09645	39.1
149.13292	8.7
151.11211	14.3
155.08553	4.7
156.09344	10.2
157.10133	31.6
159.08057	8.6
159.11688	30.1
161.09651	14.4
161.13307	6.4
163.11172	11.9
169.10159	20.3
171.11674	18.7
173.09712	4.6
173.13324	19.2
175.11229	16.2
175.14864	7.2
179.08585	6.7
180.09474	4.0
181.10159	11.2
183.11670	19.2
185.13307	41.7
187.11151	19.1
187.14775	8.6
189.12802	14.8
193.04947	6.4
195.11765	10.0
196.12354	4.1
197.13329	9.7
199.14786	19.3
201.12846	9.8
201.16408	10.4
203.14299	12.6
209.13339	11.0
211.14815	12.2
213.12721	6.7
213.16412	7.0
215.66483	3.5
217.16014	5.4
223.14832	11.2
225.16437	17.5
227.14383	15.7
227.17978	4.9
229.15910	6.1
239.18001	6.6
241.15802	9.8
241.19608	13.3
243.17487	32.9
245.15405	36.1
246.67363	4.3
247.17146	7.1
255.21136	14.3
259.20779	5.3
265.19513	18.9
283.20599	100.0
284.20776	5.6
286.50064	4.2
301.21625	88.4
315.18951	4.1
319.22623	9.1
343.22717	6.5
361.19724	6.5
361.23755	28.5
361.28946	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	361.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	1.9
53.03945	4.1
55.01873	3.4
55.05502	6.8
57.07072	3.3
67.05521	12.3
68.40430	1.8
69.03445	2.5
69.07075	12.9
70.60054	1.6
71.04974	3.5
71.22926	4.0
78.04697	2.2
79.05495	14.8
81.07061	27.3
83.05000	4.6
83.08613	4.4
85.02882	2.4
85.06531	2.6
91.05486	25.9
93.07063	21.4
95.04973	10.0
95.08157	1.8
95.08626	22.7
97.06548	3.4
97.10137	2.0
103.05470	11.7
105.03429	2.5
105.07047	15.5
106.04200	1.9
107.04958	34.0
107.08567	10.9
109.06551	3.5
109.10164	12.2
111.04468	1.7
115.05503	3.9
116.06297	2.1
117.07021	5.2
119.04932	8.4
119.08586	6.9
120.05745	2.3
121.06518	23.4
121.10135	8.3
123.04414	7.9
123.08064	3.0
123.11700	7.8
124.05204	4.4
125.05975	4.1
128.06235	7.3
129.07019	27.9
131.04916	7.5
131.08580	12.5
132.05702	2.4
133.02919	2.9
133.06488	3.3
133.10150	2.8
135.04361	3.2
135.08040	10.0
135.11681	6.3
137.05977	19.4
137.13283	4.1
141.07005	2.9
143.08556	2.2
144.05714	2.5
145.06496	5.7
145.10124	2.3
147.04420	5.6
147.11690	3.7
148.05214	2.2
149.06042	8.7
149.13240	3.8
151.03961	4.8
151.07526	16.4
152.04712	5.7
152.06175	3.5
153.05498	15.2
153.06712	2.6
153.12677	2.8
154.07805	2.1
155.08287	2.1
157.06496	20.8
158.07269	2.5
159.08067	3.4
159.11751	3.2
161.06004	28.7
161.09615	10.8
163.07547	20.3
163.14911	2.2
165.07004	7.4
165.09158	11.3
166.06279	13.9
166.07637	3.8
167.07066	64.6
167.08447	3.7
174.06792	10.9
175.07536	10.3
177.05457	2.5
177.06950	3.0
177.09137	9.3
178.07773	3.0
179.07066	4.0
179.08563	5.7
179.10770	2.5
181.05043	2.8
181.06416	4.0
181.06744	3.0
181.08612	100.0
182.07256	8.3
183.08011	4.7
189.09123	83.2
190.07832	2.4
191.08714	3.6
191.10576	4.0
193.06586	4.8
193.08537	3.0
194.07278	4.4
195.08073	12.6
197.05884	3.1
197.09654	10.6
199.07544	3.9
203.10718	1.9
205.06535	3.4
207.08206	3.8
207.10170	14.7
208.08888	4.3
210.06757	7.0
211.07597	3.5
219.08080	5.2
221.06036	3.8
221.09613	2.3
222.06761	3.5
223.07510	7.6
223.11227	3.9
224.08263	5.4
225.09079	18.3
227.07016	4.1
229.12263	3.9
235.07382	3.2
236.08342	2.9
237.09270	3.8
239.06877	4.7
239.10747	4.3
240.07806	4.6
242.09332	4.1
247.07549	3.4
251.07034	5.2
251.10640	7.4
253.08664	13.4
254.09497	2.8
255.06485	3.1
255.10097	7.5
257.07968	2.3
257.11691	16.8
259.09738	2.9
264.08002	2.2
265.08591	2.7
267.10052	3.5
269.08063	3.3
270.08926	3.6
271.13211	2.9
279.10101	5.7
283.09641	12.6
283.13202	10.4
285.11185	37.3
289.25464	2.6
297.11169	5.3
299.08972	3.3
299.12650	4.1
300.09909	2.2
302.11475	5.2
305.13760	2.0
307.26117	3.0
311.12601	8.3
315.12183	20.3
315.15204	2.7
317.13840	29.0
325.28342	2.0
329.13470	6.3
331.15286	6.0
343.15344	14.0
345.76401	2.1
361.16193	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	361.1494
Annotation	Cachineside I
Peak:m/z	Relative Intensity
53.03944	1.6
55.01877	1.7
55.25960	0.8
59.89570	0.9
65.82966	0.8
69.03422	1.2
70.78638	2.4
73.74918	0.7
79.05497	7.8
81.07053	2.1
83.60670	0.7
85.02905	2.2
91.05464	5.4
93.07051	13.1
95.04996	1.5
95.08632	1.4
97.02866	1.1
97.06544	1.8
97.42496	0.9
97.72904	0.9
99.32875	0.8
103.05473	1.2
107.04997	0.9
111.08115	1.3
119.04942	0.9
121.06522	19.3
123.04392	1.2
123.08060	7.8
139.07550	16.2
145.08026	0.8
147.04401	3.0
149.06013	11.2
167.07054	100.0
168.07532	1.1
169.02643	1.0
185.08154	2.0
192.74779	0.8
199.09680	27.8
199.11531	1.8
215.05272	1.2
236.33124	0.8
248.74300	0.8
291.37543	0.8
343.08029	1.0
361.08887	3.0
373.19458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32205	2.3
53.03943	5.5
55.01860	7.6
55.05497	6.6
57.03421	5.0
61.26549	2.8
65.03936	3.5
65.50314	2.4
66.43120	2.4
67.05511	14.8
68.58153	2.4
69.03415	8.2
69.07063	11.6
71.04988	6.0
71.52832	4.3
72.95265	2.8
79.05501	20.6
81.03384	5.9
81.07059	26.0
83.04977	4.5
83.08617	5.4
85.02911	17.7
85.06520	10.5
91.05486	28.8
93.07038	25.6
95.04951	8.4
95.08607	11.2
97.02907	5.8
97.10174	2.4
98.06048	4.1
103.05460	15.9
105.07044	16.7
106.04163	3.0
107.04961	37.9
107.08580	11.0
109.06535	7.5
109.10147	11.7
111.04433	3.7
111.08121	6.8
113.09531	2.8
115.05490	4.6
116.06378	3.6
116.07087	20.9
117.06995	7.1
119.04925	8.5
119.08564	8.4
121.06516	24.1
121.10131	7.6
123.04428	8.2
123.11729	7.4
124.05238	6.8
127.03873	4.2
128.06197	9.2
129.07019	28.8
131.04913	10.5
131.08603	14.5
133.06477	5.5
133.10146	3.9
135.08038	11.7
135.11691	3.7
137.05995	32.7
143.04900	2.9
143.08574	3.5
145.04987	5.3
145.06502	10.2
146.07278	5.1
147.04370	7.3
147.08054	4.6
147.11670	4.5
148.05164	4.4
149.06049	6.9
151.03946	7.2
151.07558	24.0
152.04701	6.1
153.05453	13.5
153.07036	3.3
157.06506	26.7
159.08031	3.3
161.05997	51.3
161.09630	18.4
163.07574	23.0
163.11192	4.7
163.14818	18.2
165.07007	8.0
165.09114	11.3
166.06235	11.9
166.07545	3.6
166.68770	2.9
167.07071	75.8
167.08456	6.4
173.11693	5.2
174.06746	13.2
175.07532	12.3
177.06966	3.0
177.09116	10.9
178.07690	3.1
179.07066	6.0
179.08525	6.4
179.17891	2.9
181.08612	100.0
181.15849	9.1
182.07294	7.1
183.08144	3.0
189.09116	95.3
191.08592	6.9
191.10602	3.5
193.06496	5.0
193.08594	2.9
194.07242	7.1
195.08038	10.7
197.09569	8.7
199.07523	4.8
199.16946	17.5
207.08235	5.9
207.10135	31.7
208.08849	5.0
210.06740	7.7
211.07620	4.7
219.08083	5.5
221.05893	6.4
223.07614	13.9
223.11194	4.9
224.08466	3.8
225.09122	20.4
227.07083	6.2
227.10724	3.2
229.14330	3.3
235.07567	5.1
236.08398	4.9
237.09006	3.4
239.07034	6.3
239.10799	3.9
240.07880	6.3
247.07564	6.3
251.10683	8.8
253.08662	13.4
255.06516	5.4
255.10207	7.7
257.11813	17.8
264.07944	3.1
265.08575	4.8
267.06409	4.2
267.10455	3.5
268.07462	3.3
269.08087	4.1
270.08887	6.1
279.10141	7.6
281.08157	5.6
283.09494	15.9
283.13135	7.2
285.11191	44.9
287.12769	8.4
297.11313	4.6
299.12750	5.5
302.11319	5.0
311.12784	12.0
313.14288	3.5
315.12350	20.8
317.13889	24.7
331.15417	7.5
343.15363	15.6
361.16095	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.1
55.05514	1.6
64.71445	0.9
67.05518	1.4
68.05017	1.6
69.03420	3.4
69.07056	1.1
70.06583	1.1
71.04991	2.1
72.08154	2.5
79.05482	2.1
80.05002	1.7
80.20015	1.0
81.03376	1.0
81.07050	3.0
82.06583	1.1
84.04542	1.7
85.02917	5.4
91.05482	3.9
93.07055	2.4
94.06552	1.8
95.04964	1.3
95.08631	1.8
96.04494	9.8
96.79317	1.0
97.02891	7.2
99.04468	8.7
103.05475	1.8
104.05021	1.1
105.07014	1.8
107.04959	3.7
107.08578	1.9
108.04503	2.3
109.06503	1.2
109.10159	1.3
110.06055	7.8
113.02395	7.3
114.05526	3.5
115.05445	2.8
118.06557	2.1
119.04974	2.6
121.06491	1.8
121.10124	1.4
122.06023	1.5
123.06770	1.4
124.03942	10.7
126.05538	3.3
127.03931	1.5
128.04994	2.3
129.06975	2.1
130.06538	100.0
131.04936	2.0
132.04459	21.0
132.08086	6.0
133.10092	1.6
135.08098	1.4
137.06006	10.1
138.05482	2.8
142.06558	1.2
145.06516	1.0
146.06023	39.8
147.04459	1.5
147.07683	3.3
151.07550	6.4
152.03433	5.7
153.05403	1.3
154.04997	3.5
156.04456	1.5
157.06483	1.3
157.07628	6.1
158.06021	83.5
160.07578	13.8
161.05997	8.8
161.09578	2.6
163.07547	3.7
163.11177	1.5
164.11530	2.2
167.07063	2.0
170.04503	5.4
172.03954	1.2
173.07069	5.8
174.05515	13.5
174.07924	3.4
175.08675	11.3
176.07051	1.3
181.08591	3.8
184.06110	1.6
184.07579	2.3
189.09126	7.9
197.07123	1.7
198.03973	3.3
199.08687	21.5
199.13268	1.4
202.04854	1.6
204.06561	1.4
207.10143	4.2
215.50255	1.0
216.05020	4.8
221.09276	3.6
223.08830	2.2
225.10335	5.3
233.58560	1.0
235.08687	3.9
237.10304	1.6
241.09798	2.4
245.09251	2.7
251.08202	7.5
253.09770	30.7
255.11232	1.8
269.09268	6.6
271.10794	4.2
279.07581	1.7
281.09171	2.5
285.11411	1.2
287.10190	2.6
287.12894	2.5
297.08728	28.7
299.10233	3.9
313.14380	2.4
315.09744	96.5
316.10211	3.1
317.11237	2.7
333.07349	1.7
333.10910	5.0
343.09213	9.3
361.10321	91.5
362.10611	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50835	4.8
51.53507	4.7
55.01851	7.8
55.05272	5.5
55.05503	35.1
59.83142	5.3
59.90917	6.0
64.33317	5.7
65.26786	5.6
67.05513	79.9
69.03423	7.2
69.07079	37.5
70.06636	4.9
71.04998	100.0
71.54130	6.8
71.54539	6.6
73.06543	9.2
79.05492	68.0
81.03401	7.8
81.07069	69.7
83.04966	6.1
83.08614	23.4
85.02937	9.4
87.59217	5.7
91.05470	24.2
93.07047	75.4
95.04985	8.6
95.08624	43.3
96.51265	5.8
97.06555	15.4
97.10165	23.0
99.87458	6.5
105.07026	33.7
107.08609	50.0
109.10168	44.2
117.07018	10.6
119.08588	27.3
121.10120	62.3
125.09621	25.9
131.08568	15.7
133.10115	22.9
135.11720	13.1
145.10168	9.9
147.11700	15.8
149.09680	8.6
149.13280	9.1
153.12746	47.9
155.10643	22.0
159.11667	20.3
173.11784	69.4
173.13228	9.3
177.12796	10.0
183.11615	6.3
189.11201	21.5
189.12749	8.2
195.13863	11.6
227.16420	62.7
275.20093	73.3
307.22537	6.1
340.15298	17.0
360.21982	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	360.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
57.04850	0.5
59.46053	0.4
61.02930	0.6
62.31538	0.4
65.03950	0.6
69.03431	1.2
70.06595	2.0
70.98457	1.1
71.42751	0.4
73.02921	0.4
76.13028	0.4
79.05508	0.7
81.03426	0.8
85.02918	4.2
91.58967	0.5
97.02895	1.4
108.08139	0.6
121.02876	2.2
127.03883	1.7
133.02881	2.8
135.04428	2.1
135.08046	0.8
145.04927	1.7
149.02347	100.0
150.02727	0.5
150.12668	0.6
160.47348	0.5
163.03911	67.1
163.07523	4.3
167.03394	1.0
172.01599	0.5
180.08696	0.8
181.04953	34.1
181.44318	0.5
192.41736	0.5
231.11819	0.6
280.47534	0.5
316.15826	1.2
352.63672	0.5
360.16458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03434	1.3
61.18714	0.5
67.05492	1.0
68.99781	1.4
69.03424	1.0
69.89937	0.6
70.02451	1.2
70.06606	4.1
70.35360	0.5
70.54777	0.5
78.07336	0.5
79.05502	0.7
81.07073	1.2
83.01340	0.7
85.02892	1.7
86.09708	0.7
89.88947	0.5
91.05467	1.9
95.04970	2.7
95.08630	0.9
105.03377	0.7
105.07027	1.7
107.04947	1.0
107.08613	1.0
115.05460	1.4
117.07006	3.2
119.04975	3.6
121.06520	4.5
123.04440	27.9
125.59314	0.5
127.03902	0.9
135.04401	1.8
135.08063	2.8
136.07574	2.4
137.05984	1.3
145.06477	2.5
147.04424	12.3
149.05994	2.0
151.03874	2.0
157.06480	1.1
157.19527	0.6
161.05994	1.6
163.03914	1.6
163.07564	13.9
165.05504	5.5
167.06969	0.9
170.65402	0.5
173.06015	7.0
175.07449	0.7
177.05571	0.9
179.07063	5.4
185.05960	1.5
190.08644	12.4
191.07043	65.3
192.07416	1.0
203.07051	2.7
208.09698	100.0
209.10139	1.0
220.09615	1.7
221.08183	0.8
311.44510	0.5
325.10754	4.7
342.13345	4.0
343.11819	5.5
360.14420	43.5
361.14938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2794
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
55.05509	56.3
57.03373	6.1
60.24950	5.1
67.05502	31.8
69.07072	39.7
71.04977	9.5
71.31405	6.1
71.53743	8.4
79.05506	36.3
81.03420	5.8
81.07060	100.0
83.04973	14.5
83.08617	25.1
85.02888	7.9
85.06535	10.6
91.05475	27.3
91.35860	4.8
93.07051	69.9
95.04998	14.9
95.08605	73.1
97.06599	6.1
97.10155	25.9
99.08146	7.9
105.07044	37.2
107.04931	6.7
107.08572	60.9
109.10167	44.6
111.08057	9.7
111.11691	6.2
114.56966	5.1
119.08580	30.0
121.06516	13.8
121.10147	44.6
123.11738	49.8
125.09622	16.6
131.08585	7.7
133.10150	27.9
135.11629	29.8
137.09631	9.6
137.13258	10.7
139.03926	10.5
139.11189	7.0
145.10185	8.5
147.11696	20.1
149.13266	35.6
151.11157	6.5
157.10155	9.1
157.12219	6.8
159.11682	14.4
161.13278	6.8
163.14879	9.2
173.13269	7.8
207.40376	7.6
277.25098	6.8
281.19272	6.8
287.23877	8.2
293.24734	12.8
299.20117	14.4
304.90549	5.9
305.24713	36.4
315.21408	19.8
323.25934	12.5
359.22961	6.4
359.24591	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	359.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.9
55.05511	12.8
57.03443	7.5
57.07079	1.7
59.04993	1.1
65.03957	1.5
67.05507	32.0
69.03420	3.7
69.07072	21.1
69.81761	3.1
69.82175	2.8
71.04997	6.2
73.02922	2.5
79.05494	22.1
81.03423	2.1
81.07059	98.6
83.04991	8.6
83.08628	9.4
85.02911	16.8
85.06553	6.7
86.09712	3.4
87.04499	1.3
87.10021	1.6
91.05482	34.3
91.06021	2.4
93.07053	22.4
95.04961	5.4
95.08610	26.6
97.02882	1.4
97.06524	9.3
98.21439	1.2
99.04439	1.5
99.08092	6.8
101.02438	1.7
101.06113	1.3
105.07034	47.9
107.08598	20.2
107.78053	1.1
109.06512	7.8
109.10158	5.9
111.08090	4.3
113.02388	5.2
113.05994	1.9
119.08584	36.0
121.10135	27.3
123.08087	6.2
123.11707	33.9
127.07555	3.1
129.07007	3.2
131.03441	1.3
131.08557	3.2
133.10107	5.2
135.11699	2.5
137.05940	1.2
137.09612	1.5
137.13264	4.0
139.11227	1.8
141.09077	1.4
142.07892	1.1
145.10124	2.6
147.11687	100.0
149.09615	2.2
149.13348	2.4
157.10156	6.3
159.11658	1.4
163.11266	1.5
165.12762	65.0
175.11195	13.5
183.13812	6.4
186.85246	1.0
191.03458	1.2
191.07057	2.0
193.12263	16.7
200.11092	1.3
211.13339	3.3
213.18579	1.5
226.11876	1.4
227.12329	3.2
229.14362	19.5
295.15280	2.9
305.24756	2.2
313.10852	1.2
313.16629	8.2
323.14850	12.8
341.15991	48.0
359.17188	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2217
Annotation	3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate
Peak:m/z	Relative Intensity
55.05517	20.2
61.51720	3.8
62.89552	3.6
67.05491	15.5
69.15744	38.1
69.16155	6.2
79.05499	24.2
81.07052	47.4
85.60195	4.1
91.05475	29.4
93.07040	42.2
95.04984	23.8
95.08599	13.5
97.06522	8.2
98.21545	9.5
105.07035	66.5
107.08596	25.2
109.05808	5.7
109.06518	67.1
109.10156	14.1
113.06003	8.4
115.40063	4.3
117.06993	11.9
119.08595	54.6
121.06497	17.3
121.10127	12.6
123.07323	6.1
123.08076	67.5
123.11659	4.7
128.06227	8.3
129.06981	8.6
131.08601	21.9
133.10162	27.8
133.94681	3.8
135.08029	18.5
135.11723	8.5
137.09636	5.6
142.07748	7.8
143.08618	20.7
145.10114	29.0
147.07965	11.9
147.11688	98.4
149.13239	5.9
151.07477	4.3
155.07219	4.3
155.08542	12.8
156.09372	9.2
157.10118	22.3
159.08191	5.4
159.11713	18.0
161.09673	6.3
165.09114	29.5
167.08441	4.4
168.09314	6.1
169.10112	16.9
171.11707	13.7
173.09680	7.8
173.13258	8.9
181.10162	8.6
183.11694	11.3
185.09618	5.4
185.13243	22.7
187.11177	6.9
189.12773	5.1
193.10147	4.7
195.11736	6.1
197.13264	22.3
199.14804	12.8
201.12820	6.0
207.11650	5.9
211.14740	4.6
213.12843	6.7
221.13196	5.3
225.11201	12.4
226.83200	4.1
227.14314	5.1
239.17999	6.6
243.17459	44.6
253.19547	13.7
269.18970	13.9
281.18927	21.7
299.20105	47.9
317.21097	53.2
341.21024	13.9
359.22168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2217
Annotation	3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate
Peak:m/z	Relative Intensity
53.03946	3.0
55.05505	8.4
63.90318	2.0
67.05508	11.0
69.07061	4.7
69.80666	12.3
79.05497	35.0
80.28300	2.1
81.07059	100.0
83.04976	8.4
90.52283	2.2
91.05486	16.1
93.07044	18.6
95.04973	21.8
95.08615	16.5
95.09142	3.0
97.06514	4.5
98.20800	4.2
105.07024	29.5
107.08597	18.8
107.46759	2.2
109.06518	14.5
109.10139	5.0
113.05990	3.3
117.07060	5.4
119.08586	21.6
121.06503	7.0
121.10101	10.5
123.08069	9.3
128.06250	3.3
129.06963	5.8
131.08585	13.2
133.10118	14.6
135.08061	10.1
135.11694	4.8
137.09645	2.7
142.07790	7.0
143.08598	17.8
144.09325	3.1
145.10149	15.0
145.68724	2.1
147.08080	7.8
147.11685	12.5
149.09631	3.5
155.07204	2.1
155.08557	8.3
157.10121	17.2
159.08057	4.5
159.11707	14.7
161.09656	8.1
161.13281	5.3
165.06955	2.3
169.10141	7.9
171.11684	10.6
173.09630	5.7
173.13283	7.1
175.11238	7.4
181.10130	3.1
182.10898	3.4
183.10173	2.8
183.11716	8.8
185.09680	3.9
185.13246	8.5
187.11118	6.1
187.14850	3.8
189.12747	9.4
195.11621	3.2
197.13275	9.4
199.11212	5.7
199.14813	6.0
201.12723	6.7
201.16466	2.7
203.14352	2.8
211.14792	3.8
213.12816	4.2
219.13789	2.7
225.12834	2.5
229.15833	3.3
239.17934	4.0
241.15878	2.5
243.13803	3.1
243.17432	4.9
251.17805	3.0
253.19386	4.3
269.18945	6.7
271.20514	2.9
278.91174	2.4
281.19009	9.0
299.20044	46.7
317.21112	18.2
341.21283	4.3
359.22229	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	359.1704
Annotation	Loliolide beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.53712	0.8
53.03939	1.1
54.77745	0.8
55.01878	1.4
55.05505	1.2
57.03424	2.5
58.89109	1.0
58.93090	1.0
61.02917	3.3
67.05509	1.9
69.03440	6.6
69.69985	3.2
69.70393	2.2
74.72099	1.0
79.05487	4.2
81.03420	2.7
81.07068	2.4
85.02915	24.2
86.09703	1.4
87.04470	1.3
91.03962	1.7
91.05495	5.4
93.07060	15.1
95.04959	3.3
95.08609	4.9
97.02892	6.6
103.05455	1.3
105.07049	6.8
107.08608	18.3
109.02873	2.3
109.06535	1.7
109.10154	3.7
119.08543	3.0
121.02902	1.5
121.06506	2.8
121.10159	11.6
123.04469	1.1
123.08101	2.2
127.03960	5.3
133.10156	15.9
135.11708	17.8
137.06013	1.6
137.09660	2.6
139.11201	6.2
145.04950	3.2
149.09605	2.2
151.11235	1.5
161.09639	10.9
167.10709	2.1
179.07141	1.6
179.09117	1.9
179.10686	36.0
179.14265	2.0
185.11584	0.8
197.11757	100.0
359.16888	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03933	1.6
55.01871	1.5
55.05503	0.9
56.96560	2.4
57.03434	2.2
59.04990	0.7
61.02925	5.4
64.82616	0.7
65.03934	1.2
67.05497	2.5
69.03432	10.2
69.07049	1.4
70.06605	1.1
70.85117	1.0
70.85466	1.1
71.04990	2.1
72.08150	0.9
73.01446	0.7
73.02908	2.3
79.05491	2.2
81.03410	5.3
81.07035	1.8
83.04975	1.1
84.03072	0.8
85.02911	34.6
86.09673	1.0
87.04466	1.8
91.03940	2.0
91.05483	11.0
91.67059	0.6
92.05821	1.8
93.07046	5.6
95.04964	2.5
95.08601	2.1
97.02895	10.6
97.06507	1.0
99.04427	2.2
105.07037	8.1
105.12661	0.9
105.37484	0.7
107.04934	1.6
107.08601	51.6
108.08939	0.8
109.02868	2.6
109.06516	3.2
109.10169	7.6
110.06050	0.7
119.04950	7.1
119.08566	2.2
120.05300	1.6
121.06488	2.6
121.10133	1.4
123.04437	2.2
123.11696	1.1
127.03912	5.6
131.04912	1.1
131.08620	0.8
133.10136	22.3
135.08057	1.2
135.11702	8.8
137.06009	1.4
137.09618	6.6
143.00130	1.0
145.04985	8.5
147.03244	1.0
147.04416	19.4
148.04771	7.7
151.11220	5.3
161.09595	6.9
163.07559	1.0
167.07057	1.3
167.10732	1.6
173.06004	0.9
179.10684	22.2
191.07018	1.7
197.01302	0.9
197.11743	100.0
198.12094	0.9
208.09689	3.3
215.10529	1.2
217.12289	1.0
234.66904	0.9
239.02267	2.0
240.02502	0.8
253.03871	0.8
257.03409	1.2
282.74332	0.8
291.45288	0.8
304.94040	0.9
359.13333	0.6
359.16855	10.3
360.14447	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01870	1.7
56.07844	0.6
57.03431	2.8
61.02933	4.6
64.55339	0.7
65.03928	1.1
67.05514	1.8
69.03431	10.5
69.07053	0.9
70.06567	2.4
70.72044	1.5
70.72398	0.9
71.04993	2.2
72.08139	1.1
72.28863	0.7
73.02923	1.5
79.05488	2.7
81.03416	4.3
81.07053	2.6
81.74617	0.7
85.02909	34.9
86.09705	2.2
87.04478	1.7
91.03941	1.7
91.05479	9.3
93.07056	7.1
95.04961	2.7
95.08605	2.4
97.02893	11.0
97.06521	1.8
99.04448	2.1
103.05499	1.0
105.07036	8.3
107.04946	2.4
107.08599	51.4
108.57794	0.7
109.02919	3.7
109.06522	2.8
109.10166	7.7
115.98607	0.7
119.04944	3.0
119.08592	1.9
121.06540	4.7
121.10155	2.0
123.04470	0.9
127.03917	7.5
131.04953	1.4
131.08607	2.0
133.06406	0.9
133.09119	1.1
133.10138	22.2
135.11702	10.3
137.05968	2.9
137.09605	6.6
139.07567	1.0
145.04985	8.8
147.04424	7.2
148.04765	2.0
149.05984	1.0
149.09583	1.8
151.07513	0.9
151.11162	3.1
161.05981	1.1
161.09618	6.7
163.07451	1.0
167.07022	1.0
167.10789	0.8
179.10681	23.2
191.07027	0.9
191.10739	1.1
197.11743	100.0
198.12149	1.0
205.44740	0.7
208.09659	1.5
217.06607	0.7
217.12222	2.5
246.54814	0.7
359.16791	10.4
383.01727	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01873	0.9
55.67089	0.8
61.02913	1.6
69.03432	3.3
70.28445	2.4
70.46410	0.7
79.05497	1.8
81.03426	1.5
81.07065	2.0
85.02914	9.9
86.09715	1.0
91.05478	2.2
93.07053	6.6
93.63175	0.7
94.40036	0.8
95.08634	1.2
97.02905	3.4
99.04514	1.2
105.07031	5.1
107.08606	28.8
107.64711	0.8
109.02879	1.2
109.06487	1.3
109.10183	1.2
119.08590	5.0
121.06461	0.9
121.10170	7.9
123.11761	0.8
127.03947	1.3
133.10135	17.1
135.11678	1.2
137.06003	1.8
137.09598	1.1
143.08597	1.2
145.05000	1.1
149.09648	4.4
151.07608	0.9
151.11201	6.7
161.09589	4.8
167.07086	0.9
167.10699	13.5
179.10686	16.3
197.11748	100.0
198.12134	1.6
359.16913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	(-)-Dehydrodiconiferyl Alcohol
Peak:m/z	Relative Intensity
55.01867	2.1
55.05497	1.9
57.03397	1.4
65.03921	4.2
67.05495	3.3
69.03417	2.3
69.07050	4.2
69.79541	8.1
71.04981	1.5
72.76875	1.1
79.05486	3.8
81.07062	7.6
83.04963	1.5
85.02890	3.1
85.06532	1.9
91.05473	4.9
91.84092	1.3
93.03410	2.3
93.07046	5.6
95.03416	1.4
95.04932	3.1
95.08597	5.1
97.06507	2.4
97.62008	1.5
98.20860	2.7
99.08084	2.4
103.95941	1.2
105.07020	3.2
107.04922	3.8
107.08596	3.1
109.10155	3.2
110.03645	5.0
111.04425	4.4
119.08561	4.6
121.02863	15.0
121.06539	1.5
121.10132	4.1
123.04336	1.3
123.08090	1.2
123.11729	2.1
125.05991	7.0
129.07013	2.1
131.04898	2.0
131.08603	2.3
133.10129	2.3
135.08046	3.8
135.11655	1.8
141.06998	1.8
143.08502	1.7
144.05667	2.9
145.06433	2.9
145.10141	2.1
147.04425	1.6
147.11617	1.4
149.02318	4.0
151.03922	2.4
153.05493	7.1
153.06740	1.5
157.06483	1.7
157.10207	1.3
159.08051	4.4
159.11635	1.8
161.05927	1.5
161.09618	3.8
162.06645	2.2
165.07043	3.5
167.07179	2.5
167.08553	3.3
167.79924	1.2
169.06459	1.3
171.08025	1.5
171.60274	1.3
173.13251	2.8
177.06976	1.4
178.07782	3.6
181.04953	18.0
181.06511	3.8
182.07231	3.7
184.08778	1.3
188.08206	1.5
191.08572	2.2
191.10652	1.4
193.06389	1.6
193.10181	2.2
194.07306	3.5
195.08058	9.4
196.08728	1.7
197.05977	4.9
197.09631	2.4
205.06538	1.5
206.07227	4.7
207.08008	3.5
208.08813	2.3
209.05978	4.1
209.09557	2.6
210.06812	7.6
210.10220	1.7
211.07559	7.3
212.08281	4.9
213.09158	1.7
215.14403	1.6
221.06133	1.4
221.09581	9.5
222.10460	3.1
223.07512	11.3
224.08286	3.5
225.05490	1.5
225.09079	7.5
226.05965	1.3
227.07011	6.6
227.10640	3.4
229.08665	1.8
234.06769	2.5
235.07532	4.3
237.05428	2.4
237.09090	7.3
238.06235	4.5
238.09818	10.3
239.06947	6.8
239.10701	2.2
240.07826	21.5
241.08630	3.3
249.09161	6.6
251.07065	5.8
251.10686	1.8
252.07848	4.4
253.08603	33.8
253.12195	11.3
254.09232	6.2
255.06587	5.7
255.10152	10.5
257.08032	7.7
257.11902	1.4
265.08615	5.3
266.09366	6.3
267.10236	8.3
268.07291	5.5
269.08112	12.5
270.08890	3.7
272.09927	1.5
275.31186	1.5
281.08099	9.3
281.11713	14.1
282.09052	1.9
283.06384	2.0
283.09631	17.8
284.10413	7.1
285.07642	2.4
285.11255	3.0
285.14581	1.6
294.08997	1.8
295.09583	4.7
297.07556	4.2
298.08374	7.9
298.11984	5.1
299.09546	2.4
299.12814	13.0
300.09879	13.6
309.11276	12.0
310.11966	3.8
313.10678	65.6
313.14362	44.7
326.11472	4.2
327.12271	63.2
328.12994	3.5
331.15439	17.8
341.13812	37.2
359.14880	100.0
360.15167	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1342
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
55.01885	2.7
61.02914	2.1
65.03946	4.3
67.05517	3.0
69.03419	6.3
69.51064	15.1
70.06592	3.7
71.05006	3.2
73.02928	26.7
79.05503	3.7
83.04955	2.7
85.02917	11.9
89.29261	2.4
91.05475	5.3
95.04977	3.7
97.02905	2.3
98.20827	2.6
101.05972	3.0
105.07028	2.3
107.08638	2.7
110.03697	3.3
113.06009	11.1
117.07003	2.9
119.04934	2.3
119.06044	6.9
121.06499	3.6
121.10090	2.5
123.04411	6.6
125.06020	30.7
127.03966	3.4
137.06000	6.1
137.07138	2.2
145.06354	2.4
147.05557	7.4
148.06326	20.4
149.06044	5.0
149.07123	29.0
149.09637	4.8
151.03932	100.0
151.05057	8.7
151.07542	4.1
161.06009	2.7
163.07568	4.1
165.05360	3.0
165.06618	23.5
166.07408	5.0
167.07005	2.9
167.10634	3.1
179.06860	22.1
179.08429	17.8
179.10638	2.0
182.32281	2.2
191.07086	9.4
197.07991	90.9
208.09769	20.4
311.12787	2.4
359.14163	51.8
360.14474	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	358.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	3.3
64.41781	1.4
64.68417	1.4
65.98841	1.3
69.03433	2.3
69.82415	6.3
69.82824	2.5
82.06577	3.0
84.96020	2.1
85.02903	3.5
91.05495	2.6
97.02879	2.5
98.97581	3.3
100.07615	4.2
101.00856	1.4
110.97604	1.3
114.14435	1.3
119.04966	2.2
125.18422	1.4
126.51716	1.5
127.03941	1.8
134.99249	1.2
138.44969	1.3
139.03876	1.5
143.00183	3.1
143.01892	2.4
146.08171	3.0
147.04382	6.7
154.93246	1.7
156.99814	1.5
158.99641	1.9
161.02969	2.1
196.03728	100.0
224.01018	1.8
275.02936	1.4
297.16452	1.4
335.08304	2.2
358.08990	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1338
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
53.03934	2.9
55.01881	2.7
55.05507	2.8
57.03427	4.8
57.11159	1.4
61.02916	4.3
67.05495	6.2
68.99783	3.0
69.03427	7.6
69.07066	6.4
70.06588	2.3
71.05004	4.7
71.53607	2.4
73.02913	3.5
77.79343	1.6
79.05499	5.5
81.03408	5.5
81.07057	14.1
83.05000	2.5
85.02905	28.4
85.06537	9.6
86.09701	4.0
87.04471	1.7
91.03953	2.0
91.05479	6.3
93.07036	10.5
95.04967	9.0
95.08599	5.9
97.02910	8.1
99.04451	2.9
99.08122	2.3
105.07025	6.3
107.08616	11.3
109.02889	4.0
109.06537	9.2
109.10161	4.5
111.08089	6.4
113.06030	18.7
114.02865	2.0
116.07090	4.2
119.08599	7.7
121.06497	2.3
121.10159	8.7
123.04457	11.0
123.08112	2.0
123.11751	3.5
125.09659	1.8
127.03928	5.7
129.07033	2.1
129.14339	1.6
131.04893	2.5
131.08534	2.0
133.06477	2.4
133.10175	2.1
135.08102	3.6
135.11693	4.4
137.05980	6.9
139.03912	3.5
145.04962	5.4
145.06465	1.7
145.10066	3.5
147.04445	5.0
147.08041	6.7
147.11746	2.7
149.09653	2.7
149.13257	2.2
151.03928	4.7
151.07545	17.6
155.07047	2.9
157.06404	2.0
160.74031	1.7
161.05988	11.5
161.13257	2.4
163.03955	2.3
163.07513	4.1
163.11230	6.0
167.10718	2.8
173.06078	1.8
175.07578	21.8
177.05504	3.9
179.07040	45.7
179.14386	2.7
185.05997	3.1
187.07529	1.7
189.05342	2.6
189.09062	2.9
191.03366	2.0
191.07010	10.9
191.10677	3.9
197.08110	100.0
197.15442	3.0
200.49611	1.8
203.07060	15.4
209.08076	12.8
209.11736	1.8
211.07516	1.8
215.07036	4.8
217.08667	5.2
221.08087	27.1
227.16373	2.4
229.03242	2.3
229.08574	2.2
239.09145	14.7
243.11317	4.0
245.08096	5.2
257.08054	7.8
263.09174	25.8
269.08197	3.5
275.09152	19.7
287.09183	12.6
293.10168	3.8
305.10229	9.6
305.24557	2.4
323.11282	6.9
323.14807	1.9
327.10492	2.1
359.14249	6.2
359.19482	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	357.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.3
55.01860	5.0
55.05509	39.4
56.21928	2.2
57.03437	5.2
57.07074	8.1
58.99586	9.3
62.34581	2.6
65.03944	3.9
67.05173	4.6
67.05505	51.1
69.03436	12.0
69.07067	44.9
69.62543	7.9
69.62953	8.0
71.05000	10.7
76.02224	37.1
79.05488	20.3
81.03419	4.3
81.07058	95.2
83.04974	7.2
83.08622	11.3
84.04510	3.8
85.02908	4.1
85.06569	12.9
86.99059	4.3
91.05489	19.7
93.07054	48.6
95.04970	9.2
95.08611	100.0
97.06521	10.3
97.10174	66.4
98.20817	3.0
99.08118	5.9
105.03358	4.5
105.07021	34.6
107.04948	4.1
107.08599	37.0
109.06519	10.5
109.09461	4.7
109.10159	51.7
111.08073	15.8
111.11742	10.5
116.01678	9.1
117.06997	4.0
119.04925	5.9
119.08585	24.5
121.06498	4.5
121.10164	36.6
123.04449	10.2
123.08078	10.5
123.11708	37.1
125.09671	13.6
127.11172	4.2
130.06898	3.0
131.06296	2.3
131.08540	6.5
133.10138	18.0
135.08058	5.6
135.11737	21.3
137.06020	3.9
137.09637	9.4
137.13252	11.8
139.03900	5.7
139.07567	8.2
139.11188	16.4
143.08553	3.4
143.10680	23.7
144.01135	4.1
145.10114	6.4
147.04425	12.0
147.11685	16.9
149.05983	3.1
149.09615	6.0
149.13245	9.9
151.03893	6.2
151.11195	8.8
151.14816	20.9
153.12732	12.8
155.10686	4.5
157.12262	13.5
159.11708	7.8
161.05986	7.4
161.13326	14.7
162.02203	23.2
163.03932	5.4
163.07535	10.7
163.11229	4.5
163.14813	5.0
165.05518	4.0
165.09084	6.7
165.12724	8.8
167.03435	4.1
167.10698	10.4
168.73520	3.2
169.12294	3.8
173.13240	7.5
175.14803	3.9
177.05553	2.8
177.12834	3.4
179.03410	4.8
179.04846	38.6
179.14345	19.4
183.10243	3.1
183.13783	4.5
187.14832	4.1
188.07082	7.2
189.11270	3.5
193.08543	3.1
193.15770	3.2
201.16481	2.9
205.08549	42.9
207.13768	3.1
213.06703	2.8
221.15660	3.1
229.15817	3.5
229.19629	2.5
233.15416	3.6
259.11212	4.4
275.23776	3.9
285.22086	4.8
291.23199	12.3
303.23233	25.3
309.24240	6.6
314.30847	2.5
321.24207	39.2
339.12048	3.2
339.17050	6.6
339.25226	15.4
357.13315	14.3
357.18915	28.3
357.24298	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	357.2637
Annotation	Ligantrol
Peak:m/z	Relative Intensity
51.11872	1.6
52.06394	1.4
55.05515	47.1
55.75976	1.5
57.07073	2.7
60.02372	1.6
61.76674	1.5
67.05506	11.5
69.03438	4.8
69.07072	26.5
69.97202	3.8
69.97590	3.1
71.04987	3.3
79.05505	8.1
81.07059	43.6
83.04971	2.4
83.08614	8.2
83.60169	1.4
85.02901	2.9
85.06536	7.7
91.05484	6.4
93.07049	15.1
95.04445	1.7
95.04945	9.7
95.08613	40.7
97.06554	3.1
97.10172	100.0
98.20818	2.1
99.08100	2.6
101.05995	2.7
105.07045	15.3
107.08605	17.8
109.06544	4.9
109.10162	19.0
111.08094	3.5
111.11706	6.8
117.07030	1.7
119.08628	11.3
121.10124	13.0
123.08057	3.4
123.11730	17.0
125.09634	16.6
131.08571	4.2
133.10132	9.6
135.11711	7.9
137.05992	2.7
137.09630	2.2
137.13232	3.5
139.03922	2.1
139.10226	1.5
139.11147	9.2
141.09106	2.4
143.10686	34.9
145.10136	4.1
147.11682	9.5
149.13257	5.6
151.11314	2.0
151.14798	4.0
155.14282	1.9
157.12271	6.1
159.11679	3.6
161.09610	4.6
161.13287	6.2
163.11172	2.3
165.12773	5.0
167.76060	1.6
171.10167	8.9
173.13286	2.5
179.10730	2.4
179.14346	2.0
183.13884	2.0
187.14798	2.6
189.11160	9.7
203.17792	1.9
207.10121	2.4
211.13380	2.7
264.88214	1.7
267.21344	1.9
269.09225	2.0
285.22043	1.9
287.10281	9.1
291.23032	3.7
297.93268	1.6
303.23181	9.9
309.24261	4.3
321.24274	26.2
339.16824	2.2
339.25381	13.6
357.13440	3.9
357.18423	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1336
Annotation	Horsfieldin
Peak:m/z	Relative Intensity
50.01110	0.2
53.03947	0.3
55.01865	0.4
65.03945	0.6
66.04719	0.2
67.05520	0.5
69.03423	0.3
70.39368	0.7
71.22556	0.2
79.05505	0.8
81.03431	0.3
81.07057	0.6
91.05482	0.8
93.07047	0.3
94.04189	1.6
95.04984	0.3
101.63235	0.2
105.07078	0.4
107.04955	0.3
108.02087	0.3
109.02892	0.3
109.06545	0.2
109.10176	0.5
115.05470	1.2
117.07034	1.0
119.08561	0.3
121.06567	0.2
122.03661	6.6
124.97108	0.2
125.06012	0.3
128.06224	0.3
129.07033	0.6
133.10184	0.4
137.05992	100.0
138.06302	0.7
139.03969	0.2
141.05502	0.4
143.04939	6.7
145.06477	0.6
147.08072	0.3
151.03928	20.5
151.05035	1.8
152.04213	0.2
153.05580	0.3
157.06548	0.7
160.05278	0.2
161.09572	0.3
165.05490	0.4
165.09105	0.4
171.04463	0.2
175.07588	1.9
189.09052	0.5
203.07043	2.4
204.06607	0.3
205.08600	2.4
215.06972	0.3
219.08110	0.3
261.08902	0.2
279.10168	0.3
306.12292	0.2
307.09698	0.5
321.11264	0.9
321.40228	0.2
324.10217	0.2
327.12299	11.3
328.12772	0.3
339.12128	1.0
357.13336	29.0
358.13943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	4.7
55.01868	13.4
55.05523	27.3
56.96568	5.6
57.03443	6.1
57.07075	4.4
59.04988	3.2
61.02937	13.6
67.05511	28.7
69.03440	15.0
69.06731	4.8
69.07076	58.4
71.05004	7.9
71.53783	3.8
73.02911	6.2
73.12143	2.5
79.05502	22.7
81.03419	26.4
81.07063	56.0
82.45115	2.8
83.04971	10.1
83.08610	20.1
84.08181	2.7
85.02908	28.7
85.06533	11.3
91.03945	3.4
91.04931	3.6
91.05458	24.2
93.03395	3.2
93.07055	47.2
93.36353	2.7
95.04963	12.8
95.08614	100.0
97.02894	11.2
97.06520	7.2
97.10172	8.9
99.08103	37.4
101.02396	3.0
103.03950	4.4
105.07047	28.9
107.04955	8.0
107.08602	53.6
109.02919	4.3
109.06518	12.6
109.10163	27.3
111.04445	4.1
111.08083	21.9
111.11018	4.6
111.11736	40.5
115.03899	4.0
115.05451	4.0
116.98513	4.1
117.07022	9.0
119.08591	26.2
121.06508	7.3
121.10157	81.3
122.03671	5.7
123.04449	10.2
123.08060	8.6
123.11721	33.8
125.06001	3.1
125.09614	6.4
127.03928	7.8
127.07596	2.9
127.11178	4.1
129.07016	4.9
131.00073	3.7
131.08578	9.1
133.06454	3.2
133.10150	18.6
134.36635	3.0
135.08096	5.5
135.11700	21.9
137.06001	31.6
137.09637	6.6
137.13205	4.5
139.03952	3.3
139.11169	5.6
143.08640	4.5
145.06540	4.7
145.10115	10.3
147.04445	6.7
147.08084	6.5
147.11694	15.2
149.05981	3.2
149.09666	5.5
149.13269	11.1
151.03918	3.5
153.05460	4.3
157.10127	9.2
159.08067	6.4
159.11737	13.6
161.05977	11.6
161.09726	4.0
161.13293	9.3
163.03883	5.4
163.07544	8.3
163.11179	4.8
163.14828	11.5
165.05540	14.4
165.09137	3.6
165.12817	4.6
169.10155	4.3
171.11655	4.8
173.13295	7.4
175.07556	4.3
175.11209	7.2
175.14854	14.8
177.00452	2.8
177.05487	6.0
177.16396	81.2
187.07597	3.6
187.11133	3.1
189.00667	5.3
189.16451	5.0
191.08630	6.3
193.12265	11.6
195.17500	9.4
201.12903	4.7
201.16403	4.8
205.08580	24.6
205.15846	5.2
207.08136	3.8
207.17551	4.2
211.13287	3.6
215.14229	3.8
218.07278	6.0
219.08041	7.6
219.17455	5.6
223.16884	3.6
235.07516	5.8
237.18510	4.7
246.06953	4.1
247.07642	9.9
251.11108	4.8
261.09149	10.8
261.18616	3.1
263.07074	7.2
264.08038	5.2
265.08469	3.5
267.08990	15.6
269.12283	4.4
274.06198	5.2
275.07037	5.3
279.10330	6.6
279.19577	4.7
284.06506	3.4
285.10120	27.0
289.08615	14.2
303.19574	7.0
303.22845	5.5
306.08701	5.2
307.09729	29.6
309.11182	6.1
321.11230	25.8
321.20645	11.9
321.24222	4.8
327.12207	10.3
339.12262	21.4
339.21823	12.0
357.13303	12.5
357.18097	4.9
357.22928	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	356.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	2.2
56.23677	1.4
66.25303	1.3
67.05512	7.4
69.07062	3.2
69.18065	4.2
69.18476	9.1
79.05486	7.6
81.03415	2.1
81.07058	12.6
89.42542	1.4
91.05476	11.4
93.07047	17.0
95.08615	16.9
95.15415	1.7
97.26888	1.2
98.20753	2.6
105.07034	36.5
107.08594	28.4
109.09470	1.2
109.10119	6.4
109.92591	1.3
117.07013	12.5
119.07811	1.7
119.08588	19.1
121.10126	12.2
129.06953	1.8
130.07788	2.4
131.08571	31.0
133.10130	22.6
143.08545	2.1
144.09348	2.0
145.10129	61.6
147.11676	4.8
147.99420	1.5
159.11694	38.1
161.13333	2.6
173.13243	12.0
187.56424	1.3
201.16388	100.0
219.17458	4.7
243.94543	1.7
261.18542	20.4
316.34366	1.3
321.20605	3.3
346.64532	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.9
56.96550	1.9
57.07086	4.7
67.05510	6.2
69.07078	16.1
71.04974	5.1
77.63631	2.1
79.05478	7.3
80.92967	1.8
81.07055	13.0
83.08620	2.6
85.06518	2.1
91.05499	11.8
93.07042	21.4
95.04955	2.9
95.08607	8.9
101.69633	1.8
105.07040	71.5
107.08605	17.9
109.10158	4.7
117.07021	10.2
119.08585	55.7
121.10137	12.7
129.06999	3.9
130.07816	5.0
131.08586	11.2
133.10130	12.6
135.11678	2.7
137.09622	2.2
143.08556	4.4
145.10129	100.0
147.11688	43.5
149.13251	21.0
159.11708	24.7
161.13257	81.5
173.13280	5.8
175.14816	6.9
177.12782	1.9
201.16380	52.6
219.17441	15.1
261.18420	3.6
279.19470	2.0
356.27158	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	356.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.8
60.90535	0.4
65.03948	0.9
67.04252	4.3
67.05508	2.3
69.03434	3.5
69.07070	1.5
70.72455	1.0
71.05011	1.0
74.14471	0.4
79.05501	1.5
80.05006	0.8
81.07065	8.9
82.06583	100.0
83.06490	0.4
83.07362	0.7
85.06554	0.7
87.31010	0.4
88.03997	4.5
91.05488	1.4
93.07052	1.4
95.08601	1.7
97.06526	0.7
100.07623	20.3
105.07065	2.7
107.08571	0.5
109.06513	0.5
118.08652	0.7
119.08598	1.4
120.71277	0.4
121.10141	1.0
123.11723	2.0
126.05598	1.0
128.07086	52.3
129.07431	0.5
146.08124	15.6
147.11702	3.9
165.12781	1.0
170.72495	0.5
210.03175	0.4
227.78239	0.4
310.20087	2.2
338.19675	7.4
356.20703	68.8
357.21445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93800	1.8
53.03945	1.8
55.01868	5.6
57.03436	4.6
61.02927	9.2
62.26922	1.6
69.03432	21.7
70.64995	4.9
70.65337	1.6
71.04985	4.7
71.05341	1.8
73.02912	10.4
81.03419	15.7
85.02908	85.7
87.00837	5.4
87.04472	28.2
89.03913	3.1
91.03966	5.1
91.05457	4.9
97.02900	25.1
97.06531	17.3
99.04475	4.4
99.87532	1.6
101.02394	3.9
105.01837	8.8
109.02853	11.0
111.00835	2.3
115.03932	100.0
117.03365	2.6
119.04958	12.6
121.02869	2.5
127.03925	43.1
129.01845	4.4
131.77721	1.9
133.04970	38.3
135.04416	6.2
136.04733	4.4
137.05997	3.8
143.03416	3.1
145.02795	3.7
145.04965	50.9
146.03206	4.2
147.04419	45.8
148.04993	1.5
157.01294	2.7
161.04448	6.0
163.03917	28.9
163.06015	6.4
164.04242	32.6
165.05505	1.7
179.03296	2.8
189.03986	10.9
193.04839	1.7
195.02866	5.3
231.04977	1.9
241.07056	2.4
249.05981	1.6
259.08200	15.5
277.06570	2.4
277.09244	27.4
282.39658	1.8
285.06030	2.0
301.33618	1.6
303.07166	10.5
321.08203	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03936	2.5
55.01865	2.4
55.05512	24.4
57.03438	8.7
57.07077	9.4
63.18663	1.9
67.05505	77.0
69.07072	32.5
71.08631	9.7
72.08162	3.2
73.50077	1.8
79.05495	24.9
81.07055	100.0
83.04967	2.9
83.08620	29.0
85.06551	3.5
88.07584	3.1
91.05480	18.1
93.07048	27.9
94.88346	2.2
95.04993	2.1
95.08608	78.5
95.43027	2.1
97.06525	10.0
97.10170	15.3
98.21542	3.6
99.08087	4.3
105.07024	12.1
107.08592	22.5
109.10155	43.7
111.08076	5.0
111.11722	7.0
119.08591	18.0
121.10149	25.9
123.11703	21.1
133.10141	15.8
135.11670	13.8
137.13258	11.2
141.12770	2.7
141.53732	1.9
147.11644	12.8
149.13284	10.9
151.11061	2.3
151.14821	7.7
155.14342	2.0
161.13264	12.7
163.14847	11.2
165.12834	2.6
165.16408	6.6
175.14842	7.1
179.17928	5.3
181.15926	3.2
188.22798	1.9
224.45088	1.9
225.16325	2.0
233.09415	2.1
233.84329	2.1
245.22647	46.7
247.24084	2.0
263.23709	54.5
280.92255	1.9
337.27338	41.2
338.34232	2.4
355.28439	7.2
356.35275	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	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83633	2.7
53.03933	2.7
53.22901	3.2
55.01866	4.2
55.05519	18.0
57.03433	2.7
57.07067	8.1
59.05000	2.9
67.05502	30.0
69.03423	8.1
69.07065	41.5
70.64726	2.7
70.65040	6.0
71.05002	6.9
79.05505	20.3
81.03410	8.4
81.07060	100.0
83.04970	9.5
83.08607	25.0
85.02935	3.1
85.06543	10.8
91.05449	14.2
93.07047	41.7
94.38725	2.9
95.04951	8.1
95.08609	71.9
97.06522	8.5
97.10165	10.0
98.97609	4.2
99.04453	12.1
99.08089	3.6
101.02462	2.9
101.20609	2.6
105.07024	43.2
106.91492	2.7
107.08607	43.0
109.02846	3.5
109.06529	13.4
109.10172	45.3
111.08099	7.8
111.11700	5.5
119.08585	22.5
121.06526	5.7
121.10149	39.9
123.08104	7.3
123.11718	33.0
125.09618	3.8
126.64051	2.7
127.07571	8.9
131.08575	6.1
133.06587	3.3
133.10138	40.3
135.08043	4.0
135.11705	24.5
137.09607	4.0
137.13261	15.8
143.14796	2.6
145.10074	5.8
147.04460	3.9
147.07901	3.2
147.11694	47.2
149.09665	4.4
149.13231	17.6
151.11191	41.9
157.10126	5.8
159.11671	5.6
161.13269	5.7
163.03960	3.0
163.11150	6.1
163.14853	5.8
165.12740	24.4
167.14351	4.2
168.83083	2.6
173.13254	5.3
175.11162	30.5
177.16296	2.7
179.10699	5.9
181.12257	12.2
189.12802	3.5
193.12245	65.6
193.13913	5.7
195.13806	5.0
205.19507	5.8
207.13774	8.0
209.15413	4.1
209.19098	3.9
211.13287	11.9
229.14404	10.1
263.20059	4.6
283.24155	3.7
301.21823	3.6
301.25272	8.2
319.26294	38.7
337.27362	27.8
355.07468	3.9
355.11969	5.5
355.16724	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	355.2845
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03934	1.9
55.01868	1.8
55.05514	30.4
57.03440	7.3
57.07085	10.9
62.75247	1.2
67.05511	72.5
69.07076	31.6
70.06583	2.2
71.04998	1.8
71.08635	6.9
71.83538	1.1
79.05502	26.5
79.25224	1.1
81.07064	100.0
83.05000	2.9
83.08625	24.7
85.06557	2.8
85.10184	3.4
85.23848	1.2
91.05487	18.6
93.07052	30.4
95.04948	1.5
95.08617	82.6
96.31563	1.3
97.06538	7.7
97.10175	14.9
99.08104	3.9
105.07038	13.3
107.08598	19.8
109.10168	43.6
111.08110	5.7
111.11723	6.1
111.88723	1.1
113.09657	2.3
119.08586	15.4
121.10152	23.7
123.08048	1.3
123.11725	21.8
124.54247	1.2
125.09634	2.8
125.13283	2.2
127.11166	2.0
129.05493	2.1
131.86037	1.1
133.10136	15.8
135.11707	13.8
137.09596	1.2
137.13272	9.3
139.11197	2.0
141.12773	2.2
143.25627	1.3
147.11693	13.3
149.13266	16.8
150.38728	1.2
151.11137	2.2
151.14848	8.0
155.14346	1.2
161.13287	14.1
163.14835	13.6
165.12737	2.0
165.16382	7.9
167.14200	1.4
175.14845	13.2
177.16422	1.9
179.17978	5.8
189.16364	6.1
203.17986	3.2
217.19589	1.8
245.22668	51.6
263.23727	55.1
263.26599	2.7
264.23975	1.6
265.25275	1.3
337.27365	36.7
338.27713	1.4
355.29071	9.3
355.33734	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	355.2482
Annotation	11,12,15-THETA
Peak:m/z	Relative Intensity
53.03954	5.4
55.01868	4.9
55.05515	53.9
57.03428	4.6
57.07074	8.3
59.05001	3.3
65.03942	3.5
67.05516	32.0
69.03421	16.6
69.07072	53.9
70.42177	6.4
70.42540	7.8
71.01353	3.7
71.04993	28.3
72.55155	3.3
79.05486	29.2
81.03356	6.3
81.07060	86.5
83.04972	10.6
83.08618	12.6
84.76170	3.1
85.02916	5.8
85.06540	14.9
91.05461	22.9
93.07053	81.6
95.04979	23.2
95.08608	91.1
97.02908	4.6
97.06534	26.6
97.10178	72.5
97.16148	3.4
99.04457	9.9
99.08106	8.1
103.05473	3.6
105.07047	44.4
107.05006	3.6
107.08607	100.0
109.06496	16.8
109.10162	49.8
109.40871	3.2
109.79923	3.4
110.12954	3.0
111.04463	3.9
111.08100	9.0
111.11731	5.3
117.07070	7.4
119.08592	37.0
121.06537	6.8
121.10154	54.1
123.08086	16.1
123.11726	20.9
125.09634	35.5
129.06995	3.3
131.08591	16.6
133.06461	3.3
133.10147	27.1
135.08061	8.8
135.11702	56.9
137.09622	12.7
139.03900	4.1
139.11165	23.7
141.09158	8.4
143.08577	5.4
143.10695	16.3
145.10130	25.8
147.11702	19.7
149.09607	18.6
149.13293	21.8
151.07550	5.8
151.11156	6.4
153.12794	8.7
155.10721	4.0
157.10109	8.4
157.12300	7.3
159.11714	20.6
161.09576	5.0
161.13274	8.2
163.11200	31.0
163.14798	3.9
165.09125	5.6
165.12802	8.4
167.10733	3.4
167.14359	8.6
171.10252	5.9
171.11760	4.4
173.13333	10.1
175.11316	3.9
175.14845	10.2
177.12775	13.7
181.12228	25.8
183.13808	3.7
187.14926	4.8
189.11237	4.2
189.12759	5.8
193.12286	3.8
199.13286	4.5
199.14925	5.2
201.16484	4.0
203.14391	5.9
213.12784	3.4
221.15508	4.2
225.16354	3.9
273.22153	5.0
283.20663	10.4
289.21655	12.8
291.23053	5.2
301.21573	39.3
307.22653	11.5
319.22656	18.7
337.23712	15.6
355.11447	6.4
355.17499	4.7
355.24734	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	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03941	3.4
55.05514	27.4
57.03425	9.5
57.07062	11.5
67.05507	80.0
69.07072	41.9
69.47505	2.2
69.82302	11.2
71.08624	6.5
76.90128	2.3
79.05500	22.9
81.03408	3.9
81.07057	100.0
83.04974	4.2
83.08628	30.6
85.06567	4.4
88.87328	2.3
91.05482	18.2
93.07047	31.1
95.08609	82.5
95.87991	2.5
97.06515	8.6
97.10185	17.7
98.21553	2.6
98.54850	2.4
99.08076	4.1
105.07010	12.3
107.08601	21.3
109.10163	46.1
111.08096	3.5
111.11713	4.3
113.09653	4.2
119.08572	16.5
121.10146	27.0
123.11713	22.8
125.02808	2.6
129.05557	3.1
133.10152	16.4
135.11684	17.3
137.13266	8.7
147.11739	14.3
149.13255	10.4
151.11246	3.3
151.14801	6.8
153.64293	2.7
154.67133	2.5
158.67543	2.7
161.13251	14.3
163.03802	2.7
163.14850	14.0
165.16405	8.9
175.14827	11.7
177.16379	3.8
179.14264	3.2
179.17979	6.1
181.15694	2.9
189.16423	5.4
203.17889	3.2
207.17329	3.4
215.47462	3.1
245.22647	51.0
263.23727	59.4
325.94565	3.0
337.27390	39.1
355.28342	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03939	2.6
55.01865	1.3
55.05511	7.3
57.07060	1.2
57.45080	0.7
57.67759	0.8
58.83854	0.7
65.03946	1.4
67.05514	4.1
69.03432	3.0
69.07063	3.9
70.41993	2.7
75.04483	3.6
75.96104	0.8
79.05500	15.7
81.03416	4.5
81.07069	12.5
83.04976	3.1
83.08617	1.3
85.02896	1.1
85.06567	0.8
91.05480	12.8
93.07055	33.6
95.04974	5.0
95.08617	5.7
97.02889	1.0
97.06525	1.3
97.10193	2.2
98.21473	1.0
99.04450	0.8
100.84599	0.8
105.07045	10.0
107.04990	1.0
107.08607	100.0
109.02882	1.6
109.06523	2.8
109.10174	2.0
111.04459	2.7
111.08102	0.9
117.07029	1.6
119.06061	1.4
119.08592	7.6
121.06538	1.6
121.10154	15.5
123.11743	1.4
125.09647	2.1
127.03931	1.1
129.67555	0.9
130.07841	0.7
131.08614	1.5
133.10155	1.9
135.08131	1.3
135.11708	76.9
137.05960	0.9
145.10147	5.4
146.69414	0.8
147.11717	2.9
149.13274	0.8
151.11189	1.2
153.12744	2.1
157.10040	0.8
159.11737	0.9
163.11200	18.3
165.12791	1.3
175.11142	1.8
181.12259	26.2
193.12170	0.8
249.19798	0.8
251.66748	0.8
294.56708	0.8
301.21649	1.6
319.22729	1.3
319.26279	1.2
323.09222	1.2
337.16647	1.0
355.12119	1.1
355.17352	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	355.1028
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
69.97289	1.7
79.05495	1.3
89.03925	6.8
107.04951	1.9
117.03399	10.7
121.02864	1.0
135.04430	16.9
145.02869	12.2
145.04021	0.8
163.03925	100.0
164.04222	1.0
168.00633	0.5
181.04944	0.6
205.05080	1.0
206.05713	0.5
221.59825	0.4
235.06087	1.4
259.05963	0.6
334.32578	0.4
337.09332	0.6
355.10358	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1025
Annotation	ST077074
Peak:m/z	Relative Intensity
54.64925	0.5
61.02886	0.7
67.01873	0.9
69.03438	0.8
70.82778	0.4
71.04594	1.1
75.53089	0.5
83.94000	0.5
85.02921	2.4
97.02886	0.9
109.02849	0.5
116.78138	0.5
121.02879	0.9
125.06053	0.5
137.06009	0.6
145.04945	0.5
147.04425	1.7
153.01775	0.6
163.03886	1.7
175.04002	0.6
193.04974	100.0
194.05296	0.8
219.02881	1.0
273.29980	0.5
294.05176	1.5
309.07513	0.7
337.06958	3.5
355.08078	3.4
355.17279	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1731
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
65.21308	0.4
69.49922	2.7
93.07048	1.0
95.08612	0.6
105.43556	0.4
107.08581	0.7
108.53923	0.4
121.10156	0.5
155.99522	0.4
168.30222	0.5
193.11961	0.8
203.05280	2.6
203.08815	0.4
222.02374	0.5
292.63113	0.5
355.17313	100.0
356.17596	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07112	0.4
55.05508	2.0
57.07061	0.6
61.02915	0.4
62.71403	0.4
67.05510	1.6
69.03433	1.6
69.07077	2.9
69.56517	3.1
71.04998	0.5
79.05499	0.9
81.03429	0.7
81.07069	4.0
83.04977	0.9
83.08630	2.6
85.02885	1.2
85.06500	0.5
91.05476	1.7
93.07038	2.3
95.04984	1.0
95.08617	3.7
97.02878	0.7
97.06545	0.7
97.10196	0.6
98.20838	0.7
99.04458	0.6
105.07030	1.5
106.33656	0.4
107.08603	1.6
109.02850	0.6
109.06524	0.9
109.10148	5.0
111.11732	0.6
119.04865	0.5
119.08598	1.3
121.10162	2.0
123.11694	2.1
123.34303	0.4
132.16653	0.4
133.10129	1.7
135.08018	0.8
135.11716	1.3
137.09669	0.7
137.13208	0.4
139.11116	0.5
143.08554	0.5
145.10141	1.0
147.08107	0.7
147.11696	1.1
149.09639	0.9
157.10199	0.5
158.16197	0.6
161.06087	0.6
161.13263	0.6
163.03857	1.0
163.11313	0.6
165.16402	2.8
175.14833	1.1
193.15854	2.1
203.05255	0.5
205.15927	0.9
277.98538	0.5
305.04230	0.5
337.20047	0.8
355.17291	100.0
356.17770	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1028
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
51.48601	0.6
56.59015	0.6
57.03435	1.3
59.05006	1.5
61.02925	1.1
67.01895	0.7
70.65957	1.9
80.86063	0.5
85.02913	3.0
92.52073	0.6
92.99743	0.6
97.02876	1.0
99.42662	0.6
103.03945	1.5
105.06988	0.5
109.02924	1.0
117.03400	0.9
119.04914	0.7
121.02872	1.0
131.08534	0.6
135.04424	1.4
145.02850	0.7
147.04401	0.9
151.03951	0.7
161.05995	1.9
163.03941	6.6
165.01819	1.1
167.03398	0.9
167.85362	0.6
169.02879	0.6
169.04956	0.6
177.05554	1.3
189.05490	16.9
191.14406	0.9
192.04199	1.3
193.04982	7.8
193.14713	0.7
195.02901	1.2
199.07625	0.7
201.05560	1.1
203.07066	8.1
205.04994	100.0
206.05760	7.0
207.06430	1.1
215.07039	1.1
217.05005	12.4
217.08571	1.9
219.02951	1.2
219.06534	1.7
227.06993	3.1
229.05014	3.9
230.05800	1.3
231.02882	1.9
231.06551	20.5
231.08873	1.0
233.04404	0.7
235.06046	73.3
236.06471	1.0
243.06516	2.0
245.08138	9.6
255.06601	3.5
259.06061	35.9
271.06070	9.4
273.07571	1.8
283.06024	10.9
289.07126	23.5
301.07111	15.0
319.08224	13.1
337.09378	9.0
350.33618	0.7
355.10321	9.1
355.14130	0.9
370.99710	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.337
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05516	10.9
56.05033	2.2
57.07080	13.9
57.47987	1.7
58.02980	2.2
58.06610	18.0
60.04527	2.7
67.05516	8.6
69.07079	21.1
70.02953	3.3
70.06580	8.5
71.04991	1.4
71.08638	9.1
72.04521	3.4
74.06121	2.9
79.05515	2.0
81.07063	13.9
82.06583	2.0
83.08626	14.4
83.20930	1.4
84.08150	5.7
85.10224	3.4
86.06090	4.8
87.06852	1.8
93.07056	3.2
94.06569	1.9
95.08623	19.6
97.06537	1.7
97.10168	8.9
98.09720	1.8
103.07591	1.6
109.10188	7.8
111.11723	4.4
123.11723	3.5
141.74371	1.3
213.31714	1.3
216.31668	1.6
249.88144	1.5
302.40121	1.5
306.31589	3.6
307.29953	2.0
308.33145	4.9
326.34146	4.1
336.32642	10.4
354.33719	100.0
355.33963	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	354.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.0
56.60785	2.7
57.06369	2.8
57.07096	2.9
57.88794	3.2
67.05508	15.2
69.07057	10.7
70.06591	10.8
71.41582	5.4
79.05495	4.4
81.07048	12.3
83.08631	5.6
85.08892	2.9
88.07618	13.0
91.05501	5.0
93.07026	5.5
95.04956	3.5
95.08614	12.2
105.07048	5.9
106.08660	6.6
107.08585	4.6
109.10125	3.9
110.18548	2.9
119.08578	7.1
129.07030	4.3
131.08559	3.8
133.10107	3.5
157.10126	7.4
184.46371	3.1
199.14732	3.6
207.47557	3.3
217.15872	6.3
220.20134	3.2
248.29004	3.0
336.28671	4.3
336.32590	3.6
354.33759	100.0
367.32199	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	354.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07003	0.6
53.70889	0.5
55.01868	1.6
55.05507	0.7
57.03447	3.7
62.78600	0.5
67.05493	1.8
69.07043	0.6
71.05003	3.1
71.50147	0.9
73.02914	3.6
83.04976	0.6
85.02451	0.6
85.02884	3.7
85.06554	6.1
93.15845	0.6
95.04977	6.3
97.02854	0.6
97.06529	1.5
101.02383	12.9
103.97978	0.5
111.08083	2.3
113.06011	100.0
117.03425	1.2
119.04901	0.8
123.04487	0.6
127.03862	0.9
129.09138	0.7
131.07051	46.3
135.04442	2.1
136.06203	0.7
139.03944	1.4
139.07538	6.2
145.02844	1.7
145.04930	1.0
147.04451	0.9
157.08588	5.6
163.03920	9.8
175.09692	6.5
213.65096	0.6
215.59535	0.5
250.07907	0.6
354.19299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
57.03426	2.8
67.05504	1.7
69.03437	1.3
69.07073	2.0
69.71938	1.8
69.72340	1.3
71.05000	6.2
72.15057	0.5
72.81274	0.6
73.02924	3.1
79.05503	0.8
79.76952	0.6
81.03431	0.6
83.04997	0.8
85.02906	2.9
85.06564	4.7
86.09740	0.6
93.07032	0.9
95.04961	4.6
97.02925	0.9
97.06541	1.0
101.02390	17.5
101.03042	1.0
111.08092	1.8
113.06014	100.0
115.07572	4.5
117.03428	0.7
119.04916	0.6
131.07053	38.6
135.04393	1.8
139.03889	0.6
139.07562	5.7
145.02994	0.6
147.04442	2.8
157.08624	10.1
163.03915	8.7
175.09673	10.3
192.06659	0.8
192.13860	0.8
193.04927	3.5
196.55382	0.5
205.05040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2689
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
55.05508	18.0
57.07066	4.3
67.05519	21.2
69.03423	5.9
69.07072	27.0
69.36448	4.6
71.04986	6.9
71.53139	5.6
71.53517	4.0
77.47362	4.0
79.05487	18.3
80.34865	4.3
81.03389	4.2
81.07055	73.5
83.04971	17.1
83.08614	15.3
85.02901	5.5
85.06541	15.4
87.04474	4.3
91.05492	16.5
93.07067	43.1
95.04975	5.8
95.08621	40.5
97.02863	6.1
97.06553	10.3
99.04446	8.4
99.08108	6.0
105.07038	58.5
107.08604	52.1
109.06520	15.5
109.10157	36.5
111.11763	5.0
119.08607	30.8
121.06458	8.2
121.10146	34.4
123.04424	6.4
123.08060	6.3
123.11716	70.2
126.03761	4.4
131.08600	6.4
133.10107	28.6
135.11696	39.3
137.13229	6.4
142.65245	4.6
145.10118	6.1
147.11697	85.4
149.09572	12.9
149.13271	13.1
151.11165	17.0
157.10138	9.0
159.11716	5.4
161.13278	8.6
163.11133	6.0
163.14832	8.3
163.62068	4.2
165.12762	68.1
175.11188	9.7
177.12720	4.6
183.13803	6.6
193.12291	66.3
195.13799	8.3
203.18027	5.4
207.13776	6.6
214.00430	4.2
223.17186	4.4
226.07268	4.8
229.14290	54.2
243.15935	6.2
275.23633	5.1
299.23578	6.4
317.24783	100.0
335.25864	42.6
353.10101	9.6
353.13901	11.4
353.19019	4.3
353.23038	17.2
353.27182	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03936	3.8
55.05513	15.3
57.03421	6.2
57.07062	7.1
67.05508	82.7
69.07067	16.6
71.05000	2.1
71.08632	3.8
75.04453	2.3
79.05493	54.6
81.07059	100.0
83.08604	8.2
85.06531	5.2
85.10147	3.6
91.05484	24.2
93.07047	62.1
95.04944	2.6
95.08606	76.8
97.06523	2.3
97.10162	2.9
99.08086	5.8
103.06990	2.0
105.04465	2.1
105.07047	22.7
107.08595	45.6
109.06513	2.7
109.09471	2.8
109.10162	33.4
111.08046	2.7
113.09641	5.0
117.07025	9.0
118.71334	2.0
119.08588	15.3
121.10146	31.3
122.44256	1.9
123.11705	17.7
131.08586	21.2
133.10129	10.3
135.08096	3.3
135.11687	29.8
137.09599	2.4
137.13251	7.1
145.10143	18.6
147.11697	14.5
149.09598	2.4
149.13255	21.1
151.11140	1.8
151.14838	4.7
159.11694	16.0
161.13243	9.6
163.14838	12.8
165.06810	1.8
165.12924	2.2
166.70871	1.8
173.13301	12.2
175.14810	5.9
177.12669	2.9
177.16380	6.1
187.14807	11.5
215.17845	2.1
230.50464	2.0
233.22624	6.8
243.18796	3.2
243.21082	32.8
261.22147	88.0
263.23727	2.2
279.23138	4.8
335.26001	13.6
353.26688	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.05509	13.7
57.03426	5.1
57.07065	4.5
65.03935	2.8
66.12878	1.6
67.05508	77.7
69.07076	13.7
70.65155	3.4
71.04987	4.7
71.08581	1.8
77.03519	1.4
77.03909	1.5
79.05496	34.9
81.07059	84.9
83.04977	2.1
83.08607	7.9
85.06535	2.6
89.11834	1.7
89.30936	1.4
91.05489	20.4
93.07048	53.2
95.04930	2.3
95.08610	61.4
97.06556	2.1
97.10144	4.3
99.08113	2.6
105.07022	16.9
107.08601	36.6
109.06516	3.3
109.10152	34.1
111.08058	3.2
117.07003	6.9
119.08572	14.9
121.10143	31.5
123.11714	19.0
128.99129	2.1
131.08580	19.5
133.10155	15.1
135.11688	27.3
136.81247	1.6
136.82707	1.7
137.09567	2.6
137.13216	8.0
145.10109	15.0
147.11710	11.6
149.13263	19.3
151.14771	2.7
159.11691	14.8
161.13249	11.9
163.11140	2.1
163.14821	14.6
173.13258	16.7
175.14848	2.7
177.16391	4.9
187.14828	8.5
201.16420	2.8
205.16028	1.6
233.22737	3.6
243.21097	24.1
250.53130	1.4
261.22159	100.0
263.23642	2.5
279.23242	4.4
335.25732	10.3
335.70599	2.0
353.26825	33.5
358.62991	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03931	2.0
55.05514	15.3
57.03428	6.9
57.07084	4.1
65.03959	2.3
67.05508	85.3
69.07074	11.6
69.29124	11.5
69.29525	2.6
79.05066	2.8
79.05495	35.4
81.07061	81.9
83.05001	2.1
83.08620	7.6
84.95020	1.9
85.06540	3.6
91.05481	18.9
93.07046	44.8
95.08614	70.0
97.10170	2.8
98.21608	3.3
99.08042	1.6
105.07041	13.7
105.89589	1.8
107.08596	33.4
109.06518	2.4
109.10158	32.3
115.07509	1.7
117.07021	6.4
118.23931	1.9
119.08598	13.2
121.10155	28.8
123.11722	20.6
131.08577	19.2
133.10144	11.7
135.11688	20.5
137.09666	2.2
137.13242	7.1
145.10118	14.5
147.11700	11.9
149.13269	18.0
151.11217	2.2
151.14815	2.0
159.11740	12.0
161.13260	8.2
163.14804	13.5
173.13283	13.1
177.16388	3.4
179.14351	2.7
187.14767	8.0
201.16313	2.7
223.16809	2.0
231.09352	1.7
243.21126	26.0
254.59641	2.1
261.22159	100.0
279.23190	9.6
335.21979	2.6
335.25766	19.3
353.26981	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
53.26839	0.9
55.01849	0.8
55.05278	1.0
55.05516	12.4
57.03426	3.6
57.07076	4.8
65.03931	2.9
65.77647	0.7
67.05508	81.0
69.07075	11.7
70.42370	0.8
70.42745	2.8
71.04996	2.1
71.08624	1.9
75.04485	1.0
77.03924	1.1
79.05496	39.4
81.07061	89.5
83.04990	1.6
83.08624	7.0
85.06531	2.5
87.81356	0.7
91.05488	20.2
93.07050	56.1
95.04961	2.1
95.08612	66.0
97.06517	3.4
97.10183	4.2
99.08094	2.5
103.32006	0.7
105.04520	1.3
105.07040	16.9
107.08603	38.2
109.06531	1.3
109.10163	32.5
111.08056	2.8
111.11746	1.1
113.09646	1.9
115.05399	0.8
117.07024	8.2
119.07814	1.0
119.08598	13.4
119.09380	1.5
121.10152	30.4
123.08084	1.8
123.11715	16.2
125.09637	1.9
131.08575	20.6
133.10139	13.4
135.10692	1.8
135.11705	26.1
135.12727	1.6
137.09599	1.6
137.13260	7.1
137.75108	0.7
139.11169	1.1
145.10129	15.4
147.11693	11.3
149.12051	1.0
149.13260	20.8
150.17671	0.9
151.11111	1.2
151.14880	2.3
153.12750	1.8
159.11699	14.6
161.13252	8.1
163.11247	0.8
163.14851	12.8
165.12749	2.2
173.13283	14.2
175.14839	3.1
177.12741	1.5
177.16417	4.5
179.14304	2.5
187.14844	10.2
189.16423	1.1
191.14334	1.9
201.16443	2.0
203.29768	1.0
205.15921	1.4
205.96703	1.0
215.18018	1.3
219.17511	1.0
233.22644	4.5
243.21091	31.1
261.22159	100.0
262.22546	2.1
263.23755	1.5
279.23141	4.6
282.58850	1.0
317.24734	1.2
335.25836	9.2
351.27823	0.9
353.26889	37.3
356.88293	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03947	1.9
55.01842	0.8
55.05511	11.8
57.03437	6.1
57.07077	4.4
59.04433	0.6
65.03950	2.6
67.05505	85.7
69.07072	12.9
71.04994	2.2
71.08636	1.0
75.04503	1.0
77.03899	1.0
77.21107	0.6
79.05495	42.2
81.07057	95.5
83.04964	1.3
83.08617	8.4
85.06544	2.9
91.05482	18.1
93.07047	52.0
95.04967	2.1
95.08608	70.2
96.01327	0.7
97.06548	2.6
97.10152	4.1
99.08103	1.9
105.07032	17.2
107.08597	32.6
109.06548	1.9
109.10160	38.2
111.08086	1.4
111.11742	0.9
113.09695	1.5
117.07029	8.1
119.08583	14.5
121.10147	29.4
123.08109	1.8
123.11709	22.9
125.09602	1.2
128.73538	0.7
129.07008	0.7
131.08583	17.0
133.10141	12.2
135.11693	25.6
137.09656	1.4
137.13268	7.4
139.11230	1.5
145.10127	14.4
147.11681	11.4
147.12787	0.8
149.09612	0.8
149.13268	21.1
151.11206	1.6
151.14838	1.9
153.12755	2.0
159.11688	14.7
161.13271	8.9
163.11212	1.1
163.14835	12.9
165.12801	1.8
165.16434	0.7
173.13258	15.7
175.14853	2.8
177.12744	1.1
177.16364	5.8
179.14320	2.2
187.14824	9.4
189.16359	0.8
191.14418	1.6
201.16420	3.6
205.15903	1.7
215.17992	1.8
223.16814	0.7
233.22612	4.4
243.21098	29.2
245.22475	0.6
261.22147	100.0
262.22519	1.0
263.23642	1.8
279.20273	0.9
279.23178	6.9
310.64243	0.6
317.24823	1.5
335.25800	16.9
353.26883	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03939	2.5
54.73157	2.0
55.05516	15.6
57.03418	4.1
57.07064	7.5
59.31604	2.0
60.58629	1.9
65.03948	3.5
67.05510	91.0
69.07079	12.8
69.48772	12.6
71.05002	3.6
71.08618	3.6
75.04488	2.5
79.05499	51.9
81.07065	96.2
83.04990	1.8
83.08611	10.3
85.06538	2.4
85.10183	4.2
91.05489	29.4
93.07052	72.5
95.04972	2.7
95.08614	79.3
97.06499	3.9
97.10172	3.1
98.21397	3.9
99.08096	6.2
105.06461	2.2
105.07044	18.3
107.04943	2.0
107.08599	45.0
109.10170	31.3
113.09644	4.2
117.07024	8.4
119.08596	15.7
120.08809	2.2
121.10152	35.7
123.11714	17.0
130.07716	2.3
131.08569	21.8
133.10146	13.0
133.44551	1.8
135.07965	2.0
135.11707	32.4
137.13252	6.9
145.10127	18.4
147.11684	11.2
147.12685	2.1
149.09650	4.9
149.13274	22.5
151.14774	5.6
153.12791	2.7
159.11711	16.3
161.13260	8.0
163.11070	4.0
163.14839	18.5
165.16495	2.5
173.13249	17.3
175.14786	6.0
177.16386	8.0
179.14232	2.9
179.49333	2.1
187.14786	10.8
201.16505	3.9
230.96951	2.0
233.22632	8.6
243.18805	3.8
243.21088	40.5
261.22165	100.0
275.96207	1.7
279.23065	5.2
334.92831	1.9
335.25784	13.8
353.10324	1.9
353.26981	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.8
53.03938	3.2
54.10579	0.9
54.59031	0.8
55.05513	10.8
57.03439	4.2
57.07063	3.6
59.09170	1.0
62.96132	0.8
65.03932	2.7
67.05508	66.9
69.06737	1.0
69.07076	12.1
69.52919	5.5
71.04979	2.9
71.08604	1.2
79.05499	34.2
81.07062	79.5
83.08621	6.2
85.06541	3.8
89.48265	0.8
91.05483	19.3
93.07050	53.5
95.04984	2.1
95.08611	56.1
97.06518	2.5
97.10170	2.9
98.21571	1.6
99.08091	1.9
105.04509	1.7
105.07034	17.5
107.07877	1.7
107.08600	33.0
109.06512	1.8
109.10165	34.6
111.08066	1.4
117.07044	7.2
119.08582	14.2
121.09338	1.8
121.10156	27.2
123.08061	1.8
123.11721	16.7
131.08578	18.2
133.10153	11.8
135.11693	28.0
137.09590	0.9
137.13271	8.2
139.11208	1.0
141.12766	0.9
144.35107	1.1
145.10136	12.4
147.11716	11.5
149.12195	1.6
149.13269	18.3
151.11140	2.1
151.14775	2.2
153.12724	1.5
159.11710	11.9
161.13275	8.6
163.11182	1.1
163.14832	12.4
165.12749	2.4
167.14383	1.0
173.13278	13.3
175.14833	4.1
177.12846	1.9
177.16469	5.2
179.14241	1.6
187.14821	7.5
201.16425	3.5
205.15816	1.9
219.17348	1.2
233.22583	4.7
243.21103	25.5
261.22156	100.0
262.22565	0.9
263.23770	1.1
279.23264	3.2
335.25842	9.9
353.26877	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.66798	2.1
53.03944	2.5
55.05513	12.6
57.03421	7.1
57.07077	3.6
57.48897	2.4
65.03929	2.8
66.61843	2.4
67.05508	95.1
69.07074	12.2
71.04977	2.4
79.05493	40.2
81.07061	98.8
83.04974	2.3
83.08622	8.9
85.06553	3.4
91.05482	19.9
93.07050	52.1
95.04981	3.1
95.08615	78.5
97.06508	4.3
97.10143	4.2
98.21564	4.0
101.45274	2.1
105.07034	18.1
107.08602	36.5
109.10168	37.9
109.47803	2.2
117.07019	9.5
119.08603	14.0
121.10165	27.2
123.11712	19.6
131.08595	19.5
133.10156	13.7
135.11679	23.1
135.17119	2.3
137.09627	2.8
137.13257	7.6
139.11137	3.4
145.10123	13.8
147.11714	11.4
149.13283	18.4
159.11696	15.6
161.13226	11.5
163.14865	13.3
173.13289	16.0
177.16408	3.9
187.14836	10.4
205.46338	2.6
233.22618	4.6
243.21072	23.3
261.22150	100.0
279.23120	5.2
335.25977	14.8
353.26865	30.5
372.96655	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.05522	5.3
57.07080	7.5
59.04991	1.6
64.43346	1.2
67.05507	9.6
68.55844	1.1
69.03420	3.3
69.06729	2.2
69.07078	26.6
70.97414	1.7
70.97740	1.9
71.08659	1.5
73.93819	1.0
79.05493	5.9
80.66164	1.1
81.07067	100.0
83.08631	6.3
85.02919	10.0
85.06552	29.7
93.07059	1.5
95.08620	51.2
97.02885	1.9
97.10196	1.6
99.08105	24.1
101.06731	1.3
109.10173	4.2
109.10854	1.0
111.11723	7.0
125.13273	1.8
127.03976	1.4
137.13278	40.9
143.14323	8.1
155.14325	83.3
173.15402	81.9
191.14697	1.8
191.16466	31.2
213.75253	1.1
271.14133	1.2
332.17938	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.3
57.03431	2.2
57.07076	3.0
58.06123	2.3
58.85768	1.9
60.32527	2.2
61.02933	4.2
67.05508	10.4
69.03437	16.3
69.07071	35.2
71.05027	3.6
71.11785	3.7
73.02923	2.0
75.39482	1.7
79.05508	6.8
79.06718	1.9
81.03439	4.1
81.07065	97.4
83.08624	2.6
83.42710	1.9
85.02921	23.4
85.06540	3.5
86.09716	2.4
91.05486	4.2
93.07052	7.6
95.08072	2.6
95.08620	38.5
97.02900	7.0
97.06570	3.3
97.10175	4.3
100.70781	2.3
105.07028	6.7
107.08600	11.0
109.06521	2.0
109.10179	6.2
111.08075	5.7
111.11736	43.0
119.08617	4.2
121.06499	2.7
121.10173	8.1
123.08096	5.8
123.11778	2.5
127.03915	4.8
131.08583	8.3
133.10136	5.4
135.08075	14.7
135.11658	3.7
137.13268	48.0
145.04987	2.7
145.10141	2.6
147.04396	3.1
147.11740	5.6
149.09653	10.4
153.96613	2.3
155.14325	43.8
158.10861	2.6
163.06006	3.6
163.14903	2.6
173.13286	14.7
173.15401	34.9
176.12190	2.3
182.36453	1.9
191.14334	100.0
223.64896	2.3
350.77966	1.9
353.13287	4.8
353.19800	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	353.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11406	0.7
53.03957	0.6
53.43343	0.5
55.01846	0.9
55.05508	2.0
57.03421	1.5
57.07066	0.8
61.02904	0.7
67.05490	2.4
69.03433	15.6
69.07072	15.3
69.07452	0.4
69.28212	0.5
69.70381	3.5
71.04980	1.8
73.02911	1.3
79.05513	2.8
81.03408	2.0
81.07066	10.1
83.04969	2.5
83.08620	1.3
84.67371	0.6
85.02913	11.5
85.06532	1.4
85.90321	0.6
89.18977	0.6
91.05479	2.3
93.07068	3.5
94.98148	0.7
95.08624	7.6
97.02893	2.6
97.06530	0.8
98.21574	1.0
99.04430	1.0
104.69083	0.6
105.07030	3.6
107.08605	10.4
108.30676	0.5
109.02889	1.4
109.06533	2.7
109.10197	1.3
111.08089	5.6
111.11716	1.9
117.07034	0.9
119.08579	5.5
121.06504	1.0
121.10157	6.6
123.08068	3.2
127.03932	3.7
131.08569	6.8
133.06467	0.8
133.10141	6.7
135.08061	14.8
135.11684	2.5
137.09610	1.1
137.13245	2.2
143.08554	1.2
145.04991	0.7
145.10126	3.7
147.11687	4.3
149.09634	7.2
149.13239	2.0
150.10359	1.0
155.14293	2.6
158.10954	3.6
161.09596	0.6
163.14848	4.2
173.13283	16.4
173.15456	1.4
175.14874	0.7
191.14319	100.0
192.14597	1.0
201.47063	0.5
317.99457	0.6
325.60684	0.6
331.36438	0.6
353.19666	12.5
362.79794	0.7
369.34885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
53.73167	0.8
55.01856	1.3
55.05498	3.5
57.03426	1.7
57.07074	0.9
58.65233	0.9
59.04989	0.9
61.02924	1.7
67.05516	4.7
69.03092	1.2
69.03439	19.8
69.07078	14.9
71.04993	6.8
71.53789	1.4
73.02906	2.0
79.05495	4.1
81.03422	4.9
81.07067	11.0
83.04990	5.2
83.08611	2.1
85.02911	15.1
85.06532	2.0
86.03276	1.0
87.04460	0.8
91.05479	5.2
93.07057	6.5
95.04990	2.4
95.08619	11.1
97.02912	6.3
97.06525	2.9
98.97594	1.0
99.04433	1.4
105.01870	1.4
105.07043	8.2
107.04972	1.5
107.08597	14.8
109.02883	2.0
109.06523	3.1
109.10174	5.0
111.04479	1.3
111.08085	7.2
117.06972	1.7
117.83082	0.9
119.08582	8.7
121.06516	3.2
121.10158	11.2
123.08053	6.2
123.11695	3.4
127.03953	5.7
127.11252	1.0
131.08574	10.0
133.06503	1.0
133.10153	14.2
135.08067	14.7
135.11717	5.7
137.09637	6.2
143.08473	2.0
145.04945	2.3
145.10138	2.6
147.04433	1.8
147.11707	5.1
149.09633	6.1
149.13283	4.6
151.11186	2.6
155.14310	2.5
156.10995	1.0
158.10873	3.5
161.09624	1.5
161.13257	1.2
163.14861	6.7
167.07072	1.0
171.11722	0.9
173.09631	1.1
173.13280	21.6
173.14775	1.7
173.15385	0.9
175.14801	2.6
185.61259	1.0
191.14322	100.0
193.15924	1.3
203.14598	0.9
209.15308	1.3
297.07562	1.5
325.06931	2.5
335.18442	2.7
353.06497	2.9
353.15585	3.0
353.19568	15.5
374.98016	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20625	0.9
53.03953	1.8
55.01861	2.5
55.05507	2.8
57.03428	5.1
57.07076	1.1
59.04994	1.1
61.02930	4.4
67.05508	3.5
69.03434	23.3
69.07069	3.9
70.06633	0.8
70.69110	1.8
71.01360	1.4
71.04987	3.4
73.02914	3.4
79.05496	3.6
81.03417	11.2
81.07063	7.9
83.04988	2.2
83.08599	1.3
84.08144	0.8
85.02908	63.6
85.06541	2.2
87.04472	27.9
91.03960	2.4
91.05473	3.9
93.07053	5.2
95.04994	5.2
95.08605	7.2
97.02897	16.6
97.06514	1.2
99.04475	5.0
101.02375	2.0
103.03946	2.3
105.07030	5.2
107.04946	0.9
107.08604	9.3
109.02885	10.0
109.06529	3.4
109.10143	4.7
111.04462	1.4
111.08087	2.6
113.06011	0.8
115.03937	100.0
117.07037	2.1
119.08623	3.9
121.06536	1.5
121.10158	7.0
123.08098	2.7
123.11722	7.6
124.07597	0.9
125.05986	1.0
125.09638	1.1
127.03921	28.0
127.04818	1.6
129.05447	1.0
131.08563	4.7
133.04973	21.2
133.06509	1.3
133.10138	4.0
135.08083	2.0
135.11688	3.8
137.05988	2.1
137.09589	1.5
139.07564	0.8
143.07027	0.9
143.08554	1.5
145.04973	26.1
145.10132	2.4
146.05997	1.7
147.04434	2.5
147.08023	1.2
147.11694	2.3
149.13284	4.6
153.09062	2.4
155.07018	1.2
156.11012	1.2
158.82176	0.9
159.11736	1.0
161.13289	1.5
163.06050	5.3
163.07303	1.0
163.14819	2.4
167.06950	1.5
171.10292	1.0
173.13251	6.1
175.14825	2.7
179.10738	1.2
179.14359	1.5
191.14304	4.5
197.61162	0.9
201.10326	1.6
203.14401	1.1
209.15390	2.4
241.07274	1.0
259.08163	7.2
277.09119	5.2
353.20108	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	353.0848
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
52.00033	2.0
56.77086	2.0
70.42566	3.8
70.42957	4.4
85.02918	3.2
97.02892	2.1
98.97601	5.4
100.07600	2.9
103.77328	2.1
127.03892	3.2
143.01892	2.5
146.08109	5.4
185.03078	2.4
192.05707	2.4
195.06308	2.3
233.05055	3.4
245.05186	4.8
251.00648	2.0
311.06531	6.4
353.08481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	28.0
57.03425	3.3
58.94169	1.7
61.02931	3.8
62.49035	1.5
69.03435	5.3
69.05128	1.4
70.34408	5.7
70.98119	3.3
71.01366	1.4
71.95245	1.5
73.02926	2.4
79.50460	1.5
81.03398	3.1
84.96049	15.8
85.02920	13.8
91.05499	4.7
97.02902	5.0
97.96784	2.0
98.97596	89.9
110.97591	10.1
112.99136	5.2
116.98634	26.9
117.01861	3.4
119.01868	1.6
119.04958	4.5
124.99120	10.1
127.01582	1.6
127.03933	3.9
128.98618	9.4
131.00188	5.8
132.00748	1.6
133.01634	1.6
134.99681	4.2
136.99077	1.7
138.54128	1.8
139.00638	3.2
139.03966	2.8
140.98605	4.1
141.99350	2.3
143.00162	13.8
143.01906	1.8
144.98083	2.7
145.03497	1.8
145.04941	1.9
146.99687	4.2
147.01332	1.6
147.04422	16.5
147.90503	1.6
149.01245	3.5
154.00240	2.6
154.93158	2.2
154.96541	3.2
155.00156	3.8
157.01678	3.4
158.99687	10.8
161.01224	5.8
161.03058	1.6
163.03944	2.4
170.99599	2.8
172.97603	5.3
173.01173	8.5
173.02646	1.6
175.02824	2.5
177.00720	4.8
182.99623	3.7
187.00836	2.0
189.00832	2.6
189.04352	1.7
190.98651	6.1
191.02304	3.0
196.01323	5.8
201.00739	4.4
205.00189	3.0
205.01874	3.7
208.99760	4.3
214.98621	2.9
219.01736	10.9
221.09203	2.6
226.02209	1.6
232.99770	7.7
233.03270	7.7
235.02766	1.6
237.02808	8.2
245.05084	4.0
251.00676	2.5
251.04457	18.5
256.03491	1.6
260.99881	1.9
261.02875	3.9
269.05478	33.2
269.08353	1.9
275.00754	3.5
287.06403	4.5
293.02173	2.4
293.05420	56.2
311.06467	100.0
329.07660	3.6
334.08047	2.8
335.02988	1.9
371.13733	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	352.2848
Annotation	Melophlin R
Peak:m/z	Relative Intensity
55.05499	1.7
56.05027	1.7
56.46589	0.4
58.75908	0.4
63.12524	0.4
67.05494	1.5
69.07072	3.5
71.05383	1.0
72.85485	0.4
74.06086	5.1
79.05070	0.4
79.05477	2.4
81.07063	2.7
83.08606	0.6
85.06567	0.5
91.05475	1.0
93.07040	3.4
95.08610	3.1
97.10175	0.4
105.07025	1.5
107.08614	3.6
109.06414	0.4
109.10196	0.8
112.62621	0.4
119.08584	3.0
121.10144	1.6
128.10739	0.6
133.10091	2.2
135.08046	0.5
135.11734	1.1
137.13235	0.4
142.12254	1.9
145.10139	0.5
147.11687	1.9
149.13235	1.4
152.10764	0.5
159.11684	0.6
161.13271	2.8
163.14900	1.0
164.13089	0.4
166.12369	0.5
173.57782	0.4
175.14905	0.8
189.16486	0.4
206.15419	9.0
206.17186	0.8
208.16972	3.1
217.19508	0.9
222.18571	4.5
224.20088	0.9
282.20691	0.7
292.23080	0.6
320.25720	1.1
320.46509	0.4
334.27576	0.6
352.28473	100.0
353.28726	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.0
56.60170	1.6
57.03415	1.9
57.07076	14.7
59.04995	4.9
67.05495	5.7
69.03427	2.7
69.07072	9.4
69.85142	6.7
77.35997	1.3
79.05479	6.4
81.07066	100.0
83.08669	1.4
85.02914	10.7
95.04986	1.5
95.08620	34.1
97.02873	2.5
97.10166	1.3
99.08097	3.5
107.08586	1.5
109.10151	2.2
111.03240	1.4
111.06479	1.3
111.11711	4.4
119.27589	1.4
124.71371	1.5
127.03905	3.5
133.06503	2.1
134.06847	2.3
137.13268	43.4
145.04977	2.1
155.14320	74.5
159.09209	2.3
162.18597	1.4
173.15398	15.3
191.08147	4.5
192.08531	3.8
193.08682	2.9
197.59184	1.6
208.26462	1.4
249.44734	1.5
309.13443	4.0
316.69580	1.4
334.16306	2.7
352.13757	6.7
352.17590	11.0
353.15741	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	352.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.1
67.05499	3.1
69.03436	4.6
69.07083	5.0
71.08635	52.7
71.54568	3.3
81.07073	5.3
85.02905	6.1
85.06503	2.3
91.05468	2.7
95.08616	3.0
99.08099	100.0
107.08616	3.1
120.04469	4.6
129.12772	13.9
155.14296	19.4
173.15378	55.0
294.94235	1.8
312.23825	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1757
Annotation	(12S)-12-hydroxyretroisosenine
Peak:m/z	Relative Intensity
54.32542	0.5
55.05502	1.0
57.03442	1.0
57.07082	16.9
58.06585	2.3
62.07682	0.5
68.05036	2.7
69.07074	0.6
69.58810	3.5
70.06608	4.6
74.06084	8.5
79.05506	0.5
82.06587	2.2
83.05010	0.5
83.07356	2.1
85.06547	0.6
93.03404	1.1
95.08625	0.7
98.84614	0.5
117.07066	0.6
124.07577	1.3
129.07053	0.6
131.08600	0.6
134.81667	0.5
145.06496	1.7
147.04414	5.5
147.08044	0.7
157.06433	0.6
159.08014	1.1
161.06015	1.2
171.08055	1.2
173.05998	6.2
175.03850	2.4
175.07538	1.7
177.05574	0.5
181.06474	0.6
183.08147	0.6
183.11652	0.8
185.05994	1.1
185.09616	1.0
186.09119	1.0
187.07573	1.0
189.09114	1.9
193.04935	0.6
193.10141	0.5
197.09657	1.5
198.10539	0.6
199.07629	0.9
201.05505	4.5
201.09195	1.3
203.07039	1.5
203.10664	1.2
204.10272	1.6
211.07625	1.7
211.11157	2.9
212.08394	0.8
213.09097	2.8
213.12762	0.8
215.07112	1.1
215.10670	1.1
219.06590	3.0
224.08357	1.8
225.09024	0.6
226.09955	2.3
228.07933	0.6
229.04840	1.3
229.08534	0.8
229.12238	3.1
231.10185	10.1
232.09669	0.6
233.08203	1.1
233.11705	0.6
239.10681	5.0
241.08601	1.8
241.12462	3.3
243.10191	0.6
247.09700	1.1
249.09119	0.7
250.10782	13.5
257.11755	6.8
257.14160	0.9
259.09741	3.3
259.13303	1.2
267.10214	1.0
268.11823	6.6
270.14944	1.1
272.16516	0.6
273.11200	1.7
285.11310	4.6
287.12509	0.8
288.15997	4.1
298.14474	0.6
303.12067	0.6
316.15479	18.2
334.16522	41.8
335.16708	0.6
352.17575	100.0
353.17789	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88846	0.6
55.05510	1.1
56.05025	0.7
57.03428	1.4
57.04091	0.6
57.05805	0.5
57.07082	15.8
58.06595	2.0
60.41888	0.5
61.67520	0.6
68.05031	2.5
69.07066	1.3
70.06599	3.0
71.08331	1.0
74.06086	7.2
81.07083	0.7
82.06569	2.4
83.05002	1.2
83.07365	2.5
84.08126	0.6
85.02906	1.3
85.06558	1.5
93.03363	1.3
93.07071	0.8
95.08617	1.5
97.06529	0.8
103.26527	0.6
105.88963	0.5
109.10200	3.2
109.64491	0.6
111.08123	0.6
112.32584	0.7
115.05450	0.7
119.08569	1.0
124.07577	1.3
127.11227	0.9
129.07039	1.1
131.04922	0.7
135.08141	0.7
137.09631	1.8
142.12370	0.8
143.08501	0.6
145.06514	1.9
147.04387	5.2
155.10670	6.8
157.06485	0.8
157.10089	1.1
159.08029	0.9
161.09618	0.7
164.31395	0.6
167.08667	0.6
171.08064	1.3
173.06003	6.2
173.11713	1.4
175.03914	1.7
175.07539	2.2
177.05571	0.6
184.05095	0.7
184.94859	0.7
185.06001	1.0
185.09679	1.2
187.07556	0.9
189.09138	1.3
191.07076	0.8
193.05000	0.7
193.10170	0.7
198.06790	0.7
198.10396	0.7
199.07539	1.1
201.05461	3.6
201.09254	1.1
203.07088	1.2
203.10799	1.4
204.10176	1.1
208.50822	0.7
211.07553	2.2
211.11150	2.0
212.08345	1.2
213.09077	2.9
215.10693	1.3
219.06523	2.3
224.08344	1.1
226.09866	2.1
228.07881	0.9
229.04851	1.6
229.08612	1.0
229.12303	2.5
231.06570	0.8
231.10217	7.9
233.08112	1.4
239.10678	4.4
241.08595	1.1
241.12209	2.3
247.09639	1.2
249.09164	0.9
250.10770	13.0
257.11798	5.5
257.14194	1.1
259.09668	2.8
259.13370	1.4
267.10205	1.3
268.11859	5.8
270.14914	1.1
273.11191	1.8
285.11224	5.2
288.15958	3.4
316.15479	19.0
324.09595	0.9
334.16507	41.9
352.17569	100.0
353.18036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.2
55.01864	6.9
55.05511	2.2
57.03431	6.7
57.07073	3.3
61.02927	7.1
63.92741	1.4
65.79254	1.6
67.05498	2.1
68.99796	2.9
69.03085	2.5
69.03432	30.7
69.07075	57.0
69.22245	7.9
69.22669	7.5
70.06612	1.9
70.09963	1.6
71.01338	1.8
71.04993	7.0
71.15946	1.7
72.08164	2.5
73.02916	6.7
74.40112	1.7
79.05521	1.6
81.03429	22.2
81.07059	10.8
85.02910	100.0
85.06536	5.3
86.09698	3.3
87.00835	43.7
87.04443	2.1
91.03973	2.8
91.05486	4.5
93.07052	6.3
95.04967	1.5
95.08605	4.9
97.02903	47.4
97.06524	3.5
98.21529	3.4
99.04463	15.6
99.08108	2.2
103.03946	1.9
105.01869	82.3
107.08594	4.0
109.02888	25.6
109.06564	2.1
109.10154	2.3
111.08097	8.9
113.09660	4.8
117.01897	2.3
123.08080	1.9
126.05589	2.2
127.03924	71.9
129.01845	4.6
129.94928	1.8
133.06718	1.7
135.08034	1.8
137.09647	3.1
137.13240	1.6
145.04958	48.5
147.02892	3.7
147.04405	2.6
147.08054	4.6
149.09608	3.0
153.09103	7.0
155.10712	4.9
155.14310	3.1
159.02902	15.5
162.05515	30.4
162.06786	2.7
165.09189	2.5
173.11755	2.8
177.09097	5.6
189.04002	4.7
190.04985	2.7
191.14349	1.6
191.16382	2.9
195.10104	12.1
202.51544	2.2
231.05000	26.7
238.75113	1.6
248.07635	3.0
249.06142	10.7
281.10278	2.5
299.11224	3.3
308.09158	5.4
308.14893	2.1
334.16644	4.1
352.08279	7.2
352.13113	1.6
352.17432	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	351.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.05515	23.0
56.45787	3.2
57.03441	3.4
57.07076	3.7
67.05514	34.7
69.03436	5.1
69.07069	57.0
69.58163	19.3
71.04990	7.9
79.05506	33.2
81.07069	51.2
83.04953	3.8
83.08620	15.8
87.37797	3.9
90.09395	3.3
91.05495	39.0
93.07047	70.7
93.07622	3.8
95.04977	21.1
95.07987	3.6
95.08614	61.5
97.06533	15.6
97.10203	6.7
105.07033	88.1
107.04997	5.1
107.08599	51.0
109.06504	6.4
109.10163	60.1
117.07033	17.1
119.08592	100.0
121.06484	8.5
121.10155	46.2
123.08043	5.0
123.11718	16.4
128.06232	10.3
129.07008	11.2
130.07817	5.1
131.08582	39.3
133.10139	51.7
135.08047	11.1
135.11668	13.2
137.09656	4.5
137.13242	7.4
139.55559	3.9
142.07776	15.3
143.08549	28.0
145.10136	52.5
146.07286	9.6
147.08023	8.4
147.11703	26.3
148.00996	3.9
149.09625	16.7
149.13269	5.1
151.09695	4.5
155.08556	6.4
156.09323	10.7
157.10141	39.4
159.08086	5.3
159.11690	27.9
161.09618	40.0
161.13292	19.7
163.11197	3.9
169.10118	8.7
171.11708	28.4
173.09636	4.6
173.13283	16.8
175.11249	9.6
175.14835	15.5
177.16423	26.3
183.11702	12.1
185.13191	19.7
187.14828	6.7
189.12820	3.8
189.16373	8.8
194.10945	5.2
195.11720	4.2
197.13235	9.8
199.14835	12.1
201.16415	9.7
203.17946	7.3
209.13289	15.0
211.14734	6.2
213.12846	4.9
215.17834	5.4
227.14400	4.9
239.84436	3.7
241.19556	7.3
255.21165	5.0
267.20712	4.5
268.21838	3.9
333.25803	5.9
351.26807	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.9
59.05001	7.4
59.36509	1.8
65.01460	2.0
67.05501	9.3
69.07066	45.4
69.52463	1.6
71.08627	2.8
71.53672	2.5
72.74399	1.9
73.06557	7.8
74.18544	1.5
77.07159	1.7
79.05493	6.4
80.05018	3.1
80.33305	1.7
81.04549	2.2
81.07059	11.5
83.08663	2.4
84.08113	2.1
86.09701	7.8
87.08112	4.3
91.05470	9.2
93.07036	9.0
95.08599	15.4
96.06861	2.8
96.08132	6.7
97.06528	4.1
98.09639	2.8
104.04942	3.5
105.07032	10.8
107.08588	9.7
108.08128	6.7
109.10178	10.7
110.09695	1.8
117.07033	3.3
119.08583	10.7
121.07692	1.8
121.10173	8.4
122.09657	2.7
123.09194	19.1
125.10770	4.9
129.09114	2.0
130.12282	6.4
131.08583	4.2
132.08098	2.8
133.10147	20.5
135.11710	3.4
138.12729	1.6
143.08566	4.7
145.10155	5.8
146.09665	2.1
149.13191	1.9
150.12761	9.7
151.13622	3.7
151.14848	6.9
152.14355	6.3
155.11790	24.1
157.10129	4.3
159.11693	4.0
161.13318	10.6
164.14433	1.8
173.13249	3.9
176.14323	3.2
177.15099	2.4
183.11331	15.9
187.14841	2.5
188.14392	3.7
193.10045	2.3
195.11664	1.7
199.14725	2.0
205.17020	5.2
208.13333	3.4
209.13275	2.3
218.56448	1.9
220.20517	2.4
235.14572	3.0
273.23282	7.3
280.22699	58.9
291.24301	24.2
306.24265	14.9
324.25317	58.0
333.25342	54.3
347.42151	1.9
351.23199	5.5
351.26477	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01868	4.1
55.05276	1.8
55.05516	21.1
56.28973	1.2
57.03441	16.6
57.07065	4.0
65.03931	2.6
66.96912	1.3
67.05508	52.8
68.93712	1.6
69.07069	22.5
69.42559	11.1
71.04987	3.6
71.08639	54.4
72.26344	1.3
79.05500	49.4
81.03425	7.2
81.06594	3.2
81.07060	54.9
83.04987	10.2
83.08626	12.4
85.06525	4.5
88.55331	1.4
91.05487	38.0
93.07051	62.8
95.04967	12.1
95.08612	39.0
97.06534	11.4
97.10188	3.3
98.21490	2.5
99.07492	2.9
99.08097	37.6
105.07034	24.7
107.04942	8.9
107.08601	39.6
109.06519	5.7
109.10159	16.8
111.08113	2.2
113.09648	2.8
117.07028	6.3
119.08585	25.1
121.06499	1.8
121.10143	31.7
123.08044	3.2
123.11695	5.1
125.09624	2.4
127.11215	1.5
129.06961	3.5
131.08574	8.5
133.10146	19.2
135.08037	1.7
135.11699	39.6
137.09612	5.0
139.11128	2.2
141.09084	3.8
143.08569	4.2
145.10138	7.5
147.11719	9.3
149.09546	1.5
149.13258	13.0
151.11188	18.6
153.12720	1.9
157.10153	2.4
159.11696	7.0
161.13275	14.3
163.11209	8.2
163.14854	2.0
165.12802	1.7
167.10670	2.8
171.11769	2.1
173.13329	3.2
175.14781	3.9
177.12788	4.6
179.14319	100.0
185.13228	1.7
189.11279	1.6
189.12796	2.9
195.13792	2.6
199.14854	2.1
221.15434	4.4
235.16968	4.6
241.19568	5.4
253.91612	1.4
259.20596	15.8
277.21640	54.4
304.29593	1.9
333.24292	2.5
339.24646	1.6
351.25320	74.2
352.25638	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
55.01858	3.9
55.05510	26.2
57.03443	32.8
65.03954	3.1
67.05511	58.6
67.16655	3.2
69.07068	17.9
71.05051	7.5
72.08160	4.5
79.05495	54.2
81.03398	3.6
81.07062	69.8
83.04987	4.1
83.08621	21.5
85.06531	7.1
91.05482	40.9
93.06478	6.1
93.07043	72.2
95.08617	57.1
97.06533	6.5
97.10151	4.1
101.53041	2.9
105.07044	43.5
107.08599	53.7
109.10154	20.2
111.08080	5.7
117.07023	14.3
119.08585	40.3
121.10137	40.3
123.11710	7.0
129.07011	7.5
131.08583	15.9
133.10146	36.8
135.08099	3.4
135.11696	35.1
139.11234	4.8
143.08583	12.3
145.10133	17.1
147.11665	40.8
149.13264	25.6
157.10136	5.9
159.11659	16.9
161.09622	3.1
161.13213	18.0
163.14885	8.6
165.12787	5.8
166.09605	3.5
171.11719	9.8
173.13249	10.5
175.14819	11.8
177.12834	3.8
185.13275	8.6
187.14828	10.2
194.11757	5.1
199.14857	5.1
221.18912	3.7
231.21092	5.5
241.19540	28.8
250.17932	4.6
259.20578	56.7
277.21600	21.9
297.33783	3.4
306.24417	5.2
333.24283	12.1
351.25238	100.0
361.60910	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.05314	1.5
55.05519	16.1
57.03426	5.9
57.07069	4.9
61.02916	1.8
65.03928	2.5
67.05510	44.3
69.07065	13.5
70.10750	3.5
70.11138	2.5
71.04992	2.6
71.08642	2.7
75.04484	1.6
79.05501	57.9
81.07061	44.4
83.04984	2.4
83.08605	5.8
85.02895	2.0
85.06547	3.2
91.05486	50.1
91.59503	1.3
93.07050	76.2
95.04979	4.5
95.08611	33.7
97.06535	3.7
97.10175	2.0
99.08099	4.6
105.07030	55.0
107.08601	38.5
109.06525	3.4
109.10156	10.8
111.08083	2.9
113.74535	1.5
117.07018	15.1
119.08584	57.8
121.10149	33.9
123.08057	1.8
123.11686	2.1
125.09648	2.2
129.07018	7.2
131.08578	17.3
133.10136	44.8
135.08157	2.1
135.11702	37.7
137.09738	1.6
142.07846	1.6
143.08574	10.6
145.10141	19.4
147.11693	42.4
149.09590	3.3
149.13264	18.1
151.11255	2.6
157.10179	8.3
159.11713	18.8
161.13274	37.1
163.11255	3.1
163.14838	5.4
164.84460	1.7
165.12823	1.9
171.11662	12.5
173.13281	10.4
175.11189	2.1
175.14827	13.3
177.12784	3.3
185.13293	12.4
187.14972	2.6
189.12755	2.2
199.14862	8.1
203.14381	1.7
213.16451	4.8
215.18053	2.3
217.15858	1.9
231.17424	2.0
231.21106	11.1
241.19547	32.6
259.20590	100.0
260.20956	2.4
269.17496	3.0
270.17892	1.8
277.21738	5.7
287.07965	3.3
288.08496	1.8
289.07370	3.9
289.21634	1.8
333.24091	2.1
351.25336	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.5
53.31314	1.3
55.01865	1.6
55.05519	16.1
57.03447	7.4
57.07061	2.1
65.03959	2.2
67.05511	41.6
69.07072	14.7
71.04995	2.8
71.08636	1.5
75.04474	1.4
77.03921	2.0
79.05496	67.1
81.07059	54.6
83.04979	2.6
83.08631	7.7
84.62892	1.5
85.06548	3.7
91.05485	43.3
93.07048	88.4
95.04960	4.3
95.08613	39.4
96.29219	1.9
97.06535	2.9
97.10175	2.5
98.21531	3.6
99.08101	3.6
105.04484	1.8
105.07037	51.4
107.08597	53.0
109.10167	16.2
111.08083	1.9
113.09718	2.3
117.07035	12.6
119.08588	47.6
121.10145	38.1
123.11689	3.8
128.06238	1.7
129.07002	8.7
130.93053	1.4
131.08575	18.5
133.10136	44.4
135.08092	3.1
135.11688	41.9
137.13289	1.7
143.08548	9.4
145.10130	19.7
147.11693	47.9
149.09644	3.7
149.13263	27.3
151.11195	1.5
157.10152	10.0
159.11716	18.2
161.13268	32.9
163.11218	2.6
163.14836	7.5
165.12727	1.8
171.11714	12.5
173.13264	8.5
175.11198	2.0
175.14807	14.1
177.12749	3.7
179.14339	1.9
185.13312	12.3
187.14873	2.7
189.12654	2.2
199.14845	9.9
201.16368	2.6
203.14299	1.5
213.16415	3.0
215.17856	1.9
217.19431	2.3
221.15419	2.0
231.17503	2.6
231.21088	8.8
241.19525	36.0
259.20584	100.0
261.22076	2.0
277.21637	14.9
321.85791	1.7
333.24362	10.9
351.25333	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31699	1.1
53.03941	3.5
55.01876	2.7
55.05512	14.2
57.03428	4.8
57.07063	3.4
65.03941	1.6
67.05508	36.6
69.06791	1.0
69.07076	12.0
69.99716	5.8
71.04991	2.5
71.08631	1.3
75.04467	1.5
75.37148	1.2
77.03896	1.4
79.05496	43.5
80.99439	1.1
81.07060	41.9
83.04977	1.8
83.08619	5.8
85.06555	3.2
91.05490	50.6
93.07049	69.6
95.04955	3.7
95.08613	30.0
97.06533	3.7
97.10167	3.1
99.08114	5.4
105.07038	57.9
107.07877	2.1
107.08602	40.1
109.06516	2.1
109.10147	11.0
113.09657	1.4
115.05468	1.4
117.07034	12.8
119.08583	52.1
121.10147	31.6
123.08066	2.8
123.11691	3.1
125.09585	1.2
128.06245	1.7
129.06999	9.6
130.07849	1.6
131.08565	20.7
133.10143	43.8
135.08058	1.5
135.11700	32.2
137.09554	2.1
137.13344	1.4
137.86737	1.2
142.07761	1.7
143.08586	10.7
145.10133	19.0
147.11700	43.0
149.09645	2.7
149.13268	17.4
151.11198	2.0
157.10133	10.8
159.11691	16.6
161.13264	37.1
163.11218	3.1
163.14830	6.8
171.11732	14.9
173.13242	11.1
175.14839	19.5
177.12772	3.5
179.14400	1.3
185.13271	12.3
187.14890	3.8
189.12788	2.8
189.16389	1.4
199.14833	10.4
201.16371	1.5
203.14421	1.3
213.16383	2.9
215.18105	2.1
217.16025	1.6
217.19542	3.1
231.17552	2.7
231.21112	9.0
241.19507	33.8
259.20590	100.0
277.21640	4.8
297.10876	1.3
333.24304	3.9
344.95334	1.2
351.25327	77.7
373.35886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
55.05514	17.7
57.03429	8.1
57.07061	4.4
57.79333	1.5
58.96989	1.5
65.03938	1.7
67.05507	45.2
69.07074	13.2
69.84123	7.2
71.04993	2.8
71.08608	2.1
75.04453	1.5
79.05495	62.8
81.06590	2.6
81.07057	52.5
83.04977	2.1
83.08613	5.9
85.06543	5.2
91.05485	57.5
93.07046	76.8
95.04954	4.2
95.08611	38.2
97.06527	3.3
97.10179	3.1
99.08076	5.0
104.52585	1.7
105.07030	50.3
107.08596	49.5
109.06500	4.0
109.10170	12.7
117.07030	11.9
119.08586	50.9
121.06489	2.4
121.10139	40.4
123.11687	4.0
126.36821	1.4
129.07011	10.6
131.08574	18.4
133.10133	43.9
134.10579	1.5
135.08083	2.1
135.11707	37.4
137.09605	2.2
143.08589	8.7
145.10136	20.5
147.11690	47.8
149.09711	2.2
149.13257	23.3
151.11107	3.0
157.10124	7.3
159.11705	15.2
161.09663	1.8
161.13254	37.0
163.11183	3.2
163.14796	8.6
171.11678	13.2
173.13229	10.0
174.03867	1.5
175.14830	22.3
177.12752	3.0
179.14345	3.5
184.05515	1.4
185.13255	12.5
187.14789	4.2
189.12755	3.8
199.14818	8.5
201.16347	1.8
203.14243	2.2
213.16359	3.8
217.15950	1.8
217.19539	5.7
231.17448	2.9
231.21054	7.3
235.16843	1.9
241.19513	37.4
259.20587	100.0
277.21680	13.9
297.78625	1.4
333.24365	7.1
351.25305	88.4
353.97128	1.7
361.56262	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.01865	1.3
55.05511	14.0
57.03433	4.4
57.07059	3.7
67.05507	39.4
69.07067	13.4
70.58623	2.4
70.58992	2.6
71.04988	2.7
71.08611	1.2
77.03916	2.5
77.51913	1.1
79.05492	48.7
81.06587	2.5
81.07059	47.2
83.08629	5.4
85.06528	2.6
91.05481	56.2
93.07046	70.1
95.04974	6.3
95.08002	1.4
95.08607	30.3
97.06540	3.8
97.10181	2.9
99.08073	4.0
105.07031	58.6
107.08592	36.0
109.06483	2.1
109.10162	12.5
111.08092	1.9
113.09679	1.3
113.85049	1.5
117.07029	10.9
119.08583	52.9
121.06552	1.5
121.10146	29.6
123.11744	1.8
128.06322	1.9
129.07007	8.5
130.07738	1.9
131.08568	18.5
133.10129	48.1
135.08083	2.2
135.11690	28.7
137.09677	1.9
143.08559	9.7
145.10136	21.4
145.11180	2.3
147.11690	43.0
149.09628	2.8
149.13261	19.7
157.10118	8.1
159.11688	17.1
161.09659	1.7
161.13252	35.2
163.11232	3.1
163.14818	6.6
171.11690	14.4
173.13292	10.6
175.11172	3.1
175.14847	20.1
177.12756	3.8
177.16364	1.4
177.35863	1.4
185.13197	15.4
187.14801	2.6
189.12791	3.0
199.14841	9.0
201.16519	1.6
203.14339	2.9
213.16338	2.2
215.18068	2.6
217.19571	5.4
231.17560	1.9
231.21085	8.9
241.19511	30.6
259.20575	100.0
277.21613	2.8
333.24323	3.7
351.25348	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
54.27164	1.3
55.01867	2.5
55.05308	1.5
55.05513	14.2
56.81320	1.4
57.03436	10.2
57.07079	2.9
57.12187	1.4
62.36269	1.2
65.03947	1.3
65.84969	1.2
66.84345	1.4
67.05508	45.3
69.07069	14.5
71.04982	3.7
71.08635	1.5
74.09605	1.5
75.04501	1.8
76.20965	1.2
79.05496	66.5
81.07063	51.1
83.08610	8.5
85.06530	6.7
91.04900	2.5
91.05482	50.9
92.96002	1.2
93.07049	85.6
95.04966	4.2
95.08613	36.1
97.06505	4.0
97.10162	4.0
99.08103	4.5
105.04527	1.7
105.07035	59.6
107.08598	52.8
109.06503	2.0
109.10155	15.1
109.17873	1.4
117.07009	9.9
119.08597	52.5
121.10148	38.9
123.08034	2.4
123.11691	3.2
129.05495	1.8
129.06990	7.8
131.08556	18.6
133.10141	43.2
135.08080	2.6
135.11690	44.6
137.09596	2.0
137.13235	1.6
143.08586	9.9
145.10126	21.7
147.08115	2.0
147.10509	2.5
147.11687	47.8
149.09644	3.1
149.13248	24.2
157.10155	8.3
159.11684	20.3
161.09697	2.2
161.13254	39.8
163.11241	2.6
163.14850	9.7
165.12601	1.4
171.11710	15.9
173.13271	13.3
175.11208	3.8
175.14841	20.7
177.12776	4.3
185.13249	15.6
187.14857	2.8
189.12700	3.1
191.14380	2.6
193.12245	2.1
195.13925	1.5
199.14801	7.8
203.14259	1.7
213.16451	3.9
215.17987	3.4
217.15862	2.2
217.19548	6.6
231.17447	4.2
231.21069	9.9
241.19508	37.5
247.13341	2.4
259.20590	100.0
277.21619	13.5
333.24203	10.2
351.25308	87.2
352.25629	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59291	0.8
51.02370	1.1
53.03948	4.4
55.01859	2.6
55.05511	19.1
57.03442	8.9
57.07089	5.0
65.03932	3.2
67.05508	51.2
69.03426	1.4
69.06722	1.5
69.07070	17.7
69.31541	1.3
69.31944	6.0
71.04990	2.5
74.63337	0.7
75.04474	1.8
79.05495	75.0
81.03416	1.5
81.07060	54.3
83.04987	2.4
83.08624	9.9
84.08830	0.9
85.02910	1.5
85.06554	6.2
91.04626	1.1
91.04898	2.0
91.05482	56.6
93.07046	100.0
95.04974	4.6
95.08610	39.5
97.06507	4.4
97.10149	3.6
99.08125	4.4
105.04535	1.6
105.07035	66.1
107.04977	1.1
107.08600	59.8
108.08917	0.9
109.06538	2.1
109.10160	16.1
111.08084	2.5
113.09642	2.4
115.05466	1.5
117.07024	15.8
119.08588	58.0
121.06489	1.5
121.10151	45.6
123.08043	2.3
123.11720	5.6
125.09636	2.0
128.06184	0.9
129.05501	2.0
129.06998	10.5
130.07846	1.3
131.08578	21.9
133.10135	49.9
135.08067	2.2
135.11700	42.6
137.06013	1.1
137.09621	2.6
137.83682	0.8
142.07846	1.2
143.08595	10.5
145.10133	23.9
147.08092	1.4
147.11693	51.1
149.09616	3.6
149.13269	30.6
150.89731	0.9
151.11195	2.3
156.09372	1.0
157.10132	11.6
159.11702	21.4
159.13034	1.0
161.09558	1.3
161.13266	40.8
163.11177	4.3
163.14842	10.0
165.12808	1.0
171.11703	14.8
173.13268	13.7
175.11194	3.0
175.14827	24.0
177.12695	4.4
177.16397	1.3
181.12181	1.1
185.11815	1.7
185.13277	15.0
187.14854	3.0
189.00562	1.3
189.12749	2.7
191.14284	1.1
198.70085	0.8
199.14812	7.9
201.16405	1.1
203.14276	3.1
207.13828	1.0
213.16423	5.2
215.18074	2.1
217.15915	1.7
217.19521	7.3
221.15326	1.7
231.17432	2.5
231.21071	11.1
241.19521	38.3
247.13322	3.5
257.58170	1.0
259.20584	98.0
260.20963	2.4
277.21680	15.4
284.06540	1.2
291.12225	1.2
315.22964	1.2
333.24283	12.4
351.25323	93.4
352.25742	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52305	0.5
53.62774	0.5
56.96297	0.9
56.96566	12.8
57.02611	0.4
57.32671	0.4
68.99763	0.5
69.37055	0.8
69.37466	2.8
71.95257	0.8
84.96053	2.9
85.02909	0.8
91.05489	0.8
98.97590	100.0
110.97582	11.0
112.99154	2.1
116.98630	19.8
116.99462	1.0
119.04919	0.6
123.05467	0.4
124.99141	3.7
127.00719	1.3
127.03995	0.6
128.98605	6.5
129.02281	0.7
131.00223	1.0
131.01973	0.6
134.99667	1.7
139.03937	0.9
140.00204	0.7
140.98605	1.5
143.00186	4.1
143.35910	0.5
144.98071	0.9
145.01749	1.4
146.99651	1.7
147.03270	2.2
147.04428	2.7
148.04701	0.5
152.98651	2.4
158.99667	35.7
161.01224	2.6
163.03979	0.7
165.04362	1.3
169.01762	0.5
169.03459	0.6
170.99678	4.5
171.03285	5.5
174.99110	1.0
175.02701	0.5
177.00731	17.8
177.38240	0.5
185.01248	0.9
189.00798	4.2
189.02286	0.6
189.02838	0.7
189.04349	6.2
195.01735	0.6
196.16039	0.5
201.00613	2.8
201.04359	0.7
203.02135	0.7
205.00085	0.5
207.01736	1.4
207.05403	0.8
219.01782	17.0
231.01677	1.6
231.05392	1.5
237.02831	14.5
240.46735	0.5
249.02806	1.4
255.03899	0.6
261.02811	1.1
267.03830	0.8
269.05490	0.7
273.02936	0.5
291.03906	3.7
291.07446	24.8
309.05096	2.8
309.08548	49.7
332.10010	1.1
333.04883	0.6
351.09680	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82776	0.5
56.96566	15.4
65.37847	0.5
68.62837	0.6
69.03446	0.8
70.52666	1.0
70.53033	1.1
70.98108	0.8
71.95235	0.7
84.96035	3.0
84.96473	0.6
85.02926	1.6
91.05472	0.9
94.83665	0.6
98.97588	100.0
101.00900	0.9
110.97576	11.4
112.99140	2.8
116.98626	19.4
117.61864	0.6
119.04923	1.0
119.21729	0.5
123.05588	0.6
124.99107	2.3
126.97083	0.9
127.00710	1.4
127.03883	0.6
128.98604	8.0
129.02254	1.2
130.35434	0.5
131.00221	1.6
134.99640	3.3
139.03937	0.8
140.00250	0.6
140.98621	1.8
143.00189	4.3
144.98093	0.8
145.01788	1.1
145.03497	0.7
146.99628	2.7
147.03305	2.2
147.04431	4.0
148.04790	0.6
152.98582	2.8
156.98083	0.8
158.99666	36.7
161.01219	1.9
163.03995	0.9
170.99669	6.2
171.03273	5.0
174.99216	2.6
177.00729	17.2
185.01237	0.8
189.00754	4.4
189.02594	0.7
189.04355	6.7
201.00775	3.3
207.01768	1.7
207.05426	1.0
213.00708	1.1
219.01770	18.9
231.01741	1.7
231.03633	0.7
231.05466	1.4
235.01210	0.6
237.02832	12.5
249.02884	1.9
251.04364	0.7
254.06990	0.7
255.03947	1.1
263.00888	0.7
267.03815	0.6
269.05444	1.6
289.07724	1.0
291.03964	4.0
291.07449	23.3
309.05002	3.9
309.08545	45.9
332.10223	1.3
351.06073	2.2
351.09683	30.0
369.07022	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42261	1.4
54.97533	1.3
56.96569	49.9
57.97300	1.6
58.12060	1.3
70.17870	5.9
71.95273	1.3
82.99842	1.5
84.96027	5.1
85.01410	2.2
97.07180	1.3
98.20795	1.3
98.97588	52.6
101.00893	11.8
103.02477	4.1
105.00213	2.1
110.97609	2.3
112.99165	3.9
113.00894	5.3
115.02446	3.8
116.98627	15.8
119.01937	5.1
124.99122	47.5
127.00729	2.9
127.02421	9.9
128.98587	2.4
129.00345	3.0
131.00232	2.2
131.01909	4.4
133.03465	18.5
134.99687	2.7
137.05927	1.2
137.42027	1.2
139.00711	2.2
139.02380	1.8
141.02251	4.2
143.00186	54.5
143.01857	11.9
144.98129	1.8
145.03473	16.3
147.01401	6.2
151.00688	3.5
151.04564	2.8
152.98613	18.0
155.01933	13.3
156.98160	2.1
157.01672	1.5
157.02164	1.7
157.03458	18.4
159.03291	2.4
161.01233	11.1
161.02942	7.7
163.04555	1.5
166.24599	1.3
167.00201	6.2
168.98164	1.8
169.01762	9.5
169.03325	2.5
170.99680	34.5
171.01131	1.3
173.01552	2.2
173.02960	15.0
175.04550	15.0
185.01253	26.0
185.02985	18.6
186.99162	5.5
187.02806	3.5
187.04546	11.4
189.00723	19.1
189.02487	4.6
194.99710	5.1
198.96017	2.0
201.00792	1.8
203.00197	2.5
203.02277	14.3
203.04053	33.1
205.00339	3.3
207.01686	2.4
213.00702	19.4
215.04079	8.8
216.99318	1.5
221.03244	2.0
221.05135	5.0
226.50159	1.6
228.96983	1.8
229.00215	2.0
231.01756	27.6
231.03824	2.2
240.49934	1.3
245.02960	2.3
245.05142	26.5
249.02841	27.0
260.01343	3.0
260.51340	2.3
261.00485	1.9
261.57074	1.6
263.06192	32.6
267.03922	13.8
273.02899	6.3
279.05530	2.6
285.04913	2.6
291.03668	100.0
292.04324	1.5
309.04697	94.6
327.05872	3.5
330.01813	2.2
330.52213	1.5
332.06555	2.3
351.07758	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42261	1.4
54.97533	1.3
56.96569	49.9
57.97300	1.6
58.12060	1.3
70.17870	5.9
71.95273	1.3
82.99842	1.5
84.96027	5.1
85.01410	2.2
97.07180	1.3
98.20795	1.3
98.97588	52.6
101.00893	11.8
103.02477	4.1
105.00213	2.1
110.97609	2.3
112.99165	3.9
113.00894	5.3
115.02446	3.8
116.98627	15.8
119.01937	5.1
124.99122	47.5
127.00729	2.9
127.02421	9.9
128.98587	2.4
129.00345	3.0
131.00232	2.2
131.01909	4.4
133.03465	18.5
134.99687	2.7
137.05927	1.2
137.42027	1.2
139.00711	2.2
139.02380	1.8
141.02251	4.2
143.00186	54.5
143.01857	11.9
144.98129	1.8
145.03473	16.3
147.01401	6.2
151.00688	3.5
151.04564	2.8
152.98613	18.0
155.01933	13.3
156.98160	2.1
157.01672	1.5
157.02164	1.7
157.03458	18.4
159.03291	2.4
161.01233	11.1
161.02942	7.7
163.04555	1.5
166.24599	1.3
167.00201	6.2
168.98164	1.8
169.01762	9.5
169.03325	2.5
170.99680	34.5
171.01131	1.3
173.01552	2.2
173.02960	15.0
175.04550	15.0
185.01253	26.0
185.02985	18.6
186.99162	5.5
187.02806	3.5
187.04546	11.4
189.00723	19.1
189.02487	4.6
194.99710	5.1
198.96017	2.0
201.00792	1.8
203.00197	2.5
203.02277	14.3
203.04053	33.1
205.00339	3.3
207.01686	2.4
213.00702	19.4
215.04079	8.8
216.99318	1.5
221.03244	2.0
221.05135	5.0
226.50159	1.6
228.96983	1.8
229.00215	2.0
231.01756	27.6
231.03824	2.2
240.49934	1.3
245.02960	2.3
245.05142	26.5
249.02841	27.0
260.01343	3.0
260.51340	2.3
261.00485	1.9
261.57074	1.6
263.06192	32.6
267.03922	13.8
273.02899	6.3
279.05530	2.6
285.04913	2.6
291.03668	100.0
292.04324	1.5
309.04697	94.6
327.05872	3.5
330.01813	2.2
330.52213	1.5
332.06555	2.3
351.07758	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04702	1.7
56.96302	4.0
56.96569	54.3
71.51699	2.5
71.52103	3.6
71.95266	2.5
78.60262	1.7
82.99862	2.7
83.72990	1.5
84.96035	5.1
85.01421	2.0
98.97591	60.1
100.46209	1.6
101.00895	13.8
103.02458	5.1
110.97578	2.3
112.99161	3.5
113.00922	4.7
115.02450	5.0
116.98637	18.1
119.01955	10.3
123.01187	2.0
124.99126	57.9
127.02432	14.4
129.00363	5.5
131.00240	2.1
131.01907	7.8
133.03468	25.7
134.99669	3.4
140.98709	2.0
141.02245	6.2
143.00172	54.1
143.01866	15.7
145.03462	23.5
147.01392	6.1
151.00735	2.5
151.04507	2.6
152.98619	18.1
155.01918	16.3
157.03487	20.3
159.03290	2.1
161.01234	11.8
161.02945	12.6
167.00214	7.1
168.98259	2.8
169.01756	6.1
169.03358	2.1
170.99669	35.1
173.02968	18.4
175.04530	18.7
185.01248	27.7
185.02979	20.5
186.99147	5.3
187.02769	5.9
187.04546	16.5
189.00804	18.5
189.02518	4.5
194.99698	5.3
202.96861	2.1
203.02280	12.5
203.04047	41.7
205.00192	4.3
211.02832	1.9
213.00742	18.9
215.03967	10.9
217.05800	2.2
221.05063	4.4
229.00244	1.9
231.01776	23.2
231.09335	1.8
237.01056	2.5
245.02979	2.5
245.05170	38.0
249.02812	30.2
249.05193	2.7
251.99638	3.4
252.02246	3.7
260.01465	2.6
260.51331	2.3
263.06207	34.0
263.99945	2.6
266.99902	1.8
267.01147	2.0
267.03857	13.9
273.00113	3.0
273.02878	5.9
276.00693	2.1
279.05786	2.6
285.04993	4.9
291.03647	100.0
296.00940	2.2
298.96036	2.1
309.04660	91.9
339.02216	2.5
351.07733	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	350.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.5
57.07059	2.4
59.04994	3.8
59.69766	1.9
67.05498	5.0
67.61906	2.1
69.03432	4.7
69.07069	21.8
69.58007	4.2
69.58414	9.6
70.59556	2.0
71.04993	15.6
73.06601	2.3
79.05508	4.6
81.07061	18.8
83.04987	2.1
83.08615	6.3
85.02921	17.5
91.05499	5.4
92.15282	1.9
93.07056	24.0
93.60428	2.1
95.08617	12.6
97.02888	5.2
97.06541	13.1
98.20724	2.7
100.11267	2.6
102.43405	2.2
102.55753	1.9
103.55741	2.4
105.07040	3.9
105.54538	2.4
107.08595	27.0
109.10165	12.4
111.04424	2.7
119.08607	4.3
125.13301	6.2
127.03912	3.3
130.06522	2.9
132.81178	2.0
135.11697	42.9
136.73074	2.5
145.04948	4.0
151.54378	2.4
153.12762	100.0
171.13815	11.5
307.53705	2.3
315.17920	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	350.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.8
55.05513	2.2
55.85744	1.5
57.07065	2.0
59.89623	1.7
61.02921	1.6
67.05518	2.0
68.65971	1.6
69.03421	4.2
69.07069	9.7
70.90931	2.0
70.91251	1.9
73.02934	2.0
79.05499	5.6
81.03396	2.4
81.07054	5.9
83.08605	3.5
85.02917	13.5
91.05496	2.1
93.07038	25.8
95.08611	16.9
97.02908	3.6
97.06536	32.5
97.17267	1.5
107.08592	33.6
109.02850	2.1
109.10173	11.5
111.08067	1.9
127.03936	3.7
135.11693	61.1
135.12724	3.3
144.99905	1.4
145.04970	2.9
153.12753	100.0
171.13803	77.9
188.44308	1.9
195.81822	1.6
296.00699	1.6
350.07278	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	350.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
53.31462	1.5
55.01883	1.9
55.05511	12.3
56.05870	1.8
56.22375	1.5
59.05009	1.8
61.02921	2.5
67.05489	7.5
69.03430	3.9
69.07082	8.3
71.04982	3.4
71.39027	2.1
75.34457	1.5
79.05499	15.7
81.03430	2.3
81.07075	12.6
82.06576	2.9
83.04984	1.9
83.08637	3.8
85.02905	15.5
91.05492	13.8
93.07048	83.1
95.04990	2.9
95.08612	27.1
97.02880	3.9
97.06533	19.6
100.11263	19.7
101.11561	2.3
102.20187	1.8
105.07027	4.7
107.08603	100.0
109.10145	7.4
111.04406	2.6
111.83003	1.7
118.96851	1.7
119.08553	1.7
127.03896	2.6
135.11699	75.6
137.13322	1.8
145.04971	4.9
153.12767	36.3
171.13823	9.0
182.15419	5.0
183.15704	3.2
209.16443	3.2
210.14859	4.0
211.15245	3.6
227.17384	2.4
227.67844	2.7
277.22946	12.9
340.76056	4.6
341.26251	2.3
343.30823	3.0
344.31091	3.6
345.39825	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11784	1.1
50.89970	1.1
51.18110	1.2
55.05516	8.4
57.03457	1.9
57.07064	1.4
59.04987	2.4
67.05511	6.6
69.03442	1.8
69.07071	3.0
70.82368	1.4
71.05003	7.6
71.07656	2.2
74.37121	1.3
79.05501	6.1
81.03443	1.7
81.07071	22.1
83.04996	2.8
83.08633	12.4
85.02906	17.9
91.05474	4.2
93.07056	39.4
95.08617	23.8
97.02882	4.5
97.06548	19.3
101.09669	4.5
105.07013	1.5
107.08610	54.5
109.10168	35.3
119.08669	1.3
123.11734	14.9
127.03861	1.9
127.11220	2.0
135.11710	100.0
141.12773	4.6
145.04977	2.6
153.12770	48.2
171.13834	56.1
182.08585	1.7
294.72565	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98811	1.9
55.05504	1.7
56.91602	1.5
57.15489	1.6
66.86737	1.7
69.07059	3.5
69.84310	8.7
71.04999	13.1
73.06553	4.4
77.31097	1.6
79.05489	2.6
81.07059	18.4
85.02885	2.6
90.45777	1.7
93.07061	9.4
95.08631	2.0
96.36915	1.6
98.20831	2.2
107.08569	6.4
107.49936	1.7
109.36402	1.6
135.11713	19.6
153.12747	100.0
165.53265	1.6
168.46120	1.6
186.04831	1.6
202.23706	1.8
284.65234	1.7
310.25412	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
54.16868	0.7
55.01861	1.4
56.96576	3.6
57.98502	0.7
61.02927	2.2
65.03938	5.1
68.99808	1.9
69.03423	4.1
70.06571	2.2
70.87086	1.7
81.03407	1.8
82.38092	0.8
83.04977	3.6
85.02908	13.2
89.03902	3.1
91.05479	1.8
93.03395	4.0
97.02898	4.5
97.03449	0.8
98.97566	1.6
107.04945	0.9
109.02874	1.5
111.03719	1.4
111.04452	24.5
117.03358	2.2
119.04948	1.0
121.02872	0.8
121.04004	2.5
127.03900	2.4
131.00208	0.7
132.95865	2.0
135.04436	3.4
138.77762	0.7
139.03908	77.6
140.04225	1.4
143.00154	1.0
145.02840	2.2
145.04959	2.9
147.04419	3.5
150.96887	0.9
156.04228	1.8
163.03905	13.2
171.06531	100.0
180.08646	1.3
197.01189	0.9
237.00720	1.9
242.91881	0.9
255.01779	1.5
261.10596	0.9
350.08636	1.3
363.03577	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1348
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
53.03946	0.9
55.01881	1.2
55.05503	0.5
57.03444	2.5
57.07055	0.2
59.04987	0.6
60.04514	1.0
61.02703	0.2
61.02931	2.2
62.52831	0.2
63.20329	0.2
67.05521	0.5
69.03434	8.6
69.07059	0.9
69.45432	0.6
69.45859	1.0
71.01349	0.8
71.04999	3.5
73.02924	1.1
79.05480	0.7
81.03407	1.4
81.07062	1.5
83.08608	0.4
85.02897	1.6
87.04436	0.3
91.05486	0.8
93.07051	3.1
95.08619	1.7
97.02891	0.6
97.06549	3.7
99.04465	2.3
107.08617	2.8
109.10132	0.9
111.08110	0.3
117.05513	0.8
118.06558	2.3
118.42519	0.2
120.08138	0.4
120.36002	0.2
127.03862	0.3
129.93503	0.2
131.06053	0.3
132.06841	0.5
132.08102	0.8
135.11700	5.4
136.61577	0.2
140.48624	0.2
145.07623	13.2
146.08427	0.5
147.09183	21.8
153.12762	5.9
157.07631	0.8
159.09186	9.1
160.09967	1.1
161.10728	0.8
169.12276	0.4
171.09097	0.4
171.13858	2.5
173.07088	2.8
173.10735	1.0
175.08633	1.4
184.09972	0.8
185.10757	3.2
186.11604	0.4
187.08597	1.3
187.12347	0.8
189.10248	1.1
191.08171	100.0
192.08546	1.2
197.10745	1.7
199.08696	1.1
199.10551	0.2
199.12329	1.0
201.10304	0.6
203.11813	0.3
213.10194	1.5
215.11777	1.3
216.07701	8.8
219.11229	0.4
225.10332	1.1
227.08267	0.3
227.11783	0.5
231.11307	0.5
233.09248	0.4
233.12904	0.4
243.11349	0.7
245.09253	0.8
245.12900	0.3
259.10730	0.4
263.13947	7.2
271.10773	0.8
289.11819	3.4
307.12909	48.0
308.13217	0.4
332.03564	0.3
350.13495	69.2
350.28922	0.7
351.13763	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.18008	0.6
50.26580	0.6
53.03956	0.9
55.05522	3.4
55.21485	0.7
57.03448	0.7
67.05515	4.7
69.07071	8.2
71.04998	1.3
79.05502	4.3
81.07065	7.4
83.05004	0.7
83.08624	3.2
87.12135	0.7
91.05490	2.3
92.35957	0.6
93.07043	4.4
95.08612	5.7
97.06503	1.9
99.08058	0.6
105.07033	3.2
107.07921	0.7
107.08605	3.7
109.06527	6.2
109.10150	2.8
111.08087	2.4
111.39505	0.7
113.72652	0.6
117.90104	0.7
118.83966	0.7
119.08567	3.7
121.10165	2.8
123.08076	47.3
123.11686	1.0
123.50961	0.7
125.09670	1.1
133.10156	2.4
135.08081	3.4
135.11678	1.7
137.09662	3.0
145.10175	1.2
147.11652	1.8
149.09601	1.4
149.13281	1.7
159.11699	2.0
161.13222	1.2
163.11136	0.8
173.13283	1.1
179.14221	4.2
192.94380	0.7
273.25049	0.7
275.20026	2.4
293.21109	15.3
307.22852	0.8
331.26376	2.4
349.27399	100.0
350.27771	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	6.1
55.05507	15.5
57.03427	6.0
57.07069	5.5
64.98103	4.7
67.05505	32.9
67.49223	4.7
69.07071	29.0
71.04993	8.0
71.52875	5.9
76.98148	4.9
79.05507	35.7
81.07057	67.5
83.72327	4.9
89.66747	4.9
91.05479	51.9
93.07050	76.3
95.04977	29.3
95.08636	38.6
97.06547	19.5
100.98747	4.8
105.07040	100.0
107.04910	5.9
107.08586	63.7
109.06499	13.2
109.10149	33.5
115.05540	6.5
117.07053	21.7
119.08591	85.1
119.39772	4.5
121.06534	7.5
121.10159	89.4
123.08060	9.2
123.11716	9.4
126.50719	5.1
128.06268	6.1
129.07028	18.8
129.92181	5.3
130.07764	6.4
131.08571	55.3
133.10126	48.6
135.08060	14.3
135.11729	21.3
137.09665	8.1
142.07823	16.4
143.08598	30.1
145.10106	58.0
147.08025	9.0
147.11702	24.5
148.14380	4.8
148.57733	5.0
149.09645	14.7
149.13222	5.3
155.08524	13.1
156.09276	9.6
157.10130	38.3
158.10936	6.2
159.11714	28.0
161.09618	20.7
161.13277	10.5
168.09424	6.8
169.10156	16.9
171.11700	19.6
173.09688	7.2
173.13235	25.6
175.11186	9.5
175.14821	8.9
179.08553	12.2
179.14323	8.2
181.10094	11.3
183.11714	10.7
185.13286	13.0
187.14877	22.7
195.11705	8.8
197.13223	10.1
199.14854	13.1
201.16365	7.2
209.13257	20.5
211.14911	7.5
349.24951	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24258	2.3
53.03736	1.9
53.03939	15.0
55.01875	12.6
55.05522	26.0
56.96570	8.4
57.03443	25.6
57.07071	2.5
61.02923	7.2
65.03931	6.3
67.05514	77.1
69.03429	4.4
69.07073	66.7
69.07456	3.3
71.05006	4.6
79.05499	67.8
81.03429	39.6
81.07066	92.9
83.05009	16.1
83.08633	15.7
85.02899	6.0
85.06547	5.0
91.03922	3.0
91.05492	70.4
93.06486	3.6
93.07057	63.5
95.01337	23.4
95.04991	19.1
95.08617	54.3
97.02882	5.1
97.06551	25.3
97.10158	6.5
99.08094	3.0
103.05465	3.3
105.04488	2.7
105.07039	100.0
107.04962	34.3
107.08600	34.5
109.02878	2.3
109.06528	6.6
109.10151	14.6
111.08092	6.4
115.05463	4.6
115.18464	2.3
116.00162	2.2
117.07036	28.0
118.51872	2.8
119.08588	54.5
121.06511	7.8
121.10159	19.5
123.04409	5.4
123.08072	10.2
123.11727	4.6
125.09639	4.5
129.07005	6.2
131.08588	38.6
133.06503	3.1
133.10146	65.5
135.08058	8.8
135.11720	17.9
137.09612	5.0
141.06978	7.4
143.08578	8.4
145.06522	7.8
145.10147	29.4
147.08081	2.3
147.11697	29.0
149.09612	13.9
149.13274	13.8
155.08580	3.1
157.10138	6.0
159.11717	27.3
161.13269	10.8
163.11182	5.8
165.09129	5.1
169.10059	3.4
171.11758	6.4
173.13255	8.7
177.12724	9.0
179.14326	24.4
183.11671	5.8
185.13286	4.2
187.11191	8.0
189.12720	2.4
195.13780	3.9
197.13225	6.1
203.14247	2.9
205.12221	3.1
211.13367	3.1
213.07990	3.8
219.13802	3.2
239.17947	5.1
241.14258	2.7
247.20580	4.4
257.18982	12.9
267.09161	18.7
269.10687	10.2
269.17618	6.9
275.20090	93.5
285.10175	23.4
293.21146	3.5
308.11838	3.2
321.12756	2.8
349.16702	3.3
349.23740	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52452	2.4
53.03948	12.7
55.01881	15.4
55.05518	39.0
56.96570	6.6
57.03441	30.5
57.07092	3.8
58.54469	2.3
61.02919	5.8
65.03934	6.0
67.05511	84.8
69.03418	3.9
69.06725	4.3
69.07072	50.5
69.41328	17.5
71.04990	6.8
71.92009	2.7
79.05499	80.3
81.03426	19.9
81.06596	4.7
81.07063	93.5
83.04988	18.1
83.08629	16.7
85.02914	4.9
85.06541	7.2
91.05489	87.2
93.07052	73.1
95.01327	10.3
95.04977	15.3
95.08612	56.1
97.02888	4.5
97.06533	17.4
97.10159	6.4
98.20706	2.8
98.97573	2.8
99.08121	3.3
103.05471	3.2
105.04443	2.4
105.07043	96.2
107.04978	23.3
107.08607	48.3
109.06531	12.9
109.10163	25.1
111.08056	4.5
117.07016	29.9
119.08589	65.6
121.06513	6.3
121.10161	21.8
123.04401	3.2
123.08073	10.1
123.11745	5.4
125.09640	10.0
129.07027	7.1
129.86383	3.2
131.08575	36.0
133.10136	67.7
135.08063	11.4
135.11710	15.8
137.09622	9.8
141.07021	3.9
142.07684	2.7
143.08646	6.5
145.06415	3.8
145.10146	32.5
147.08058	3.6
147.11690	31.4
149.09624	21.2
149.13206	12.7
151.11244	4.0
155.08563	5.6
157.10121	7.1
159.11703	31.2
161.09659	2.9
161.13280	13.5
163.11209	10.8
169.10074	5.8
171.11726	7.5
173.11932	2.6
173.13284	10.0
175.11150	5.1
175.14862	3.5
176.71445	2.5
177.12762	11.3
179.14336	15.8
183.11659	5.6
187.11171	8.6
187.14828	3.2
193.12212	4.3
195.13829	3.0
197.13301	3.4
207.13939	4.9
215.17923	4.6
229.19521	6.3
233.15479	3.7
239.17871	3.1
247.20631	7.9
257.18997	14.6
267.06635	4.6
267.09100	7.0
269.10608	7.3
269.17328	6.8
275.20084	96.1
285.07501	4.8
285.10477	13.2
331.15808	3.3
349.23761	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03936	5.1
55.01875	12.0
55.05272	2.2
55.05515	32.0
56.96556	3.5
57.03439	16.6
61.02917	2.4
62.71338	1.3
62.71667	1.2
65.03930	3.7
66.70934	1.5
67.05507	50.4
69.03411	4.1
69.06735	2.3
69.07072	33.3
69.33959	2.9
69.34354	9.8
71.04977	5.0
73.02921	1.9
79.05497	66.5
81.03416	6.4
81.06595	2.7
81.07059	51.6
83.04981	6.8
83.08625	11.4
85.02904	2.5
85.06529	2.6
91.05487	50.4
93.07051	45.8
95.04974	11.6
95.08064	2.1
95.08614	25.6
97.06528	15.4
97.10163	8.1
101.01060	1.4
103.05465	2.4
105.04512	1.4
105.07037	56.0
106.04066	1.4
107.04962	14.9
107.07877	2.9
107.08601	56.7
109.06501	9.2
109.10168	16.1
111.08033	3.4
115.05462	1.5
117.07023	17.4
119.06083	1.7
119.08581	40.2
121.06480	4.7
121.10143	19.1
123.08074	4.4
123.11734	2.8
125.09628	10.1
129.06996	4.8
130.07808	3.1
131.08578	28.5
133.06485	2.5
133.10127	34.3
135.08026	5.4
135.11736	9.5
137.09605	3.8
141.06970	2.4
143.08575	9.4
145.06512	1.4
145.10130	53.9
147.11688	23.0
149.09618	19.2
149.13232	4.3
151.11166	4.2
153.09174	1.5
155.08530	2.2
157.10143	7.2
159.08000	1.7
159.11703	22.8
161.09613	2.6
161.13235	8.0
163.11203	8.8
165.09172	2.3
165.12738	1.8
169.10127	4.3
170.27281	1.4
171.11697	10.6
173.13245	10.4
175.11142	2.1
177.12738	3.5
179.14297	4.6
181.12206	1.8
183.11684	7.6
185.13235	2.3
187.11206	1.8
189.11238	7.2
193.12183	2.0
197.13220	6.8
201.12675	1.8
205.12170	1.8
211.14728	1.5
213.08202	1.7
215.17961	1.5
229.19560	4.4
233.15329	2.2
239.17888	9.3
247.20610	3.5
256.09305	1.5
257.19009	32.6
267.09122	3.0
275.20078	67.2
276.20773	1.6
328.11374	1.7
331.22720	3.9
349.19943	10.0
349.23743	100.0
350.23950	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Isoramanone
Peak:m/z	Relative Intensity
53.03949	4.4
55.01858	4.0
55.05507	23.8
57.03419	10.5
61.02916	4.3
67.05496	32.1
69.03413	7.1
69.07065	25.5
70.18875	3.3
71.04999	4.0
71.53764	4.4
72.70050	3.1
79.05494	32.9
81.03407	13.9
81.07059	76.3
83.04992	9.5
83.08615	12.7
85.02898	4.4
85.06503	6.1
91.05474	27.8
93.07040	38.7
95.04970	8.8
95.08608	39.1
97.06536	5.6
97.10160	5.7
105.07021	34.5
107.04957	27.8
107.08607	42.7
109.02882	6.6
109.06503	12.7
109.10135	28.1
117.07019	11.2
119.08583	29.6
121.06511	9.4
121.10135	33.1
123.08073	3.8
123.11689	19.5
128.68654	3.7
129.06963	10.4
131.08546	21.0
133.06456	12.0
133.10130	32.1
135.08086	5.0
135.11676	15.4
137.05952	8.5
137.09564	5.3
143.08574	18.4
145.06473	4.0
145.10117	14.8
147.08047	9.0
147.11748	17.3
149.09598	10.5
149.13249	13.8
155.08522	5.9
157.10110	16.9
157.26547	3.5
159.08078	4.6
159.11717	17.5
161.09624	10.0
161.13228	15.8
163.11186	7.5
163.14822	14.7
169.08676	6.6
169.10172	11.0
171.08029	9.5
171.11769	8.7
173.13284	11.4
175.14835	9.0
175.48892	3.7
177.12712	6.7
177.16307	10.2
179.14331	4.3
183.11682	9.9
185.13303	9.8
187.14796	8.3
189.09106	15.0
189.11028	3.1
189.16425	21.5
197.13185	5.8
201.12769	4.5
204.68425	3.6
205.12164	4.3
207.10091	4.7
207.82269	3.9
213.16441	9.4
217.19490	3.9
227.17946	10.4
229.19606	11.8
231.17496	26.5
243.21065	4.4
247.20448	4.5
253.19301	7.8
257.18939	5.0
267.09143	4.3
267.21097	6.8
271.20450	17.7
275.20142	19.6
285.10086	10.4
285.22101	10.3
289.21753	19.2
291.19547	13.1
293.21066	3.4
295.20563	16.1
303.23138	5.4
313.21625	81.1
314.21936	3.7
331.22687	100.0
349.16727	5.2
349.23746	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	ACTG toxin B
Peak:m/z	Relative Intensity
53.03944	3.3
55.01859	3.4
55.05523	20.2
57.03446	13.8
57.07067	12.2
59.04979	4.3
67.05513	25.7
69.03410	11.6
69.07078	24.0
69.94794	8.1
69.95197	4.9
71.04998	60.8
73.02911	10.3
75.04491	6.0
75.67594	3.2
79.05511	18.2
81.03400	6.8
81.07056	46.0
83.04996	16.7
83.05393	3.1
83.08611	8.8
85.02435	4.6
85.02910	65.0
85.06519	4.3
87.04458	11.0
87.08089	8.6
89.06025	11.8
91.05470	26.4
93.07044	36.9
95.04955	13.3
95.08614	100.0
97.06525	8.6
99.04452	7.5
105.06400	4.5
105.07041	47.4
107.04949	6.7
107.08607	39.6
109.06532	7.5
109.10154	30.1
111.04427	4.8
111.08053	3.3
111.11709	5.5
113.06001	4.1
117.07054	13.2
119.07807	4.3
119.08592	52.6
121.06485	8.1
121.10143	33.0
123.08130	3.6
123.11726	38.7
125.05977	5.0
127.07553	2.7
129.05533	13.9
129.06979	3.4
130.06560	13.1
131.07019	3.2
131.08582	28.2
132.04510	6.0
133.08575	4.8
133.10144	38.4
135.08087	3.7
135.11681	21.4
137.09612	4.1
142.07738	3.9
143.08612	15.9
145.06578	4.2
145.10132	45.4
147.06587	3.6
147.11708	41.1
149.13237	12.7
151.07448	3.5
151.11147	3.5
155.08496	7.6
157.07663	3.8
157.10170	16.6
158.06012	12.0
159.08052	4.9
159.11713	24.0
161.09608	6.6
161.13234	12.7
165.09079	3.5
168.09328	2.9
169.10135	5.7
171.10355	3.2
171.11693	16.2
173.09616	4.2
173.13239	11.7
175.08701	7.6
175.11215	6.1
175.14822	5.3
183.11711	9.1
185.13260	11.6
187.11203	6.9
187.14819	30.2
189.16394	28.2
191.17903	10.3
194.12061	3.0
197.13332	4.2
199.14748	7.1
201.16447	32.8
203.17975	38.5
205.12244	3.3
209.13306	3.3
213.12788	2.9
213.16475	12.9
215.18063	16.4
217.19623	4.8
219.07962	21.7
219.17383	2.9
225.16406	6.1
227.17973	17.8
229.19533	7.0
231.17528	5.4
233.11731	6.7
239.17967	8.0
243.17479	10.9
245.18971	9.5
251.17990	5.2
257.19016	11.5
261.18619	3.1
269.18939	7.8
285.11252	8.3
287.20157	6.8
295.20651	6.7
313.21689	13.6
317.15027	6.6
331.11728	7.8
331.22617	22.7
349.12619	3.8
349.23758	83.3
350.28674	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	2.2
53.03933	8.7
55.01875	20.3
55.05272	3.0
55.05512	40.9
56.96569	5.2
57.03442	29.6
61.02921	2.6
67.05508	64.8
69.03448	5.3
69.07072	41.4
71.04985	7.4
73.02908	3.8
79.05497	90.8
81.03443	11.0
81.06593	3.0
81.07063	56.4
83.04973	7.7
83.08616	17.1
85.02900	5.1
85.06531	5.1
90.95977	2.2
91.05486	67.6
93.06477	3.6
93.07045	49.0
95.01356	3.2
95.04989	13.5
95.08613	38.4
97.02880	3.8
97.06536	19.2
97.10169	16.7
98.97562	2.3
101.22361	2.1
105.07035	84.3
107.04958	20.2
107.08601	100.0
109.06502	9.4
109.10161	19.7
111.08075	4.6
115.05399	2.8
115.27312	2.0
117.07037	26.2
119.08578	48.7
121.06467	7.8
121.10154	20.3
123.08072	6.5
123.11733	6.4
125.09649	15.1
125.75974	2.3
127.03983	2.3
128.06160	4.7
129.07013	7.2
130.07713	2.7
131.04950	2.4
131.08566	32.8
133.10130	43.8
135.08044	7.7
135.11671	12.5
137.09570	4.0
141.06993	6.3
141.45731	2.1
143.08566	13.3
145.06470	5.0
145.10130	86.4
147.11685	34.2
149.09616	23.5
149.13219	5.4
151.11253	3.2
155.08548	4.4
157.10135	7.3
159.11726	26.8
161.09610	5.1
161.13245	10.1
163.11179	13.0
167.08597	3.2
169.10110	7.7
171.11662	14.9
173.11836	4.0
173.13271	10.5
175.11153	2.6
175.14879	2.6
177.12743	5.6
179.14339	4.9
181.10098	4.9
183.11700	10.1
185.13229	9.2
187.11209	4.7
189.11295	12.3
193.12245	4.1
195.08076	4.1
195.11702	21.0
197.13264	8.1
203.14346	2.5
219.13869	2.5
219.17485	3.7
223.11166	2.7
229.19661	5.0
235.11159	3.2
237.12755	7.4
239.17940	21.9
247.20624	5.4
252.03464	2.2
257.19019	62.2
258.19586	2.6
267.08984	13.3
268.09393	4.9
269.12543	4.8
275.20053	74.4
275.45422	2.3
285.10162	17.3
286.10468	5.8
287.11862	3.4
331.22562	7.8
349.23563	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	20.1
55.01877	21.6
55.05308	2.7
55.05516	30.4
56.96571	14.1
57.03434	24.2
57.07079	2.9
61.02918	11.1
65.03935	4.3
67.05507	83.2
69.03423	8.0
69.06729	5.5
69.07072	66.6
71.04958	5.9
71.53247	3.7
73.02917	5.7
79.05075	5.2
79.05498	78.1
81.03422	39.0
81.06590	5.1
81.07059	100.0
83.04975	15.8
83.08631	18.9
85.02911	13.6
91.03969	7.0
91.05486	79.7
93.06486	5.2
93.07052	80.0
95.01329	19.0
95.04974	29.0
95.08061	4.8
95.08617	62.6
97.02892	8.3
97.06555	26.8
97.10155	9.5
98.97594	4.7
99.04462	4.0
103.05502	3.9
105.04515	3.7
105.07034	97.1
107.04964	48.2
107.08588	42.6
109.06503	12.2
109.10152	18.3
111.08100	5.1
113.05991	4.3
117.07018	30.3
119.08591	57.1
121.06485	8.9
121.10134	17.8
123.04420	7.2
123.08040	8.8
123.11669	6.7
125.09608	4.5
127.03899	4.1
129.07022	6.0
131.00127	3.2
131.08574	43.3
133.06476	4.2
133.10147	71.5
135.08037	11.4
135.11685	19.5
137.09573	5.1
141.07019	4.6
143.08527	9.3
145.06517	8.4
145.10115	33.0
147.11687	24.1
149.09612	7.3
149.13271	10.7
149.68134	3.0
157.01671	3.7
157.10117	6.3
157.33374	3.0
159.11700	33.0
161.02937	4.7
161.09676	3.5
161.13263	12.1
163.11201	8.4
165.09207	4.5
167.03708	3.3
169.10201	6.1
171.11751	8.0
173.13280	8.0
174.98886	4.4
175.11186	3.4
177.12746	13.3
179.14340	31.8
183.11649	8.1
185.04753	3.8
185.13185	3.4
187.11183	11.4
195.11821	4.7
195.13753	9.7
197.13312	3.7
211.13264	5.0
213.08029	4.9
213.14862	4.3
219.13776	3.4
229.19424	4.6
231.08981	3.4
239.17947	5.7
243.08922	3.5
247.20618	6.7
257.19034	13.4
267.09073	34.4
267.61523	4.6
268.11447	8.5
269.10516	18.4
269.17453	6.4
275.20062	93.5
285.10138	33.4
286.10287	5.0
287.11957	3.6
308.11755	6.4
331.22992	3.3
340.15234	7.3
341.16028	4.3
349.23920	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1493
Annotation	Phyllaemblic acid B
Peak:m/z	Relative Intensity
53.03936	4.9
53.04182	1.2
55.01877	2.6
55.05519	10.1
55.05743	2.4
57.03439	7.3
61.02916	3.8
67.05480	2.6
69.03431	39.3
69.07054	2.8
69.52498	9.9
71.04986	5.0
73.06551	23.8
79.05495	2.6
81.03431	15.0
81.07058	4.4
85.02908	100.0
86.09679	2.1
87.04472	10.9
91.05476	3.3
93.07043	3.0
95.08580	4.8
97.02888	14.7
97.06513	3.6
99.04462	10.8
100.73402	1.5
101.06014	13.1
107.04957	3.1
107.08554	3.8
109.02900	16.4
111.04390	2.4
115.03928	23.3
127.03920	73.5
133.10095	2.9
140.06995	1.9
145.04968	19.0
151.11179	2.8
157.08612	4.0
158.50681	1.5
169.08575	2.0
169.12218	3.2
181.08617	2.3
186.05835	1.8
199.09660	4.8
203.03310	2.7
241.07010	4.7
249.61197	1.5
249.63910	1.5
252.71866	1.4
259.08102	9.6
259.10382	1.6
271.10846	2.5
282.65555	1.5
285.12482	2.2
289.11743	1.7
304.17346	1.5
313.11874	2.3
321.07626	3.2
331.13571	8.4
349.07175	7.5
349.14209	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	349.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01873	2.5
55.05521	14.8
55.87313	1.0
57.03443	6.3
57.07069	1.2
61.02940	6.1
67.05499	2.2
69.03440	45.2
69.07071	1.9
69.73747	5.3
69.74164	2.6
71.04993	5.2
72.73187	1.2
73.02908	1.1
73.06569	39.4
76.02230	1.7
79.00401	1.0
79.05497	3.0
81.03430	17.0
81.03872	1.9
81.07050	3.9
83.01347	1.6
83.04971	1.8
83.08604	2.3
85.02917	100.0
86.64626	1.1
87.04485	12.8
91.05487	2.4
93.07047	3.1
95.04983	1.2
95.08632	2.1
97.02905	27.6
97.03922	1.1
97.06538	1.7
98.97620	1.9
99.04465	10.4
101.05387	2.1
101.06034	31.4
103.03926	1.3
105.07049	2.6
107.04966	2.8
107.08614	3.0
109.02890	15.8
109.10168	2.1
111.04449	1.3
115.03944	25.6
119.08640	1.6
121.10178	1.4
123.08010	1.5
123.11734	2.8
127.03937	67.1
131.08603	3.0
133.04971	1.5
133.10138	2.1
135.04439	2.3
135.08163	1.5
141.09081	2.1
143.06989	1.5
145.04970	18.4
145.10155	2.4
151.11192	2.7
153.09120	2.0
157.08609	5.1
168.06630	1.1
169.08627	3.2
169.12279	4.3
173.13289	3.1
175.11252	1.4
181.08623	3.8
199.09654	5.9
203.03415	3.1
213.35896	1.1
217.10777	2.3
218.07291	1.7
223.10252	1.0
241.07097	3.6
259.08273	7.2
289.11938	1.5
296.47269	1.3
306.14578	2.2
320.06802	1.4
321.07593	4.6
331.09705	2.6
331.13699	9.6
349.07086	5.7
349.10684	3.4
349.16901	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	348.2744
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
53.03954	1.2
55.01877	1.0
55.05517	3.7
56.05040	3.6
57.03445	1.9
57.07098	1.2
59.05004	3.2
60.04531	100.0
67.05510	15.3
68.05034	1.4
69.03445	2.9
69.07069	3.4
70.06596	1.7
70.29972	1.1
71.05010	2.2
72.04549	2.2
74.06096	1.9
79.05501	10.8
80.05051	1.3
81.03417	0.9
81.07058	19.1
81.07526	1.1
82.06599	2.2
83.04996	1.2
83.08628	1.8
85.02910	6.0
85.06534	1.2
86.06118	0.9
90.05579	1.8
91.05488	9.6
93.07053	17.1
94.06581	2.3
95.04982	2.9
95.08619	10.5
96.08137	1.3
97.02922	1.9
97.06562	3.5
98.06114	0.8
99.04482	1.3
105.07038	5.5
107.04980	0.8
107.08604	16.5
107.09309	1.2
108.08157	1.3
109.06536	5.4
109.10165	14.9
111.08076	3.7
112.07637	0.9
113.09676	0.6
116.07140	0.9
117.07045	2.4
119.08573	4.0
121.10143	10.7
123.08098	1.6
123.11718	9.1
127.03949	1.6
129.06995	1.0
131.08577	3.4
133.10149	7.5
135.08112	0.7
135.11722	3.4
143.08636	0.9
145.10176	2.4
147.11737	2.3
149.09631	2.0
151.11192	20.3
151.12378	1.3
159.11719	1.0
161.13263	1.0
167.10756	1.0
169.12254	24.9
169.13680	1.3
171.11650	0.8
171.69800	0.7
173.13242	1.6
191.14288	0.8
203.18129	0.8
241.12619	1.1
258.22171	1.4
259.20520	0.9
270.24405	1.2
276.23233	3.4
276.79022	0.7
294.15375	1.3
294.24380	7.0
312.16263	2.4
312.25305	10.0
330.17465	2.2
330.26410	38.6
347.67291	0.8
348.27463	83.6
349.27859	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
55.05509	0.7
57.03428	1.6
61.02927	2.0
63.29377	0.4
69.03432	4.8
71.04980	0.9
73.02909	1.1
74.26014	0.5
79.36275	0.4
81.03423	2.5
81.07037	1.1
83.37233	0.4
84.04506	0.6
84.08149	0.5
85.02911	21.9
87.04435	0.9
91.03966	0.7
91.05490	10.3
93.07095	0.6
95.04964	2.1
97.02894	5.4
99.04450	0.9
107.08584	0.7
109.02883	1.9
109.07636	1.1
111.25132	0.5
119.04955	10.2
121.06478	0.5
122.02715	0.8
123.04414	0.6
123.08022	0.7
124.04890	0.4
127.03923	2.5
136.05197	1.7
136.06204	1.5
137.06001	1.6
145.04959	4.7
146.06023	0.7
147.04369	0.5
151.07555	100.0
152.07941	0.6
157.06509	0.5
163.03929	0.9
163.06126	0.5
165.09166	1.0
169.08621	11.9
169.12222	0.5
180.08707	1.3
181.08658	0.8
193.08566	1.8
203.07582	0.9
205.08719	0.5
217.08665	0.7
231.10146	0.4
235.09718	0.7
259.09521	0.9
260.21310	1.4
265.11002	0.5
277.10831	1.6
295.11786	0.9
297.21353	0.5
297.68408	0.4
304.23611	0.7
323.60428	0.4
349.08810	1.2
349.12738	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
55.05509	0.7
57.03428	1.6
61.02927	2.0
63.29377	0.4
69.03432	4.8
71.04980	0.9
73.02909	1.1
74.26014	0.5
79.36275	0.4
81.03423	2.5
81.07037	1.1
83.37233	0.4
84.04506	0.6
84.08149	0.5
85.02911	21.9
87.04435	0.9
91.03966	0.7
91.05490	10.3
93.07095	0.6
95.04964	2.1
97.02894	5.4
99.04450	0.9
107.08584	0.7
109.02883	1.9
109.07636	1.1
111.25132	0.5
119.04955	10.2
121.06478	0.5
122.02715	0.8
123.04414	0.6
123.08022	0.7
124.04890	0.4
127.03923	2.5
136.05197	1.7
136.06204	1.5
137.06001	1.6
145.04959	4.7
146.06023	0.7
147.04369	0.5
151.07555	100.0
152.07941	0.6
157.06509	0.5
163.03929	0.9
163.06126	0.5
165.09166	1.0
169.08621	11.9
169.12222	0.5
180.08707	1.3
181.08658	0.8
193.08566	1.8
203.07582	0.9
205.08719	0.5
217.08665	0.7
231.10146	0.4
235.09718	0.7
259.09521	0.9
260.21310	1.4
265.11002	0.5
277.10831	1.6
295.11786	0.9
297.21353	0.5
297.68408	0.4
304.23611	0.7
323.60428	0.4
349.08810	1.2
349.12738	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32700	0.4
56.02841	0.3
61.02926	0.4
69.03429	0.5
70.06578	0.6
71.53512	0.4
81.07047	0.7
85.02885	1.0
91.05480	3.8
93.07051	0.5
95.08606	0.4
99.82222	0.4
103.60050	0.3
107.04968	4.2
108.05724	1.5
109.07617	0.5
114.07355	0.3
135.04411	1.3
136.05235	0.9
151.07553	100.0
152.07896	0.9
156.08005	0.8
164.21237	0.4
172.07552	0.4
174.05545	1.2
221.73566	0.4
265.32861	0.4
348.10678	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34509	0.8
55.01875	1.6
55.05496	0.9
56.96564	3.4
57.03426	1.6
60.04524	0.9
60.08173	0.8
61.02929	1.6
61.62854	0.8
67.05488	1.4
69.03423	6.5
69.07067	40.3
70.06586	3.3
71.04969	1.4
71.52567	0.8
72.35506	0.8
73.02913	1.0
76.34799	0.7
79.05496	1.3
81.03400	2.3
85.02907	13.8
85.64894	0.8
85.85989	0.8
86.09724	1.0
91.05479	2.9
95.04960	2.8
97.02886	9.1
97.06538	4.9
98.97575	2.0
99.04444	1.4
103.03963	1.1
104.65063	0.8
107.04933	1.0
109.02887	2.0
111.04481	1.0
112.07609	4.4
113.64292	0.8
114.05521	1.5
119.04959	1.9
119.26577	0.8
123.04427	3.6
126.05461	1.3
127.03069	0.7
127.03900	4.2
128.98671	1.0
135.07985	0.8
136.06184	21.8
137.61436	1.0
139.03900	2.5
140.07066	44.5
141.05496	0.8
145.04910	1.3
147.04375	6.3
154.08650	0.9
157.07664	0.8
163.03938	2.8
164.07022	0.9
168.06561	100.0
169.08623	1.0
177.05486	1.1
177.21910	0.8
182.08157	8.8
186.07634	18.3
206.08232	1.2
210.07602	16.5
219.01733	1.1
228.08722	2.4
233.13187	0.8
234.07628	2.9
237.02898	1.1
248.23854	0.9
252.08812	1.2
276.08762	2.0
299.51968	0.8
301.48035	0.8
312.10794	0.8
327.04196	1.0
330.11786	1.0
348.07370	1.5
348.13266	2.7
348.17035	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1681
Annotation	Arg Gly Asp
Peak:m/z	Relative Intensity
55.05502	0.3
56.46982	0.2
66.17076	0.2
67.05512	0.4
69.03413	0.4
69.87721	0.9
79.05476	0.3
81.03443	0.2
81.07051	0.7
83.48438	0.2
85.02897	0.7
93.07043	1.0
95.08624	0.3
97.06535	0.4
105.07027	0.3
105.55386	0.2
121.10153	1.0
146.92018	0.2
149.09613	0.3
150.09554	0.3
167.10652	0.6
167.14377	0.3
185.11526	2.5
185.15434	0.5
261.53040	0.2
338.89233	0.2
347.16800	100.0
348.17197	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01880	11.6
55.05516	100.0
56.96546	2.0
57.03444	11.6
59.05007	1.7
61.02915	3.1
62.35075	1.7
67.05495	4.2
68.99788	1.8
69.03086	2.3
69.03432	32.1
70.06596	2.4
71.01346	3.3
71.04990	7.7
73.02911	6.1
79.05496	2.7
81.03416	5.2
81.07068	8.2
83.01327	2.1
83.04992	1.7
83.08623	74.7
85.02910	39.0
85.06538	4.6
86.09698	3.6
87.00835	15.7
87.04472	4.3
91.05489	4.3
93.07030	5.0
95.08595	4.5
97.02903	33.2
97.06541	1.9
99.04451	7.5
99.08090	2.5
101.09645	6.0
105.01858	12.6
105.07064	2.6
107.04948	1.6
107.08559	3.6
109.02879	3.2
109.06519	3.1
111.04433	2.1
113.06031	3.7
115.03938	56.8
121.06499	1.8
121.10114	3.9
122.02750	4.1
122.10457	2.5
123.04441	11.0
123.08069	3.7
125.02367	10.5
125.05987	2.5
125.09686	2.1
127.03919	9.7
131.08598	1.9
133.04968	12.8
133.06493	1.8
135.04431	1.5
135.11691	1.6
137.06042	3.8
137.09639	1.9
139.03883	6.6
145.04961	6.6
147.04428	4.3
148.04758	2.0
149.09671	2.5
150.05171	1.5
151.07562	13.6
161.04469	24.3
163.03923	2.9
164.11455	1.9
165.47456	1.6
167.10706	8.4
169.04970	1.5
169.08742	1.6
175.56596	1.8
179.05449	3.7
185.08066	3.0
185.11722	11.3
191.03537	1.9
195.02901	6.9
201.03963	7.2
208.14142	3.6
219.05048	9.1
247.04453	6.6
271.08392	4.0
272.39883	1.8
301.07019	4.3
347.12912	11.6
347.16656	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28011	1.7
51.50734	1.4
53.03941	4.0
55.01872	14.1
55.05516	100.0
57.03452	11.0
61.02928	3.7
67.05506	2.9
69.03432	28.2
69.07055	1.6
70.03754	1.8
70.06609	1.9
71.04991	7.7
71.52821	2.3
71.53262	2.4
71.63438	1.4
73.02927	3.7
79.05509	3.0
81.03419	6.4
81.07051	6.5
83.04995	2.9
83.08624	62.2
84.08151	1.8
85.02912	41.4
85.03371	1.4
85.06548	5.8
86.09711	3.3
87.00837	11.5
87.04477	5.3
88.61819	1.8
91.05483	4.3
93.07053	2.8
95.04980	2.5
95.08627	3.0
96.29182	1.5
97.02903	36.2
97.06506	2.6
99.04459	3.7
101.09699	3.9
105.01876	11.3
105.07013	1.8
107.08614	4.3
109.02901	3.9
109.06551	6.5
109.10138	1.8
111.08067	1.8
113.06048	3.7
115.03939	56.7
118.26894	1.4
119.04927	3.8
121.06494	2.7
121.10146	3.6
122.02766	4.0
122.10420	2.0
123.04449	9.9
123.08102	2.4
125.02364	6.8
125.09671	2.6
125.26483	1.8
127.03910	8.4
130.59009	1.6
131.08580	2.0
133.04987	7.4
137.05991	7.0
139.03931	7.0
145.04980	5.2
147.04393	4.0
148.04762	2.0
151.07576	12.7
156.58298	1.8
161.04492	18.7
163.03958	2.7
165.05481	2.1
165.06932	1.7
165.09143	1.9
167.07086	2.5
167.10725	7.7
185.08147	4.0
185.11771	10.1
191.14661	1.7
195.02946	7.5
201.03947	5.8
208.14207	3.3
219.05057	9.1
234.99048	2.2
247.04575	4.7
255.06445	2.0
285.11115	1.9
301.07095	4.5
329.06613	3.8
347.13095	12.6
347.16782	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
55.05519	6.3
55.71515	4.9
56.96569	45.9
57.03436	12.4
57.11046	5.0
58.99202	5.1
61.02912	4.4
62.96272	4.7
69.03425	20.8
69.07056	6.1
70.06578	4.4
70.16448	20.6
71.05003	7.2
72.93806	4.8
73.02937	6.5
73.24783	4.7
74.28428	4.6
75.04496	8.1
79.05513	5.9
81.03416	9.9
81.07056	5.6
83.04979	5.9
84.08130	6.0
84.96057	8.3
85.02908	35.2
86.09716	7.9
91.05484	17.8
94.70005	4.6
97.02921	24.0
98.97586	42.5
103.03954	13.8
107.08704	4.3
110.97522	7.7
115.03914	10.4
116.18224	4.7
116.98637	11.9
119.04931	12.1
121.02872	12.8
127.03923	15.9
128.98589	8.8
131.08556	6.1
132.95847	12.2
135.04427	9.0
136.06143	8.9
137.06012	11.6
139.03917	22.7
140.07079	8.6
143.00174	6.7
145.03571	5.5
147.04410	50.6
158.99734	8.1
161.01212	11.9
163.03906	26.7
168.06573	20.2
189.00714	9.2
189.07477	6.7
194.07095	8.8
203.07584	6.4
207.01915	10.2
219.01753	12.6
237.02693	6.9
268.73932	5.2
285.12903	7.6
347.07593	94.7
347.13123	100.0
347.17310	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	346.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	64.7
57.03427	2.8
58.99873	1.2
59.78563	1.1
61.01138	1.4
61.02937	8.8
69.03436	6.1
70.06590	1.7
70.98131	12.9
70.99837	1.2
71.04996	1.9
71.52419	2.1
71.95260	2.0
73.02898	2.4
74.97614	1.9
81.03403	2.7
84.08140	1.3
84.96026	7.6
85.02909	11.3
86.03214	1.8
86.09673	1.4
87.04466	2.7
88.99178	7.1
91.05482	7.0
95.04934	1.4
95.71231	1.1
97.02893	6.5
98.97590	36.0
100.99121	1.8
101.00883	7.3
103.02433	2.2
109.02903	1.9
110.97575	11.2
112.92319	1.1
112.99136	3.3
115.00700	3.0
115.02433	1.6
116.98631	14.7
117.00230	1.6
117.01920	1.4
117.04000	2.7
118.01036	2.1
119.01920	6.7
119.04957	8.3
121.02828	2.4
122.05996	1.4
123.04311	1.3
124.95483	1.1
124.99117	8.9
127.00677	2.6
127.01561	2.3
127.02408	2.5
127.03909	4.0
128.98613	17.5
129.00226	1.4
129.03981	1.7
130.93279	12.7
131.00151	2.4
131.01917	3.5
133.01639	3.5
133.03479	5.8
134.92577	2.1
134.93561	1.0
134.99646	4.7
136.06186	3.5
136.99136	1.7
137.08197	1.3
138.08702	2.2
139.00592	1.2
139.03937	5.9
139.04817	1.1
140.02277	1.4
140.98611	4.4
143.00171	17.0
143.01889	3.4
144.98079	2.6
145.01694	1.8
145.03473	8.8
145.04771	1.6
146.99667	18.1
147.01289	2.8
147.03226	2.5
147.04379	26.4
148.02039	1.3
148.04750	3.9
148.07542	1.3
148.94316	1.6
149.01154	2.0
149.02956	4.9
154.93263	24.8
154.96500	1.4
155.00150	9.4
156.03625	1.3
156.98042	1.6
158.92827	6.9
158.99658	9.9
159.01320	2.0
159.05014	1.9
161.01199	13.6
161.02954	4.3
162.99110	5.5
163.03952	3.8
165.00690	10.5
166.08667	5.6
167.08978	6.1
168.06581	1.3
169.03462	2.3
170.99638	5.2
171.01468	1.6
171.05096	2.2
172.94357	48.5
172.97523	8.4
173.01216	12.8
173.02936	3.7
173.94661	1.4
173.97891	1.4
174.97650	2.0
174.99132	4.7
175.00896	6.1
175.04448	1.6
176.01393	1.4
176.93767	2.8
177.00694	9.1
177.02423	3.2
179.02219	1.5
180.02678	1.3
181.00595	1.7
182.53291	1.4
183.01927	1.4
184.09723	4.0
184.55142	1.3
185.01244	1.6
185.02910	2.0
185.06473	1.6
185.10051	4.4
186.95851	2.3
186.99150	4.1
187.02870	1.9
187.04460	2.0
188.97128	2.0
189.00748	25.5
189.02423	3.7
189.06134	1.3
190.01353	6.3
190.95412	28.1
190.98642	10.6
191.00226	1.7
191.02303	8.9
191.03909	2.3
193.00192	3.0
196.94357	12.1
198.95920	3.8
200.93834	1.8
200.97182	2.6
201.00754	3.6
201.02452	2.8
202.01317	1.4
202.95425	1.7
203.02242	3.1
203.03949	1.8
205.00217	18.5
205.01997	2.2
205.03780	2.6
207.01778	25.9
207.03462	1.1
208.52214	1.4
208.96449	6.1
208.99666	2.1
209.03214	3.2
210.95863	2.0
211.01906	4.2
212.93761	1.5
214.95404	32.9
214.98575	1.9
215.00595	1.9
215.04004	2.6
216.97006	15.7
217.00179	7.5
217.01999	1.5
218.94894	2.9
218.98256	3.7
219.01772	5.3
219.03520	3.9
220.02325	3.6
222.94284	1.7
223.01242	14.0
224.97517	1.9
225.02467	1.9
226.02232	1.4
227.00475	2.4
228.05701	5.9
228.96935	10.6
230.94849	5.7
230.98375	1.4
231.01776	2.0
232.02307	2.6
232.94173	1.2
232.96451	37.0
232.99731	6.8
233.03401	1.8
234.98036	5.2
235.01183	11.1
236.99112	1.9
237.02785	4.1
238.95399	20.9
240.96916	2.2
241.02792	6.5
241.97621	1.3
242.03505	1.9
242.94966	2.7
242.98428	4.6
243.03609	2.6
244.96371	6.5
245.01439	4.3
245.05154	1.7
246.94400	6.3
246.98004	14.8
248.03650	1.5
248.95901	13.4
248.98317	1.6
249.02634	1.7
250.03407	2.7
250.97501	5.1
251.00710	5.2
251.04379	2.2
256.07172	1.8
256.57257	2.5
256.96463	71.2
257.05099	1.9
258.97778	1.5
259.01242	1.4
260.95938	5.8
262.93817	2.2
262.97498	11.5
264.95413	2.2
266.97159	2.7
268.96466	1.4
269.05414	5.0
274.97510	100.0
277.02057	2.4
278.97000	2.3
280.94901	3.4
280.98465	4.1
281.01428	2.6
285.02716	3.5
286.94232	2.2
286.97504	24.3
287.00671	5.6
287.06113	2.0
288.95471	5.0
292.98651	13.3
293.05511	1.3
299.02451	1.5
302.96945	2.0
303.03738	1.5
304.94904	14.3
304.98441	85.5
306.96579	3.1
319.03412	3.8
322.95963	11.9
322.99615	42.9
323.96289	1.3
328.00168	3.1
328.95099	1.4
341.00949	2.2
346.96155	5.6
347.02927	4.3
347.07300	4.2
347.15369	15.9
364.96942	7.4
365.07358	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	346.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27918	2.8
55.01875	5.9
55.05513	27.8
56.96572	3.9
57.03440	6.5
57.07077	3.1
65.00123	2.6
65.03922	2.8
67.05508	85.4
69.03457	5.0
69.07073	31.6
70.06586	2.8
70.21561	2.9
70.24983	7.1
71.04988	4.5
71.25581	2.6
79.05498	39.2
81.06590	4.4
81.07059	72.7
83.04979	6.9
83.08612	25.3
83.13677	2.7
91.05480	25.9
93.07049	37.9
94.97565	2.7
95.04993	7.8
95.08615	32.7
97.06544	9.3
97.10177	18.2
97.87308	2.7
98.20834	3.9
98.97584	21.2
99.08098	4.9
105.07041	18.5
107.04945	3.4
107.08598	43.5
109.06522	6.9
109.10164	62.5
110.98616	3.3
111.08080	10.6
112.99173	4.8
116.98640	9.2
117.07022	10.3
119.08575	21.2
121.10138	16.9
123.08052	3.5
123.11711	4.9
125.09629	12.7
131.00175	7.4
131.08577	11.6
133.10138	22.9
135.08098	4.0
135.11697	10.1
137.09636	8.2
143.08551	3.2
145.10118	8.6
147.11696	11.9
149.01222	4.4
149.09639	10.0
149.13261	12.8
151.11176	3.9
155.10651	23.8
157.10124	5.8
158.99654	8.2
159.11707	15.2
163.11147	5.6
167.07181	3.0
173.01205	10.5
173.11742	100.0
173.13141	5.2
177.00697	5.5
177.12772	6.0
179.14355	4.2
183.11578	3.2
189.11226	21.2
191.02266	4.0
195.13826	31.8
196.48909	3.9
201.00864	4.5
213.14896	18.9
219.01945	3.6
239.17899	4.5
244.99762	11.3
257.19022	7.5
275.20071	68.5
293.21124	14.8
346.27264	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	345.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.4
54.65078	3.6
55.05509	25.2
55.31196	3.8
56.96548	5.0
57.07071	8.6
67.05505	43.6
69.03420	9.4
69.07078	48.6
70.33241	15.4
71.04996	7.1
71.08614	4.5
74.01314	4.5
79.05502	23.0
81.00220	4.4
81.06594	5.3
81.07064	100.0
83.08627	24.4
85.06561	13.1
91.05472	18.0
93.07055	51.3
95.04958	4.2
95.07987	5.0
95.08609	94.2
97.10172	17.9
98.21469	4.7
98.97559	4.6
99.08064	6.3
99.31635	4.0
105.07040	21.4
107.08614	37.5
109.02888	4.7
109.06503	8.8
109.10153	44.2
111.08118	3.7
111.11697	13.3
114.65767	4.8
117.07044	4.4
119.08585	21.8
121.10156	24.2
123.11724	36.6
133.10130	18.3
135.11676	18.4
137.09607	5.3
137.13293	12.2
139.11137	4.3
145.10080	4.5
147.11707	12.2
149.13281	31.7
161.13301	9.9
163.14848	13.8
174.23767	4.3
175.07706	5.7
175.14825	4.0
177.16388	7.4
179.14380	4.7
183.02922	5.0
187.20648	4.0
273.25653	7.5
279.26855	8.4
291.26843	12.2
309.27869	8.5
313.53561	4.3
327.25467	4.6
345.20657	6.2
345.25885	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	345.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53772	1.2
53.03952	1.9
53.09490	1.2
55.01873	2.1
55.05276	1.3
55.05516	20.2
57.03437	2.6
57.07085	9.9
59.05001	1.7
63.83098	1.1
64.86397	1.3
66.92691	1.3
67.05514	24.1
69.03456	8.4
69.07078	54.8
69.41527	9.9
71.04986	4.3
71.08617	5.4
73.06584	1.2
78.06836	1.2
79.05509	10.4
81.07067	100.0
83.04968	1.6
83.08631	19.4
85.06168	1.4
85.06551	16.4
89.06043	1.9
91.05473	5.3
93.07056	28.4
95.04980	2.7
95.08621	71.0
97.02885	2.9
97.06530	5.5
97.10184	7.4
98.21443	3.0
98.97617	1.3
99.04415	1.9
99.08070	7.2
100.25021	1.1
105.07047	8.2
107.08606	29.9
109.06535	1.6
109.09486	2.0
109.10172	29.3
111.08107	17.6
111.11743	18.3
113.09635	1.5
119.08615	6.0
121.10175	14.5
123.04459	7.7
123.11723	34.9
125.09618	3.6
125.13264	4.4
127.05656	1.3
127.11211	4.2
133.10161	3.1
135.11710	15.6
136.15312	1.3
137.13274	27.3
139.03896	1.9
139.11163	4.6
147.04416	4.9
147.11668	4.3
149.13280	28.9
151.03917	6.2
151.14804	2.6
153.12744	14.7
155.14297	8.6
157.97060	1.2
163.14871	7.4
165.05505	3.8
165.16382	2.2
167.14290	8.1
171.13814	2.2
173.15434	3.1
177.16403	2.7
183.02884	2.2
191.17972	3.2
193.08597	6.4
217.19479	1.7
273.25836	3.0
279.26804	7.1
285.03970	1.5
291.26813	11.1
297.27921	2.4
303.08560	2.1
309.27917	16.5
313.03430	13.2
327.29013	4.0
329.14178	1.5
345.13336	3.0
357.78613	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2427
Annotation	(+/-)-10-HDoHE
Peak:m/z	Relative Intensity
50.55642	1.5
52.01405	1.4
53.03934	4.5
55.01875	2.7
55.05512	12.7
57.07060	4.4
65.03934	1.9
67.05228	1.8
67.05510	18.0
69.03433	2.8
69.07085	7.3
69.07372	1.4
70.00806	3.6
70.01196	2.8
79.05073	2.3
79.05502	33.3
81.07064	100.0
83.04984	3.5
83.08604	3.8
89.28500	1.9
91.05485	17.7
93.07052	45.9
95.04977	4.4
95.08616	40.9
97.06544	17.6
97.10162	1.9
99.08102	3.4
105.07031	38.1
107.04956	3.5
107.08601	47.9
107.30166	1.4
109.06496	7.8
109.10165	21.9
117.07005	8.3
119.08598	26.9
121.06531	18.2
121.10146	23.0
123.08060	7.1
123.11703	14.3
129.07019	6.0
131.08582	23.7
133.10144	18.8
135.08075	15.6
135.11679	12.5
137.09598	4.3
137.13286	10.0
141.06937	2.0
142.07751	2.9
143.08554	11.2
145.10144	27.7
147.08037	5.3
147.11687	18.1
149.09602	11.8
149.13266	27.3
151.14850	1.9
155.08548	6.3
157.10175	10.1
159.11703	18.9
161.09604	6.5
161.13260	10.6
163.11197	9.6
163.14790	5.4
167.10678	2.5
168.09381	2.3
169.10078	7.7
170.10872	1.6
171.11691	13.0
173.09616	4.2
173.13287	10.0
175.11217	3.1
175.14806	4.5
177.12749	4.0
183.11700	4.9
185.13284	8.9
187.11272	2.3
187.14789	14.5
188.94276	1.5
189.12659	2.9
189.16400	4.4
191.14307	2.2
196.12431	2.7
197.13222	5.2
199.14801	3.7
201.12756	3.1
201.16379	7.1
201.48874	1.7
203.14284	3.1
203.17992	1.9
205.15813	3.7
208.78313	1.8
209.11740	2.6
211.14857	7.0
213.16289	1.9
215.14357	7.2
215.17868	1.5
225.16397	4.9
227.18027	10.1
229.15880	6.0
239.17947	2.5
241.19502	4.3
243.20990	5.2
245.18942	2.6
257.22653	5.2
264.05087	1.6
267.21112	15.8
285.22186	28.4
303.23309	12.2
345.24255	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	345.2426
Annotation	20-Acetoxypisiferol
Peak:m/z	Relative Intensity
53.01509	2.1
55.05514	10.2
55.12236	1.8
57.07071	4.2
64.64182	1.7
67.05511	12.1
69.03414	2.7
69.07076	13.3
69.17606	10.3
69.18030	8.0
71.08609	2.2
73.44086	1.7
79.05508	16.8
81.07063	34.0
83.04992	14.1
83.08630	6.7
91.05486	17.2
93.07046	33.3
95.04978	3.6
95.08028	1.3
95.08611	32.1
97.10179	2.1
98.21636	3.0
100.79130	1.8
105.07033	24.6
106.08685	3.7
107.08601	47.7
109.06507	4.5
109.10147	20.8
111.08070	2.3
117.07014	6.5
119.08576	24.0
121.06540	4.6
121.10150	38.1
123.08069	4.5
123.11707	10.2
129.07072	2.1
131.08586	19.4
133.10155	20.0
135.08066	46.9
135.11682	19.0
137.09618	8.0
137.13274	5.0
142.07835	2.2
143.08585	7.3
145.10141	28.0
147.11690	23.2
149.09622	15.9
149.13280	36.4
151.11171	3.0
155.08545	2.4
157.10188	9.3
159.11673	19.5
161.09593	5.5
161.13277	14.1
163.11237	5.4
163.14818	4.7
167.10690	3.8
169.10132	4.7
171.11665	6.5
173.09644	3.6
173.13254	14.6
175.11198	6.4
175.14841	9.4
177.12761	5.4
183.11708	4.2
185.13293	6.5
187.11227	4.7
187.14824	15.6
189.12791	7.9
189.16426	3.2
197.13301	3.2
199.14850	2.7
201.12686	4.6
201.16356	12.7
203.14238	2.7
203.18008	4.2
205.08562	11.0
211.14857	7.7
213.16435	6.5
215.14296	3.7
215.17947	4.1
223.09689	13.8
225.16452	3.7
227.18025	4.3
229.15929	11.4
229.19579	2.8
241.19482	2.4
243.17494	6.6
243.21042	12.5
257.22668	21.2
267.21118	14.6
285.22125	82.6
303.23187	100.0
311.22696	2.1
345.20544	3.6
345.24255	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	345.2424
Annotation	(+/-)-10-HDoHE
Peak:m/z	Relative Intensity
52.32968	4.0
53.03939	7.9
54.22768	3.6
55.05505	26.7
57.07076	5.4
67.05515	29.0
69.07066	17.9
69.39119	33.4
73.96368	4.1
79.05485	47.9
81.03416	4.7
81.07059	100.0
83.08601	6.9
85.06528	5.1
90.13428	4.2
91.05482	35.5
93.07048	67.7
95.08615	62.7
97.10160	6.8
105.07034	68.6
107.08606	41.8
109.10162	40.2
115.05445	6.1
117.07021	14.4
119.08590	61.8
121.06490	5.3
121.10162	42.5
123.08051	16.5
123.11726	10.6
128.06229	13.5
129.07028	19.3
131.08562	36.7
133.10133	54.5
135.08044	7.1
135.11699	15.4
135.84978	4.4
141.07001	11.6
142.07758	16.3
143.08580	45.9
144.09366	4.9
145.10123	60.5
147.08069	6.7
147.11661	25.0
149.13289	7.4
151.11221	4.6
154.07790	8.7
155.08565	56.1
156.09349	13.0
157.10126	32.6
159.08125	7.2
159.11671	43.2
160.08768	4.8
161.09656	6.9
161.13280	15.1
167.08606	6.5
168.09383	8.0
169.10124	67.5
170.10934	11.1
171.11681	36.3
173.09732	4.4
173.13266	32.4
175.11256	7.9
175.14812	10.1
177.12801	10.4
181.10100	5.8
182.10928	12.0
183.11697	39.9
185.13271	33.2
186.14009	4.5
187.14827	19.0
189.12740	5.4
196.12450	7.6
197.13286	42.9
199.14844	17.2
201.12732	4.5
203.14278	4.5
209.13234	4.9
211.14812	60.5
212.15587	14.6
213.16389	11.8
215.14438	5.5
225.16335	14.8
227.17833	5.5
229.15862	15.0
239.18007	7.2
243.21118	6.9
257.22690	5.9
267.21082	81.0
285.22064	42.4
303.23212	5.5
313.68747	4.7
327.23459	5.7
338.53934	5.2
338.72000	5.4
339.40912	4.5
345.20425	7.6
345.24246	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2424
Annotation	(+/-)-10-HDoHE
Peak:m/z	Relative Intensity
53.03951	3.4
55.05516	5.2
55.30640	0.5
57.07065	0.9
65.03944	1.3
66.04716	0.6
67.05506	7.5
69.03435	0.9
69.07082	4.5
70.75618	0.8
70.75961	1.1
79.05497	30.5
81.07058	100.0
83.04991	6.1
83.08620	2.3
91.05480	9.0
93.07046	19.1
95.04947	3.0
95.08608	18.7
97.06534	4.7
97.10167	0.6
99.08067	0.7
103.05468	0.6
105.04504	0.9
105.07037	20.6
107.04990	0.7
107.08598	22.4
109.06528	2.5
109.10159	8.0
111.08088	0.7
112.45760	0.6
116.06214	0.9
117.07040	4.0
119.08585	17.1
121.06496	3.3
121.10149	10.8
123.08090	2.1
123.11732	4.1
125.09647	0.9
128.06262	0.9
129.07034	2.8
130.07785	0.7
131.08582	12.3
133.10123	11.6
135.08052	3.7
135.11696	3.8
137.09642	2.0
137.13289	1.1
141.07001	1.0
141.28256	0.6
142.07796	1.8
143.08559	6.9
144.09288	1.3
145.10138	14.9
145.11293	0.8
147.08084	1.2
147.11702	9.4
149.09673	3.9
149.13266	6.2
151.11186	1.0
155.08575	2.9
156.09351	1.5
157.10139	6.8
159.11702	8.8
161.09630	1.7
161.13248	4.5
163.11192	2.9
163.14850	1.9
167.10710	0.6
168.09425	0.6
169.10197	3.2
171.11755	5.8
173.07762	0.5
173.09663	0.8
173.13274	6.0
175.11200	1.5
175.14836	3.3
177.12814	2.4
177.16402	0.7
181.10155	1.2
182.10924	0.9
183.11703	4.7
185.13252	5.6
187.14807	6.3
189.12840	1.0
189.16409	1.5
191.14485	0.8
197.13295	3.4
199.14812	3.6
201.12787	1.3
201.16377	3.3
203.14317	1.4
205.15921	1.5
211.14804	4.9
213.16451	1.3
215.14381	0.8
215.18019	0.6
217.15828	0.8
224.79105	0.6
225.16394	2.0
227.17938	3.7
229.15921	3.4
239.17969	0.9
241.19537	1.9
243.17545	0.7
243.21030	1.5
255.21106	0.9
257.22656	1.1
267.21094	5.4
285.22156	9.7
303.23111	1.2
345.24292	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	345.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65274	0.6
55.05502	1.0
57.03439	1.2
57.07066	0.8
61.02919	0.8
61.32631	0.6
62.25244	0.7
62.48415	0.7
64.48657	0.8
67.05502	2.4
69.03425	2.4
69.07067	3.7
70.06608	1.1
71.53135	1.2
72.08145	3.1
73.08491	0.9
79.05491	2.7
81.07051	3.1
83.08612	1.3
84.04523	0.9
85.02922	1.9
86.09700	2.7
87.10044	1.3
91.05489	5.1
93.07047	1.7
94.04205	3.0
95.04976	1.9
95.08626	1.4
97.02915	1.7
97.06520	1.7
103.05481	8.4
105.07046	6.4
107.05006	1.6
107.08565	1.6
109.06531	1.0
109.10134	0.8
111.04464	0.8
117.07029	2.4
119.04932	0.8
119.08581	1.6
121.06500	1.6
121.10176	1.5
122.03663	7.7
123.08074	1.4
125.09624	0.9
128.06226	0.8
130.06544	4.6
131.04948	10.1
133.06506	17.8
135.08095	6.6
137.05991	100.0
143.08629	0.7
145.06496	2.5
145.10121	1.2
146.05978	0.9
147.08096	1.9
147.11794	1.0
149.09697	1.0
151.07538	5.0
153.12802	1.8
157.06519	1.3
161.06026	1.3
163.07555	28.0
165.10320	1.6
165.12791	1.4
167.07048	1.2
171.07982	0.8
175.07530	1.8
177.09102	3.4
183.13916	1.3
185.16623	0.8
186.16902	0.7
188.07019	1.4
189.09172	1.1
191.07024	1.5
193.08562	0.8
203.10696	1.2
212.07033	1.8
214.16335	1.4
215.08168	1.4
228.10231	1.1
235.11128	1.1
238.08670	1.7
263.10718	1.3
264.06055	0.9
267.10205	0.9
270.08545	0.9
272.09229	1.6
295.09714	2.8
295.13196	2.0
299.09915	1.3
301.12024	1.1
313.10794	1.3
315.12692	0.8
327.12378	2.6
328.08054	2.0
345.06738	0.9
345.13519	4.5
345.18900	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	345.17
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05621	1.1
55.01879	2.0
56.96557	1.9
67.05497	1.4
69.03421	3.5
69.07059	2.0
70.38611	1.6
71.04985	2.2
71.53661	1.6
79.05482	3.1
81.03442	1.3
81.07056	4.1
83.04951	1.4
85.04884	1.2
85.06576	1.2
91.05466	5.1
93.07032	3.2
94.04180	1.7
94.15701	1.2
95.04931	3.0
95.08630	1.7
97.02878	2.1
97.06575	1.4
100.11237	1.6
103.05457	9.3
105.07061	2.8
107.04942	1.5
107.08568	2.8
109.06519	3.1
117.07016	3.8
119.08588	1.8
121.06534	2.5
122.03643	1.7
123.08031	2.4
127.03868	1.7
130.06500	1.9
131.04948	17.1
133.10107	1.6
135.11676	1.6
137.05988	47.5
137.09572	1.9
143.08510	1.8
145.06493	2.6
146.06015	5.1
147.11702	1.8
149.06030	1.5
151.07559	11.8
162.06734	3.0
163.07545	40.9
165.12747	1.5
169.10127	1.3
171.07965	1.4
174.05518	4.4
175.07574	4.3
177.09122	100.0
183.02826	2.4
183.06509	2.2
185.33531	1.5
195.10181	9.3
203.10669	1.5
221.11655	7.2
239.07001	1.9
239.11279	1.5
299.09180	2.7
299.12735	2.5
313.10510	1.5
327.12909	5.4
345.13242	3.0
345.18967	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31083	0.9
53.46006	0.8
54.63846	0.9
55.01875	2.3
55.05502	1.5
57.03434	1.0
67.05511	1.7
68.87277	0.8
69.03429	2.5
69.07073	3.4
69.90194	0.8
70.03360	0.9
70.06593	1.3
71.04985	1.5
71.53874	1.4
72.08156	3.3
75.33094	0.8
79.05483	2.8
81.07053	4.2
83.08591	1.1
85.02893	1.2
85.06529	1.3
86.09685	3.9
87.10037	1.1
91.05485	5.8
93.07070	2.3
94.04188	3.8
95.04957	2.7
95.08621	2.1
97.02894	1.8
97.06531	1.2
103.05485	9.2
105.07025	6.3
107.04969	2.3
107.08588	2.2
109.06549	2.0
109.10136	1.1
111.04469	0.9
111.08148	0.8
115.05463	1.5
116.87607	0.8
119.04981	1.5
119.08589	1.6
121.06509	3.3
121.10131	1.4
122.03676	10.5
123.08055	1.2
125.09629	1.2
129.07005	0.9
130.06555	6.2
131.04939	12.5
133.06511	18.4
135.08061	8.5
137.05994	100.0
138.06367	1.0
143.08603	1.2
144.02780	1.1
145.06493	4.5
147.08025	1.6
147.11659	1.7
149.05968	1.0
149.09601	1.0
151.07513	5.2
157.06535	1.5
163.07567	35.5
164.01717	1.3
165.12851	1.7
167.07083	1.3
175.07623	2.4
177.09128	3.4
183.02882	1.1
184.07585	1.3
185.16542	1.1
189.09123	1.6
191.07063	1.8
203.10651	1.7
204.12209	1.3
212.18117	0.9
214.16238	1.0
235.11304	0.9
243.23344	0.9
253.08664	1.1
255.28047	0.9
267.10248	1.2
272.09286	2.2
279.33954	1.0
295.09695	2.6
295.13327	4.0
299.10098	2.0
313.10703	2.9
314.89822	0.9
327.12399	2.2
327.16040	1.1
345.13403	5.3
345.18765	13.6
345.24945	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1337
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.03941	1.2
55.01869	2.2
55.05520	5.0
57.03433	1.4
57.07077	2.1
59.04995	1.5
59.60144	1.0
65.03957	4.4
67.05515	6.5
68.99792	2.0
69.03428	3.5
69.07079	11.3
69.55927	4.8
70.06578	1.1
71.04990	0.8
71.08615	1.0
79.05497	3.5
79.98842	0.9
81.07066	20.8
83.08622	3.6
85.02903	2.6
85.06542	2.6
91.05479	2.6
93.03422	2.2
93.07034	6.3
95.04997	1.3
95.08615	15.4
96.02103	3.8
97.06521	2.1
97.10183	2.7
103.05492	0.8
105.07021	2.8
107.01340	1.7
107.08609	6.4
109.02879	0.9
109.06539	1.0
109.10180	7.2
111.04450	17.5
111.08068	1.7
111.11700	3.5
115.05442	1.1
116.06188	0.9
117.07025	1.0
119.08572	2.6
121.06538	0.9
121.10150	3.4
123.04436	2.8
123.11749	5.8
129.06970	2.3
135.11691	4.1
137.02345	1.9
137.06015	1.5
137.13271	4.2
139.03914	10.5
139.11208	0.9
144.05687	1.7
145.06464	3.7
147.11691	2.3
149.13286	4.3
151.04015	1.0
152.06201	1.0
153.01833	2.7
153.05502	1.2
153.06961	2.1
153.12781	2.1
155.08650	1.3
157.06470	3.2
159.04373	1.1
159.08058	4.5
160.08855	3.8
161.02446	1.4
161.06039	4.7
161.09660	1.6
163.14923	1.3
165.05489	1.0
165.06981	2.2
165.12791	0.9
166.13092	1.0
167.03398	4.2
167.08539	1.9
167.14323	1.5
167.92755	0.8
168.05751	2.9
169.06467	3.2
170.07401	1.0
173.05916	1.4
178.07771	2.3
179.08565	3.2
181.06476	3.8
182.07320	2.2
183.02936	1.7
183.04445	1.4
183.08098	2.0
184.05392	1.1
185.05968	3.2
185.09644	1.8
187.07587	3.2
188.08313	6.0
189.09137	2.5
190.39603	1.0
193.06340	0.9
195.08127	4.6
196.05194	3.1
196.08798	2.9
197.05971	3.5
197.09636	2.2
198.06775	12.0
199.07578	2.4
200.08275	1.5
205.01372	1.1
206.07271	2.6
206.09375	1.1
207.08072	5.4
207.09848	1.1
209.05966	2.9
210.06738	2.6
211.04015	1.2
211.07590	6.3
211.11197	3.7
212.08287	1.3
213.05438	6.7
213.09142	2.8
215.07164	1.2
215.10672	1.0
217.19551	1.9
221.09663	3.5
223.02376	1.5
223.07539	4.1
224.04730	1.5
224.08351	5.0
225.05542	1.6
225.09088	2.5
226.06274	4.2
227.07062	3.6
228.07874	3.0
228.11461	1.0
229.05028	2.5
234.06847	1.6
235.07545	3.5
236.08333	1.7
237.05661	1.8
237.09058	1.5
238.06367	1.5
238.09909	7.3
239.03415	3.1
239.07082	15.7
239.10695	10.6
240.07866	6.9
241.04977	3.7
241.08659	6.8
243.06532	8.1
243.10345	1.2
249.09065	2.5
251.06981	2.4
252.04329	1.7
252.07881	3.2
253.05096	1.5
253.08617	7.8
253.12273	3.8
255.06569	3.6
256.07312	12.3
256.10995	2.4
258.08890	1.8
263.07166	1.3
266.09366	1.6
267.06628	3.2
267.10165	20.9
268.07352	14.7
268.10568	1.8
269.08115	21.2
270.09045	1.2
271.09650	3.5
271.13281	6.0
279.26895	1.4
281.08072	2.7
281.11743	3.5
284.03433	1.6
284.06836	2.8
284.10431	7.4
285.03882	5.4
285.11032	1.8
286.08459	4.4
291.26938	1.6
295.09631	5.7
296.10406	8.0
299.09152	69.2
299.12796	14.7
300.09598	1.0
309.11060	1.3
309.24286	1.2
309.27924	2.2
312.10034	1.8
313.03455	100.0
313.10648	12.2
314.03674	2.3
317.13892	1.4
327.12299	61.3
327.25290	2.1
345.06171	4.8
345.13342	49.0
345.20438	2.1
345.26477	3.5
346.13626	1.4
366.60852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01855	0.9
56.96305	1.3
56.96569	17.5
57.03429	1.4
61.02917	2.5
67.05507	1.2
68.99805	1.7
69.03426	6.7
69.36749	0.8
69.53406	5.3
73.02911	1.9
75.05145	0.7
81.03415	2.3
82.06554	1.4
84.96026	2.6
85.02910	10.4
87.04479	2.3
89.03911	1.1
91.05480	5.6
92.04984	1.3
94.06555	1.3
95.04964	1.1
97.02893	4.1
98.20771	1.6
98.97593	15.0
99.04433	1.5
107.04971	1.5
109.02878	1.3
110.86260	0.8
110.97589	1.1
116.98616	4.4
117.03412	1.1
119.05006	5.9
119.06078	20.8
120.04511	4.4
120.05216	0.9
120.24221	0.7
121.02858	1.6
122.05992	1.1
123.04446	1.8
124.99107	1.6
127.03920	6.8
128.98579	1.0
133.02808	1.1
134.99707	1.6
135.04541	1.7
137.05989	2.2
137.07098	6.4
139.03914	18.4
140.04250	1.1
140.07097	4.3
140.08063	1.0
143.00159	3.4
145.01747	1.0
145.02863	1.0
147.04408	19.8
147.05557	6.6
148.03865	3.9
148.06325	27.3
149.05984	1.7
149.07112	21.3
151.03897	2.2
153.01808	1.9
158.99675	2.1
161.01221	3.0
163.03946	9.1
164.04283	1.6
164.05762	1.0
165.06616	94.9
166.07423	5.0
167.00169	1.0
170.99605	1.7
172.94347	1.0
174.99023	0.9
177.00723	2.2
179.00163	1.2
183.06322	2.3
183.07675	51.2
183.11304	2.8
185.01213	1.0
186.99171	1.4
187.02747	1.1
189.00768	3.8
194.99686	1.6
197.01202	1.5
201.00734	1.4
207.01715	4.4
211.02689	0.8
213.00764	3.6
213.04259	0.8
219.01787	2.7
222.99384	0.7
225.00729	1.0
231.01784	3.6
234.05530	0.9
237.00635	0.9
237.02696	1.1
239.05954	1.0
243.01799	2.5
249.02821	1.9
250.03239	3.0
253.00252	2.6
257.04572	3.9
259.03424	1.1
261.02927	0.7
262.03171	0.8
269.04361	1.0
325.04581	1.0
332.94141	0.9
343.01129	0.9
345.12943	100.0
346.13715	1.4
361.02435	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.5
55.05502	6.4
57.03439	8.6
57.07061	1.9
67.05514	20.9
69.03429	2.4
69.07070	30.0
71.05002	9.4
72.16268	2.1
73.02917	4.0
79.05497	25.9
81.03430	15.6
81.07057	23.7
83.04993	5.0
83.08627	5.5
85.06548	2.3
89.06056	2.1
91.05500	14.8
93.07066	17.8
95.04977	19.1
95.08612	15.6
97.02911	1.9
97.06541	100.0
98.56174	2.4
99.08082	4.0
104.74010	2.2
105.07043	11.7
107.04967	3.9
107.08585	11.5
109.06536	6.5
109.10172	7.5
111.08132	2.7
113.06004	2.9
115.07567	21.2
117.07044	8.0
119.08585	7.4
121.06502	2.2
121.10143	5.6
126.97741	2.3
129.07048	5.0
131.08571	9.2
133.10149	9.7
135.08075	4.1
135.11726	3.8
143.08528	2.3
145.10170	6.1
149.09613	2.2
151.11198	2.5
159.11732	6.6
161.13292	2.2
177.12741	7.1
195.13814	6.1
223.13242	3.3
291.19553	4.4
344.25867	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	344.2224
Annotation	Polysignine
Peak:m/z	Relative Intensity
51.64184	0.5
55.05504	0.7
56.11472	0.4
56.82572	0.4
64.71931	0.4
67.05479	1.2
69.07046	1.5
69.75024	2.2
79.05498	4.9
80.04984	0.6
80.27234	0.5
80.75378	0.4
81.07045	1.8
82.07359	0.5
83.08620	0.8
89.05990	0.5
91.05484	3.7
93.05794	0.5
93.07052	3.3
94.06564	0.7
95.04946	0.5
95.08591	1.7
98.97669	0.5
103.04810	0.6
103.05472	10.1
103.20189	0.4
105.07039	2.9
107.04967	5.9
107.08616	2.8
108.08130	15.2
109.08896	1.1
109.10117	1.0
110.09660	1.2
117.06928	0.6
119.08574	1.0
120.08118	3.4
122.09671	9.7
123.10456	2.0
123.11693	0.5
127.41176	0.5
130.06526	3.1
131.04948	4.7
132.08095	2.5
133.10121	0.9
134.09625	0.7
135.11696	2.6
136.11205	3.7
137.06111	0.5
137.13257	0.6
149.05989	0.7
150.12790	23.9
151.13579	8.5
152.10631	0.4
152.14368	4.6
161.13289	0.7
166.12303	0.6
170.09674	0.6
180.10211	4.1
193.59813	0.4
200.14381	1.2
209.14075	0.5
212.14368	0.7
226.15897	1.1
228.10188	1.9
230.11671	0.5
246.11282	0.8
246.15004	1.0
254.19099	4.4
256.13229	0.9
270.14935	2.1
298.18033	1.1
300.19598	100.0
301.19962	2.0
302.21243	3.2
336.79651	0.5
344.22226	78.3
345.22430	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30487	0.8
54.06090	0.8
57.03425	0.9
60.04530	1.6
61.02929	1.6
69.03437	3.0
69.43096	5.5
70.06587	2.8
81.03423	2.4
81.07030	0.9
82.06583	1.0
85.02916	14.2
86.09724	0.7
88.31997	0.7
89.06039	0.7
91.05470	1.3
94.59724	0.7
97.02900	3.6
100.07563	0.9
107.04966	100.0
108.05275	0.9
109.02901	1.3
116.30531	0.7
119.08454	1.0
127.03915	2.2
145.04968	3.3
147.04433	5.4
147.08061	2.4
149.05971	0.8
153.00166	0.7
165.05486	1.9
165.09128	25.7
175.03906	1.4
176.04262	2.4
180.08656	3.9
182.11821	2.4
202.15195	0.8
256.56476	0.7
291.27737	0.7
298.19235	0.8
326.23480	1.3
344.08575	4.1
344.16977	2.5
344.24316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
53.81655	0.6
55.27451	0.6
57.03428	0.9
61.02921	1.8
69.03416	3.0
70.69363	0.9
70.69698	1.7
76.77438	0.7
80.34090	0.7
85.02911	17.1
91.05521	3.5
97.02892	3.0
98.21467	0.7
98.98050	0.7
109.02917	1.6
119.04948	15.2
121.69016	0.8
123.04436	1.6
127.03960	4.2
145.04955	3.9
147.04414	100.0
148.04681	0.8
149.05983	0.7
165.05482	61.7
170.89626	0.7
180.08694	1.1
221.52156	0.7
344.13559	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96707	0.7
53.03950	1.6
53.82061	0.8
55.01876	1.5
55.05507	1.5
56.96569	44.8
57.03437	4.5
60.04528	4.8
61.01152	3.3
61.02932	7.8
63.07157	0.8
65.03911	1.1
67.05504	1.7
68.99786	1.0
69.03436	8.9
69.16380	3.2
69.16803	5.6
70.06609	2.6
70.98123	2.8
70.99859	0.9
71.04996	1.9
71.95272	2.5
72.08163	0.8
73.02927	3.4
74.06062	1.1
74.97619	1.1
75.46874	0.9
79.05498	1.2
81.03426	2.8
81.07074	1.7
82.06586	3.8
83.04984	2.9
84.96053	5.6
85.02913	16.0
86.09706	1.3
87.04477	3.4
88.04042	0.8
88.99178	1.1
91.03967	1.1
91.05493	4.0
95.04999	2.1
97.02905	8.7
98.06075	1.4
98.97592	100.0
99.04472	1.3
100.07617	6.5
100.99159	17.1
101.00885	3.5
102.96983	1.1
103.00663	0.9
103.02169	1.4
106.05053	6.4
109.02889	3.4
110.01271	1.3
110.97584	7.1
111.04453	2.9
112.00785	0.9
112.99155	1.4
115.03946	2.8
116.07107	3.6
116.98635	36.6
119.00207	4.9
119.01924	7.4
119.04964	4.8
123.04452	1.9
124.95521	1.6
124.99154	3.2
127.00729	1.7
127.03940	8.1
128.02286	1.3
128.98610	7.4
131.00226	2.3
131.01913	2.4
132.99651	0.8
133.01643	0.9
134.99669	7.3
135.04436	1.1
136.07602	1.2
139.00719	0.9
139.03915	31.9
140.00220	1.9
140.04262	2.1
140.98590	1.3
142.96524	1.6
143.00168	30.1
143.01900	1.7
143.05418	1.0
144.98106	2.6
144.99915	1.0
145.01691	2.3
145.03481	3.4
145.04991	3.4
146.99666	7.1
147.03275	1.5
147.04407	15.6
148.04778	1.5
149.01248	1.4
152.98619	1.0
156.03357	1.1
158.99675	5.9
159.05052	1.2
161.01233	26.7
162.99199	2.2
163.03867	4.4
164.07103	1.1
165.00746	16.0
168.03287	1.2
170.99638	6.3
171.05032	1.7
173.01260	3.0
173.02884	1.8
174.99179	3.5
177.00694	3.2
177.02306	1.3
179.02419	2.0
182.03485	1.5
182.04987	3.2
182.06573	1.8
182.99753	1.6
183.01799	6.1
184.02869	2.4
185.01215	1.4
186.04419	1.7
186.06146	1.4
187.02818	2.2
187.04376	1.0
188.05975	1.3
188.07677	1.2
188.97137	2.1
189.00711	25.0
189.04408	1.0
191.04013	1.9
193.00208	3.2
194.00783	1.0
201.00734	3.5
202.03905	3.1
203.02269	1.5
204.05484	1.3
205.00229	1.9
207.01784	81.5
213.00768	2.3
213.03593	1.0
213.06134	1.2
214.03928	3.3
218.03421	1.3
219.01741	5.6
220.04990	6.6
223.09673	1.7
225.02831	13.5
226.02405	2.5
230.03464	5.7
231.01782	6.3
232.04977	3.1
232.99724	2.5
237.00728	1.1
237.02855	2.8
238.06013	1.9
243.01765	2.3
245.05080	1.3
247.05043	1.5
249.02901	3.5
254.05241	2.9
255.01753	1.9
257.08774	1.0
258.02927	1.2
260.05466	2.3
261.02802	9.2
261.05289	1.0
263.05771	4.3
273.02896	1.9
274.02121	1.1
279.03876	3.3
282.06534	3.2
284.03162	2.2
284.06076	2.1
291.04016	1.7
300.07474	3.4
303.03848	10.8
303.09244	1.3
305.06564	0.9
321.01511	1.7
321.04889	12.4
321.10443	1.7
333.05078	1.5
344.02863	1.6
344.06610	3.9
362.03653	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	18.1
57.03421	3.1
57.07069	6.5
59.04986	11.7
64.04784	3.0
67.05509	24.6
69.07066	43.8
70.79842	7.0
73.81464	3.7
79.05486	13.5
81.06593	5.8
81.07061	100.0
83.04971	3.6
83.08624	16.2
85.02889	6.7
85.06553	7.5
91.05466	13.2
93.07044	30.1
95.04996	3.1
95.08607	64.0
97.06546	5.1
97.10171	7.6
98.09657	3.3
99.08052	3.9
105.07023	12.4
107.08601	28.0
109.06440	3.5
109.10171	38.2
111.11703	11.6
119.08558	15.7
119.16954	3.3
119.65198	3.4
121.10149	25.2
123.11718	29.6
125.13276	4.4
131.08524	6.1
133.10114	8.4
135.11674	16.4
137.05962	10.7
137.09689	4.6
137.13239	18.6
139.03926	7.6
139.11185	5.3
145.10136	6.7
147.11681	16.3
149.13271	15.6
157.10162	4.6
159.11707	5.8
161.13287	5.5
163.14839	5.4
165.12784	6.0
175.14900	4.0
179.14360	4.0
219.20906	3.7
244.41574	3.5
247.24181	3.5
271.24203	4.5
277.25369	4.1
283.20590	3.7
289.25259	11.0
297.16956	4.0
307.26224	15.2
325.16180	5.9
343.19073	4.1
343.22690	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	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56344	2.1
55.05515	21.3
57.03427	3.2
57.07070	8.0
57.87049	2.1
67.05511	19.2
69.03422	3.6
69.07075	100.0
69.79415	2.0
71.08642	2.6
71.53316	3.4
71.53675	2.4
73.06577	3.5
79.05492	10.4
81.07059	65.8
83.08607	10.9
85.06546	8.6
91.05486	4.4
93.07049	21.1
93.59407	2.4
95.05001	5.5
95.08618	43.0
97.06541	5.0
97.10154	3.7
99.08088	6.4
101.06024	4.4
105.07038	11.7
107.08599	11.5
109.10162	23.6
109.37908	2.5
111.08096	3.5
111.11736	29.6
115.07576	2.4
119.08562	8.0
121.10155	11.9
121.49978	2.1
123.11739	23.7
133.10132	5.0
135.11711	8.0
137.13243	9.7
139.03906	3.6
139.11185	22.4
143.23042	2.5
147.11719	7.1
149.13304	5.2
151.11191	3.6
151.14880	3.4
153.12718	4.7
155.14308	3.2
157.12227	3.2
159.11678	4.0
161.13264	4.3
162.50607	2.5
163.11147	6.9
165.12776	6.0
167.14397	3.5
179.14258	3.4
256.54910	2.4
289.25183	6.3
295.26288	11.2
307.26294	25.6
325.27362	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	343.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01854	2.0
55.05507	25.1
57.07061	7.4
64.21101	1.9
67.05509	33.8
69.03408	3.7
69.06738	3.2
69.07071	37.8
69.54385	11.7
71.04973	3.5
71.08611	3.6
79.05487	20.3
81.07057	100.0
82.59104	1.7
83.04970	2.6
83.08626	13.3
85.02899	3.9
85.06528	5.6
91.05476	18.8
93.06479	3.0
93.07040	37.6
95.04951	9.7
95.08609	74.5
97.06504	8.7
97.10188	11.0
99.08067	7.0
103.41599	1.9
105.07030	23.6
107.08589	24.6
109.06550	5.0
109.10158	45.4
111.08090	5.6
111.11722	4.4
113.05991	2.2
113.09718	2.2
115.07589	2.0
119.08579	18.5
121.06435	1.8
121.10142	21.9
123.08078	5.1
123.11715	28.4
125.09620	2.7
131.08559	2.9
133.10103	7.2
135.11726	12.4
137.06009	3.5
137.09607	2.5
137.13226	11.6
139.03867	5.4
139.11194	5.0
145.10107	7.7
147.11685	28.9
149.13254	7.3
151.11180	3.7
151.14835	11.5
153.12743	5.7
155.10626	3.2
157.10104	2.9
159.11664	4.1
160.44524	1.9
161.13240	6.3
163.11143	7.9
163.14854	4.0
165.12743	23.7
165.16525	3.7
173.13303	3.5
175.07527	2.2
175.11157	3.2
175.14813	2.1
177.12784	2.8
179.14281	3.4
180.06671	2.1
181.12288	3.9
183.13828	2.2
189.16473	2.7
191.17928	2.0
203.94154	1.9
209.19058	2.2
212.09038	1.9
229.14229	3.9
237.18442	2.3
251.19894	2.2
269.09241	2.3
271.24188	3.0
283.10916	2.7
289.25256	6.8
297.17093	6.5
300.19571	2.4
304.27896	1.9
307.26172	10.3
325.16501	12.0
325.27292	4.8
343.12180	5.4
343.22412	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	343.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	5.0
55.01853	2.7
55.05515	20.2
57.07063	7.1
59.04993	3.9
67.05510	28.7
69.03415	5.0
69.07070	43.6
69.88016	12.0
69.92419	2.6
71.04974	8.1
71.08612	5.1
79.05499	22.2
81.07059	100.0
83.04974	6.4
83.08624	17.2
85.02906	4.0
85.06537	5.9
91.05481	18.7
93.07043	70.0
95.04993	17.2
95.08612	75.1
97.06520	10.6
97.10189	5.3
98.97608	3.5
99.08057	3.4
105.07064	21.4
107.08603	52.3
108.23319	2.4
109.06544	6.9
109.10159	50.0
111.08045	12.1
111.11694	4.7
115.07579	3.5
117.07002	4.2
119.08594	20.7
121.10157	30.4
123.08055	5.3
123.11710	31.9
124.73003	3.3
125.09620	5.5
131.08592	6.0
133.10117	17.1
135.11702	25.9
137.09627	6.1
137.13252	15.3
139.11160	8.0
139.99844	2.8
145.10121	14.5
147.11713	9.4
149.13255	16.9
151.11189	6.7
151.14857	3.3
153.12746	7.9
155.10803	3.3
159.11729	6.6
161.13260	7.4
163.11171	10.7
163.14822	5.8
169.12288	3.2
175.14824	4.3
177.16365	3.6
181.12285	8.1
203.17862	3.4
215.17914	4.2
266.60013	4.9
271.24289	4.1
274.61450	3.0
287.12888	3.8
289.25317	7.6
295.26245	3.3
307.26315	8.2
325.27396	3.5
343.11905	4.4
343.22760	4.2
369.74548	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	343.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.9
55.05514	16.6
57.07081	11.9
59.04974	2.5
61.99572	1.9
62.40359	2.0
63.54730	2.3
65.84330	2.2
67.05506	22.0
69.03419	8.2
69.07072	78.5
71.05001	3.5
71.08609	3.4
71.53674	2.7
71.54054	3.5
73.06560	2.2
79.05487	18.6
81.03408	2.2
81.07059	100.0
83.04971	4.4
83.08622	15.2
85.02895	4.6
85.06544	14.8
91.05481	10.6
92.82693	2.2
93.07050	36.7
95.04954	10.3
95.08611	59.5
97.06512	9.2
97.10165	4.5
99.08110	11.8
101.06016	5.7
105.07042	16.2
107.04953	2.4
107.08600	28.7
109.06477	4.7
109.10157	34.4
111.08089	16.7
111.11724	18.3
117.07006	4.0
119.08595	10.9
121.10149	22.6
123.04473	2.0
123.08076	4.3
123.11707	47.0
125.09609	3.8
127.11191	9.4
129.06966	3.4
129.12738	2.4
131.08536	3.7
133.10120	8.3
134.26807	2.4
135.11681	17.6
137.09612	3.0
137.13283	12.2
139.03897	14.3
139.11215	10.6
145.10129	6.4
147.11697	10.5
149.09566	2.2
149.13234	8.3
150.31044	2.1
151.11211	2.9
151.14795	3.2
153.12755	18.6
155.14320	2.3
157.06479	2.6
157.10030	2.4
157.12219	2.6
159.11679	7.6
161.05913	2.8
161.13255	5.0
163.03941	3.4
163.11189	6.2
163.14833	2.7
165.12741	8.4
171.13933	2.7
175.07556	6.6
175.14877	4.2
181.08661	3.2
181.12218	3.6
187.14853	2.3
189.09131	5.4
189.16425	2.7
196.09511	2.8
226.71971	2.3
237.18407	3.5
271.24057	2.7
277.25256	4.8
283.20602	2.9
289.25275	10.5
295.26288	8.9
307.26239	35.3
317.04333	2.4
325.27258	8.4
343.11658	8.5
343.16208	15.9
343.22537	6.2
343.26398	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03933	2.5
53.25348	2.1
54.82438	2.1
55.01871	4.5
55.05516	12.4
57.03442	3.1
57.07073	7.5
59.05010	2.8
65.03955	2.3
67.05506	22.5
69.03423	9.9
69.07067	9.3
69.13319	2.0
71.04990	18.9
79.05492	22.7
81.07057	33.1
83.04974	4.9
83.08598	3.8
85.06526	3.7
91.05486	25.1
93.07047	57.8
95.04971	45.5
95.08613	63.7
97.06545	13.5
98.20724	4.7
103.05495	2.7
103.78046	2.4
105.07037	56.8
107.04932	2.9
107.08582	41.5
109.06556	11.4
109.10173	6.1
115.05451	5.6
117.07025	26.8
119.06076	2.1
119.08601	21.8
121.06506	9.7
121.10112	14.5
123.08088	21.2
128.06207	4.0
129.01707	2.0
129.06990	7.0
130.07805	9.8
131.08533	11.1
133.06474	5.5
133.10144	15.8
135.08040	17.3
135.11687	16.1
137.05981	3.8
137.09592	4.3
137.48726	2.4
143.08582	16.2
145.10130	71.9
147.08049	13.2
147.11707	8.6
149.09610	7.3
151.07542	31.5
153.09044	2.8
155.08533	4.2
156.09378	3.7
157.10123	7.8
159.08037	2.9
159.11700	12.7
161.09663	6.1
161.13260	5.1
163.07613	2.2
163.11189	48.7
165.09160	13.5
167.08569	5.4
169.10178	6.7
170.10890	3.1
171.11661	5.3
173.13274	3.2
175.11143	3.8
177.09181	3.4
179.07068	5.1
181.10135	2.5
183.11720	4.4
185.13254	4.4
187.11220	6.1
187.14870	4.2
189.12766	6.3
191.10692	4.0
191.14352	2.8
193.10240	2.9
197.13257	4.9
199.14894	4.9
201.12804	4.2
203.14325	6.3
207.13794	3.3
209.13268	5.4
209.15259	4.3
211.14751	3.8
221.15407	20.3
223.14809	2.6
227.14218	3.4
240.23248	13.2
263.16464	6.6
269.15338	3.4
274.19196	3.3
283.20547	8.8
286.19507	3.7
325.21481	12.1
343.22690	100.0
343.26245	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	343.2267
Annotation	Longithorol D
Peak:m/z	Relative Intensity
51.23332	1.5
53.03943	3.4
55.05504	4.9
55.95160	1.3
63.09717	1.5
65.03941	2.5
67.05502	7.5
67.06059	1.4
69.07068	3.2
69.99450	5.3
69.99860	2.8
71.05003	2.4
79.05494	36.3
80.00133	1.4
81.07059	92.8
83.05013	4.1
91.05473	14.8
93.07044	20.8
93.76497	1.3
95.04978	20.0
95.08606	15.9
97.06521	4.3
99.04458	2.5
105.07033	27.5
107.08596	23.0
109.06554	3.9
109.10146	5.2
117.07018	5.8
119.07811	2.0
119.08595	22.1
121.06532	3.3
121.10130	9.4
123.08078	4.6
128.06248	2.9
129.07008	5.3
131.08578	13.7
133.10138	14.7
135.08086	3.8
135.11722	3.8
142.07791	3.5
143.08588	9.4
145.10126	17.0
147.08070	5.4
147.11716	11.4
149.09621	3.6
149.13239	4.7
151.11192	1.9
155.08490	3.2
157.10110	9.7
159.07964	2.8
159.11678	11.4
161.09648	3.0
161.13277	8.9
165.09108	2.5
169.10146	4.4
171.11729	7.5
173.13300	7.0
175.11185	2.7
175.14731	2.1
181.10114	3.5
183.11684	5.1
185.13321	8.5
187.14845	5.5
189.12839	2.3
195.11591	1.9
199.14867	8.3
201.12746	2.6
203.14322	3.5
209.13245	2.6
213.16304	1.7
227.14281	4.1
241.19566	4.3
255.21066	2.9
265.19547	2.8
283.20560	35.8
301.21603	8.7
306.21143	1.6
343.22690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.7
55.05512	34.5
57.07076	6.2
67.05502	17.4
67.76966	4.4
69.07059	11.6
69.85444	22.0
79.05527	25.3
81.07063	41.2
83.04985	4.6
91.05490	39.2
92.06485	4.0
93.07052	51.0
95.04964	4.8
95.08607	25.9
97.06544	41.8
99.08105	48.8
105.07040	68.4
107.08598	39.4
109.06500	8.7
109.10166	12.4
117.07002	9.8
119.08604	50.4
121.06509	13.0
121.10165	17.3
128.06230	21.8
129.06978	27.1
131.08591	66.4
133.10133	27.0
135.08084	7.5
135.11717	5.0
141.06958	8.7
142.07832	15.3
143.08574	100.0
145.10130	49.5
147.08113	6.5
147.11684	21.6
149.09630	7.2
155.08572	32.2
156.09413	9.0
157.10139	53.6
158.10947	4.6
159.08052	6.3
159.11711	22.7
161.09674	6.1
161.13275	13.6
165.07077	5.3
167.08611	17.5
168.09373	12.2
169.10159	28.0
170.10927	10.7
171.11664	23.1
173.09601	5.6
173.13271	11.8
179.08583	13.0
180.09375	7.2
181.10124	25.9
182.10904	10.4
183.11696	49.6
185.09679	5.7
185.13246	55.8
187.14783	11.2
189.12747	4.9
190.95604	4.2
193.10184	11.4
194.11021	14.5
195.11682	20.6
197.13283	27.1
199.11156	6.2
199.14854	41.5
201.12698	9.4
209.13229	33.2
210.14090	7.2
211.14824	16.8
213.16437	16.1
223.14891	12.2
225.16389	54.6
227.14342	30.9
228.15134	6.0
229.16014	7.5
239.17900	6.3
241.15900	10.3
241.19524	10.8
255.21165	9.1
265.19553	45.4
283.20563	80.7
284.31433	4.6
301.21732	12.7
343.22729	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03946	4.3
55.01873	1.1
55.05515	7.3
57.07074	1.1
65.03934	1.8
67.05513	7.2
69.03416	2.0
69.07071	9.3
69.56435	2.1
69.56850	4.3
70.52690	1.0
78.29074	0.9
79.05497	28.7
81.07060	100.0
83.04992	2.4
83.08601	2.0
83.09077	0.8
91.05489	10.8
92.17545	0.8
93.07056	17.9
95.04989	5.5
95.08607	14.3
97.06532	10.5
97.91034	0.8
99.04444	1.2
99.08100	1.4
103.05446	1.2
105.07042	24.9
107.08605	15.0
109.06512	4.8
109.10149	6.4
111.08067	1.6
114.88535	0.8
116.06259	1.0
117.07026	5.6
119.08590	19.1
121.06498	3.6
121.10155	8.1
123.08070	2.6
123.11732	1.8
127.07487	1.0
128.06201	3.7
129.06992	6.8
130.07773	1.6
131.08554	15.5
133.06456	1.1
133.10135	11.9
135.08055	4.0
135.11705	3.3
137.09601	1.6
141.06982	1.6
142.07793	4.1
143.08568	20.6
144.09331	2.6
145.06502	1.3
145.10136	20.8
146.07216	1.0
147.08031	5.5
147.11687	9.6
149.09634	2.9
149.13235	1.1
154.07654	0.9
155.08522	4.2
156.09299	4.1
157.10129	18.1
158.07343	1.2
158.10905	1.9
159.08089	5.2
159.11702	15.5
160.12474	2.7
161.09622	5.0
161.13266	4.8
162.18167	0.9
163.11182	1.8
165.07001	1.8
167.08571	2.3
168.09352	2.5
169.10159	6.6
170.10857	2.0
171.08041	1.6
171.11682	13.0
173.09637	4.1
173.13286	10.1
175.11169	4.4
175.14845	2.3
179.08604	1.9
181.10210	4.2
183.11722	7.8
185.09662	3.1
185.13237	18.3
186.14021	1.0
187.11180	3.0
187.14838	6.1
189.12677	4.5
194.10953	1.8
195.11707	4.7
196.12433	1.3
197.13301	5.6
199.11130	3.2
199.14816	13.9
201.12782	5.1
201.16435	4.7
203.14326	4.0
209.13318	6.3
210.14140	1.6
211.14870	3.0
212.58026	0.8
213.12791	3.9
213.16408	3.5
215.14354	2.5
219.13927	1.0
223.14839	2.8
225.16380	5.3
227.14363	6.4
227.18024	1.2
239.17921	2.3
240.23259	2.8
241.15797	1.7
241.19536	9.4
255.21123	6.2
262.15652	3.3
265.19589	8.0
271.20502	1.5
283.17419	1.3
283.20581	30.1
285.18594	2.4
301.21573	7.2
325.21869	2.4
343.22690	43.7
344.23019	1.1
354.48401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.12201	1.3
53.03934	4.6
53.82088	1.3
55.01870	2.4
55.05513	15.0
56.96533	1.4
57.03441	6.3
57.07079	7.0
59.04992	4.2
63.54409	1.4
65.03951	1.3
67.05511	22.7
69.03435	8.6
69.07079	6.2
69.26871	3.6
69.27286	8.0
70.38390	1.2
71.04998	16.5
79.05496	19.3
81.03408	3.1
81.07063	28.0
83.04986	5.2
83.08614	2.7
85.06536	3.4
90.49295	1.2
91.05487	28.1
93.07050	57.1
95.04974	44.6
95.08612	63.7
97.06530	15.8
103.05488	2.5
105.07037	65.4
107.04955	3.2
107.08595	42.9
108.05695	1.3
109.06525	14.6
109.10145	6.3
111.08080	2.3
113.09700	1.4
115.05449	6.8
117.07014	24.1
119.08588	25.2
121.06512	15.2
121.10129	14.8
123.08085	21.2
123.11711	1.2
125.05975	3.0
125.09638	2.0
126.58944	1.3
128.06195	3.7
129.06969	6.6
130.07787	13.6
131.08551	11.7
133.06493	5.3
133.10144	15.4
135.08078	19.2
135.11707	12.6
137.09610	4.6
141.07018	2.0
142.07770	4.3
143.08563	12.3
145.06488	2.3
145.10132	64.5
147.08043	10.7
147.11682	8.4
149.09621	6.0
151.07555	32.3
153.09129	2.8
155.08525	3.7
156.09389	2.7
157.10129	9.6
159.08064	3.8
159.11708	9.3
161.09659	8.6
161.13235	5.2
163.07468	1.5
163.11186	46.6
165.09132	14.8
167.08554	2.9
169.10152	4.5
171.11694	9.3
173.09633	4.9
173.13234	3.2
175.11209	6.1
175.14809	1.7
177.09134	2.5
179.06999	1.9
181.10167	2.9
181.12201	3.7
182.11066	1.3
183.11682	4.8
185.13263	3.7
187.11201	5.8
187.14821	2.1
189.09024	1.7
189.12787	8.1
190.22072	1.4
191.14339	3.1
194.11015	1.6
195.11688	4.0
197.13307	2.7
199.14900	2.1
201.12718	1.9
203.14435	7.5
207.10135	1.8
207.11980	2.1
207.13846	5.9
209.13332	3.0
209.15375	4.9
209.56575	1.3
211.11179	2.6
211.14813	2.1
213.12828	1.4
213.16409	1.4
214.49850	1.4
215.14435	4.0
217.12262	1.4
221.09305	1.3
221.13397	2.2
221.15396	28.0
223.14838	3.2
225.12761	2.0
225.16458	2.8
231.13773	1.6
233.15411	3.4
240.23271	4.8
241.15903	2.9
243.13979	2.3
245.15350	1.5
249.16591	1.5
263.16489	5.3
265.19516	1.7
267.17508	2.0
269.15292	2.8
273.09872	2.9
283.20453	4.7
286.19321	2.7
287.16678	1.8
287.19916	1.6
307.20502	2.2
325.21558	8.3
343.22699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01873	3.9
55.05518	16.4
56.51674	1.4
57.03432	5.0
57.07085	2.2
57.22601	1.7
61.02925	1.9
67.05186	2.7
67.05512	28.2
69.03420	6.1
69.07072	24.1
71.04984	6.6
71.53543	2.1
72.62180	1.6
73.37258	1.7
79.05503	19.2
81.07063	100.0
81.56849	1.4
82.07375	1.6
83.04562	1.5
83.04974	9.8
83.08630	8.9
85.02890	5.6
85.06561	8.3
87.04463	1.7
91.05492	30.4
93.07044	21.4
95.05009	7.6
95.08617	31.6
96.34570	1.4
97.02922	4.1
97.06555	10.4
97.10188	1.6
98.97600	1.9
99.04471	2.0
99.08095	6.1
100.11230	2.1
103.05494	2.3
105.07037	51.6
107.04964	3.4
107.08604	20.2
109.02020	1.4
109.02831	2.3
109.06510	8.9
109.10147	8.9
111.11741	2.3
113.06017	3.1
115.03927	4.8
117.07008	3.0
119.07806	3.0
119.08597	37.0
120.48252	1.5
121.06503	1.9
121.10150	31.2
123.08067	5.2
123.11713	29.9
127.07516	2.1
129.07016	3.6
130.05101	1.7
131.08589	3.1
133.10136	6.2
135.11710	2.5
137.05995	3.8
137.13260	5.5
139.03943	3.1
145.10149	5.8
147.11697	91.3
148.11949	2.2
151.49474	1.6
157.10149	3.0
159.11758	2.7
162.36362	1.7
163.11198	6.4
165.12770	63.0
167.07057	2.2
173.13216	1.7
175.07574	2.7
175.11191	5.5
181.08595	3.0
183.13774	9.3
189.09109	6.8
191.03369	3.2
193.12228	6.9
211.13210	3.0
213.76802	1.7
229.14343	16.8
279.15958	5.8
283.20602	2.3
297.16992	27.5
306.00696	1.9
307.26346	3.6
325.16504	37.8
343.14966	2.4
343.22662	3.2
343.30872	3.7
360.73764	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.5
57.07071	3.7
67.05495	8.6
69.03427	5.6
70.06597	2.0
70.78055	6.7
71.04978	2.9
79.05505	12.5
81.07059	41.2
85.02901	4.4
85.06581	2.3
89.06010	6.5
89.10116	2.0
90.06352	3.5
91.05486	5.5
93.07047	20.2
95.04970	7.5
95.08593	5.7
105.07015	9.7
107.07035	6.0
107.08590	9.4
108.07393	2.3
109.06525	7.6
109.10144	5.7
117.07005	3.9
119.08570	12.8
120.70629	2.0
121.06490	2.9
121.10161	23.0
123.11728	13.3
127.07577	5.3
130.67812	2.1
135.08075	4.5
135.11668	9.7
137.05876	3.4
139.03891	3.6
145.10130	29.9
151.11247	9.7
163.09868	4.6
163.11188	82.4
163.13214	13.9
164.13605	15.5
169.12209	4.8
181.12242	100.0
222.24680	2.1
260.19608	2.0
263.79767	2.1
299.12735	2.0
307.00418	2.0
343.17480	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	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39141	0.9
55.01863	1.3
55.05503	2.9
57.03448	1.3
58.51918	0.8
60.63336	0.9
65.03934	1.2
67.05503	6.5
69.03438	1.4
69.07063	2.3
69.54148	1.5
69.54552	5.0
71.55064	0.9
79.05499	6.0
81.07059	15.3
83.04970	1.5
85.02901	2.1
91.05475	6.5
93.07050	12.3
95.04977	4.2
95.08610	2.3
97.06528	1.5
103.05478	1.1
105.03387	1.0
105.07033	6.7
107.04987	2.2
107.08585	4.4
109.06542	6.1
109.10179	5.9
109.76018	0.9
111.30820	0.9
117.07008	3.1
119.04977	1.1
119.08583	8.5
121.06502	1.5
121.10150	16.1
123.11691	2.0
127.07557	1.8
128.06184	1.0
130.07764	1.5
131.04961	1.0
131.08551	1.2
133.06427	1.0
133.10132	1.7
135.08064	1.9
135.11679	1.9
137.06009	4.3
143.08560	1.4
145.06526	1.3
145.10133	21.2
151.07561	2.7
151.11168	2.0
161.06000	1.2
163.11188	100.0
175.07579	2.3
181.12190	2.0
189.09148	1.0
219.10237	1.9
265.08612	1.0
274.59854	1.0
297.11243	2.0
299.12726	1.3
311.12717	3.5
317.48770	1.2
325.14157	1.3
343.12012	2.2
343.15726	2.8
343.22815	1.1
349.77173	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.3
55.01876	6.3
55.05516	47.3
57.07053	3.7
67.05517	19.4
69.03429	7.7
69.07077	20.9
69.49639	18.7
79.05498	31.2
80.80581	3.7
81.07064	25.4
83.04974	3.1
83.08617	30.6
91.05475	11.3
93.07058	17.0
95.08606	11.1
97.06544	4.8
97.10177	74.3
105.07042	14.0
107.05003	2.8
107.08601	88.2
109.06561	2.7
109.10163	7.4
117.07016	6.2
119.08569	7.5
121.10117	4.0
123.08105	3.0
125.09638	72.4
127.33523	2.5
130.43208	3.1
131.08606	5.1
133.10098	6.4
135.08061	16.1
135.11668	5.2
143.08507	4.3
145.10121	14.2
147.11703	9.3
149.09573	5.2
151.07445	2.8
153.09088	15.3
157.10129	3.6
157.12233	8.7
159.11690	5.2
159.68193	2.9
161.13297	2.9
171.10213	4.8
171.11627	5.6
181.12190	6.0
203.12791	100.0
239.18010	6.5
257.19046	14.5
275.20074	39.6
283.20691	3.7
289.21698	18.7
307.22610	16.8
322.17389	2.8
342.21112	4.1
343.22482	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	342.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46856	0.7
53.03957	0.6
53.47048	0.6
55.01856	0.6
55.05517	7.2
57.03436	0.9
57.07080	14.4
61.02904	1.9
66.07397	0.6
69.03422	2.7
70.50902	2.3
73.02899	0.8
81.03427	1.8
83.08624	3.8
85.02912	13.7
87.75916	0.7
89.06039	34.0
91.03949	0.7
97.02888	3.5
101.09661	15.6
107.07076	34.4
109.02881	0.9
127.03935	2.3
144.42261	0.6
145.04956	3.1
163.13306	100.0
178.08267	0.6
239.38226	0.7
337.99997	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77444	0.7
53.03963	1.1
55.01879	1.1
57.03447	5.7
61.02924	2.4
69.03441	3.3
69.83433	1.1
69.83826	2.0
70.06607	1.6
71.05001	1.9
71.08620	1.1
73.02926	0.7
79.05482	1.6
79.46835	0.7
80.19750	0.7
81.03439	2.1
81.07079	4.3
85.02911	12.9
85.06532	1.3
91.05495	0.8
96.06899	0.8
97.02903	3.4
98.21512	1.1
99.08109	11.2
107.04910	0.7
109.02926	1.2
109.06528	2.2
109.07664	4.7
117.09145	100.0
119.05012	1.0
121.06509	2.5
123.04501	0.8
124.50614	0.7
127.03954	2.2
127.07573	4.9
134.04103	0.7
135.04477	0.9
135.10219	1.2
138.09169	0.8
139.03951	0.8
145.04968	3.0
145.08690	0.7
147.04424	2.1
148.04758	1.0
153.01915	0.7
153.06677	0.8
159.08739	0.7
162.05511	1.9
163.03935	11.5
163.09673	16.9
168.11324	1.4
180.06567	1.2
180.10165	1.7
191.09058	0.8
212.10313	1.3
310.17654	2.7
342.16684	1.0
342.20200	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	342.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30857	0.4
55.01884	0.4
56.96552	1.6
57.03419	0.5
69.03420	1.0
69.94131	2.2
70.06586	1.2
74.68891	0.4
79.05482	0.6
81.03386	0.4
81.07072	0.5
84.08170	0.5
85.02907	1.9
91.05479	0.7
97.02900	1.4
97.91347	0.4
98.97598	0.8
99.08096	1.9
107.04991	0.5
111.04429	0.6
117.09139	7.4
119.04933	1.4
123.04417	1.3
127.03934	0.7
128.45744	0.4
135.04398	0.5
136.06165	1.2
139.03920	2.8
140.04245	1.5
143.00050	0.4
145.04977	0.6
145.08653	0.5
147.04420	3.6
148.04727	0.6
151.03877	0.8
152.04294	0.8
163.03918	1.2
163.09647	1.4
170.40816	0.6
179.03400	0.6
180.06320	100.0
181.04939	0.7
185.04248	0.7
208.08032	0.7
270.04788	0.9
288.05927	0.7
306.06992	0.8
342.11597	36.8
343.12289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65060	4.2
53.03963	9.4
53.22760	4.1
53.48083	4.2
54.46626	3.8
55.01877	6.8
56.96564	52.7
56.97961	4.1
57.03436	18.0
59.60854	5.5
61.02937	13.7
69.03439	46.1
69.67070	23.6
70.06580	13.6
71.01357	4.3
73.02931	22.7
81.03419	19.5
84.96031	15.6
85.02917	85.7
85.91209	4.2
87.04503	7.8
91.03970	6.6
91.05501	19.7
95.05001	6.7
97.02898	45.0
98.06031	5.2
98.97598	100.0
99.04455	13.4
104.14580	4.9
107.04955	8.8
109.02902	21.6
110.07207	5.7
110.97556	35.0
112.07567	6.3
112.99182	4.9
116.98633	38.4
117.09138	15.1
119.01832	7.0
119.04935	26.7
121.02884	5.0
123.04440	7.9
124.04720	6.5
124.99168	10.0
127.03941	40.3
128.98650	21.3
131.00157	4.8
134.99622	7.8
135.04462	6.9
139.03934	27.4
140.02335	8.3
140.18629	4.8
143.00209	14.0
145.04984	13.0
146.02306	5.4
146.99712	11.7
147.04431	73.4
148.04784	10.5
151.03897	8.0
153.01866	6.1
156.03354	32.1
158.99698	23.9
161.01294	12.1
161.02715	7.0
161.04771	5.0
163.03951	28.8
164.02290	10.2
165.05588	6.4
168.03371	21.0
170.03435	6.4
170.99670	15.7
172.94238	4.4
173.02853	11.4
174.04445	32.0
177.00728	14.3
179.03583	4.9
180.03696	6.2
180.06326	28.6
181.98798	5.8
182.03386	10.5
182.99709	11.7
186.04422	70.5
189.00734	20.3
189.04092	7.3
190.95479	7.4
191.03935	17.2
200.00043	9.1
200.04477	6.6
201.00719	20.4
203.05272	7.1
204.05466	41.9
213.00720	9.7
215.02255	6.0
219.01738	37.4
232.96509	8.2
237.02866	35.8
245.05014	5.9
252.05775	83.9
257.03391	7.9
261.03342	6.3
261.06305	66.2
295.96057	7.1
299.04391	6.2
341.99384	6.1
342.11783	63.7
359.06586	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.01862	1.7
55.05510	18.2
55.44513	1.4
57.03432	3.7
57.07060	5.5
60.99325	1.7
61.02933	17.3
65.03922	2.1
67.05177	2.9
67.05508	37.7
67.80413	1.5
68.14890	1.5
68.28941	1.5
69.03428	8.6
69.07079	21.0
69.49217	3.0
69.49634	7.6
70.06600	1.7
70.95872	2.1
71.04977	4.3
72.93801	3.1
73.02904	5.5
79.05494	13.3
79.89914	1.5
81.03414	2.6
81.06588	3.4
81.07062	66.6
81.07535	3.7
82.06625	2.0
82.07394	2.0
83.04969	4.6
83.08624	13.5
84.08125	1.4
85.02917	15.4
85.06540	13.7
91.03463	2.1
91.03960	13.1
91.05479	8.2
93.07056	25.4
95.04961	7.0
95.08607	39.2
97.02916	11.3
97.06539	7.4
97.10177	2.7
98.20758	2.8
99.04477	2.5
99.08089	7.1
100.11261	12.3
101.06054	4.1
101.11568	1.6
105.03346	2.1
105.07030	14.5
107.04967	37.8
107.08601	21.6
107.24667	1.5
109.06512	4.8
109.10165	100.0
111.04459	3.2
111.08083	5.5
111.11748	2.0
119.08578	11.1
121.10165	16.3
123.04463	2.8
123.08071	2.5
123.11715	32.8
125.09642	5.2
127.03955	4.2
127.11214	9.4
128.07095	2.2
129.07013	2.1
131.04884	2.0
131.08557	4.7
133.10129	6.0
135.08054	2.8
135.11685	10.7
137.02409	1.7
137.05966	7.6
137.09602	3.8
137.13268	5.5
139.03882	9.3
139.11212	8.6
141.12762	1.8
144.05704	2.1
145.06503	2.2
145.10117	4.3
147.04312	2.3
147.11714	8.2
149.09642	3.8
149.13295	7.5
151.11113	2.0
151.14728	2.7
153.12770	3.8
154.12254	4.9
155.10643	8.9
156.01768	1.8
157.10144	3.0
159.11714	3.1
161.06012	2.5
161.09607	1.8
161.13283	4.8
163.11140	2.1
164.98486	3.3
165.12733	5.6
167.14351	2.0
173.06006	3.9
173.11893	3.2
173.13312	4.4
179.14230	2.3
182.15390	3.3
183.15654	1.7
187.07483	3.1
187.14883	3.3
189.16425	2.0
201.16385	1.9
206.99669	1.7
210.14888	4.6
211.15280	2.6
217.17639	1.9
227.17673	3.5
227.67610	2.3
230.99654	1.6
235.06042	6.8
240.14218	1.7
265.05261	3.0
276.45709	1.6
277.22949	4.2
277.72757	2.1
283.06339	12.5
287.23615	3.9
293.24640	3.7
301.07458	2.6
305.24701	19.1
309.02795	2.1
323.13013	1.9
323.25891	14.8
339.08691	2.4
341.06534	5.2
341.10126	3.8
341.13855	6.9
341.21121	3.7
341.26599	1.9
344.30609	2.0
357.09882	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
54.98099	1.8
55.01857	2.6
55.05515	24.4
57.03441	1.9
57.07073	7.5
57.22306	1.8
59.05016	2.0
60.75925	2.0
62.85144	1.8
67.05507	27.7
69.03426	6.7
69.07073	44.5
69.44812	1.8
69.45689	4.5
69.46087	15.1
70.30226	1.9
70.65939	2.2
71.04981	5.9
71.08614	2.2
79.05495	17.3
81.03403	3.3
81.07063	100.0
83.04971	5.0
83.08633	10.4
84.60427	1.9
85.06552	14.8
91.05486	9.1
92.51514	2.1
93.07048	39.6
95.04984	2.8
95.08614	54.6
97.06525	8.6
97.10168	30.6
98.21498	2.9
99.08092	4.8
105.07043	16.6
107.04944	2.6
107.08602	41.6
109.06542	4.0
109.10174	30.6
111.08081	7.2
111.11707	11.2
117.07030	3.3
119.08627	14.0
121.10150	39.0
123.08089	2.0
123.11715	92.5
125.09635	5.0
131.08549	3.4
133.10120	11.5
135.11670	15.7
137.13234	14.4
139.11186	19.8
143.08554	3.0
143.10736	3.1
145.10059	4.3
147.11726	9.9
149.09668	4.0
149.13284	29.2
151.03923	6.8
151.11168	2.4
151.14845	2.6
153.12755	3.1
153.43690	1.8
155.14301	2.7
157.10196	5.0
157.12254	16.4
159.11699	2.3
161.13293	4.2
163.11189	3.2
163.14845	5.8
173.13318	5.2
175.14870	5.0
177.16447	2.8
181.12274	4.2
189.16295	5.5
193.15901	3.0
195.39587	2.4
201.16293	2.4
203.12790	6.2
217.08690	4.2
223.17033	2.4
249.18610	2.3
269.12415	3.5
275.23715	2.9
277.25369	3.1
287.23737	5.0
293.24689	11.0
297.10925	2.1
305.24713	33.3
311.25842	4.6
323.25839	16.6
341.10117	4.3
341.13821	7.6
341.21286	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	341.2112
Annotation	Sucutinirane C
Peak:m/z	Relative Intensity
53.03930	5.9
55.05524	17.0
57.07055	3.3
65.03926	2.5
67.05509	15.7
69.07052	3.1
69.12534	2.7
78.06754	2.0
79.05152	2.3
79.05500	26.9
79.70249	2.0
81.06602	3.0
81.07064	57.9
83.04972	2.6
91.05473	21.2
93.07049	18.8
95.04980	29.1
95.08608	12.5
97.06517	7.4
105.07026	41.5
107.08600	14.1
109.06493	4.3
109.10171	4.3
115.17652	2.1
116.06269	3.2
117.07027	9.4
119.08584	19.2
121.06477	5.7
121.10148	6.3
128.06235	11.0
128.91463	2.3
129.07011	16.8
130.07764	4.1
131.08548	18.9
133.10114	9.3
135.08090	5.0
141.06993	11.5
142.07768	16.9
143.08559	52.2
145.06506	3.3
145.10147	13.5
147.08025	3.9
147.11682	5.0
153.07034	6.1
154.07771	4.4
155.08559	30.0
156.09357	17.5
157.06516	2.3
157.10144	27.5
159.08130	5.1
159.11667	10.6
161.09573	4.2
161.13171	2.4
165.06973	5.9
166.07748	2.8
167.08580	15.2
168.09344	11.0
169.10124	34.0
171.08134	2.6
171.11708	18.2
173.13133	2.8
179.08534	5.1
179.25162	2.3
180.09315	2.8
181.10103	9.7
182.10909	11.8
183.11690	39.8
185.09589	3.7
185.13243	9.9
187.11186	2.8
193.10112	6.9
194.10837	4.0
195.11696	9.1
197.09659	4.0
197.13281	35.7
198.14018	3.0
199.11179	8.6
199.14815	9.9
201.12726	3.3
207.11671	7.2
209.13261	7.3
211.11189	6.6
211.14839	5.1
213.12737	3.8
221.13187	2.8
223.14833	4.3
225.12752	9.3
226.13463	8.9
227.14294	3.7
237.16403	3.8
239.17995	6.0
253.19530	5.7
260.87354	2.3
281.18958	29.0
299.19977	5.7
341.21082	100.0
341.25223	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	341.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31908	0.9
53.03938	4.8
55.01851	1.1
55.05508	4.6
56.03668	0.9
57.03426	1.8
63.11067	1.1
67.05505	6.9
69.03435	28.3
69.07075	5.2
71.04992	1.8
71.39127	0.9
71.39443	1.6
72.48228	1.2
79.05499	20.1
81.03415	1.3
81.07061	18.8
83.04996	4.8
83.08622	2.5
85.02892	1.2
85.06557	1.3
91.05486	34.3
93.03407	1.1
93.07049	100.0
95.04987	6.9
95.08593	5.8
97.06512	2.7
99.08115	1.0
100.11266	1.2
102.28647	1.0
105.04517	2.4
105.07030	20.1
106.07864	1.2
107.04963	1.8
107.08598	19.0
109.06524	3.0
109.10159	2.2
111.04435	3.2
111.08093	3.0
111.11684	1.0
115.05428	1.3
116.06210	5.2
119.08583	7.4
121.06516	6.0
121.10150	77.8
123.08133	2.1
123.11723	5.3
129.07014	3.3
131.08580	25.5
133.07637	1.8
133.10153	2.0
135.11697	1.8
139.03922	1.5
139.11168	2.0
147.11679	7.4
149.09634	69.0
151.04141	0.9
165.12738	3.3
167.10690	3.0
175.11110	1.2
177.12779	1.1
193.12227	1.8
281.11932	1.1
305.24686	1.8
305.99646	1.1
323.14862	3.1
323.25833	1.7
341.16031	2.1
341.20740	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.1
53.03952	2.4
55.05516	3.7
57.03444	3.7
57.09849	0.6
65.03953	1.0
67.05508	2.7
67.09723	0.6
69.03423	2.6
69.53439	1.0
69.53842	2.6
75.04484	10.2
77.03898	0.9
79.05499	22.0
81.03420	0.7
81.07080	3.0
83.04978	4.1
85.02904	1.2
91.05478	11.2
93.07051	100.0
95.04963	4.7
95.08624	0.8
103.05472	0.7
105.04565	0.9
105.07037	7.3
107.04978	0.8
107.08605	19.9
109.06499	0.7
111.04469	3.2
111.08082	7.6
119.08583	2.0
121.02905	0.9
121.10155	93.2
123.08071	1.5
123.11714	1.1
129.06998	0.6
131.08566	3.1
133.07607	0.9
137.05959	1.2
139.03922	2.2
139.11208	1.5
147.04456	0.7
149.09634	17.2
149.10773	1.2
157.05040	1.5
159.85893	0.6
161.05954	0.5
167.10698	42.4
179.07109	0.9
181.14160	0.6
191.10698	0.7
316.12900	0.7
323.15244	1.5
341.06497	1.1
341.16263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.0
55.05517	4.8
57.03444	2.3
65.03944	1.5
67.05508	2.8
69.03439	1.6
70.65264	1.9
70.65624	0.6
73.14162	0.6
75.04482	6.0
77.03926	1.5
79.05504	33.7
81.07068	2.8
81.80241	0.6
83.04990	3.1
91.05492	13.6
92.64140	0.6
93.07056	93.7
95.04993	6.3
95.08651	1.0
105.04523	0.9
105.07039	8.6
107.08611	26.6
109.06561	0.7
111.04462	2.2
111.08100	4.4
119.08617	1.5
121.10158	100.0
123.08072	1.1
123.11677	1.3
129.05501	0.8
131.08572	2.9
133.07623	0.6
137.05959	1.0
139.03929	1.2
139.11168	1.5
145.06598	0.8
149.09627	12.2
151.11212	0.8
157.04987	0.8
161.06023	0.6
163.03880	0.6
167.10696	19.1
202.80341	0.6
213.44109	0.6
221.36974	0.6
270.87802	0.6
323.14847	2.4
329.20975	0.8
341.15979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.1
53.03950	4.3
55.01875	1.5
55.05515	6.2
57.03458	1.6
57.07069	0.8
59.05007	0.9
65.03957	1.2
67.05507	4.2
69.03436	2.3
69.19597	8.2
73.45418	0.7
75.04485	3.2
79.05504	44.2
81.03442	1.2
81.07076	5.0
81.79236	0.8
83.05003	2.0
85.02916	2.4
87.04482	0.7
88.83913	0.7
89.06045	0.8
91.05494	16.1
91.85404	0.8
93.03403	0.9
93.07057	95.0
94.07384	0.8
95.04978	6.5
97.02900	1.3
103.05478	1.6
105.04527	1.7
105.07055	9.9
107.04954	2.4
107.08613	37.1
109.06561	1.6
111.04466	3.1
111.08105	4.0
117.07062	0.9
119.08601	2.3
121.02896	1.6
121.06552	1.3
121.10159	100.0
123.08060	1.3
123.11720	2.0
128.06189	0.7
129.05489	1.7
129.07036	1.5
131.04956	1.9
131.08609	3.9
133.06508	1.5
137.06003	13.6
139.03908	2.3
139.11250	1.1
147.04492	1.4
149.09645	14.0
151.07579	1.6
151.11237	1.2
157.05025	1.1
161.06001	1.9
161.09761	1.1
163.07510	1.4
165.09102	1.1
167.07083	2.8
167.10718	13.3
175.07574	1.5
187.07579	6.7
189.09137	2.2
191.10580	1.0
201.17007	0.9
203.08629	1.7
207.07770	2.7
209.11766	1.0
217.08658	2.8
219.08142	1.3
221.09625	1.0
231.08156	2.0
247.07550	2.3
247.34723	0.9
248.08411	2.3
249.09149	1.0
263.10724	1.6
271.09616	1.6
276.07977	1.1
277.08572	1.3
281.11710	1.2
291.10062	3.8
293.08429	1.0
296.10477	1.1
309.11295	1.8
311.12762	1.6
323.12283	5.7
341.13467	3.8
341.20682	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15831	0.2
54.39773	0.2
54.77751	0.2
55.05540	0.5
57.03434	0.3
65.03961	0.5
67.05539	1.1
68.99841	0.3
69.03451	0.5
69.07087	0.6
69.18842	0.9
69.19265	1.7
73.72461	0.2
79.05528	0.8
81.03433	0.6
81.07072	2.0
83.05006	0.7
83.08645	0.3
85.02914	0.4
85.06577	0.3
91.05505	0.4
93.03451	0.3
93.07050	1.2
95.05006	0.5
95.08633	0.9
97.02934	0.3
97.06543	0.4
98.21615	0.4
105.07066	0.9
107.04987	0.5
107.08636	0.9
109.06536	0.5
109.10176	0.7
111.04485	0.5
111.08118	0.3
119.08612	0.7
121.06590	0.3
121.10165	0.5
122.03696	0.3
123.04457	0.4
123.11758	0.4
127.07610	1.1
133.02971	0.3
133.10167	0.4
135.04446	1.1
135.11732	0.6
137.05981	3.4
139.03915	6.0
145.06483	0.3
149.06007	1.6
149.09615	0.3
151.07645	0.5
153.05489	0.5
159.08069	0.3
161.05994	0.4
162.06787	0.4
163.07509	1.7
163.11247	1.8
164.08357	4.2
174.06763	0.3
175.07640	0.6
177.09169	0.9
187.07610	1.4
189.05440	0.4
189.09128	0.6
190.06310	1.1
191.10706	2.4
192.11465	3.8
193.12251	10.3
195.10202	0.6
203.10468	0.2
207.06554	5.7
208.07327	9.0
209.08057	0.4
211.07629	0.4
215.10677	0.7
217.08714	0.7
219.08206	0.4
219.10205	1.0
222.08734	0.3
227.07051	0.8
237.11235	100.0
238.11533	0.9
248.08443	0.6
255.06612	0.6
255.12309	0.9
259.76270	0.2
263.10687	0.7
265.08612	0.3
270.08881	0.9
271.09723	1.2
276.07831	0.3
279.10291	0.5
291.10236	1.6
305.24728	0.4
309.11060	0.4
311.12759	0.4
323.12714	1.1
341.12311	16.4
342.12720	0.5
343.59607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75157	3.1
56.96563	38.8
57.03447	19.3
57.03678	3.1
60.95856	3.9
61.02931	88.4
69.03429	16.4
69.77267	14.7
70.98107	7.3
71.01344	4.0
71.04984	3.5
73.02911	8.4
81.03419	9.6
84.96043	4.2
85.02909	49.5
86.03255	3.7
87.00838	3.8
87.04482	4.7
89.00771	7.5
92.48587	3.1
97.00544	3.4
97.02905	18.0
98.03245	5.6
98.20759	4.3
98.97586	67.5
100.07642	6.4
100.99167	4.2
101.00809	6.2
101.99722	5.7
102.15803	3.2
102.96925	7.3
109.02878	11.2
110.01244	8.3
110.97562	12.5
111.00183	5.3
112.99125	11.0
113.02388	9.4
116.98621	13.6
117.00227	3.6
117.01997	4.6
118.01036	7.4
119.01821	11.2
124.95486	15.2
126.02511	4.5
127.01501	6.9
127.03913	25.6
128.02292	8.1
128.98590	16.7
131.00139	11.9
132.00749	15.4
133.03372	4.2
137.05899	4.8
138.08727	3.4
140.98534	3.9
141.01273	30.5
141.03070	4.8
142.96504	7.4
143.00156	11.0
144.97986	4.1
145.01591	4.6
145.04980	5.9
146.08154	4.8
146.99658	14.3
147.04391	8.3
148.02063	4.5
150.01816	47.7
150.99078	3.7
152.95035	6.9
155.00169	4.2
156.98109	8.1
157.02618	4.8
158.99704	5.7
160.97569	4.3
161.01158	7.6
169.04349	7.3
169.54521	6.4
170.05136	5.5
170.96051	11.4
170.99692	5.9
173.01245	11.0
174.99170	14.9
175.00801	12.3
175.02711	4.6
178.04919	12.6
178.55096	12.6
182.01581	7.4
183.02254	5.0
184.01259	6.5
184.97562	4.1
188.97099	8.5
189.00671	9.6
190.01328	4.9
191.02161	11.1
193.00151	8.0
196.01308	21.7
201.00713	9.0
202.98538	9.9
203.02156	8.0
205.00212	7.4
205.01830	37.5
207.01782	4.2
211.01035	4.4
212.02762	6.4
213.03354	9.0
214.02209	4.6
214.98538	6.0
217.00049	5.6
219.01776	16.8
220.04176	7.1
220.99686	3.9
226.02344	93.3
226.52551	11.7
229.04723	23.0
232.99715	5.1
233.03343	5.3
235.02867	100.0
235.04628	4.7
235.53029	9.3
237.02782	9.2
242.03618	5.7
244.03421	12.1
244.99611	4.0
246.53818	6.4
250.07129	7.3
250.57501	10.3
251.04385	16.9
251.07355	3.4
259.57770	20.2
260.07971	6.0
263.00693	9.6
269.05508	30.5
281.01700	5.2
281.05609	6.4
317.01840	4.0
338.09674	7.3
341.07227	17.9
341.11560	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	340.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.2
55.05509	15.5
56.13788	3.3
56.93079	3.4
57.03440	5.9
67.05514	53.3
69.03432	4.6
69.07079	17.5
70.68658	3.7
70.68974	5.6
79.05502	16.4
81.07070	48.9
83.04987	15.1
91.05473	35.4
93.07047	30.4
95.04947	3.6
95.08612	11.8
97.06547	5.6
103.67791	4.1
105.07040	44.0
107.04963	5.1
107.08605	43.5
109.06507	5.1
109.10166	53.1
117.07028	4.8
119.08562	15.8
121.10171	5.2
123.11682	20.2
131.08583	4.9
133.10133	90.6
135.08113	3.9
135.11696	3.5
147.11693	5.8
149.09604	4.1
151.11200	100.0
169.77719	3.7
179.10693	16.3
183.13849	34.2
193.05040	3.2
273.18341	8.1
273.98257	3.5
291.19647	9.5
305.21219	8.3
340.28546	3.9
340.35623	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	340.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41905	1.6
52.58072	1.6
55.05494	2.1
57.07084	2.3
67.05502	5.1
69.07068	7.7
71.26201	2.1
71.26517	2.2
79.05467	2.5
81.07059	8.4
91.05496	7.5
93.07039	5.3
95.02245	1.7
95.08616	18.8
105.07030	40.2
107.08619	7.7
108.41901	1.6
109.10178	13.7
119.08583	20.1
121.10155	6.3
123.11700	5.4
133.10136	10.8
135.42621	1.8
137.75543	1.6
141.14018	2.2
143.26335	1.7
147.11697	29.9
149.13254	9.7
161.13248	10.4
165.12712	3.8
175.14856	2.1
203.17957	100.0
204.18419	2.4
221.19037	6.8
263.20090	8.3
340.35779	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01855	6.4
57.03421	5.6
61.02925	8.6
68.99771	3.6
69.03091	2.2
69.03433	33.0
70.06561	2.2
71.04974	5.6
71.53496	2.0
73.02911	7.9
81.03424	20.3
85.02909	100.0
87.00317	2.5
87.00832	49.6
97.02897	33.3
99.04479	13.5
105.01874	88.1
105.07014	1.7
108.04479	3.3
109.02879	26.8
117.01801	2.2
119.04924	1.7
120.05252	2.0
123.04503	2.8
127.03925	80.8
129.01840	3.4
143.10661	2.8
145.04967	36.5
147.02901	2.4
147.04407	5.3
148.04724	8.2
159.02904	11.6
161.11830	1.6
179.30693	1.7
189.03897	4.2
189.08511	2.1
196.04132	1.8
231.04993	22.2
242.04857	2.2
249.06149	9.4
323.14145	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	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03938	3.4
55.01874	2.9
55.05515	46.2
57.03431	4.5
57.07072	8.5
59.04995	2.7
65.03965	3.3
67.05505	25.5
69.03426	6.4
69.07073	37.9
71.01353	4.5
71.04988	12.1
71.08615	2.4
71.54315	2.3
71.54776	2.7
79.05499	14.6
81.03442	4.8
81.07060	100.0
83.04976	6.1
83.08220	2.6
83.08617	14.4
84.84545	2.6
85.06544	11.4
91.05482	13.4
93.07045	52.8
95.04980	7.5
95.08610	72.0
97.06548	15.4
97.10174	46.0
99.08140	4.1
103.25566	2.7
105.07031	28.7
107.08597	56.4
109.06533	6.8
109.09469	5.1
109.10168	61.8
111.08102	7.7
111.11728	5.1
116.16499	2.6
118.35662	2.4
119.08585	26.8
121.06542	4.9
121.10143	47.9
123.08064	5.7
123.11720	49.7
125.09589	18.3
125.13241	6.8
127.11258	3.1
131.08560	6.1
133.10162	15.2
133.59175	2.7
133.78038	2.8
135.11693	40.1
137.09633	6.0
137.13266	6.6
139.11220	6.9
143.10680	13.3
145.10158	7.1
147.04404	8.5
147.11700	16.9
149.13284	28.6
151.11250	3.2
151.14876	2.7
153.12752	5.7
157.10120	3.3
157.12251	7.4
159.11719	9.6
161.13274	9.1
163.11201	3.9
163.14825	12.1
165.12778	7.0
167.14333	3.2
173.13196	4.7
175.14890	6.2
177.12753	8.7
177.16330	4.3
181.12227	4.4
195.13817	22.3
203.18001	3.7
204.18318	3.1
217.19594	2.9
257.22629	11.3
275.23691	24.9
285.22165	5.1
291.23138	4.8
293.24744	19.2
303.23245	37.1
309.24258	7.8
321.24213	22.5
339.12265	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03934	2.0
55.01860	0.8
55.05512	44.1
57.03439	2.0
57.07063	3.4
60.13792	0.7
67.05505	7.6
68.89346	0.7
69.03411	2.8
69.07067	18.6
71.04964	1.2
71.53493	1.0
73.06556	1.1
79.05502	5.6
81.06593	1.4
81.07056	26.3
83.04962	1.3
83.08620	4.8
85.06531	2.0
86.39817	0.7
87.08100	1.5
91.05482	5.3
93.06487	1.0
93.07047	12.0
95.04985	1.6
95.08611	37.7
96.40864	0.8
97.06518	3.0
97.10171	100.0
99.08079	1.4
101.06004	1.9
105.07026	6.6
107.08596	11.5
109.06493	1.8
109.10158	14.0
111.04461	0.7
111.11702	1.5
119.04980	1.0
119.08578	8.8
121.06485	0.8
121.10146	8.0
123.08056	1.7
123.11703	8.4
125.08768	1.2
125.09630	17.1
125.71957	0.8
127.11186	1.0
127.45229	0.8
131.08565	1.9
133.10109	4.6
135.08072	1.5
135.11734	5.1
137.09593	2.4
137.13220	2.2
139.11142	3.8
141.09111	1.1
143.10681	39.6
143.11815	2.0
145.10132	2.5
147.04399	2.5
147.11665	4.5
149.13234	6.4
151.07495	1.7
151.11162	2.0
151.14825	5.5
157.10194	1.4
157.12231	1.5
159.11668	3.4
161.13274	6.1
163.11147	1.5
163.14806	2.6
165.12744	3.1
167.14276	2.5
169.08693	0.8
171.10226	4.2
171.11458	0.8
173.13200	2.0
175.14780	2.3
177.12720	2.6
178.13358	0.8
179.14296	5.6
187.14851	2.5
189.11243	9.7
195.13809	2.0
201.16350	1.8
203.18004	1.2
257.22760	0.9
267.21017	1.2
275.23749	2.4
277.21405	1.0
279.16412	1.2
285.22076	1.5
291.23166	1.3
293.24741	1.8
303.23242	9.6
309.24316	1.8
321.24240	50.2
339.12335	1.8
339.19357	0.9
339.25223	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	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
50.41122	0.5
53.03941	1.4
55.01877	1.0
55.05512	39.8
55.74944	0.5
57.03425	1.4
57.07084	1.6
61.73086	0.5
67.05503	6.0
69.03428	2.5
69.07070	16.6
69.67176	1.7
69.67621	1.8
71.04981	1.7
73.02925	0.7
79.05500	2.9
81.03419	0.6
81.07058	15.8
83.05012	1.3
83.08598	3.2
83.44149	0.6
85.06552	1.5
86.72246	0.6
87.08108	1.0
89.33985	0.6
90.00524	0.5
91.05463	3.0
93.07047	8.7
95.04983	2.0
95.08614	19.5
95.12888	0.5
97.06531	2.3
97.10172	100.0
98.10493	0.8
98.20773	1.1
99.08098	1.1
101.06046	1.1
105.07034	7.1
107.08598	8.4
109.06502	1.5
109.10165	9.7
109.10915	0.6
111.08087	2.0
111.11732	1.5
119.04990	0.7
119.08578	8.0
121.06524	0.7
121.10165	6.0
123.08092	1.1
123.11716	5.7
125.09633	18.0
127.11234	0.6
131.08545	1.5
133.10132	5.1
135.11703	6.4
137.09599	1.5
137.13237	1.8
139.11163	2.8
141.09113	0.7
143.10678	41.7
145.10144	3.7
147.04442	2.7
147.08083	2.6
147.11691	5.4
149.13292	4.1
151.11200	1.3
151.14848	2.0
153.12776	0.6
155.10663	0.8
157.12241	1.6
159.11710	3.1
161.09618	1.0
161.13269	5.0
163.14818	1.0
165.09196	1.0
165.12813	2.2
171.10181	6.7
171.11583	0.7
173.13290	1.5
175.14827	1.2
176.14427	0.7
177.12808	1.0
179.14323	1.0
181.12190	0.6
187.14836	1.9
189.11211	10.0
189.12727	1.2
189.16519	0.6
201.16353	0.8
205.15979	0.6
207.13777	0.6
218.06302	1.0
236.07343	0.6
243.21016	0.7
267.21100	1.4
275.23868	1.2
277.21640	2.2
285.22211	2.1
291.23184	1.0
303.23190	11.6
303.26309	0.5
309.24338	3.5
321.24243	19.7
339.12277	2.2
339.17508	2.6
339.25357	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	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03942	1.2
55.05514	44.2
57.03437	2.4
57.07081	3.5
59.04980	0.8
67.05508	6.7
69.03428	2.1
69.07069	16.8
69.73724	1.2
69.74133	2.4
71.04999	1.4
71.08627	0.8
73.06551	1.1
79.05495	3.0
79.30774	0.5
79.31313	0.5
81.06590	1.1
81.07066	22.2
83.04996	1.3
83.08625	4.3
85.06553	2.5
87.08087	1.0
91.05488	1.9
93.07047	8.8
95.04973	2.3
95.08611	31.0
97.06521	2.5
97.10174	100.0
99.04465	0.9
99.08108	1.3
101.06036	1.3
105.07032	7.5
106.31236	0.6
107.08595	8.5
109.06524	1.7
109.10163	10.9
111.08105	0.7
119.05058	0.8
119.08598	6.5
121.06555	1.1
121.10168	5.9
123.08060	1.5
123.11701	8.0
125.09634	15.9
126.43115	0.6
127.03986	0.7
127.11250	0.6
131.08551	1.4
133.10120	5.5
135.08044	0.7
135.11702	4.2
137.09637	1.9
137.13274	1.9
139.11177	2.6
141.09137	1.4
143.10681	39.3
145.10052	1.4
147.04433	1.1
147.11685	3.3
149.09573	0.7
149.13242	5.0
151.07608	1.6
151.11224	1.3
151.14844	5.0
153.09201	1.3
153.12712	0.9
157.10156	0.7
157.12241	1.7
159.11702	2.7
161.09669	2.1
161.13249	4.7
163.11174	1.7
163.14870	1.2
165.12785	2.4
167.14366	2.3
171.10167	5.7
171.11560	0.9
173.13263	1.4
175.14856	1.5
177.12802	2.7
179.14325	4.6
187.14882	2.1
189.09499	1.1
189.11241	7.3
189.12788	1.1
189.16415	1.3
190.04102	0.6
191.14211	0.9
195.13834	2.2
230.38622	0.7
238.31667	0.7
247.16943	0.8
257.22726	1.1
275.23764	2.7
277.21747	1.4
285.22318	1.3
291.23102	0.7
293.24835	2.3
295.22855	1.1
303.23212	10.4
309.24350	1.9
321.24249	58.5
322.24841	1.5
339.25296	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	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
51.08830	1.5
53.03940	6.0
55.01862	5.3
55.05516	20.9
57.03418	4.6
57.07063	4.6
59.04997	5.5
60.16810	1.4
65.03957	2.3
67.05509	51.5
69.03434	13.0
69.07072	29.3
71.01341	3.9
71.05001	23.2
71.53995	2.7
73.02923	2.0
79.05070	2.7
79.05499	33.2
81.03410	5.9
81.07060	100.0
83.04990	8.5
83.08622	15.8
83.74589	1.5
85.00143	1.6
85.02885	3.3
85.06532	6.4
86.03533	1.6
91.05489	30.0
93.07048	69.2
95.04970	16.5
95.08610	73.8
97.02905	3.6
97.06519	14.4
97.10171	12.3
98.97607	2.0
99.04453	9.5
99.08073	4.4
100.11211	1.7
103.05456	1.6
105.03424	2.0
105.07037	69.1
107.04945	4.6
107.08603	51.3
109.06534	12.2
109.10164	86.9
110.21290	1.9
111.04325	1.7
111.08109	10.2
111.11731	4.2
113.06048	2.3
115.05452	3.1
117.07000	6.0
117.70738	1.6
119.04958	3.3
119.08591	28.7
121.06499	5.8
121.09325	3.0
121.10149	42.8
123.08084	8.6
123.11713	30.6
125.06013	2.5
125.09649	7.4
127.07619	2.4
127.11210	5.2
129.06999	2.6
130.07796	3.2
131.08577	10.8
133.06502	15.7
133.10135	53.6
135.08040	3.5
135.11708	26.3
137.05983	4.3
137.09656	11.3
137.13281	3.5
139.11194	11.2
143.08572	6.3
143.10648	3.1
144.09235	1.9
145.10121	18.1
147.04407	9.1
147.08067	4.6
147.11693	23.5
149.09599	6.0
149.13261	11.5
151.07533	1.8
151.11192	6.6
153.12740	11.8
155.10640	4.9
156.09332	2.0
157.10117	5.2
159.08026	2.2
159.11729	12.2
161.05943	4.4
161.09637	30.8
161.13252	8.3
163.11197	20.6
163.14795	2.5
165.12759	5.8
171.11682	6.3
173.09637	14.4
173.13255	4.4
175.11214	9.4
175.14896	3.3
177.12756	6.7
177.16315	2.8
179.06963	2.2
179.10669	6.8
181.12238	13.4
183.06525	3.1
185.13318	2.6
187.14819	3.7
189.09138	10.9
189.12726	13.9
191.14214	3.3
193.12308	3.0
199.11050	1.5
199.14838	2.4
201.16385	6.2
205.15923	1.7
207.10132	3.1
211.14842	1.7
213.07532	4.8
213.16348	1.7
217.12202	6.3
235.13263	11.2
243.21242	1.8
253.14400	13.3
255.21080	2.4
267.21027	2.9
273.21994	2.3
275.23743	2.9
285.22241	3.0
291.23083	2.9
293.13779	4.5
303.12250	2.3
303.23245	14.1
321.13434	11.7
321.24219	19.5
334.80737	1.6
339.05408	5.3
339.14462	16.3
339.25430	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	339.1076
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
54.39887	0.3
55.05487	0.4
57.07079	0.4
65.03925	1.0
67.05495	0.5
69.03423	0.6
69.07063	0.7
70.06548	0.3
71.04992	0.7
71.23259	0.7
79.05500	1.0
81.03400	0.7
81.07061	0.8
82.59993	0.4
83.04964	0.6
85.02914	0.7
87.77587	0.4
91.05486	19.3
93.07059	0.8
95.04964	0.8
95.08600	0.4
97.06536	0.4
102.86676	0.4
103.05478	0.5
105.07041	1.2
107.08617	0.7
111.04437	0.4
119.04948	25.3
119.08583	1.0
121.02844	0.4
121.06512	0.7
121.10153	0.4
123.04441	0.4
131.04977	0.7
131.08571	1.2
133.10132	0.6
137.05908	0.4
143.08578	0.4
145.10126	0.9
147.04416	100.0
148.04805	0.7
149.06084	0.4
149.09647	1.6
159.11746	0.4
161.09599	0.8
163.03783	0.4
163.11143	0.5
165.05415	0.4
173.09602	0.4
176.29967	0.4
177.05568	0.4
188.08377	0.4
189.09003	0.5
191.10670	0.5
195.06563	0.4
203.88051	0.5
231.75621	0.4
339.08307	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	339.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58430	0.3
54.79389	0.4
65.03945	0.7
70.11377	1.7
80.15358	0.3
83.68860	0.4
91.05495	7.5
91.13388	0.4
119.04959	23.2
147.04428	100.0
203.03337	0.4
230.75389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	p-Coumaroyl quinic acid
Peak:m/z	Relative Intensity
61.90466	0.3
65.03941	1.0
66.92233	0.4
67.98139	0.4
70.97318	0.9
91.05487	11.1
105.78041	0.4
119.04953	25.3
119.25794	0.4
147.04417	100.0
195.32381	0.4
209.11644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	p-Coumaroyl quinic acid
Peak:m/z	Relative Intensity
58.47926	0.4
58.99543	0.4
65.03948	0.6
69.91695	0.4
70.30173	0.9
81.50161	0.4
83.04990	0.5
91.05482	8.8
100.50476	0.4
109.34038	0.4
119.04947	22.6
129.41411	0.4
144.01031	0.5
147.04414	100.0
147.50975	0.4
148.04785	0.8
261.03986	0.7
305.53568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30185	0.6
51.53650	0.5
52.75394	0.5
53.79333	0.5
55.01871	0.8
56.96551	1.1
61.71301	0.5
65.03951	1.3
68.99788	2.2
69.03439	1.3
69.88021	2.6
73.38674	0.5
83.04949	1.0
85.02869	0.7
87.60458	0.5
91.05492	10.7
93.03379	0.6
93.07127	0.6
97.02889	2.8
98.97558	1.0
107.04955	1.2
111.04448	0.7
119.04945	25.4
121.02882	0.7
123.04429	2.6
125.02334	3.1
127.03921	0.8
131.04918	0.8
135.04442	1.3
139.03891	10.1
143.04872	0.8
145.02835	1.0
147.04413	100.0
148.04753	1.0
149.05968	0.9
151.03908	2.9
151.63612	0.5
155.04967	0.7
157.06493	1.0
159.04366	0.9
163.03918	6.3
165.05562	0.7
173.06004	0.7
175.03957	1.2
177.00787	0.7
177.05470	19.3
179.03365	0.9
181.04984	2.7
183.30687	0.6
187.03867	3.1
189.05464	1.1
191.03366	1.7
193.04951	1.7
201.05489	1.2
203.03400	31.5
205.04950	10.5
213.05513	0.9
215.03395	4.4
217.05089	0.6
221.04474	2.4
222.23112	0.6
229.05147	1.3
231.02921	3.0
233.04462	10.4
237.02734	0.8
241.04816	0.7
247.06010	6.4
249.03954	1.7
251.05536	6.6
255.05287	0.7
257.04553	0.9
259.06070	0.7
269.03494	0.6
275.05530	3.2
277.03470	2.0
277.06912	1.4
295.04465	7.1
303.05078	1.4
321.06067	28.3
339.03058	0.9
339.07126	16.9
339.10913	0.7
339.15491	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33829	1.1
55.01897	1.6
56.96302	2.5
56.96569	40.7
57.03438	4.3
60.95861	11.1
61.01139	1.8
61.02937	6.1
63.27174	1.3
69.03434	8.2
69.20503	4.6
69.20935	6.6
70.98132	8.5
71.05000	2.1
71.95271	2.3
73.02916	5.4
74.97395	7.3
81.03406	4.5
84.96045	6.3
85.02908	14.9
87.04496	1.6
88.99162	3.4
90.98772	1.3
91.03931	1.5
91.05504	9.4
92.98409	2.0
97.02901	10.6
97.96795	2.3
98.97594	100.0
99.04459	2.7
100.07658	1.3
100.97195	1.7
100.99159	4.8
101.00879	1.5
102.96895	5.3
109.02860	3.7
110.01294	1.5
110.97575	13.8
112.99152	3.7
116.98636	39.8
117.01948	1.5
119.00252	1.6
119.01919	2.2
119.04951	16.8
120.97895	2.0
121.02877	2.1
123.87054	1.1
124.99142	3.9
127.00660	1.6
127.03944	3.8
128.98604	16.5
130.93341	3.6
131.00163	5.0
132.97951	2.1
134.99666	12.9
138.04370	1.4
139.03920	2.7
140.98616	2.5
143.00191	10.5
145.01686	4.0
145.04962	4.6
146.99663	14.2
147.03333	2.0
147.04411	58.8
147.99977	1.5
148.04784	3.1
148.99211	1.4
150.98967	5.2
153.00661	1.5
153.98616	1.3
154.00481	1.3
154.93246	2.4
155.00136	2.3
155.01949	1.5
155.04628	3.1
157.01703	2.3
158.95845	2.5
158.99667	16.3
159.03200	1.4
161.01202	6.6
162.99123	1.8
163.02679	2.7
163.03938	2.6
165.00742	8.9
168.05466	12.0
169.00078	2.1
170.99661	7.0
171.01007	1.8
172.94386	6.0
172.97621	1.9
173.01295	3.4
173.04736	1.3
174.99139	2.1
175.02798	1.8
175.04599	1.4
176.96913	10.0
177.00735	9.9
177.04294	1.5
177.06487	11.4
178.04784	1.5
179.02260	1.2
180.97949	2.1
182.99683	1.8
186.04338	1.3
186.99193	1.8
188.97165	1.6
189.00818	8.8
190.95410	4.4
190.98616	3.4
191.02246	7.2
191.03819	2.2
191.05920	1.2
193.00136	1.7
194.97958	15.3
194.99715	2.8
195.01549	1.5
196.01370	1.3
197.01242	1.7
198.98885	1.2
201.00752	3.0
205.00201	4.0
207.01897	7.5
208.99475	6.4
211.51723	1.4
212.98862	2.4
213.00710	2.4
214.95374	3.7
218.98293	1.8
219.01872	12.4
220.02238	2.3
220.06801	1.8
221.05161	1.8
221.98720	1.6
222.97488	4.4
223.01328	1.3
225.00977	1.6
227.00552	3.7
230.98320	1.7
231.01704	1.5
232.96445	4.4
233.03754	1.4
236.99068	14.9
237.02823	22.4
242.03613	2.3
242.98337	2.1
243.99040	1.7
248.99307	1.6
249.02649	2.3
249.08035	4.1
250.97475	1.7
251.00642	2.1
251.04462	4.7
251.54749	1.5
254.99939	4.8
255.03838	7.2
256.96420	9.1
258.08783	7.6
260.99606	1.7
261.02887	1.9
261.06183	1.3
263.00842	2.3
265.00891	2.4
269.05463	10.2
274.97501	53.0
279.00040	6.7
279.03851	19.8
279.07504	4.9
287.06427	1.5
292.98618	23.2
297.01059	6.3
297.04880	9.4
297.08517	5.2
321.05231	2.1
333.98511	2.7
335.10196	1.9
338.96808	1.9
339.05923	6.4
339.11926	5.4
357.13098	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05265	3.0
55.05512	22.7
57.07082	22.8
60.04532	31.5
64.64143	2.3
67.05508	13.7
69.07076	29.0
70.06559	3.7
70.08985	9.5
71.08631	9.6
79.05501	12.2
81.07064	25.3
83.08616	29.2
85.06540	2.9
85.10168	2.6
86.06077	2.9
91.05482	10.3
93.07069	15.5
95.08608	29.0
97.06547	5.4
97.10164	19.7
100.07608	5.9
105.07052	21.5
107.00392	2.6
107.08605	19.5
109.10149	23.1
111.08165	3.7
111.11722	10.0
114.09148	4.7
119.08578	20.5
121.10143	17.9
123.11729	12.7
125.09646	5.6
128.10712	3.8
133.10129	17.5
135.11688	10.7
139.11163	2.8
141.30968	2.6
147.10539	2.7
147.11702	60.4
149.13361	6.0
161.13225	7.7
203.17972	100.0
250.22513	3.0
262.21674	67.6
267.45236	2.5
303.30453	11.3
321.21808	4.7
321.25409	73.6
321.31168	16.9
338.27957	4.6
338.34167	62.5
339.26843	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	338.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.8
57.07086	2.9
58.22786	1.3
67.05506	11.5
67.83067	1.5
69.07079	8.2
70.18351	4.4
71.08628	1.8
79.05497	10.6
81.07059	19.8
83.08630	3.4
85.20221	1.2
91.05478	13.1
93.07044	25.0
95.04974	1.5
95.08613	29.1
96.08916	2.1
97.10130	2.0
105.07031	29.2
107.08603	36.3
109.10153	13.1
115.05489	2.2
117.07011	9.2
119.08578	30.1
121.10148	25.4
123.08113	1.6
123.11715	5.6
128.06261	1.4
129.07030	4.1
130.07784	4.6
131.08577	26.1
133.10109	10.8
135.11734	4.7
143.08598	3.1
144.09337	3.6
145.10130	74.7
147.11700	3.5
149.13264	1.9
157.10146	3.5
158.10899	3.1
159.11700	36.9
159.66176	1.2
161.13261	2.8
173.13277	12.6
175.14870	2.0
177.16377	1.8
191.17944	2.0
192.80693	1.4
201.16386	100.0
219.17432	22.3
287.81131	1.3
312.16422	1.5
338.27713	5.1
338.34225	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	338.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.5
55.05507	3.9
57.03432	5.0
60.73224	1.5
63.02435	1.4
67.05524	7.3
69.03426	5.2
69.07063	2.5
71.54007	3.4
76.05249	1.8
79.05483	7.3
81.03428	2.5
81.07058	100.0
85.02905	16.0
91.05520	3.3
93.07035	3.8
95.08607	46.8
97.02895	2.8
97.06503	2.3
99.04447	2.7
99.08095	89.6
105.07008	3.7
110.02741	3.2
113.09676	1.8
115.07580	1.4
123.08070	51.9
123.11687	3.1
127.03916	3.1
141.09108	81.2
141.12688	3.2
147.04451	2.4
152.61104	1.6
159.10184	27.4
247.21193	1.8
254.18509	1.7
338.07892	1.6
338.15939	1.8
339.08676	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	337.2374
Annotation	hepoxilin B3
Peak:m/z	Relative Intensity
53.03932	2.8
55.01874	15.3
55.05511	20.7
57.03444	26.2
59.05003	17.9
60.14104	1.9
61.02921	4.7
65.03938	3.6
67.05504	12.2
69.03437	12.3
69.07069	64.2
69.75811	9.6
71.01342	2.0
71.05000	15.6
73.06550	5.8
79.05495	18.0
81.03405	2.3
81.07068	28.4
83.04970	6.2
83.08618	24.4
85.02905	8.7
85.06541	21.4
87.04454	8.6
91.05479	13.2
93.07069	26.7
95.04964	10.2
95.08620	21.0
97.06538	36.7
97.10216	2.6
99.04469	3.6
99.08099	6.7
101.05966	2.4
101.09679	2.3
105.07040	19.5
107.08601	44.6
109.06484	12.7
109.10155	16.4
111.04468	3.5
111.08091	15.6
113.09638	6.7
115.07568	3.3
117.07043	2.3
117.16037	2.1
119.08595	17.1
121.02872	10.0
121.06496	4.3
121.10162	19.4
122.06020	2.5
123.08073	29.9
123.11720	6.6
125.09641	16.9
126.09155	6.9
127.03904	5.0
127.07577	4.6
128.04277	2.6
129.09129	39.4
130.06555	4.4
131.08575	8.4
133.10123	17.8
135.08046	8.1
135.11693	13.1
137.09634	12.6
139.03879	3.4
139.11188	50.2
141.09068	3.7
143.08548	2.9
145.10127	11.1
147.08040	2.6
147.11694	9.0
149.09625	7.8
149.13214	2.8
150.05534	2.2
151.11176	14.2
153.09113	23.4
153.12781	4.4
155.10681	14.6
157.10126	6.8
157.12248	5.7
159.11714	9.8
161.09627	6.6
161.48076	2.1
163.11209	11.1
165.12790	4.8
166.04993	9.9
167.10677	26.1
169.12247	4.3
171.11700	5.7
173.13281	24.0
175.11220	3.7
177.12720	7.4
179.10619	4.8
179.14244	4.4
181.12247	86.4
185.13280	3.7
187.14868	4.8
189.12808	3.2
191.14250	4.3
193.12428	2.1
193.15900	3.2
194.04501	5.6
201.16376	4.2
203.14284	10.6
205.05019	7.1
205.12352	4.6
205.15865	15.3
211.14923	3.6
212.05614	3.5
217.15977	2.7
219.17441	3.8
221.15379	9.1
229.15909	8.8
231.17336	2.4
235.16971	24.1
245.18903	5.2
247.16917	12.3
247.80539	2.1
249.18474	2.6
259.06042	3.0
261.18539	4.7
263.20108	4.5
265.18195	2.4
267.75037	2.2
269.18979	3.2
271.06100	2.4
279.19595	9.9
283.18982	2.9
287.20239	7.2
287.54745	2.0
294.05231	3.1
301.11856	9.6
305.21088	29.3
308.06918	3.1
319.13025	6.0
319.22684	3.1
337.06973	24.2
337.13931	7.1
337.23761	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75870	1.1
51.81725	1.0
53.03947	1.3
55.05514	32.5
57.07076	22.7
57.80849	1.2
59.09652	1.1
67.05501	4.1
69.03426	5.0
69.07072	28.0
71.04977	2.1
71.08635	4.0
71.53565	1.5
74.29330	1.1
79.05495	4.1
81.03411	2.1
81.07059	14.0
83.04976	3.8
83.08623	100.0
85.02914	6.8
85.06531	2.6
87.08107	1.9
91.05484	4.2
93.07064	8.8
95.04981	5.4
95.08613	5.7
97.02882	2.0
97.06520	2.4
97.10173	22.0
98.97554	1.2
101.09641	2.0
105.07056	6.0
107.08594	9.1
108.70765	1.3
109.02876	1.9
109.06509	3.2
109.10142	4.6
111.08097	2.2
113.13325	1.3
115.19092	1.3
116.54030	1.3
119.08574	5.2
121.06527	1.6
121.10129	5.7
123.08062	1.3
123.11695	2.1
125.09692	1.7
126.51920	1.2
127.03880	1.3
131.08582	1.6
133.10117	4.1
135.08089	3.4
135.11700	3.4
137.09578	2.3
139.14812	3.4
143.08481	1.5
145.10109	5.2
147.11696	3.8
149.09685	2.2
157.10162	1.9
157.15886	29.3
159.11664	4.8
161.09631	2.5
161.13249	1.4
163.03883	1.4
163.07672	1.4
163.11206	3.6
165.12744	2.0
167.10500	1.2
167.61346	1.6
173.13286	2.2
175.11157	1.6
175.14822	1.3
175.16939	12.1
176.14308	1.5
181.10304	1.2
263.05585	1.6
281.07910	1.4
301.21613	2.5
319.22684	3.5
337.06406	2.9
337.15961	2.6
337.23773	3.6
353.55032	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.6
65.03947	2.5
67.05486	7.6
69.07053	11.6
71.53782	4.3
75.04477	6.6
79.05489	7.5
81.07056	19.2
83.08631	3.1
91.05472	11.3
93.07034	13.0
95.04975	4.7
95.08603	12.9
97.10161	5.4
105.07036	46.0
107.08577	15.2
109.06513	9.5
109.10156	8.6
115.05415	3.6
117.05523	18.1
117.07027	13.9
119.08600	21.2
121.06522	3.5
121.10158	6.2
123.11668	3.3
128.01683	2.9
128.06221	8.2
129.06998	12.7
131.08575	14.0
133.10110	8.6
137.13252	3.3
142.07809	15.8
143.08591	35.4
145.10120	18.9
147.11707	7.9
151.11220	3.1
157.10135	64.9
159.11696	30.6
161.09700	3.9
161.13258	28.6
169.10126	3.3
170.10942	2.9
171.11639	6.1
184.12373	2.9
187.14723	4.0
189.16374	6.5
199.14844	100.0
217.15884	27.2
259.16873	3.4
277.18054	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	337.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24375	0.3
52.86890	0.3
55.95768	0.3
56.96567	50.4
57.03436	1.0
61.02932	2.1
68.96587	0.7
69.03431	0.5
69.92326	1.0
70.98125	34.4
71.95266	4.4
72.96049	2.5
73.02929	0.8
74.97598	1.2
81.03414	0.4
84.95522	0.4
84.96039	6.5
85.02924	1.2
86.95293	0.2
86.97585	0.9
87.00815	0.3
88.99163	12.3
97.02895	0.4
97.96831	0.5
98.97588	100.0
100.99149	1.8
101.00898	0.4
102.97050	0.4
107.00230	1.4
108.96056	0.4
110.97576	29.2
112.99135	8.5
113.00849	0.5
115.00717	2.6
115.02464	0.4
116.07104	0.6
116.98624	26.5
119.00189	0.8
119.01938	0.5
122.97543	0.4
124.95489	14.2
124.99114	1.6
126.97066	1.5
127.00677	1.0
127.03889	0.3
128.98613	38.1
131.00175	12.3
131.01773	0.4
133.01721	1.9
134.99669	4.4
138.97025	0.8
140.00220	0.5
140.98602	6.2
142.96536	8.1
143.00175	2.8
144.98106	1.8
145.01711	2.0
145.95270	0.4
146.08109	0.3
146.99658	29.2
147.04318	0.5
149.01233	9.1
151.02728	0.4
152.94936	7.9
152.98581	2.2
153.00632	0.4
154.96518	1.4
155.00169	0.6
155.97287	0.4
156.98090	4.7
157.01630	0.4
158.99664	16.2
160.02943	0.3
160.97578	1.7
161.01205	1.2
162.99121	0.8
163.02771	0.5
165.00728	8.8
167.02200	1.1
168.98117	0.6
170.01321	0.4
170.96024	25.7
170.99657	6.3
172.71625	0.3
172.97610	3.4
173.01230	3.4
173.02643	0.5
173.98349	0.6
174.99155	7.7
175.00673	0.5
175.02800	1.6
175.04192	0.3
177.00714	7.0
183.01648	0.5
184.97580	13.6
186.99174	3.9
187.02744	0.3
188.02422	0.6
188.97089	27.0
189.00713	23.8
189.02129	0.4
190.98618	2.1
191.02301	4.1
191.03957	0.3
193.00198	3.7
193.03845	0.8
193.97627	0.3
197.02902	0.6
198.99130	1.6
201.00745	2.6
201.02419	0.5
202.98637	16.9
203.02246	3.9
203.04028	0.5
205.00226	8.3
205.03847	0.9
206.98154	6.4
207.01773	10.3
209.03244	0.8
211.02756	0.4
211.98738	0.4
212.97073	10.5
214.98602	2.1
217.00220	8.6
217.02185	0.5
217.03835	1.0
218.03548	1.6
218.98373	0.5
219.01778	12.1
220.99710	7.9
221.03197	0.5
223.01273	3.5
224.99168	0.7
225.02740	0.7
226.98648	0.8
227.04025	1.3
229.03815	0.4
230.03305	0.4
230.98129	30.1
232.99771	2.5
233.03305	0.9
234.06677	0.6
235.01210	5.7
235.04889	0.4
237.02811	8.3
237.05161	0.5
239.00662	1.0
244.99699	33.6
247.01147	2.4
247.03397	0.3
248.99168	7.7
249.02786	5.3
253.02324	0.5
253.99773	0.8
255.03795	0.4
258.03137	0.3
259.01205	0.5
263.00757	55.2
264.01105	0.7
265.02203	0.6
267.03879	1.9
269.05414	0.3
277.02261	22.3
277.05872	10.5
278.02615	0.3
280.98993	0.5
281.01880	4.9
281.05133	0.6
286.02374	1.7
295.03372	4.7
295.06952	21.5
305.01785	7.3
315.01831	0.5
318.08673	0.3
323.02783	0.5
337.04269	3.3
337.08173	22.7
338.08655	0.5
355.09061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0895
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
55.41965	1.3
63.82535	1.1
66.35016	1.2
69.46231	7.7
77.56566	1.1
84.32755	1.1
98.20706	1.9
98.97573	1.8
101.00836	1.2
143.01924	1.4
157.03366	1.6
162.99934	1.2
277.07693	4.7
290.26947	1.3
295.08731	4.8
337.08957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38348	0.8
56.96567	40.6
57.20837	0.9
70.76115	1.2
70.76426	1.4
70.97737	1.5
70.98125	31.4
71.95259	3.2
72.96049	1.8
73.19032	0.7
74.97610	1.0
84.96049	5.6
88.99162	10.8
98.97588	100.0
100.99129	1.2
110.96844	1.7
110.97578	26.6
112.99117	6.5
115.00704	2.7
116.98627	24.6
124.95479	13.6
124.99088	1.1
126.97047	1.5
127.00688	1.9
128.98608	35.1
131.00162	9.0
133.01720	2.7
134.99672	2.9
140.98602	6.1
142.96501	7.2
143.00142	2.5
144.98071	1.6
145.01744	0.9
146.99652	25.7
149.01228	5.9
152.94968	9.6
152.98563	2.8
154.96512	1.6
155.00145	0.9
156.98048	5.1
158.99664	20.2
161.01224	1.1
165.00719	9.0
170.96016	26.5
170.99615	6.9
172.97563	2.7
173.01320	2.1
174.99144	7.7
175.02879	1.7
177.00694	6.1
184.97594	11.9
186.99178	3.9
187.99005	1.0
188.97075	22.0
189.00722	22.6
190.98555	1.8
191.02208	2.7
193.00214	3.7
198.99135	1.6
201.00740	2.6
202.98651	16.1
203.02303	3.0
205.00214	9.1
206.98146	6.8
207.01765	11.3
210.97984	0.9
212.97081	10.0
214.98689	2.7
217.00218	8.9
219.01790	13.5
220.99734	8.4
223.01254	3.5
230.98141	28.5
232.99808	1.7
235.01198	6.2
237.02844	9.2
239.00809	1.7
244.99701	32.7
246.00583	0.9
247.01285	2.5
248.99208	8.0
249.02733	4.8
263.00763	51.8
267.03906	2.4
277.02310	20.7
277.05911	12.4
281.01794	5.8
286.02249	1.6
295.03433	5.4
295.06973	29.7
305.01843	5.6
337.04391	2.0
337.08057	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.05511	11.3
61.02933	1.9
67.05485	1.4
69.03430	2.1
69.07068	69.1
73.45789	1.3
81.07035	2.3
83.79671	1.2
85.02898	7.5
85.12286	1.5
91.05504	1.7
93.07033	1.7
95.08620	13.9
97.02895	3.6
97.06507	1.7
97.10173	1.8
107.55167	1.2
111.11721	61.1
118.06570	2.0
121.10160	5.2
122.27927	1.2
128.87276	1.3
136.98746	1.3
139.11182	71.9
157.12239	100.0
176.14355	8.7
180.67107	1.4
207.44246	1.5
290.17453	6.5
336.18021	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	335.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83270	1.6
54.10027	1.5
55.05508	11.0
57.02527	1.6
57.07081	3.0
59.25445	1.9
59.82296	1.7
67.05520	17.7
69.03432	4.2
69.07070	13.9
71.05002	3.5
71.54310	1.9
79.05495	11.4
81.03402	2.6
81.07063	50.6
83.04990	18.4
83.08617	8.5
85.06538	6.5
91.03963	1.7
91.05470	14.9
92.56261	1.7
93.07053	32.1
95.04991	4.3
95.08613	36.3
97.02889	3.6
97.06548	6.7
97.10197	1.8
99.04485	5.6
103.70342	1.6
105.07037	52.0
105.10168	1.7
107.08604	38.1
107.09311	2.9
109.06526	20.0
109.10164	28.2
111.08063	2.6
111.11695	2.4
114.11169	1.7
117.07079	2.6
119.04950	1.8
119.08585	29.4
119.70485	1.7
121.06544	2.8
121.10152	32.0
123.08061	6.8
123.11701	32.3
127.07581	5.9
131.08591	5.5
133.06506	3.0
133.10143	22.7
135.08067	3.3
135.11711	27.8
137.09647	4.7
137.13284	4.4
139.11234	2.5
145.10129	7.6
147.07916	2.0
147.11697	100.0
149.09630	15.7
149.13275	7.6
151.07541	2.0
151.11180	16.5
153.12807	2.3
157.10124	3.4
159.11737	4.3
161.13290	7.7
163.11073	2.3
163.14818	4.2
165.09131	6.3
165.12766	71.4
167.10677	1.9
171.11749	2.7
173.13364	3.1
175.11165	10.1
175.14839	4.8
177.12752	1.8
177.16423	4.4
179.14320	2.3
183.13884	2.4
187.14877	3.2
189.12689	2.1
191.14209	3.7
191.17987	2.4
193.12257	82.5
195.13759	2.2
199.14845	3.1
201.16420	2.4
203.18019	6.5
207.13815	2.9
211.13284	4.5
229.14363	67.0
257.22552	2.0
275.23599	2.6
289.25302	4.9
293.24756	2.2
299.23697	3.1
317.21112	3.6
317.24771	43.5
335.22128	4.7
335.25797	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	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03939	1.9
55.05275	1.6
55.05516	18.2
57.03445	19.2
65.03931	2.2
67.05509	65.1
69.07072	14.1
71.27061	2.5
71.27433	3.5
79.05498	28.4
81.07060	57.8
83.04973	1.6
83.08612	6.1
91.05486	14.5
93.07046	33.9
95.04964	3.0
95.08610	45.7
97.06512	2.4
97.10176	4.3
105.07023	9.9
107.08611	18.0
109.06497	1.8
109.10167	20.5
117.06986	4.0
119.08582	9.2
121.10158	10.6
123.05374	1.6
123.11700	7.4
128.87288	1.5
131.08597	8.3
133.10123	6.2
135.11723	9.7
137.13260	4.0
138.34917	1.5
139.11356	1.7
145.10135	4.6
147.11678	5.4
149.13248	5.2
159.11726	4.0
161.13225	3.3
163.14903	3.2
169.58920	1.7
173.13245	4.1
187.14832	2.7
240.68364	1.8
243.21246	1.8
253.36362	1.8
261.22095	4.8
335.25809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03935	2.9
53.70722	0.7
55.05519	19.1
57.03441	17.4
57.07066	1.8
65.03938	2.2
67.05510	66.0
69.07075	16.4
70.07444	2.2
70.07828	1.1
70.21105	0.7
71.04997	1.4
71.08624	0.6
76.15728	0.6
79.05499	34.9
81.03406	0.6
81.07063	62.3
83.04990	1.7
83.08636	5.8
85.06541	1.3
91.05489	16.6
93.07053	35.8
95.04969	2.7
95.08616	44.5
97.06530	2.0
97.10188	1.8
99.08093	1.2
105.04532	0.8
105.06396	0.9
105.07044	11.6
107.08606	16.8
109.06514	1.2
109.10168	16.8
111.08085	1.0
117.07015	2.8
119.08598	8.9
121.10150	14.4
123.08089	1.5
123.11716	6.9
131.08572	5.6
133.10143	5.7
135.11713	8.2
137.09573	1.2
137.13254	1.7
145.10129	4.2
147.11702	3.2
149.13287	4.8
151.11212	1.0
159.11708	2.9
161.13266	2.5
163.14815	1.9
173.13226	3.3
175.14833	2.0
187.14830	2.1
193.24422	0.6
201.16385	0.9
243.21049	2.3
256.62738	0.6
261.22131	5.3
265.92862	0.6
299.12698	0.6
317.24609	0.9
335.25824	100.0
336.26184	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03933	2.6
55.01849	1.0
55.05269	0.9
55.05514	15.0
57.03441	17.5
57.07063	2.2
65.03946	3.3
67.05507	68.3
69.03424	1.3
69.06725	1.1
69.07070	13.1
69.29026	1.2
69.29430	4.7
71.04974	2.2
74.59312	0.6
79.05497	33.6
81.07059	58.9
83.04984	1.6
83.08627	6.2
85.06537	1.2
89.06060	0.8
91.05484	16.2
93.07047	35.9
95.04937	3.3
95.08611	43.8
97.06533	2.3
97.10157	2.1
99.08092	1.0
105.04516	1.4
105.06392	1.0
105.07037	11.7
107.08593	16.4
109.06501	1.0
109.10159	19.3
110.50066	0.7
111.08073	1.5
117.07011	3.2
119.08593	11.2
121.10147	16.6
123.08048	1.6
123.11729	6.7
129.06982	0.6
131.08591	6.8
133.10147	8.8
135.08101	1.1
135.11702	9.6
137.13266	1.7
142.23474	0.6
143.08629	1.3
145.10129	6.2
147.11662	4.1
149.13272	5.8
156.09409	1.0
157.10141	1.2
158.08829	0.8
159.11703	3.7
161.13255	3.9
163.14815	2.0
171.11740	1.2
173.13264	4.8
175.14861	1.4
177.16324	0.8
183.11681	0.8
187.14766	1.5
195.11899	0.9
197.13174	0.8
243.21126	3.3
245.09009	0.6
261.22122	5.0
277.19406	0.8
317.24753	1.7
335.25815	100.0
336.26202	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2219
Annotation	5,20-diHEPE
Peak:m/z	Relative Intensity
53.03941	10.3
55.05515	33.8
57.03419	9.7
67.05513	46.8
69.03417	19.4
69.07064	27.6
71.04983	8.9
71.53249	9.1
72.04263	8.4
72.72857	7.2
73.28478	6.1
75.03128	6.3
79.05492	47.2
81.07059	81.7
83.04955	13.8
83.08596	12.8
91.05488	63.5
93.07061	67.1
95.04968	24.9
95.08611	69.1
97.06545	15.6
105.07030	100.0
107.04958	12.4
107.08591	79.8
109.06519	31.7
109.10145	45.9
111.08099	9.1
113.06023	16.4
115.05433	8.5
117.06999	14.8
119.08591	98.4
121.06487	43.7
121.10150	52.0
123.08042	28.3
123.11700	17.3
125.09679	8.2
128.06247	8.5
129.07025	13.8
131.08571	49.1
133.06445	14.8
133.10112	51.3
135.08041	39.1
135.11687	19.0
137.09587	23.4
140.22755	9.0
141.06973	8.7
142.07782	14.9
143.08533	35.6
145.10124	65.7
147.08035	26.5
147.11685	64.6
149.09612	25.9
149.13220	11.1
151.07524	13.5
151.11211	12.7
155.08568	23.0
157.10156	42.7
159.08078	14.8
159.11691	52.6
161.05966	8.4
161.09610	20.5
161.13271	25.3
163.11191	38.3
165.09062	11.5
169.10115	31.1
171.11714	24.9
173.09627	16.4
173.13249	33.8
175.11156	16.6
175.14822	11.4
177.12720	12.2
179.08585	7.9
182.10822	8.8
183.11705	20.7
185.09708	9.7
185.13260	27.3
187.11189	21.4
187.14864	12.0
189.12762	53.9
189.16388	9.0
189.30562	6.9
193.12079	9.7
195.11740	8.1
197.13248	21.0
199.11276	9.1
199.14856	31.1
201.12737	28.0
203.14314	10.7
209.13382	11.4
211.14961	9.5
217.15845	14.3
219.13837	11.4
225.12785	7.0
239.17957	9.3
243.17514	9.3
245.15363	9.8
245.19083	15.9
253.19473	12.5
257.18933	12.4
269.18964	14.6
271.20554	17.1
275.20154	8.7
281.18912	15.3
287.20129	9.7
299.20096	47.1
317.21326	39.5
317.24539	11.9
335.18475	8.3
335.22144	34.8
335.25824	9.5
335.29733	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	335.2218
Annotation	5,20-diHEPE
Peak:m/z	Relative Intensity
53.03949	5.0
55.01875	5.4
55.05511	19.7
57.03444	4.2
57.07074	10.6
63.11699	3.0
65.03936	3.7
67.05509	29.2
69.03432	8.0
69.07059	14.1
70.06588	10.6
70.22004	7.8
70.22366	6.4
71.04992	5.7
71.06967	3.3
79.05489	38.9
81.07059	100.0
83.04972	5.4
83.08595	4.3
85.06502	4.4
86.09679	3.0
88.07633	6.3
89.83933	2.9
91.05486	32.0
91.73660	3.6
92.96310	3.9
93.07046	47.4
95.04981	16.8
95.08616	44.9
97.06526	9.3
99.04446	5.1
105.07035	53.0
107.07945	5.9
107.08601	41.5
109.06519	12.5
109.10155	21.7
111.08083	8.3
113.06010	3.3
117.06999	16.6
119.08590	43.8
121.06509	25.4
121.10139	27.1
123.08076	13.2
123.11720	11.2
125.09631	4.4
128.04720	3.3
128.06226	10.3
129.06995	17.5
131.08588	36.5
133.06496	9.6
133.10146	18.8
133.82632	3.2
135.08054	19.7
135.11691	6.0
137.09641	4.5
141.02592	3.5
141.07013	7.9
142.07787	11.2
143.08566	43.8
144.09251	4.8
145.06526	6.8
145.10123	36.5
146.11806	3.8
147.08025	16.3
147.11742	14.7
147.70903	2.9
149.09610	18.2
151.07477	4.7
151.11188	4.5
153.07007	5.3
154.07822	5.2
155.08557	23.0
156.09358	10.8
157.10123	32.8
159.08032	14.2
159.11708	32.3
161.09572	15.3
161.13228	8.0
163.11205	7.3
165.06972	6.5
165.12738	8.8
166.07823	3.8
167.08517	7.9
168.09326	6.4
169.10132	30.7
170.10985	4.3
171.08058	10.3
171.11696	26.7
173.09601	13.8
173.13272	13.5
175.11212	15.2
175.14818	5.2
177.12708	7.8
179.08640	4.2
181.10106	10.9
182.10870	10.0
183.11711	26.3
185.09688	9.9
185.13222	19.0
187.11171	14.5
187.14798	11.3
189.12749	7.5
192.71687	3.6
193.10133	5.7
194.10960	5.1
195.11632	20.5
197.09637	3.4
197.13307	35.7
199.11136	13.1
199.14780	20.1
201.12738	9.5
201.16408	6.4
203.14314	4.6
207.11742	9.6
209.13242	12.6
210.10374	3.4
211.11241	4.0
211.14816	13.0
213.12756	11.9
213.16554	3.7
215.14297	10.4
217.15852	6.7
221.13235	7.5
223.14833	6.1
225.12762	13.1
225.16371	7.3
227.14345	7.2
229.23553	9.4
234.13725	3.6
239.14404	6.8
239.17897	7.7
241.15837	7.2
241.19524	5.7
243.13803	10.2
243.17484	5.3
251.17952	11.2
253.19586	19.8
257.19037	4.9
261.14929	3.4
261.18497	4.9
269.19058	12.8
270.19873	3.7
271.20566	21.9
273.26221	29.0
281.18979	25.3
287.19937	15.9
290.07010	3.5
299.20087	29.0
317.21097	25.9
335.22150	34.6
335.25964	7.6
335.29843	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2217
Annotation	5,20-diHEPE
Peak:m/z	Relative Intensity
53.03947	4.2
55.05518	21.1
59.04957	2.7
60.04514	3.4
64.95763	3.5
67.05492	15.5
69.07053	8.0
71.53487	6.0
75.78059	3.0
75.92668	3.6
79.05499	30.1
81.07062	100.0
81.07529	8.2
83.04957	3.9
83.08627	5.9
85.02879	3.3
91.05468	18.2
93.07057	33.0
95.04970	9.4
95.08612	34.2
97.06538	10.0
97.10168	22.4
99.04443	5.9
105.07037	30.0
107.08612	30.2
109.06507	13.5
109.10151	13.4
111.08070	5.0
117.07024	9.3
119.08606	30.6
121.06519	11.3
121.10143	13.6
123.08049	10.8
123.11694	4.7
125.09651	4.2
131.08568	20.4
133.06502	3.8
133.10110	20.1
133.40392	3.9
135.08029	14.0
135.11649	11.2
142.07806	4.4
143.08517	14.9
145.10138	18.1
147.08055	9.8
147.11668	14.3
149.09657	8.4
155.08591	7.5
157.10127	14.1
157.12242	10.2
159.11693	17.5
161.09596	8.3
161.13258	11.4
163.11209	8.9
165.12766	3.6
169.10133	10.4
171.11650	10.5
173.09679	6.4
173.13261	10.5
175.11139	7.5
177.12785	3.5
181.10118	4.5
183.11769	8.6
185.13300	10.3
187.11243	6.8
187.14774	7.3
189.12735	10.0
193.10066	3.2
194.10851	3.2
197.13216	6.9
199.11133	3.6
199.14880	7.6
201.12849	3.5
201.16238	3.9
203.10594	3.4
203.14462	4.3
205.12244	5.5
207.11658	3.4
207.13849	3.0
211.14729	5.2
213.12675	4.7
215.14320	7.4
215.34090	3.4
217.15924	3.9
225.16609	3.6
227.17903	3.6
239.17877	5.0
245.15268	9.7
245.18883	4.7
253.19551	7.5
269.19077	8.8
271.20596	6.8
281.19006	9.9
286.29102	4.0
287.20126	9.1
299.20200	22.3
317.21136	48.8
317.24609	6.2
335.18668	4.3
335.22003	17.7
335.25790	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	335.2217
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
53.03951	2.5
55.01862	4.3
55.05513	12.6
57.03439	12.3
59.04993	3.0
61.02913	9.2
67.05241	1.9
67.05506	21.2
69.03435	40.1
69.07075	12.6
69.45733	9.4
69.46140	4.9
70.57343	2.0
71.04987	4.9
71.08603	3.7
72.08154	3.3
73.02929	2.6
75.75114	1.8
79.05495	17.1
81.03424	16.8
81.07066	48.1
83.04974	8.2
83.08625	4.1
85.02912	23.7
85.06541	3.5
86.09713	2.9
87.04474	24.8
91.03953	8.1
91.05487	19.4
93.07047	35.5
95.04979	11.8
95.08613	61.1
97.02898	23.7
97.06549	5.1
97.10194	3.8
99.04478	3.0
99.08090	4.7
101.06036	2.6
105.07049	32.6
107.04942	4.1
107.08602	25.2
109.02853	2.6
109.06512	9.3
109.10169	30.9
111.04454	16.5
111.08101	4.1
115.03949	24.5
117.07015	10.4
119.08582	32.4
121.06512	7.1
121.10152	20.6
123.04440	3.7
123.08072	7.2
123.11713	20.4
125.05958	2.2
125.09615	3.9
129.06989	6.6
130.07697	2.2
131.08575	21.1
133.04991	15.3
133.06535	2.6
133.10127	28.2
135.04427	2.1
135.08043	8.1
135.11707	19.8
137.05992	2.9
137.09612	8.6
137.13271	4.8
139.07582	3.6
141.05470	2.2
143.08566	10.9
145.06502	2.5
145.10129	33.3
147.06520	2.6
147.08046	4.9
147.11700	25.6
149.09657	5.4
149.13297	12.3
151.11140	2.7
155.08540	3.9
156.09363	2.2
157.08995	2.4
157.10129	11.8
159.06621	3.8
159.08029	2.9
159.11685	17.9
161.09618	8.1
161.13255	19.1
163.11212	5.1
163.14845	4.7
169.10091	6.1
171.11708	13.6
173.08142	2.6
173.09583	4.4
173.13293	11.1
175.11162	5.1
177.16269	2.2
181.10292	2.0
183.11682	7.1
185.09566	3.0
185.13226	11.5
187.11270	4.7
187.14841	25.0
189.12743	3.0
189.16408	21.9
191.10641	6.1
195.11801	2.8
197.13303	3.1
199.14822	3.1
201.16341	15.8
203.17924	15.2
205.75671	2.3
209.11734	3.3
213.16414	10.5
215.17946	11.4
217.15919	2.0
221.13271	3.4
225.16444	3.3
227.12756	8.6
227.17946	8.1
229.15930	2.2
243.17432	7.1
245.19012	19.4
251.17937	3.3
253.19670	2.9
269.19080	2.9
271.20862	2.5
281.19000	7.3
287.20129	6.7
289.18277	3.6
289.21548	2.6
299.20007	18.8
317.17764	3.0
317.21155	14.9
335.18607	5.7
335.22177	100.0
335.25577	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	335.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.01862	3.3
55.05507	2.6
56.96530	1.1
57.03441	8.0
59.05001	10.1
61.02922	4.3
67.05504	1.9
69.03434	41.2
69.07056	2.3
70.51627	1.2
71.01357	1.2
71.05002	6.6
71.52372	1.2
73.02929	2.4
79.05498	1.8
81.03420	18.0
81.07064	2.8
82.52130	1.2
83.01334	1.3
83.04963	1.3
85.02912	96.3
85.06538	2.3
87.04478	32.9
87.96065	1.3
91.05501	1.6
93.07046	3.1
93.37645	1.3
95.04960	1.2
95.08627	2.5
97.02901	20.7
97.06557	2.2
99.04462	10.0
103.03944	2.5
105.07047	1.8
109.02879	17.0
109.06546	1.4
109.10172	2.5
111.08047	1.6
113.05978	2.7
115.03944	28.4
121.02859	2.4
121.10168	2.1
124.07560	1.5
125.09602	1.7
127.03925	66.7
129.05476	1.4
130.06528	1.5
131.08585	1.5
142.08594	2.3
143.07045	7.2
145.04974	18.2
145.10139	1.6
155.07060	2.9
155.10640	2.0
166.04965	1.3
167.07050	3.5
173.07057	2.1
174.07841	9.0
185.08102	3.6
203.11803	100.0
241.07076	3.3
257.09418	1.3
259.08145	5.3
264.10962	1.5
271.10840	2.3
273.12204	1.9
287.10361	8.6
289.06787	1.7
299.10629	2.7
300.21872	1.3
317.11636	11.1
335.12372	5.6
335.16037	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	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
53.22213	0.9
54.03098	1.0
55.05504	1.3
57.03460	1.0
65.03938	2.3
67.05508	4.7
69.07072	100.0
71.32906	1.3
71.33285	0.9
74.15454	0.9
79.05487	2.0
80.05040	1.5
81.07055	11.3
85.02889	1.0
91.05480	1.3
92.04993	4.4
93.07050	1.7
94.06551	4.0
95.04983	2.0
95.08595	3.9
97.06536	18.4
105.07013	1.8
107.08562	1.2
109.06522	1.9
111.11729	2.0
119.08621	1.3
121.05294	0.9
121.06504	0.9
122.06032	8.7
124.07584	2.6
125.05954	1.5
129.66652	1.0
131.08563	1.1
137.06007	3.1
137.13251	1.9
138.05525	7.5
140.07068	8.9
142.08626	1.5
143.07419	1.3
144.08101	2.0
145.08870	2.8
145.10123	2.6
146.09642	3.7
148.03931	3.6
150.05516	86.7
155.14255	1.8
157.08865	2.3
157.10181	1.3
158.09663	1.4
159.10468	1.2
161.08351	3.0
162.09149	2.1
163.05022	1.2
164.03424	1.7
165.04221	1.6
166.05017	26.6
168.06601	2.0
172.07550	1.7
172.11263	5.0
173.08400	2.3
173.15352	2.1
174.12827	7.0
176.03418	7.2
178.05016	2.6
182.09665	1.0
185.08488	1.2
186.07635	2.2
186.09169	1.4
187.10097	1.1
188.10727	1.7
190.12274	3.8
192.02888	1.2
194.04497	2.9
198.07796	2.3
199.06300	1.1
200.10765	8.0
202.12248	8.0
204.10185	1.2
213.10127	1.2
216.10168	5.2
218.11777	30.7
226.08838	1.2
228.10225	16.8
229.13377	1.4
234.11221	3.6
243.11238	1.3
244.09734	2.8
245.12965	2.0
246.11292	24.4
247.25471	0.9
255.11188	1.5
256.09738	2.1
257.09250	1.6
261.08728	1.8
261.12418	1.5
271.10770	4.6
272.09152	4.6
273.12323	3.6
274.10727	3.7
287.10321	7.8
287.17331	1.0
289.11813	10.9
290.10162	2.4
291.13409	1.3
299.10239	6.8
317.11349	32.4
318.09671	1.0
335.12372	35.8
335.22095	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	66.9
69.03421	1.3
70.52497	1.5
70.52863	4.1
70.98127	64.4
74.87442	1.2
74.97608	2.2
75.10710	1.3
84.96017	4.0
85.02897	1.4
88.99174	16.0
91.05504	4.2
97.02930	1.3
98.97592	40.4
99.97946	2.4
101.00871	3.3
110.97591	4.2
112.99138	1.8
113.00897	1.2
115.00724	2.4
115.02428	1.4
116.98631	13.6
119.01927	2.1
119.04941	5.5
124.99123	2.8
127.00719	1.5
128.98616	31.5
131.00215	1.9
131.01909	2.2
134.99606	2.3
143.00166	2.7
143.01875	2.0
145.01704	1.7
146.99663	36.2
147.04414	15.1
148.04684	2.0
151.46983	1.4
154.93159	1.9
154.96536	45.5
155.00082	1.5
158.99673	4.5
161.22948	1.3
165.00769	9.3
170.96001	1.7
172.97601	100.0
173.01091	6.0
173.06639	1.4
177.00792	2.1
181.97934	1.5
182.96088	2.8
185.06540	1.4
186.99232	6.4
188.97154	1.8
189.00681	1.7
190.98659	71.9
191.02296	6.7
200.97067	16.3
201.00815	1.4
202.38467	1.3
204.98463	2.5
205.00237	30.2
206.89069	1.5
208.99715	5.6
213.00607	2.2
214.98630	24.3
215.04048	1.5
218.98140	26.3
219.01549	2.5
221.05161	1.3
223.01276	12.9
231.01895	2.7
232.99710	99.3
235.06456	1.7
236.99191	4.7
237.02814	2.2
239.02216	2.7
241.02559	1.4
247.01236	12.2
251.00777	35.5
253.07831	2.1
256.01294	1.5
260.99203	2.5
265.02338	2.4
269.01764	2.4
270.05768	3.0
275.00766	52.6
275.09662	2.3
292.98596	1.5
293.01804	44.1
293.04892	2.1
293.10806	3.2
294.05731	3.3
311.03000	2.1
311.06357	3.4
312.03769	1.8
312.07083	8.1
322.93735	1.6
335.07751	3.0
335.11511	3.1
353.08838	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.05510	7.0
57.07070	2.7
67.05504	21.8
69.07075	11.0
74.17137	1.9
79.05501	33.6
81.07061	100.0
83.08627	3.2
91.05500	12.4
93.07054	47.2
95.04946	2.4
95.08619	29.6
98.98485	2.5
104.79681	2.1
105.07040	22.9
107.08600	39.1
108.05750	2.9
109.06528	3.0
109.10157	20.4
111.08062	3.5
113.06016	3.1
117.07044	3.0
119.08598	16.2
121.06502	17.6
121.10143	15.3
122.07351	4.3
123.08076	30.8
123.11730	11.7
131.08572	18.1
133.10173	14.4
135.08067	2.7
135.11707	7.4
137.09598	16.8
137.13252	7.4
140.26512	2.0
142.44276	2.3
143.08553	5.2
145.10149	18.2
147.08032	3.6
147.11702	10.2
149.09605	7.7
149.13277	72.4
155.08592	3.1
157.10129	9.4
159.11723	11.0
161.09650	3.8
161.13341	3.5
163.11111	2.9
167.07108	11.3
169.10062	2.3
171.11694	9.3
173.13264	5.1
175.11157	4.6
177.12747	3.4
181.08623	9.6
183.11699	6.5
185.13330	5.4
187.11295	3.6
187.14804	13.9
189.12860	3.4
191.14282	4.4
197.13295	13.8
201.12819	3.5
201.16466	4.8
203.18011	2.3
207.10092	2.1
211.14853	7.3
213.16396	15.2
215.14346	7.2
215.17950	2.1
217.15846	2.7
221.11661	2.4
225.16280	2.1
229.16020	2.4
229.19484	4.5
243.13882	4.6
243.21132	4.3
253.19571	28.7
271.20569	61.1
289.21655	2.4
299.20087	32.3
317.21118	54.9
334.20267	4.6
335.25867	3.5
345.45831	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	334.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	4.4
60.72565	0.7
65.03948	0.9
69.03417	2.6
70.43416	0.6
70.53749	2.1
73.02946	0.7
75.63311	0.6
77.85612	0.6
79.05487	1.3
81.03407	0.8
81.07074	1.0
84.96053	1.0
85.02909	6.5
86.09697	0.8
91.03935	0.9
91.05481	2.4
94.04177	1.6
95.04949	1.0
97.02898	3.3
98.97596	7.5
98.98510	1.0
99.04437	0.8
101.01535	0.6
104.02399	0.6
107.04927	0.7
108.08067	0.6
110.06081	1.3
110.97609	1.2
116.98615	3.2
117.03344	0.6
117.36308	0.6
119.04945	3.2
122.03637	4.9
124.07600	2.3
127.03922	9.4
134.99622	0.9
135.04381	1.2
137.05981	100.0
139.03905	2.6
140.26396	0.6
143.00182	1.7
145.04985	1.0
147.04424	7.7
148.04778	1.2
152.07208	0.8
154.08655	0.8
158.99689	1.1
161.01146	1.3
163.03894	2.9
164.04176	1.1
164.77455	0.6
172.09714	3.3
177.00722	1.3
180.08687	0.9
182.99606	1.7
185.01436	0.8
198.22147	0.6
201.00732	2.4
219.01807	2.8
237.02847	1.3
269.05374	1.4
293.05493	2.9
311.06509	6.9
316.12308	0.8
332.61514	0.7
334.13168	1.4
345.65543	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
54.49948	0.5
55.01863	1.2
56.96567	0.8
57.03428	1.9
61.02927	3.0
69.03428	6.4
70.50699	1.4
70.51058	1.2
71.05000	0.8
73.02907	1.4
79.78764	0.6
81.03429	3.1
85.02907	28.8
86.09693	1.5
87.04466	1.1
90.09994	0.5
91.03946	1.2
91.05483	8.5
97.02903	7.6
97.25783	0.6
98.97561	1.2
98.98462	1.4
99.04462	1.2
100.62556	0.6
100.88641	0.6
109.02869	1.8
109.06571	0.6
119.04939	7.3
127.03912	5.2
137.05983	100.0
139.03954	0.7
145.04961	7.2
147.04428	2.1
151.58199	0.6
155.07040	12.2
163.03934	1.0
163.06012	1.3
172.09709	1.5
179.07059	1.5
180.08649	5.0
203.06876	1.1
221.09315	0.9
234.99066	1.2
255.29457	0.6
263.09277	0.9
267.01224	0.6
281.10236	0.8
311.06534	2.1
334.20337	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	17.5
57.02254	0.7
57.03426	0.8
61.02933	7.3
69.03413	0.9
69.47014	5.2
70.98119	1.7
71.95273	2.1
81.03429	1.0
82.06593	0.9
84.96049	12.0
85.02898	1.8
86.97604	0.8
89.50291	0.7
95.49399	0.9
97.02869	1.5
97.96808	3.5
98.97598	68.9
100.07654	2.3
100.24825	0.7
100.99157	0.9
101.00839	0.9
108.08130	1.9
109.02898	1.3
109.08465	0.9
109.71781	0.7
110.97599	5.1
112.99164	4.0
113.02395	0.7
115.97868	1.2
116.98640	18.6
119.01862	1.2
124.99139	9.4
127.03928	1.1
128.02351	1.7
128.98643	2.8
131.00200	4.1
134.29688	0.7
134.99672	3.9
136.99107	1.0
137.88733	0.7
139.00687	1.6
140.00142	0.8
140.98633	2.6
141.01321	0.8
141.99446	1.0
143.00188	13.0
144.98148	1.1
145.24838	0.7
146.99626	1.2
147.04393	0.9
150.01826	1.2
155.00180	3.5
156.98137	1.2
157.01733	4.0
158.99655	4.8
161.01253	3.0
164.80405	0.9
170.99614	1.2
171.04105	0.7
173.01270	5.3
174.99254	1.0
175.02756	1.7
177.00740	2.7
182.99661	1.8
184.02818	0.9
189.00804	1.3
189.02666	1.0
191.02327	3.5
192.02957	0.9
201.00797	3.0
202.03917	6.1
213.03453	2.7
215.02310	1.0
219.01727	5.5
220.04994	5.8
222.03952	1.5
226.02525	1.7
228.03979	1.9
233.03366	7.7
235.02869	2.8
236.55511	1.0
237.02858	3.0
238.05940	1.1
251.04431	16.3
258.06613	1.3
262.05792	0.9
269.05487	25.8
274.05930	2.4
276.07715	1.0
287.06570	3.8
292.07068	6.4
293.02725	1.1
293.05463	49.0
311.06543	100.0
316.07248	1.5
329.07584	3.7
334.08447	3.5
334.14163	1.0
335.08017	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.206
Annotation	Gibberellin A12
Peak:m/z	Relative Intensity
50.35915	1.2
54.98906	1.3
55.01865	1.8
55.05282	1.5
55.05513	11.7
57.07053	3.1
65.03935	2.5
67.05505	23.2
69.03438	6.6
69.07075	12.4
71.04982	1.9
71.43719	2.0
79.05495	12.6
81.03447	1.6
81.07059	35.7
83.04961	3.7
83.08620	6.4
91.05480	14.0
93.03403	1.6
93.07040	24.3
95.04964	4.6
95.08002	1.9
95.08612	34.8
97.06561	3.0
97.10165	3.7
98.98468	16.8
105.07034	27.1
107.04942	2.2
107.08615	21.3
109.06509	6.2
109.10151	26.6
111.08075	3.5
117.07023	5.7
119.08591	25.6
121.06503	25.8
121.10151	18.7
123.08077	21.9
123.11713	9.8
129.06990	3.3
131.08580	11.9
133.06500	3.9
133.10139	16.3
135.08057	7.8
135.11664	8.7
137.05954	4.2
137.09633	8.6
137.13260	3.5
139.03903	4.9
139.11223	1.4
141.07092	1.6
143.08601	10.1
145.10127	19.4
147.04497	1.4
147.08055	8.8
147.11690	23.1
149.09616	15.7
149.13261	3.8
151.03918	10.7
151.07573	6.0
151.11171	3.4
153.05510	1.5
153.09103	1.8
153.12679	2.1
155.08589	3.1
156.09322	2.3
157.10144	14.1
159.08063	3.9
159.11700	8.8
161.09631	10.4
161.13264	3.9
163.07596	3.0
163.11197	4.1
165.05508	8.7
165.09140	2.3
165.12788	2.8
167.07088	4.9
169.10143	3.2
171.08035	1.6
171.11661	7.6
173.09647	14.0
173.13287	5.3
175.11191	6.8
175.14781	2.3
176.98912	3.2
177.09155	1.5
177.12737	2.4
179.10753	2.1
181.10089	2.3
183.11728	4.0
185.09618	2.7
185.13264	8.5
187.11151	5.7
189.09065	1.6
189.12720	3.0
191.07120	1.5
191.14322	5.6
193.08658	2.4
193.12300	1.7
195.11708	5.7
197.13292	3.3
199.11259	3.8
199.14879	7.2
200.15704	1.7
201.12732	2.1
201.16383	6.5
203.14297	5.5
205.08604	1.7
207.10167	2.2
209.13278	3.5
211.14815	8.3
213.12691	7.3
217.08607	1.4
217.15894	6.8
219.10123	3.3
221.11736	1.5
223.14865	2.1
225.16342	2.2
227.14412	2.9
227.17978	6.1
229.15912	12.1
231.13841	17.3
233.11740	2.0
241.12215	1.4
241.19551	5.3
243.17340	2.3
243.21248	1.8
245.15454	2.1
245.19037	2.9
251.18005	5.9
255.17543	1.4
259.13345	2.9
259.20651	2.1
269.19049	37.1
271.20688	1.8
273.18649	1.7
279.23178	3.9
287.20059	100.0
297.18518	4.3
315.19504	24.8
333.20615	68.5
333.23975	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	333.1911
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
53.03947	3.9
55.01871	5.5
55.05514	15.8
57.03431	9.6
57.07085	18.4
59.05011	4.6
61.02927	6.2
66.11813	2.6
67.05516	6.8
69.03426	16.6
69.07072	18.2
71.05000	36.8
71.53783	4.6
73.02921	7.9
79.05509	13.0
81.03425	6.6
81.07066	33.3
83.04965	3.4
83.08635	3.4
85.02435	4.9
85.02914	66.4
85.06539	4.8
87.04466	4.1
87.07293	2.4
91.05493	21.5
93.07054	36.7
95.04984	6.7
95.08631	20.6
97.02902	14.5
97.06551	16.2
98.98476	22.1
105.07050	27.6
107.08601	38.2
109.02892	9.1
109.06547	9.7
109.10174	13.8
111.04467	3.8
111.08099	3.3
115.03936	5.5
117.07027	8.1
119.04969	3.8
119.08586	21.6
121.06569	3.3
121.10129	7.7
123.04516	3.0
123.08056	5.5
123.11756	3.9
125.13281	4.4
127.03927	10.8
127.19832	2.4
128.06219	2.6
129.07037	5.7
131.08617	12.3
133.04973	4.7
133.06519	3.8
133.10201	5.2
135.08052	3.9
135.11700	35.8
137.05991	8.9
137.09663	3.9
137.13210	6.6
140.07056	2.9
143.08549	12.8
145.04965	8.0
145.06514	3.2
145.10135	14.7
147.08093	20.9
147.11775	4.7
149.09660	5.0
151.07454	3.3
151.11139	4.3
153.01828	2.9
153.12769	100.0
155.08521	3.7
157.10249	4.5
159.08145	6.3
159.11710	7.2
161.09610	5.2
163.07571	3.6
165.05544	3.3
165.12779	27.1
167.07033	6.4
171.08081	6.3
171.11635	3.2
171.13721	3.7
172.31418	3.0
173.09663	19.2
173.13297	10.8
175.07526	4.8
177.12756	9.5
183.11746	6.2
189.12750	9.2
191.10693	7.1
201.09286	3.2
201.12729	3.1
207.13754	5.0
209.11852	3.7
219.13895	6.4
231.13786	6.8
243.13914	6.6
261.14822	7.5
279.15948	11.8
297.16885	8.9
315.17993	18.2
318.03830	6.3
333.06189	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	333.1908
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03966	5.5
54.80341	3.2
55.01875	4.6
55.05510	6.5
57.03432	9.6
57.07079	19.1
58.02980	3.1
59.04992	10.3
61.02936	15.2
67.05507	10.7
68.17255	3.2
69.03436	39.3
69.07066	14.1
70.77830	9.6
71.05001	17.9
73.02919	5.0
76.99496	3.2
81.03403	14.1
81.07051	14.3
83.05013	6.0
83.08624	7.9
85.02914	100.0
85.06564	15.9
87.04471	4.5
91.03953	6.3
91.05521	4.1
93.07050	13.6
94.30894	3.2
95.08614	72.2
97.02902	28.8
97.06538	8.2
98.98492	24.8
99.04472	6.2
99.08103	17.0
104.83508	3.2
107.08605	14.6
109.02888	12.8
109.06519	8.5
109.10162	25.6
111.04452	4.6
111.08090	10.4
113.08896	6.1
113.09650	96.3
121.06506	3.2
127.03899	21.1
127.11189	37.3
133.06493	5.3
135.11684	25.4
137.05986	5.3
137.09621	4.4
137.13264	10.5
145.04974	24.4
153.01839	14.9
153.09126	3.7
153.12758	99.0
155.14297	17.0
163.06027	3.5
165.09254	4.2
167.07115	4.8
171.13826	67.6
176.98941	3.5
213.14862	7.0
217.04929	5.2
219.02872	4.5
229.08650	5.5
233.04422	3.6
245.04626	4.2
287.05219	4.1
301.03485	7.0
315.09918	4.6
315.13394	6.0
318.03677	14.4
333.02045	4.3
333.06067	89.3
333.14389	9.1
333.19034	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	333.1908
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
53.00303	0.6
54.25216	0.9
55.05501	2.2
59.04992	1.8
61.87097	0.7
69.07061	3.0
70.07041	1.8
70.07457	2.0
71.04999	15.0
73.06562	3.7
78.05888	0.7
79.05497	4.4
81.03384	0.8
81.07062	20.7
81.11502	0.7
85.02896	2.6
91.05460	1.5
93.07040	13.6
95.08595	3.4
97.06510	1.4
98.98471	2.1
105.07042	1.1
107.08599	10.7
109.10189	3.2
117.69785	0.8
127.03858	0.8
135.10698	1.5
135.11700	22.8
153.12753	100.0
167.07092	0.9
190.41977	0.7
248.83719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1906
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
53.03948	7.3
55.01872	8.4
55.05507	22.8
57.03422	18.9
57.07079	24.6
57.43759	4.0
59.04996	4.2
61.02927	10.6
67.05495	13.6
69.03418	32.1
69.07074	33.6
69.77539	19.5
69.90595	3.4
71.05006	33.9
71.71465	4.2
73.02911	10.3
77.21460	4.2
79.05475	16.8
81.03414	14.4
81.07056	42.7
82.16762	3.3
83.08623	8.6
85.02440	5.4
85.02911	81.5
85.06562	5.8
91.05495	22.3
93.07043	42.0
95.04971	7.7
95.08601	30.2
97.02878	16.1
97.06518	16.4
98.98460	33.7
101.02291	5.4
101.53520	4.2
103.03925	6.0
105.07010	25.3
106.99641	11.7
107.08598	46.5
109.02869	10.7
109.06506	12.4
109.10147	16.0
115.03915	9.1
117.07038	7.7
119.08593	33.6
121.06493	4.7
121.10168	9.0
123.04360	4.7
123.08062	7.4
123.11753	6.4
125.13300	5.4
127.03905	19.0
131.08589	11.1
133.04970	16.0
133.06438	5.7
133.10094	4.8
135.08070	6.2
135.11685	49.8
137.05942	7.0
137.09644	5.4
137.13272	16.5
139.03918	9.6
143.08551	11.1
145.04944	5.5
145.10109	15.8
147.08003	12.5
147.11691	7.6
151.11076	6.2
153.12758	100.0
155.14343	10.0
157.10127	5.5
159.11638	6.7
161.09659	6.8
163.11191	5.7
165.03914	4.1
165.05428	15.5
165.12750	41.3
167.10661	5.3
171.13866	10.4
173.09615	15.6
173.13193	5.2
175.07608	5.7
176.98949	4.8
177.12790	13.0
183.11671	6.7
187.11267	5.0
189.12740	10.5
191.10606	4.8
193.08653	5.0
215.14297	4.6
219.13808	12.3
243.13789	8.7
261.14917	8.0
279.15915	9.9
297.16879	5.6
315.18048	18.4
333.05936	11.8
333.14658	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	333.191
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
55.01867	6.8
55.05515	15.1
57.03433	9.4
57.07072	8.8
59.04993	2.8
61.02932	6.5
67.05512	7.6
69.03432	17.0
69.07067	16.4
69.64552	12.5
71.04993	28.1
73.06562	4.5
79.05493	10.0
81.03414	6.3
81.07063	32.3
83.04966	6.6
83.08613	5.2
84.04515	3.4
85.02914	44.1
85.06564	5.0
91.05484	6.5
93.07042	28.6
95.04957	2.8
95.08600	17.2
97.02884	11.7
97.06533	31.0
98.20816	5.4
98.98486	24.5
99.04484	3.9
105.07049	10.1
107.08604	33.0
109.02893	3.3
109.06510	7.6
109.10160	11.0
110.09719	8.1
111.08092	7.4
115.03934	6.9
119.08590	13.4
123.04449	3.2
123.08073	4.7
123.11705	8.3
125.09617	7.2
127.03928	6.7
131.08568	5.1
133.04961	3.7
135.11667	25.7
137.05957	4.6
137.13190	3.1
138.09151	7.2
141.12740	25.1
145.04945	6.1
145.10097	3.7
147.08067	4.3
153.09117	6.3
153.12759	100.0
155.14323	4.2
165.12753	13.6
167.07040	5.2
171.10152	7.6
171.12308	3.7
171.13797	47.3
173.09662	4.6
174.11295	9.2
179.14394	3.3
219.13872	3.7
234.98906	3.4
279.15851	7.2
287.10550	3.4
297.17685	6.1
315.18210	5.0
333.15036	4.5
333.20276	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	333.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07089	0.3
69.03430	0.3
69.70528	0.9
69.70943	0.6
69.95009	0.3
79.05515	0.4
85.02906	0.5
98.98472	2.8
107.08569	0.4
115.86936	0.2
123.04423	0.9
124.51487	0.3
137.06030	0.4
138.05449	0.3
139.03932	0.4
146.05954	0.3
147.04390	0.5
163.03914	0.7
165.05490	0.5
166.04973	0.6
167.07155	0.4
169.07625	0.6
171.09955	2.2
197.07085	1.7
203.03439	1.0
209.07246	0.3
223.08705	0.4
227.08261	0.4
231.02980	0.9
243.07721	0.7
273.08813	0.4
280.08151	0.3
287.01849	1.4
315.09659	1.9
333.02371	1.5
333.15201	100.0
334.15445	0.6
341.17899	0.3
342.53467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1343
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03960	0.4
56.96555	1.0
57.03433	1.4
60.21810	0.5
61.02929	2.3
65.03918	0.8
65.91006	0.4
67.05499	2.7
69.03137	0.5
69.03438	5.3
69.81575	1.7
69.81984	1.3
71.04980	0.5
73.02902	2.0
77.00882	0.5
79.05479	0.9
81.03408	1.7
81.07058	0.8
85.02904	7.1
85.05091	0.5
87.04464	1.8
91.03945	0.7
91.05450	0.5
92.04996	0.5
93.05788	0.9
96.08128	1.1
97.02887	2.9
98.20779	0.6
98.97605	0.9
106.06556	4.3
108.08120	100.0
109.02900	1.1
123.06785	4.2
124.07595	14.2
127.03904	1.4
134.06012	9.7
136.07578	14.3
145.04959	0.6
147.44038	0.5
152.07071	68.2
152.32919	0.4
153.07411	0.6
154.08647	1.7
163.76212	0.6
170.08099	6.8
170.09373	0.5
216.68919	0.5
310.18661	0.6
310.84094	0.5
314.12332	38.1
332.13416	66.5
333.13843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	57.3
69.80667	3.8
69.81076	2.4
71.95246	1.8
84.96021	5.6
98.97588	60.4
105.00190	2.1
110.97610	2.1
112.99130	4.1
116.98628	17.3
123.57401	1.3
124.89669	1.1
124.99124	44.9
127.00673	3.7
131.00169	1.3
134.99628	3.3
140.98596	1.6
141.02232	5.4
143.00171	49.0
145.03389	1.4
151.00670	3.7
152.98593	19.9
158.99733	1.5
159.03329	2.4
161.01239	11.4
167.00182	6.3
169.01747	10.2
170.99658	39.9
181.45454	1.2
182.99709	1.3
185.01231	30.4
186.99173	4.2
187.02783	3.4
189.00734	22.4
194.99664	7.4
203.02306	12.2
203.04041	2.3
205.00197	4.8
213.00722	19.1
231.01776	27.7
245.03316	1.8
247.01300	3.2
249.02863	30.8
263.04373	2.6
267.03854	15.2
273.02759	9.0
285.04926	4.8
291.03867	100.0
292.04242	1.8
302.02829	1.4
309.04926	98.6
327.06143	4.2
332.06555	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	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.5
57.03439	4.2
57.07079	52.7
58.60759	1.1
62.57939	1.1
67.05511	13.0
69.07072	11.7
71.08637	37.8
71.53423	1.7
75.04471	2.5
79.05486	1.4
81.07056	22.4
83.08624	14.4
85.10191	22.7
91.05487	1.5
93.07046	3.4
95.08611	33.3
97.10158	7.8
98.98473	100.0
99.08112	1.6
99.11701	1.3
100.98874	2.1
104.24671	1.2
105.07001	1.7
109.10159	15.4
111.11739	2.2
112.77567	1.2
119.08603	2.3
121.10180	1.6
123.11761	7.1
125.13256	1.6
137.13280	4.8
140.01088	2.0
151.14888	2.1
164.67041	1.3
174.99232	5.2
176.98911	8.2
221.22743	1.6
224.68362	1.2
239.23683	15.0
252.99783	2.1
254.99371	1.8
257.24820	4.4
313.27393	49.4
323.68802	1.3
331.26355	1.6
331.34079	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	331.2844
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05522	7.3
57.03429	4.1
57.07077	61.2
67.05180	1.3
67.05508	17.4
69.07073	10.4
70.06569	1.6
71.08637	43.6
71.53363	1.5
75.04468	2.8
79.05469	1.8
81.07060	22.9
83.08622	19.1
85.09669	1.3
85.10186	22.9
88.07641	1.3
93.07041	3.8
95.08611	32.6
97.10168	6.7
98.98473	100.0
99.11749	1.3
100.98836	2.7
105.07005	1.9
105.22951	1.1
107.08519	1.7
109.03060	1.1
109.10165	18.1
111.11749	2.1
116.99470	2.3
117.02757	1.1
123.11692	8.2
125.13282	2.5
137.13258	3.2
165.16432	1.9
171.97081	1.4
174.99216	4.4
176.98956	8.9
185.79601	1.2
200.63228	1.1
205.79668	1.3
221.22610	2.3
239.23676	18.2
252.99687	1.6
254.99245	1.2
255.82097	1.2
257.24734	5.1
295.72488	1.3
313.27380	49.2
331.22595	2.7
331.34052	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	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96532	1.3
53.00300	1.4
55.05513	12.5
57.03433	9.0
57.07081	100.0
58.68553	1.3
59.99612	1.5
67.05513	27.3
69.07078	16.6
70.06609	4.0
71.08638	77.5
75.04479	4.1
79.05476	1.9
81.07064	37.4
83.08626	24.8
85.09673	2.3
85.10185	40.4
88.07640	1.8
89.06051	1.8
89.07963	1.8
91.05484	1.6
93.07039	1.7
95.08616	58.9
97.10172	12.5
98.21525	3.4
98.98475	57.2
98.99454	1.7
99.11749	2.4
106.08656	2.0
109.10161	29.3
111.11776	3.3
123.11707	11.1
125.13290	2.9
137.13303	7.3
151.14798	2.2
155.93309	1.4
165.16391	3.6
174.99251	3.6
176.98972	6.9
221.22699	2.5
239.23706	29.6
252.99771	1.6
257.24695	8.2
313.27396	78.4
313.33011	3.3
331.34052	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
53.03949	0.9
55.05517	12.2
57.03438	5.5
57.07079	100.0
65.03953	0.8
67.05509	23.6
69.07069	17.5
70.06581	1.4
71.05001	0.8
71.08636	67.3
75.04465	3.7
76.06430	0.8
79.05476	2.1
81.06598	1.8
81.07061	34.1
83.08623	24.5
85.06546	1.1
85.10188	37.3
87.99115	0.8
88.07615	2.4
89.06023	0.9
93.07047	2.8
95.08614	55.2
97.10179	12.6
98.98473	28.9
99.11737	3.5
103.07565	1.2
105.07059	1.0
106.08695	1.9
107.08559	2.1
109.10161	25.9
111.11726	3.9
113.13256	1.1
121.06513	1.0
121.10142	1.1
123.11723	11.7
125.13246	2.6
137.13261	6.5
139.14806	1.6
139.55881	0.8
149.13234	1.7
151.14827	2.3
165.16344	2.0
174.99251	1.9
176.98909	2.8
180.45256	0.8
221.22635	2.2
239.23705	24.4
257.24805	8.8
268.84592	0.8
289.21619	3.5
298.27310	1.2
313.27390	74.1
313.78540	0.9
331.25360	0.9
331.33978	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	331.1749
Annotation	Epijasminoside A
Peak:m/z	Relative Intensity
51.24118	1.3
53.03939	1.8
55.01865	2.8
55.05507	4.9
57.03439	2.8
57.07076	3.8
59.05003	18.3
60.04514	1.3
61.02922	3.0
65.03920	1.7
67.05514	16.0
69.03440	10.0
69.03752	2.2
69.07068	7.3
69.24084	1.6
71.05006	9.2
71.53573	2.2
72.08147	1.7
79.05502	8.6
81.03412	4.6
81.07060	39.2
83.04980	2.3
83.08643	2.5
85.02913	19.8
85.06104	1.6
85.06540	9.6
91.05482	12.5
93.07055	15.0
94.04208	1.4
95.04975	9.2
95.08596	7.4
97.02913	7.2
98.98476	100.0
99.04477	1.9
100.98898	1.8
105.07059	6.7
107.04978	1.5
107.08586	15.9
109.02911	2.3
109.06516	10.0
109.10172	38.2
111.08080	8.3
114.42665	1.4
116.99538	2.1
119.04965	4.1
121.06516	1.6
121.10130	2.2
123.04403	1.7
123.08051	4.0
123.11717	36.4
125.09691	2.3
127.03963	3.1
127.11196	16.7
129.07013	2.6
129.26906	1.2
131.08534	1.7
133.10141	16.4
135.08125	1.2
137.05991	18.0
142.24445	1.3
144.88019	1.3
145.04938	4.2
149.05997	2.7
151.03899	1.6
151.07562	22.0
151.11197	42.7
157.06509	4.0
163.07573	5.9
165.07039	2.4
167.08578	2.6
169.12251	20.6
174.99207	5.2
176.98952	9.2
189.09123	4.8
193.06508	1.6
194.07394	1.8
195.08070	5.9
201.88094	1.7
210.06732	1.8
212.08281	1.5
221.05988	2.6
221.09601	3.0
223.07533	2.5
225.09137	2.5
227.10689	5.6
238.06337	2.2
240.07726	1.5
247.09668	9.6
252.07706	2.2
253.08588	1.8
253.12292	3.1
255.10095	6.5
267.10168	1.7
269.07935	1.7
271.07108	2.7
285.08624	4.5
285.11337	4.1
287.12833	9.0
313.08145	7.7
313.16827	1.7
331.08652	4.0
331.12332	8.0
331.17313	3.1
331.26669	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	331.1749
Annotation	Schizonepetoside C
Peak:m/z	Relative Intensity
53.03936	3.7
55.01865	4.8
55.05497	5.3
57.03425	3.7
57.07071	2.9
59.05005	31.5
60.04522	1.6
61.02915	3.5
65.03940	1.9
67.05503	13.8
69.03435	14.6
69.07055	5.2
69.68654	7.5
71.04988	10.8
79.05501	13.8
80.24707	1.2
81.03404	4.8
81.06588	2.7
81.07057	48.5
81.80839	1.4
83.04970	5.0
83.08620	2.2
85.02909	32.9
85.06538	2.4
90.38922	1.2
91.03928	3.6
91.05478	13.9
91.14857	1.1
93.07051	25.2
95.04957	6.0
95.08627	9.7
97.02898	13.1
97.06531	2.2
98.98471	100.0
99.04466	3.2
100.98866	2.1
101.15697	1.3
103.05477	1.3
105.07040	9.4
107.07895	1.6
107.08598	24.6
109.02857	2.5
109.06525	16.0
109.10162	56.5
111.08084	17.3
116.99471	1.9
117.07008	1.6
119.04944	4.1
119.08567	1.8
121.06483	1.4
121.10168	4.0
122.03625	1.5
122.14761	1.3
123.08051	3.3
123.11711	47.4
125.09633	2.5
127.03912	6.3
127.11203	3.2
129.06955	4.1
131.08578	2.8
133.10136	26.6
135.08070	1.8
137.05984	12.3
139.11159	1.3
145.04958	5.1
149.06018	1.9
151.07568	20.4
151.11189	89.8
161.05957	3.5
163.07545	3.9
165.07066	1.9
167.08565	4.2
169.12273	14.4
173.11902	1.2
174.99236	4.6
176.98959	10.3
184.98795	1.4
189.09108	5.6
195.08121	3.8
210.06870	1.6
212.08308	2.0
221.09555	2.3
223.07581	2.2
227.10680	3.9
229.25584	1.3
237.08952	1.5
253.08633	2.8
253.12091	2.6
255.10152	7.4
267.10278	1.9
271.07089	1.6
285.08627	2.2
285.11420	3.8
287.12744	8.6
289.75232	1.4
313.08054	5.6
315.04977	2.6
331.08469	8.6
331.12646	3.5
331.17178	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	331.1541
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
55.01870	0.8
65.03933	0.7
69.03442	2.8
69.07079	0.7
69.48121	2.8
79.05492	1.8
81.03455	0.5
81.07053	1.8
83.04964	0.8
88.98645	0.6
91.05484	12.2
94.04179	1.3
95.04964	3.4
95.08640	0.6
97.02901	1.4
98.98473	29.0
103.05464	2.5
105.07029	2.5
106.99667	1.7
107.04948	3.6
107.08613	0.9
109.02921	0.9
109.06543	1.9
109.10155	0.9
111.04421	0.7
115.05436	1.0
117.07049	0.6
117.42424	0.6
119.04949	8.0
119.08571	0.8
121.06519	3.2
122.03667	3.1
123.04466	0.5
123.11713	0.7
127.03880	0.5
128.06233	1.9
129.07021	7.3
131.04953	3.7
133.06517	1.1
133.10052	0.9
135.04465	0.8
135.08058	3.1
136.05144	1.4
137.05988	35.6
139.11154	1.3
145.06474	1.3
149.05988	4.9
149.09633	0.6
150.06720	0.9
151.03918	2.3
151.07552	51.2
152.06180	1.8
153.06976	0.8
157.06483	5.8
161.05980	5.0
161.09666	2.0
163.07562	10.7
165.01855	1.3
165.05508	2.2
165.07008	5.0
165.09119	1.8
166.07837	1.1
167.07146	0.9
167.08548	7.8
169.06482	1.0
174.06801	3.1
174.99252	1.2
175.07535	2.2
176.98936	2.5
177.05508	1.0
177.09111	2.0
178.07773	2.9
179.03444	1.0
179.08577	0.7
181.06476	2.4
182.07292	2.4
183.08101	0.8
189.07408	1.1
189.09106	16.4
191.07013	0.7
191.08629	0.6
192.09344	0.8
193.06496	2.5
193.08611	0.6
193.10091	3.5
194.07304	1.4
195.08073	11.8
196.08839	1.4
197.06007	2.2
199.07353	0.5
203.08521	1.2
203.45091	0.6
207.08479	0.7
207.10193	2.6
209.05960	1.0
209.09671	1.8
210.06790	3.8
211.07536	2.0
212.08307	2.2
217.04979	6.0
218.05748	13.2
219.06450	0.8
221.06084	3.9
221.09590	5.5
222.06636	0.9
223.07547	5.4
224.08293	1.0
225.05492	0.6
225.09084	5.4
227.07166	0.8
227.10683	14.3
235.09615	3.0
237.05385	0.9
237.09087	1.0
238.06210	1.8
238.09900	0.9
239.06816	0.7
240.07858	1.8
241.08534	1.1
241.12279	1.0
242.05731	1.0
247.09674	100.0
248.10143	1.2
249.09082	3.1
252.07849	0.9
252.99562	0.7
253.08614	7.3
253.12257	9.2
255.06590	0.8
255.10182	17.0
257.11884	0.6
258.05173	0.9
267.10275	2.8
269.08047	1.9
269.11758	1.0
270.05188	2.7
270.08725	1.3
271.13208	0.7
272.10489	1.8
281.11771	3.6
284.10464	0.9
285.11258	11.3
286.04706	0.6
287.05530	0.9
287.12781	28.8
299.13013	1.3
301.03372	0.8
301.14191	1.5
302.04144	1.2
313.10965	1.2
313.14337	8.8
313.17691	1.1
315.04977	12.4
316.05792	1.5
323.04956	0.6
331.04163	1.3
331.08099	23.0
331.11771	7.4
331.15448	3.9
331.18988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1542
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
54.24475	1.8
55.70829	2.1
57.83288	2.1
70.68925	4.2
70.69259	4.5
79.05488	5.0
81.07039	3.3
85.02903	2.4
85.06496	2.3
91.05486	29.7
94.04183	3.5
95.04952	6.0
95.41355	2.0
98.98476	39.6
103.05482	6.3
105.07028	9.2
107.04954	11.3
109.06482	6.6
109.10181	3.4
111.04437	2.6
117.07068	2.3
119.04982	18.8
121.02861	5.1
121.06510	7.5
122.03658	8.9
123.04478	3.0
128.06250	4.2
129.07001	19.5
131.04932	7.0
133.06474	2.9
133.10138	2.6
135.08075	6.0
136.05186	4.4
137.05989	90.3
145.06450	4.6
148.11674	2.3
149.05971	15.7
151.03923	4.9
151.07555	100.0
152.06235	4.1
157.06471	12.8
161.05995	25.7
161.09679	5.6
163.03864	2.3
163.06262	3.3
163.07545	26.8
165.06987	10.3
165.09180	5.2
167.07259	3.4
167.08580	14.3
167.14082	2.0
169.06508	2.2
169.12233	22.7
174.06758	9.1
175.07536	7.3
176.98973	4.6
177.09106	2.7
178.07793	10.3
181.06522	4.7
182.07246	4.6
183.08093	2.5
184.08751	3.2
187.07492	2.4
189.09142	44.3
193.06497	10.0
193.10153	11.0
194.07295	2.6
195.08086	28.4
196.08829	3.1
197.06061	4.6
202.07925	2.7
203.08574	3.8
207.10078	13.3
209.05927	4.0
209.09642	3.5
210.06837	9.9
211.07579	3.4
212.08350	4.9
219.08066	2.1
221.06027	13.7
221.09641	11.2
223.07581	11.4
224.08273	5.2
225.09111	12.1
227.07156	2.5
227.10683	33.0
237.09181	2.6
238.06253	7.4
239.07147	2.6
240.07883	5.1
249.09157	7.9
253.08604	18.6
253.12393	15.5
255.10202	32.8
267.10226	6.8
269.08115	5.9
269.11786	2.7
272.10358	5.9
274.02917	2.5
281.11707	7.8
284.10400	3.0
285.11237	27.6
287.12793	66.3
313.14331	20.1
331.15549	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	331.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.01865	2.9
55.05510	3.0
57.07074	3.8
59.04996	5.1
67.05513	4.6
69.03427	3.2
69.07067	2.0
70.78059	3.2
71.05002	2.8
79.05483	5.6
81.03420	1.7
81.07065	10.0
85.02903	9.1
91.05492	27.0
93.07030	2.9
94.04176	2.9
95.04979	5.7
95.08600	3.5
97.02908	1.3
97.06488	1.6
98.98474	61.2
99.04471	5.1
99.44638	1.5
103.05465	4.0
105.07013	5.9
107.04951	7.4
107.08595	3.4
109.06534	7.2
109.10157	10.1
111.04438	1.6
111.08075	20.1
112.06546	1.5
115.05447	2.3
117.07031	3.3
119.04945	16.6
119.08676	1.7
121.02888	3.9
121.06505	5.7
122.03667	6.7
123.04421	2.3
123.08064	5.8
123.11718	16.9
125.09634	2.7
128.06229	4.6
129.07011	15.8
131.04932	4.8
131.08623	1.7
133.06505	2.7
135.08044	4.3
136.05165	3.1
137.05983	73.1
141.12749	4.1
145.06490	3.1
148.05280	2.5
149.05975	12.2
151.03889	3.2
151.07555	100.0
151.11157	8.6
152.06229	3.5
155.05983	2.1
157.06531	14.8
161.05989	16.0
161.09650	4.7
163.07553	20.4
165.07045	11.3
165.09119	4.6
166.07733	2.2
167.08575	15.5
169.12247	50.1
174.06784	5.9
174.99301	2.2
175.07553	6.0
176.98889	7.1
177.09148	3.3
178.07816	7.3
179.08492	1.7
181.06479	3.8
182.07291	4.4
189.09123	36.1
189.10770	2.9
193.06412	6.9
193.10085	7.6
194.07333	2.4
195.05551	2.8
195.06145	2.7
195.08029	25.3
196.08859	2.8
197.06017	5.3
199.07597	1.5
202.07787	2.0
205.04970	12.2
206.07204	2.3
206.15576	1.5
207.08127	3.1
207.10202	5.3
209.05869	3.4
209.09688	3.4
210.06721	7.5
211.07581	3.7
212.08308	4.1
213.06538	1.9
221.05878	8.7
221.09540	11.1
223.07565	11.9
224.08333	2.5
225.06804	2.4
225.09015	10.5
227.10680	30.2
228.10976	1.6
229.06207	1.4
231.02892	3.2
231.08009	3.1
235.07590	1.8
237.05408	1.9
237.09042	3.4
238.06322	4.1
238.09863	2.7
239.06981	1.6
240.07837	4.3
241.08759	2.0
247.05998	2.0
247.09796	2.8
249.06813	1.8
249.09081	8.6
252.07777	1.8
253.08601	14.7
253.12286	14.6
255.06450	1.7
255.07353	2.1
255.10168	30.3
258.05167	2.0
267.10168	5.4
269.08093	6.3
269.11407	1.7
270.05319	5.7
270.08582	3.1
271.07074	3.1
272.10495	3.8
281.11761	5.3
284.10278	2.3
285.03729	2.0
285.08575	3.4
285.11270	20.8
287.05521	3.8
287.09586	3.0
287.12793	59.0
295.07004	2.5
298.11893	1.8
299.12744	2.9
301.03336	2.5
301.14224	2.3
302.04254	2.4
313.03403	4.6
313.08289	10.1
313.14301	18.8
315.04980	19.6
316.05701	1.8
331.04144	3.3
331.08130	44.0
331.11661	7.0
331.15527	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	331.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.0
65.03938	1.3
67.69560	0.9
69.03414	2.3
69.91647	5.1
72.96754	0.9
79.05484	3.4
81.03419	1.5
81.07053	2.8
85.02907	1.9
91.05484	28.1
93.07073	1.0
94.04185	4.0
95.04971	6.2
98.98474	30.9
103.05463	4.8
105.07034	5.0
107.04963	5.6
107.08599	1.6
109.02842	1.2
109.06520	4.4
109.10130	2.3
111.04437	1.5
115.05458	2.9
117.07069	2.2
119.04950	21.7
121.06520	7.0
122.03667	8.6
123.04383	1.1
123.08052	2.0
128.06218	4.1
129.07011	16.4
131.04941	6.6
131.08595	2.0
133.06464	2.8
135.04420	1.0
135.08040	6.0
136.05177	2.9
137.05988	77.8
139.07608	1.1
145.06477	3.8
146.03621	1.8
147.04469	1.4
147.08066	2.0
149.06000	13.8
151.03877	3.3
151.07555	100.0
151.11142	2.5
152.06203	3.8
153.06927	1.3
157.06500	11.5
161.06003	11.3
161.09596	2.2
163.03931	1.0
163.07561	20.2
165.07016	13.0
165.09073	5.5
166.07765	2.4
167.07188	1.0
167.08563	17.0
169.06477	1.8
174.06818	6.3
174.99167	1.2
175.07533	3.4
176.98967	2.6
177.07045	1.7
177.09135	3.4
178.07756	7.3
179.08551	2.5
181.06476	4.6
182.07309	3.0
183.07886	0.9
189.07402	2.2
189.09114	37.7
192.07739	1.0
192.09370	2.2
193.06464	8.3
193.10115	8.1
194.07193	4.5
195.08063	26.6
196.08873	1.9
197.05942	5.4
197.09671	1.7
199.07576	1.2
203.08517	2.5
205.06575	1.3
206.07307	1.5
207.08122	2.7
207.10168	6.7
209.05978	1.6
209.09641	4.1
210.06821	6.7
211.07614	3.4
212.08424	3.7
220.09007	2.0
221.06017	10.4
221.09575	10.9
223.07538	10.4
224.08315	3.9
225.05568	1.3
225.09117	10.7
227.07161	2.0
227.10663	31.5
229.08698	1.1
235.07431	1.5
235.10982	1.6
237.05246	1.1
237.09134	3.7
238.06221	5.1
238.09813	1.8
239.07033	3.2
239.10703	1.5
240.07834	4.1
241.08578	2.8
241.12099	1.2
249.09053	6.9
251.10838	1.0
252.07738	3.7
253.08603	13.7
253.12245	17.5
254.09558	1.0
255.06622	1.4
255.10185	30.8
257.08096	1.4
263.10516	1.3
266.09445	1.5
267.10181	5.8
267.46112	1.0
269.08105	5.7
269.11365	1.4
270.08789	1.1
272.10452	4.2
281.11774	7.0
284.10516	2.1
285.11234	19.4
287.12790	56.7
298.11871	2.2
299.12582	1.7
301.14246	3.3
313.10941	1.7
313.14337	18.1
316.81076	1.2
331.17035	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	331.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45655	0.7
55.01865	0.9
56.96559	2.4
57.07072	1.6
62.83974	0.6
66.48964	0.7
67.05489	1.0
69.03434	1.0
69.62575	1.2
69.62986	3.0
71.04999	0.7
71.08617	1.3
79.05536	0.8
81.07063	1.2
84.04507	1.1
85.02906	4.2
86.09687	1.1
86.59597	0.7
91.05474	2.1
94.72130	0.7
95.04968	0.8
95.08599	1.3
95.40009	0.7
97.02903	1.9
98.97636	4.1
98.98470	100.0
100.98890	2.4
102.13145	0.6
103.03932	1.2
104.96338	0.8
108.08121	1.5
109.02891	1.2
110.97607	1.0
116.98634	2.6
116.99519	2.6
119.04965	1.4
121.02892	0.7
123.04472	1.7
127.03939	1.7
128.98621	1.2
132.95869	2.2
135.04404	0.6
137.06021	1.2
139.03874	4.6
143.00179	1.5
146.97449	0.9
147.04430	3.9
151.03922	3.5
152.07074	1.2
153.01805	1.0
155.07114	0.8
161.01236	1.0
161.06029	1.0
163.03896	4.3
165.05551	1.7
169.04977	3.4
170.99762	0.8
174.99255	4.4
175.03987	1.3
176.98965	9.6
177.00511	1.1
179.03416	0.8
181.04980	8.7
187.02615	0.8
189.05443	1.2
193.04982	13.2
202.96436	1.0
205.05092	0.7
207.06525	3.6
211.06000	10.7
219.01862	1.9
229.05115	1.0
231.06717	0.9
235.06012	10.7
237.02818	2.2
239.23660	0.8
241.05083	1.0
247.06081	10.1
247.08458	1.0
248.99255	0.7
252.99805	2.3
254.99561	1.1
259.06061	5.0
260.10477	0.8
263.95660	0.6
265.06952	1.0
267.00378	2.0
277.07037	3.3
295.08286	1.8
313.03555	0.7
313.08789	0.6
313.27289	1.2
331.04108	1.1
331.07687	10.0
331.13452	6.8
332.13730	1.1
349.08099	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	8.0
55.05505	3.7
57.03436	4.4
58.08574	1.7
58.86198	1.9
61.02920	4.3
63.05857	1.7
67.01875	5.2
69.03438	4.7
70.06623	1.9
70.75994	5.9
73.02921	2.0
75.11127	1.8
76.96391	1.8
81.03424	4.3
83.04994	3.7
85.02913	26.6
91.05490	4.0
93.07041	5.2
95.04986	3.0
97.02908	4.6
98.98474	100.0
100.98895	2.8
103.03971	5.8
109.02887	12.5
109.10209	1.9
113.51222	1.8
117.07080	1.9
119.02007	1.9
119.04971	5.0
121.02893	5.7
123.04415	13.9
123.09197	3.4
125.05985	6.4
127.03922	6.1
129.07025	2.2
133.02850	3.3
133.06522	2.9
135.04463	2.6
137.05963	3.3
139.03918	3.3
139.75961	1.9
145.06624	2.3
147.04428	14.9
151.03909	31.0
151.07542	3.6
151.08688	3.3
151.11195	6.0
159.04504	1.7
161.06012	6.6
163.03914	19.6
165.05475	15.9
167.08524	2.0
169.04984	29.2
169.08588	14.3
169.09738	1.8
171.04393	2.5
174.99255	6.0
175.03905	9.6
176.98914	9.3
179.03320	2.2
179.07074	3.8
181.04971	69.4
187.03923	5.9
189.05428	9.6
193.04984	96.7
201.05420	2.0
205.04971	11.2
207.03050	2.4
207.06551	32.6
211.06033	78.0
217.05035	4.6
218.05937	1.8
219.06520	5.5
225.11197	1.8
229.04970	17.4
231.06580	5.4
235.06024	84.8
241.05002	8.4
247.03452	4.4
247.06044	90.2
249.07635	2.5
252.99649	2.8
259.06046	45.9
265.07129	9.5
277.07080	24.8
295.08133	17.6
313.09167	3.4
331.13477	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	331.1025
Annotation	32142-31-7
Peak:m/z	Relative Intensity
50.40358	0.7
53.03941	1.6
54.77295	0.9
55.01881	3.8
55.05524	4.2
56.05039	1.0
57.03439	4.9
57.07058	1.0
58.99590	6.9
61.02915	2.9
61.57004	0.8
65.03954	0.7
67.01869	1.1
67.05505	1.9
68.05009	1.6
68.99775	1.2
69.03439	6.2
69.07056	2.5
69.30363	0.7
70.06597	1.5
71.53432	1.1
73.01138	0.9
73.02911	1.1
74.00662	1.5
76.02238	9.5
79.05487	4.7
80.13120	1.0
81.03409	3.6
81.07064	24.8
83.04998	0.8
83.06104	10.6
84.04520	3.9
85.02432	1.3
85.02907	17.8
85.06522	0.7
86.00650	3.3
86.09694	1.4
86.99043	3.4
87.02699	6.1
87.04454	0.7
91.03941	1.0
91.05484	2.8
93.07045	2.8
94.06561	1.1
95.04983	2.1
95.08591	4.5
97.02896	5.1
97.06536	2.1
98.00538	0.7
98.98471	72.3
99.04460	1.2
99.08109	2.5
100.98886	2.1
101.06029	2.7
103.03933	1.7
104.01489	0.7
105.00097	1.8
105.03347	1.1
105.07040	1.8
107.08582	1.3
109.02898	4.2
109.03510	0.7
109.06558	0.8
109.10180	0.9
111.08044	1.1
113.04230	1.0
115.05769	1.5
116.99487	1.9
117.07035	0.8
119.04934	1.6
121.02875	2.8
121.06528	1.3
122.03699	0.8
122.09711	1.0
123.04439	10.0
123.08068	1.2
127.03940	5.7
127.05746	1.3
129.06596	17.2
129.07475	1.2
130.04984	1.9
133.02853	1.0
133.10118	0.8
135.04434	1.0
137.06000	3.2
139.03909	2.1
139.05806	1.0
145.04993	2.5
145.06523	1.2
147.04433	4.6
150.98129	0.8
151.03912	22.3
151.07545	2.0
151.08678	0.9
151.11159	1.5
153.01860	2.0
155.08188	0.9
156.08434	13.8
157.06789	7.5
161.05992	2.1
163.03893	6.1
165.05528	5.0
169.04976	100.0
170.02687	1.2
173.05916	1.1
174.09488	11.5
174.99242	3.1
175.03955	3.3
176.98972	6.7
179.03453	2.5
179.07028	1.0
181.04977	18.0
187.03908	2.4
187.05360	2.0
189.01804	1.0
189.05495	3.2
193.04985	28.2
201.05391	1.0
203.07269	2.4
205.04980	4.4
207.06523	8.5
210.11278	2.5
211.06021	23.6
213.05467	1.6
217.05017	1.6
219.06580	1.1
229.05028	4.8
231.06708	1.5
233.06056	5.8
235.06007	24.9
241.04951	2.4
247.06055	23.5
252.99805	1.5
254.99715	0.8
259.06036	11.6
259.08417	1.3
265.07205	3.0
277.07068	6.4
285.12842	1.4
287.12830	1.3
295.08038	5.8
313.09085	1.4
313.12347	3.4
331.13251	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	331.1025
Annotation	32142-31-7
Peak:m/z	Relative Intensity
53.03954	0.4
55.01873	0.3
55.05512	0.6
57.03421	0.5
57.07099	0.2
58.02851	0.2
65.03940	0.2
67.01861	0.6
67.05495	0.8
67.28402	0.2
68.99767	0.5
69.03429	1.0
69.07082	0.4
70.06588	0.3
71.05008	0.4
71.10474	0.5
71.10839	0.3
73.02917	0.3
74.29183	0.2
77.51191	0.2
79.05494	0.6
81.03416	0.7
81.06651	0.2
81.07072	1.6
83.04974	0.4
85.02915	2.6
85.06520	0.3
86.90897	0.2
91.05466	0.3
93.07050	0.6
95.04977	1.3
95.08605	0.7
97.02902	0.5
98.98476	20.6
100.98932	0.6
105.07036	0.3
107.08596	0.5
109.02871	0.2
109.06496	0.4
109.10185	0.5
111.04469	0.3
111.08102	0.3
116.07298	0.3
116.99515	0.4
119.04946	0.3
121.02867	1.3
121.06479	0.2
121.10132	0.5
123.03582	0.4
123.04443	7.7
123.08079	0.3
123.11695	0.6
125.06013	0.6
125.09637	0.5
127.03927	3.5
129.06998	0.3
132.95772	0.4
133.10170	0.4
135.11690	0.3
137.05984	0.7
149.06017	0.3
151.03920	14.1
151.07552	0.9
151.11165	0.7
153.09128	0.3
163.03847	0.3
163.07623	0.3
165.05431	0.3
169.04979	100.0
169.12204	1.5
170.05302	0.8
174.99239	1.4
176.98918	1.8
189.09178	0.3
193.05028	0.4
195.02916	0.5
252.99725	0.4
270.01740	0.3
287.12885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1024
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01876	9.4
57.03436	3.2
61.02917	1.9
67.01865	3.4
68.99786	3.5
69.03429	3.2
69.96442	7.8
79.86194	1.7
81.03423	3.6
83.04984	2.4
85.02914	27.5
91.05486	4.7
95.04967	3.8
97.02901	4.4
98.21424	3.6
98.98475	51.4
98.99126	2.5
103.03951	6.6
105.03418	3.0
105.07051	3.1
107.07045	2.0
109.02905	11.9
114.98793	1.9
119.04961	4.6
121.02857	6.0
123.04431	15.6
125.05988	7.4
127.03925	7.1
129.06985	2.5
133.06490	5.6
134.06833	2.6
137.05989	4.2
139.03937	7.7
145.06500	3.0
147.04437	17.4
151.03918	33.6
151.07550	4.1
159.04401	2.0
161.06006	5.9
163.03908	25.5
165.05472	19.4
169.04977	32.4
169.08635	23.2
173.05946	4.3
174.99277	2.1
175.03911	11.1
176.98993	3.9
177.05606	1.9
179.07088	2.3
181.04982	75.7
187.03969	11.2
189.05508	8.9
193.04980	96.6
201.05702	2.5
205.05000	16.7
207.02950	3.0
207.06543	33.7
211.06023	81.8
213.05406	4.6
217.05005	5.7
219.06474	4.0
229.04982	17.9
231.06458	7.0
233.04523	3.4
235.06024	98.6
241.04955	10.1
247.06039	100.0
249.07498	2.0
259.06039	42.5
259.08743	2.3
265.07040	15.5
277.07074	27.2
295.08194	21.5
313.09183	4.8
331.13773	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	331.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	8.0
57.03422	0.8
57.07079	1.1
61.02905	0.7
63.21807	0.6
63.74886	0.6
65.03938	1.0
67.05502	1.1
69.03453	1.7
69.07062	1.0
69.48853	1.0
69.49165	5.0
70.06593	1.6
70.85940	0.6
70.98139	0.8
78.82192	0.6
79.47492	0.7
81.03394	1.1
81.07058	1.5
84.04530	1.0
84.08148	1.4
84.96021	0.6
85.02934	4.4
85.10200	0.8
86.09679	1.5
88.99146	0.9
89.03951	1.2
91.05503	3.3
92.05814	0.6
95.08583	0.7
97.02895	2.4
98.97607	14.1
98.98477	100.0
100.98918	2.4
107.04964	1.2
107.08575	0.7
108.08153	1.4
109.02895	0.8
109.10174	0.8
110.97578	2.1
111.04485	1.4
111.62167	0.7
116.98646	4.9
116.99526	2.3
117.03381	1.1
119.04971	4.2
121.02875	0.7
121.06417	0.7
123.04474	1.4
124.99133	1.6
127.03926	1.4
128.98616	1.6
132.98167	0.8
134.99706	1.3
135.04433	1.2
137.06017	1.0
139.03915	2.2
140.98648	1.0
143.00206	3.7
145.02930	1.4
146.99658	0.7
147.04437	14.3
150.99126	1.2
151.03946	1.7
152.07076	1.8
153.01828	1.9
158.99620	3.3
161.01248	1.8
163.03915	5.9
169.04849	4.9
170.99654	1.0
174.99266	5.6
176.98964	10.8
177.00725	2.5
179.05974	0.8
182.99609	1.0
185.01274	1.0
187.02657	0.7
189.00679	1.4
190.95442	0.8
201.00755	1.4
204.50905	0.7
215.05821	1.0
219.01802	3.1
237.02917	2.9
239.05972	0.9
248.99236	1.7
252.99721	1.4
267.00266	4.9
276.05298	0.7
285.01355	3.3
285.72479	0.8
290.01840	0.9
305.09229	2.6
314.11853	0.8
323.10260	2.6
331.10114	96.3
331.13559	6.8
332.13486	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0813
Annotation	Malvidin
Peak:m/z	Relative Intensity
55.05470	0.3
69.07006	0.6
70.16671	0.9
72.37881	0.2
79.05434	0.3
81.06982	0.7
83.06219	0.2
91.05424	0.3
93.07004	0.2
95.08580	0.6
96.08875	0.3
98.98470	12.4
109.10095	0.3
116.99448	0.3
117.80870	0.2
135.05299	0.2
136.01518	0.2
137.02303	0.3
137.05991	1.5
151.07410	0.2
153.01840	1.4
154.02638	0.3
157.10101	0.3
159.73535	0.3
174.99193	0.4
176.98984	1.4
177.72792	0.2
178.02544	0.6
179.03424	0.3
213.05402	0.4
214.06230	0.3
225.92502	0.3
229.04971	0.4
241.05013	0.4
242.05757	4.1
252.99840	0.3
258.05252	4.3
260.15656	0.2
269.04584	0.4
270.05246	11.1
271.05905	0.4
273.03958	2.2
285.03989	0.5
286.04828	1.6
287.05515	6.6
299.05618	1.1
301.03442	2.7
302.04218	4.1
313.03397	2.6
315.04990	50.9
316.05710	5.3
331.08130	100.0
332.08441	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0813
Annotation	Malvidin
Peak:m/z	Relative Intensity
61.28912	0.1
68.99767	0.1
69.03407	0.2
70.14408	0.4
81.07023	0.2
91.05444	0.3
93.07012	0.1
95.04986	0.1
95.08593	0.2
96.46302	0.1
98.98479	4.7
98.99122	0.2
107.08577	0.2
108.02033	0.3
119.08587	0.1
121.06494	0.1
135.04352	0.1
136.01506	0.2
137.02319	0.3
137.05952	0.2
139.03906	0.1
139.11166	0.1
151.03891	0.3
151.07513	0.3
151.11151	0.2
153.01840	1.6
154.02570	0.3
163.03908	0.2
163.07497	0.1
165.05479	0.9
167.08498	0.1
174.99179	0.2
176.98880	0.4
177.05482	0.2
178.02617	0.6
179.03404	0.2
179.07024	0.3
189.05449	0.1
189.09132	0.1
191.07024	0.4
193.08548	0.2
203.03459	0.2
210.15652	0.1
213.05504	0.3
214.06261	0.3
216.04045	0.1
219.46590	0.1
224.04611	0.1
229.04910	0.4
241.04964	0.7
242.05759	4.7
245.04471	0.2
252.04059	0.1
252.99864	0.1
253.04947	0.4
255.02824	0.3
257.04480	0.1
258.05276	4.8
260.16644	0.1
269.04602	0.8
270.05261	12.3
271.05814	0.3
273.03976	2.7
274.04391	0.1
285.04044	0.8
285.11331	0.1
286.04773	2.2
287.05524	6.2
288.05969	0.1
298.04800	0.3
299.05527	1.3
301.03461	2.6
302.04239	3.5
313.03452	3.1
313.17905	0.3
315.05011	52.2
316.05774	5.7
331.08145	100.0
332.08545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18462	2.7
53.03940	4.9
54.47065	3.1
55.01867	8.4
55.05513	27.1
57.03425	6.3
57.07060	12.3
67.05505	48.8
69.03439	5.1
69.07066	21.8
69.31464	11.0
69.31886	14.8
71.04974	3.8
71.08637	13.9
74.06087	4.4
77.23454	3.4
79.05495	35.9
81.07058	56.7
83.04971	19.9
83.08627	17.3
84.04499	13.4
85.06561	4.4
85.10152	3.8
87.04444	8.6
87.69424	2.7
91.05501	26.0
93.07047	48.3
95.04948	9.1
95.08603	31.8
97.06529	10.3
97.10160	10.3
98.20770	5.0
98.98470	100.0
99.08099	12.1
100.11258	2.9
102.05555	4.3
105.04514	3.6
105.07037	19.8
107.08588	19.5
109.10146	13.3
111.08085	4.3
117.07031	6.4
119.08610	13.8
121.10152	14.4
123.11636	5.5
125.09642	9.8
130.04967	14.7
131.08542	8.8
133.10141	17.5
135.11676	14.9
139.11177	29.3
147.11668	8.9
148.06030	11.9
149.13246	11.1
151.11183	7.1
159.11687	10.5
161.13268	7.8
163.11232	6.0
165.12712	6.4
171.11714	4.3
174.99176	5.6
176.98959	5.3
177.12775	6.2
179.14337	6.0
189.11076	3.1
193.12198	4.5
195.13826	34.5
207.13838	5.4
221.15282	4.5
259.20651	4.7
277.21628	39.1
295.22711	24.6
330.29892	12.4
330.33670	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.1
57.03427	0.3
61.02919	0.4
61.56541	0.2
69.03432	1.1
69.58208	1.1
77.56130	0.2
79.05507	0.7
80.05026	0.2
81.03414	0.4
81.07056	0.3
85.02903	1.5
91.05476	0.4
92.06258	0.4
93.05761	0.4
94.06552	0.5
95.08570	0.2
97.02879	0.6
98.20805	0.3
98.98475	2.8
105.07028	1.9
106.06523	0.4
107.07338	3.5
115.85173	0.2
117.05765	0.4
121.08887	0.4
122.06081	0.2
122.09672	8.6
127.03825	0.2
132.08162	0.3
135.06804	1.4
145.04892	0.1
150.09149	100.0
151.09485	0.5
168.10225	5.3
171.00107	0.2
172.81151	0.1
190.33727	0.1
208.05241	0.5
236.04619	0.2
269.08130	0.2
276.01428	0.2
315.08820	0.9
330.10986	0.8
330.15372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72790	0.8
55.01862	1.2
55.05505	2.9
57.07071	2.3
58.99594	2.2
67.05498	3.7
69.03438	56.6
69.07072	7.6
69.28174	6.2
69.28586	2.2
70.06590	3.1
72.08147	1.1
76.02235	5.9
79.05494	5.0
81.07076	7.8
82.06541	0.9
83.04991	4.6
83.08622	1.9
84.04501	1.2
85.06535	3.8
86.09711	3.8
86.99049	2.1
91.05482	4.5
93.07056	14.1
95.04940	1.4
95.08616	12.9
96.78162	0.9
97.06561	5.6
97.10224	1.0
98.98483	16.7
103.02216	1.0
105.00077	3.7
105.07044	7.3
107.08606	14.6
109.06515	5.5
109.10145	3.6
111.08076	3.5
117.07026	1.0
119.07809	0.8
119.08588	6.0
121.06513	3.2
121.09330	1.8
121.10159	26.2
122.02747	39.9
123.08081	4.3
123.11699	10.8
124.72884	0.9
125.09643	25.4
129.06969	1.4
131.08568	7.6
133.06506	7.0
133.10159	7.8
135.08075	14.1
135.11705	7.0
137.06012	1.6
137.09592	0.8
141.72781	0.8
143.08549	2.1
145.10127	4.2
147.11708	5.2
149.09648	8.4
149.13272	5.2
150.10313	1.4
151.07620	1.5
151.11192	2.2
153.09125	10.5
157.06889	0.9
158.10924	5.3
161.09659	1.0
163.11223	3.3
163.14856	7.9
165.12737	3.2
167.05310	1.2
167.10693	11.2
173.13297	29.2
186.03745	1.0
189.12819	0.9
191.14328	100.0
192.14771	1.1
197.09912	1.6
209.15393	95.8
213.74840	1.0
223.11493	1.1
241.12584	19.0
249.71005	1.0
281.91260	0.9
330.17175	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	329.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19597	0.3
50.78520	0.3
53.03944	0.5
55.01875	0.5
55.05515	1.6
55.05742	0.3
57.03426	0.4
57.07081	0.5
57.98804	0.4
58.13226	0.3
58.99593	14.5
59.04996	0.6
65.03963	0.4
67.05512	1.0
69.03439	31.4
69.07082	0.6
69.45167	0.3
69.92587	1.5
73.01138	1.4
75.02705	0.5
79.05498	1.0
79.52381	0.3
81.03458	0.5
81.07060	1.8
83.04985	1.5
85.01134	1.1
85.02904	0.4
86.99065	19.6
87.04478	8.1
87.04981	0.7
88.58786	0.3
89.04259	1.1
91.05486	1.1
93.07051	1.8
95.04948	0.6
95.08628	1.4
97.06557	0.5
98.98477	100.0
99.02689	2.6
100.98896	0.4
103.02200	0.6
103.05467	0.4
105.00102	37.2
105.07047	1.1
107.08602	1.0
109.02901	0.4
109.10182	1.0
112.28302	0.4
116.99516	1.5
117.03732	6.8
119.01660	0.7
119.04954	0.7
119.08611	1.0
121.06552	0.6
121.10156	2.9
123.04409	1.7
123.08102	0.5
123.11703	0.4
125.06064	0.5
131.04968	0.4
133.66219	0.4
135.11734	0.4
137.05969	0.9
137.09641	0.7
139.03931	0.5
139.11194	21.4
140.01103	0.7
145.03200	6.2
147.04407	1.8
147.11630	0.5
149.02684	3.8
149.06000	0.4
149.09729	0.6
150.68301	0.4
151.03911	0.4
151.07573	0.5
163.04265	13.7
165.05482	2.4
165.09151	1.2
167.10721	0.6
174.99240	10.5
176.98940	4.7
177.05484	9.4
183.04771	0.5
183.10173	0.4
191.03738	6.9
191.07053	0.4
204.06612	0.6
204.09544	0.4
207.06566	1.3
207.13828	3.0
209.09718	0.7
227.07059	2.3
239.11115	1.0
251.00150	0.7
252.99715	1.7
255.06564	4.7
283.06082	6.5
283.13611	0.8
311.05518	7.6
311.08942	0.6
329.06589	0.7
329.10236	4.8
329.14133	3.2
343.51569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19597	0.3
50.78520	0.3
53.03944	0.5
55.01875	0.5
55.05515	1.6
55.05742	0.3
57.03426	0.4
57.07081	0.5
57.98804	0.4
58.13226	0.3
58.99593	14.5
59.04996	0.6
65.03963	0.4
67.05512	1.0
69.03439	31.4
69.07082	0.6
69.45167	0.3
69.92587	1.5
73.01138	1.4
75.02705	0.5
79.05498	1.0
79.52381	0.3
81.03458	0.5
81.07060	1.8
83.04985	1.5
85.01134	1.1
85.02904	0.4
86.99065	19.6
87.04478	8.1
87.04981	0.7
88.58786	0.3
89.04259	1.1
91.05486	1.1
93.07051	1.8
95.04948	0.6
95.08628	1.4
97.06557	0.5
98.98477	100.0
99.02689	2.6
100.98896	0.4
103.02200	0.6
103.05467	0.4
105.00102	37.2
105.07047	1.1
107.08602	1.0
109.02901	0.4
109.10182	1.0
112.28302	0.4
116.99516	1.5
117.03732	6.8
119.01660	0.7
119.04954	0.7
119.08611	1.0
121.06552	0.6
121.10156	2.9
123.04409	1.7
123.08102	0.5
123.11703	0.4
125.06064	0.5
131.04968	0.4
133.66219	0.4
135.11734	0.4
137.05969	0.9
137.09641	0.7
139.03931	0.5
139.11194	21.4
140.01103	0.7
145.03200	6.2
147.04407	1.8
147.11630	0.5
149.02684	3.8
149.06000	0.4
149.09729	0.6
150.68301	0.4
151.03911	0.4
151.07573	0.5
163.04265	13.7
165.05482	2.4
165.09151	1.2
167.10721	0.6
174.99240	10.5
176.98940	4.7
177.05484	9.4
183.04771	0.5
183.10173	0.4
191.03738	6.9
191.07053	0.4
204.06612	0.6
204.09544	0.4
207.06566	1.3
207.13828	3.0
209.09718	0.7
227.07059	2.3
239.11115	1.0
251.00150	0.7
252.99715	1.7
255.06564	4.7
283.06082	6.5
283.13611	0.8
311.05518	7.6
311.08942	0.6
329.06589	0.7
329.10236	4.8
329.14133	3.2
343.51569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
55.05519	4.2
57.03440	1.1
57.96550	0.7
62.58673	0.7
65.56967	0.7
67.05510	9.7
69.03445	1.2
69.07073	7.2
70.23045	1.2
70.23401	2.4
71.04991	0.9
79.05503	5.8
81.03416	1.3
81.07065	14.1
83.04959	1.3
83.08630	2.7
85.06550	1.1
91.05495	5.6
92.26263	0.7
93.07051	7.5
95.04968	2.3
95.08618	5.7
97.06525	1.7
97.10170	1.3
98.21444	0.8
98.98476	100.0
105.07048	6.4
107.08609	5.0
109.06556	1.0
109.10197	3.3
109.47665	0.7
111.04457	1.1
111.08100	1.3
116.99517	2.1
117.07044	2.3
119.08603	3.9
121.10171	3.0
123.08112	1.3
123.11659	1.1
131.08611	2.5
133.10120	5.2
135.11693	5.4
137.09622	1.0
140.01103	0.9
140.64403	0.7
143.08589	0.8
145.10130	2.1
147.11722	2.6
149.09636	1.7
149.13248	2.4
149.23532	0.8
150.90436	0.7
151.11211	0.9
157.10132	1.1
159.11703	2.0
163.11259	1.2
168.24197	0.7
174.99245	9.8
175.99590	2.4
176.98979	3.1
177.12747	1.6
181.12263	5.9
195.13904	4.6
199.13287	1.7
205.38257	0.7
232.96501	0.8
235.16983	1.0
239.18137	0.8
252.99789	1.6
275.20081	7.7
293.21234	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01869	2.3
55.05518	10.4
57.03426	2.8
65.03930	1.7
67.05506	25.7
69.03432	1.2
69.07072	18.6
69.74869	5.4
71.04981	2.9
79.05074	1.5
79.05494	18.9
81.03417	1.9
81.06590	2.0
81.07059	33.7
83.04974	3.7
83.08623	6.0
85.06517	2.3
91.05482	12.6
93.07045	15.3
95.04956	4.9
95.08610	14.8
97.06542	6.1
97.10172	1.2
98.09689	2.2
98.37997	1.0
98.98470	100.0
99.08077	1.3
99.98872	1.3
105.07023	13.7
107.04922	2.4
107.08598	10.2
109.06496	4.2
109.10172	6.9
111.08064	2.5
116.99503	1.9
117.07021	4.0
119.08583	13.9
121.10147	6.8
123.08059	4.9
123.11703	3.4
125.09649	1.7
129.06993	2.1
131.08559	5.2
133.10135	10.2
135.08086	1.2
135.11705	11.8
137.09644	3.4
140.01057	1.2
143.08578	1.6
145.10095	4.1
147.11714	7.2
149.09676	2.3
149.13252	3.1
151.11133	1.4
159.11673	4.3
161.13261	2.1
163.11189	3.3
165.12796	2.1
173.13243	1.5
174.99208	10.7
175.99623	1.7
176.98956	5.6
177.12781	2.4
181.12216	9.1
189.11198	1.8
193.12302	1.4
195.13811	7.2
213.05995	1.0
237.14796	1.4
250.99924	1.2
252.99605	1.4
257.19064	1.5
275.17307	1.7
275.20062	19.0
293.21014	4.1
328.18848	3.1
336.04160	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09584	1.2
53.03939	2.3
55.05511	10.6
57.03437	4.1
58.68892	1.3
67.05177	2.2
67.05509	28.2
69.03417	1.8
69.07075	19.1
71.04981	3.9
79.05497	20.6
81.03410	2.3
81.07054	41.2
83.04974	5.5
83.08620	5.1
85.06538	2.9
91.05485	17.9
93.07052	24.3
95.04974	7.4
95.08611	19.4
97.06525	6.0
97.10153	4.2
98.09695	2.0
98.98470	100.0
99.08099	2.1
105.07040	16.6
107.05002	3.2
107.08606	12.3
109.06511	6.1
109.10167	5.1
111.08080	3.3
117.07024	3.6
119.08587	15.4
121.06508	2.2
121.10148	7.6
123.08070	4.5
123.11716	4.4
125.09636	4.1
131.08554	5.8
132.19754	1.6
133.10150	13.0
135.08046	3.2
135.11676	11.2
137.09602	2.8
139.11143	1.6
145.10127	5.8
147.11691	12.7
149.09683	3.7
149.13229	3.6
159.11710	3.8
161.13297	2.2
163.11201	4.7
165.12772	2.1
173.13361	2.4
174.99223	10.6
175.99777	1.8
176.98874	2.7
177.12700	2.2
181.12195	12.7
195.13821	5.9
199.13202	1.7
229.19135	2.0
237.14909	2.0
239.18045	3.0
242.08423	1.5
247.20097	1.6
252.99783	1.5
256.69727	1.5
257.19058	3.3
275.20050	19.0
293.21194	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	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.4
55.05515	47.3
55.77114	1.1
57.03455	1.5
58.30002	1.2
58.46616	1.0
59.05000	1.5
67.05509	15.4
69.03439	7.4
69.07074	25.9
70.57362	3.6
71.04995	1.4
79.05499	26.9
81.07062	16.2
83.04977	5.2
83.08624	37.5
85.06572	2.8
86.06094	1.2
91.05479	11.4
93.07046	10.5
95.04963	2.4
95.08635	8.0
97.06531	3.5
97.10179	73.5
98.09724	1.9
98.98475	81.6
101.09697	2.0
104.80019	1.3
105.07044	14.9
106.42178	1.2
107.04982	1.6
107.08601	78.6
108.20655	1.2
109.06524	2.6
109.10147	4.2
111.08084	3.0
116.10735	4.2
116.99557	1.6
117.07021	3.1
119.08606	8.0
121.10157	3.2
124.11221	1.6
125.09639	63.0
131.08586	3.4
133.10115	9.3
133.40590	1.4
135.08051	5.3
135.11694	2.9
143.08530	1.6
143.10678	4.3
145.10165	6.7
147.11705	5.1
149.09639	5.4
153.09142	3.2
157.10107	1.6
159.11665	3.6
161.13275	3.6
171.10213	11.8
171.11537	1.9
173.13235	1.7
174.99286	6.7
176.98975	2.1
179.14301	3.0
181.12225	3.1
187.66866	1.4
189.11232	100.0
191.14423	1.7
229.19481	1.7
239.18027	1.7
247.20683	2.2
257.19110	9.9
275.20068	82.9
284.01956	1.2
293.21185	8.2
310.23944	1.5
328.24789	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	328.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36589	0.8
55.05511	1.3
57.03437	2.0
59.05006	50.6
60.04785	0.7
61.02927	1.0
68.90322	0.8
69.03431	1.7
70.78374	1.2
70.78720	1.8
71.07716	0.7
73.06559	100.0
85.02912	11.4
91.09013	0.8
97.02914	1.9
98.98471	18.6
109.02880	0.8
117.09134	10.8
127.03211	1.6
131.10686	11.5
133.24841	0.7
139.43982	0.9
145.05014	1.4
148.07559	1.3
149.11740	66.9
170.52994	0.8
174.99219	2.3
215.76773	0.8
225.10658	1.1
284.17776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01866	0.2
57.03429	0.3
58.51569	0.2
59.47178	0.1
61.02914	0.5
69.03441	1.1
70.56739	0.5
73.02912	0.2
74.63774	0.2
77.03898	0.3
79.05492	1.9
80.05006	0.9
81.03418	0.5
85.02905	1.7
91.05492	1.7
92.04991	0.5
93.05766	0.4
93.07050	2.2
95.04961	0.5
97.02885	0.4
98.98470	5.0
103.05465	4.2
105.05775	0.6
105.07044	0.3
106.06551	0.2
107.04920	0.2
109.02872	0.3
111.11942	0.2
118.06547	0.7
119.07314	0.4
120.08109	11.8
127.03920	0.3
130.06538	2.8
133.05214	0.4
147.06720	0.2
148.07576	100.0
149.07916	0.8
153.96686	0.2
166.08641	6.3
174.99217	0.3
328.13998	0.4
347.86288	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	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08360	2.2
51.02386	3.0
53.03934	6.5
53.67854	2.2
55.01874	3.3
55.05502	10.0
57.03428	4.0
57.07075	6.2
65.10715	2.0
67.05512	25.6
68.82655	2.5
69.03416	3.2
69.07062	10.8
71.30152	4.5
72.92921	2.3
79.05507	20.8
81.03399	3.6
81.07063	27.1
83.08617	5.2
85.06567	4.4
87.48844	2.3
91.05486	33.5
92.83292	2.1
93.07045	63.7
95.04971	62.1
95.05566	3.4
95.08606	41.6
97.06552	15.9
98.98476	100.0
105.04513	5.1
105.07042	54.9
107.08595	28.5
109.06525	10.6
109.10173	17.5
115.05461	4.7
117.07042	13.6
119.08598	49.8
119.09416	2.5
121.06540	12.9
121.10149	29.7
123.08093	12.9
123.11720	5.9
128.06227	5.8
129.06993	5.3
130.07761	3.5
131.08583	22.0
133.06485	2.6
133.10141	37.1
135.08073	9.2
135.11731	11.8
141.07005	3.2
142.07797	9.7
143.08585	19.7
144.09358	6.2
145.10115	32.2
147.11687	17.2
149.09608	4.7
149.13251	2.9
152.06223	11.1
153.06976	7.4
154.07832	2.8
155.08569	4.4
156.09363	3.4
157.10146	29.9
158.10893	3.2
159.08078	4.0
159.11696	34.7
161.09685	13.7
161.13310	3.0
166.91360	2.4
167.08614	3.9
169.10120	14.5
170.10870	3.9
171.11690	10.8
173.09541	3.6
173.13287	13.4
174.99231	20.5
175.14835	14.9
181.10106	4.1
183.11650	8.0
185.09624	2.4
185.13257	7.6
187.11212	6.6
187.14900	11.2
189.16437	4.1
195.11737	5.7
197.13289	7.3
199.14821	7.8
201.16411	4.6
205.10217	2.9
209.13249	7.0
211.14883	5.7
213.16467	5.3
217.15854	5.1
221.13214	3.8
225.16411	5.4
228.09453	2.8
233.03610	6.9
237.16476	3.2
251.04819	4.4
253.15819	3.9
281.22510	3.5
286.64392	2.3
309.22018	5.9
327.07791	32.4
327.23166	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	327.1591
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.02390	0.4
53.03976	0.6
55.01880	0.7
55.05507	0.8
55.11226	0.4
57.03451	0.6
65.03927	0.5
67.05508	0.5
69.07108	0.5
69.79414	2.4
70.06599	0.4
74.93068	0.4
79.05505	2.6
81.07072	1.8
85.02919	0.5
91.05490	4.4
93.07045	1.6
94.04192	2.4
95.04999	0.8
95.08645	0.6
98.21469	0.4
98.98477	89.6
100.85998	0.5
103.05476	16.3
105.07048	7.3
107.04964	3.4
107.08593	0.6
109.06517	3.2
109.10198	0.6
115.05456	1.2
116.99519	1.1
117.07030	1.9
119.04961	1.3
119.08586	0.6
120.05750	0.6
121.06520	6.0
121.10181	1.0
122.03656	6.8
123.04451	0.8
123.08071	1.5
128.06239	0.6
129.07016	0.9
131.04944	21.4
133.06506	33.6
135.08067	10.1
137.05991	100.0
140.01067	0.7
143.04915	1.3
143.08556	0.8
144.05679	0.4
145.06497	7.3
147.04446	0.7
147.08051	2.3
149.05978	2.2
149.07448	0.5
151.07561	14.1
152.90291	0.4
155.06015	0.5
157.06538	3.3
160.05246	0.9
161.05954	0.6
162.06757	1.0
163.07562	53.6
164.08040	0.4
165.09125	0.6
171.08078	1.7
174.99246	13.7
175.03940	0.6
175.07562	3.5
177.09105	1.6
181.06473	0.6
183.01497	0.5
187.07559	1.4
189.09160	2.6
195.08124	0.5
202.07742	0.9
203.10608	2.0
207.08084	0.5
220.08815	0.8
235.11160	2.2
235.13248	0.6
245.09650	1.4
248.08423	0.9
251.00111	3.2
263.10739	4.3
266.09540	1.0
281.08078	0.5
283.17554	0.6
295.13297	13.9
295.61447	0.4
312.13461	0.4
327.10474	17.7
327.15878	13.9
327.19562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0863
Annotation	Millettocalyxin A
Peak:m/z	Relative Intensity
55.05512	0.4
67.05489	0.6
69.03425	1.1
69.07050	0.6
69.87991	0.6
69.88390	1.4
74.32372	0.3
77.01612	0.5
77.03950	0.4
79.05482	0.6
81.03384	0.3
81.07068	0.7
85.02897	0.4
87.08117	1.0
88.08466	0.4
91.05489	4.5
93.07041	0.5
94.04205	0.3
95.04987	0.6
98.89551	0.3
98.98474	100.0
107.04992	0.5
107.08591	0.4
109.02863	0.5
115.05476	0.3
115.55267	0.3
116.98786	0.3
116.99486	1.7
119.04948	2.1
121.02905	0.9
123.04436	9.1
131.04964	1.1
137.05983	7.3
137.06953	0.6
140.01143	0.7
143.04932	0.6
147.04422	17.7
147.10202	0.4
148.05193	1.4
149.06073	0.4
151.03824	0.7
159.11769	0.3
163.03918	6.2
165.05432	0.4
174.99246	15.6
175.03920	64.1
176.04697	4.0
177.05508	1.0
187.03989	0.6
189.05487	6.8
203.03452	0.8
203.06978	0.4
205.04982	12.1
217.04979	1.5
221.06157	0.3
223.09729	1.0
251.00031	3.3
281.08197	0.8
283.17325	0.7
309.07507	1.5
327.08624	60.6
327.19751	1.1
328.08954	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	7.3
57.03433	5.1
61.02937	10.1
61.80962	2.1
69.03444	2.1
70.75558	5.2
70.75893	2.1
71.95253	2.4
73.02943	3.1
73.80321	2.2
75.41928	2.0
81.03407	3.3
82.11594	2.3
85.02905	6.7
98.97607	10.7
98.98483	11.4
100.07607	2.7
102.96869	2.8
109.02885	3.6
110.97570	3.5
112.99111	2.5
119.01854	4.6
124.99131	2.4
126.02600	3.0
127.02883	2.4
127.03889	4.9
128.98618	3.0
135.03123	4.1
146.08183	3.7
147.04430	4.0
155.00279	2.8
158.99663	2.8
174.99278	3.2
177.02266	2.0
196.99469	2.6
201.00844	3.9
220.04185	2.7
220.54349	9.2
223.56627	3.1
229.04744	8.1
229.54916	10.5
251.04419	4.9
252.04895	2.5
269.05453	5.3
285.52411	2.3
287.57336	5.2
311.06512	2.5
317.58212	5.1
327.04794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96710	0.2
55.71088	0.3
56.96564	1.8
61.02900	0.3
69.03423	1.2
71.53087	0.5
71.92719	0.2
77.01617	0.3
81.03420	0.4
83.04929	0.3
84.96037	0.4
85.02919	1.7
87.04472	1.0
88.04829	0.3
91.05486	0.5
95.04955	0.5
97.02890	1.1
98.98472	100.0
109.02921	0.5
110.97585	0.5
111.04492	0.2
115.03967	0.3
116.98619	0.7
116.99510	1.5
119.04948	0.4
120.05283	0.4
121.02847	0.6
123.04382	0.3
127.03904	2.3
128.98608	0.4
129.05493	1.9
130.05807	1.6
136.94350	0.3
137.05998	0.4
139.03909	0.4
140.01102	0.3
143.00108	0.3
145.05063	0.2
147.04439	1.6
147.06517	1.0
148.04807	0.5
148.06827	0.3
149.04767	0.2
153.01834	1.0
161.01213	0.3
163.03906	1.2
163.06018	0.2
164.07082	3.4
164.98648	1.1
165.07475	4.7
174.99236	16.2
177.00676	0.3
182.99677	4.1
189.00656	0.3
194.10358	0.3
195.10699	0.4
201.00702	5.0
210.98975	0.2
218.19040	0.3
219.01784	1.0
225.00696	0.3
237.02740	0.5
239.02336	0.3
251.00070	2.8
279.05322	0.3
312.92300	0.3
321.73245	0.3
327.04684	8.8
327.12952	2.0
345.05109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
56.05023	0.6
56.21965	0.4
57.03426	0.6
57.07074	0.6
67.05492	1.0
68.05000	0.8
69.07052	1.4
71.52868	0.6
79.05480	1.9
80.04984	1.4
81.03415	0.8
81.07072	2.8
83.08593	1.0
83.84732	0.5
84.04507	8.0
84.08134	0.7
85.02444	0.7
85.02910	9.5
86.09705	0.8
91.05455	1.7
93.07047	4.7
94.06578	0.6
95.08597	1.5
98.02396	0.5
98.97875	0.7
98.98478	9.6
100.04025	0.4
100.11237	1.2
102.05522	1.2
105.07030	1.6
107.08603	2.9
108.08124	18.8
109.08900	0.9
109.10117	0.5
110.09673	1.9
112.03932	0.5
114.05521	1.4
119.08584	0.8
121.10172	0.6
122.09677	10.1
123.10440	1.8
130.04967	0.5
131.04857	0.4
133.10127	0.6
134.09648	0.6
135.11717	4.4
136.11234	2.8
137.05983	1.6
140.10663	1.2
142.12271	1.3
148.11131	0.6
150.12791	22.9
151.13554	6.9
152.14354	6.8
153.15077	0.7
159.14958	0.5
160.06084	0.6
166.12263	0.7
168.10237	1.2
174.99239	1.4
178.15866	0.6
179.14357	0.8
182.11736	0.4
184.79677	0.4
190.15912	0.7
195.82419	0.4
208.13313	1.4
210.07640	0.8
228.12285	1.1
235.75697	0.4
236.16414	1.8
238.10770	0.6
252.12366	1.5
255.10300	0.5
264.16034	0.6
265.72015	0.5
268.07123	0.4
269.18610	0.8
274.63800	0.5
280.15649	0.5
282.17017	100.0
284.18747	3.7
308.18665	0.6
326.19641	73.5
345.59875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30451	0.8
54.79333	0.9
59.04993	1.1
61.02936	1.2
65.54013	0.8
69.03416	2.6
69.07075	50.1
70.07325	3.8
73.06535	2.4
85.02912	11.3
87.08115	100.0
97.02887	4.6
98.21393	1.2
98.97870	1.6
98.98475	24.1
100.11270	1.3
106.80409	1.0
109.02890	1.0
119.10707	23.4
123.38808	0.9
127.03938	1.8
128.10721	1.5
129.09131	1.4
145.04962	1.7
147.10175	55.9
174.99236	3.7
285.58359	1.0
326.11368	1.5
326.27994	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
55.05515	2.0
57.03434	0.9
59.05001	1.8
61.02925	3.4
61.04803	0.7
63.73635	0.7
67.05509	0.9
69.03420	3.0
69.07076	52.9
69.72079	5.4
73.06559	1.9
81.03419	2.2
81.07057	1.8
84.04514	2.9
85.02917	13.0
87.08116	100.0
89.06042	1.2
93.07053	1.6
95.61193	0.9
97.02887	2.8
97.06538	0.8
98.21542	0.8
98.98473	23.5
100.11259	1.7
108.08137	5.0
108.08790	0.9
109.02906	1.0
110.09729	1.1
114.09161	1.4
119.10707	24.7
122.09696	1.9
127.03973	1.3
128.10759	5.3
129.09119	3.0
145.04988	2.4
145.12219	1.2
147.04422	1.4
147.10181	69.2
150.12743	4.1
151.13568	1.9
152.14398	2.3
154.12289	2.3
156.10222	4.8
161.08643	0.9
163.71414	0.8
164.13708	1.3
168.13863	1.1
171.14915	0.9
174.99246	2.9
175.03935	3.9
218.66032	0.9
251.00027	1.4
281.18668	1.5
282.17017	20.2
291.46225	0.9
326.07550	4.1
326.15979	1.7
326.19659	15.3
326.24377	4.6
327.08755	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	326.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27105	1.5
53.03943	1.8
54.54832	1.3
55.01861	6.3
55.05270	2.1
55.05512	29.0
57.03423	5.1
59.04989	1.7
61.02929	10.0
67.05492	1.6
69.03427	14.9
69.07070	37.8
71.04984	2.3
71.52875	2.1
73.02900	5.7
81.03423	7.6
83.08620	97.0
85.02908	100.0
87.04469	2.8
87.08117	8.1
91.03940	8.2
96.96208	1.4
97.02891	27.1
98.98471	49.7
99.04443	4.3
100.11276	2.1
101.09653	19.1
107.04938	4.9
109.02895	7.9
111.08089	29.4
111.11664	1.8
127.03943	21.6
129.09125	87.3
145.04956	43.7
147.10164	19.7
147.13742	2.0
163.06071	8.1
174.99265	6.8
180.08769	1.6
200.72644	1.6
262.33096	1.4
266.08392	1.7
298.07770	2.5
308.09375	2.1
326.07364	10.1
326.10657	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	326.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.4
55.05484	0.8
56.96586	3.0
57.03408	1.0
61.02924	1.6
69.03087	1.1
69.03436	16.6
70.06596	0.6
70.33699	2.1
71.92053	0.6
79.05493	0.7
80.60397	0.6
80.73821	0.6
81.03410	1.4
83.04980	2.0
84.96051	0.8
85.02913	9.5
87.04476	29.9
90.28809	0.7
91.03957	0.6
91.05477	1.1
95.04957	1.3
97.02898	15.3
98.97613	3.7
98.98474	29.0
99.04468	1.2
101.06025	8.2
103.03983	0.9
109.02933	0.7
110.97610	0.7
112.82991	0.6
114.96477	0.5
115.03960	0.8
116.98634	1.4
116.99480	0.7
119.04965	3.8
119.05658	0.6
121.02891	2.5
123.04371	0.6
124.05098	1.7
127.03937	2.2
128.98582	0.8
129.05489	100.0
133.10110	0.5
136.07573	2.1
137.05974	2.2
139.03940	2.2
139.98364	0.7
145.04993	1.7
146.06024	3.0
146.07953	1.8
147.04590	6.2
147.06534	42.0
149.04727	2.7
158.99680	1.4
163.03922	2.2
164.07080	58.3
167.05769	0.7
174.99236	4.3
177.00798	0.7
182.99730	1.1
189.03986	0.6
194.10393	26.6
199.84756	0.6
200.05353	0.7
201.00731	1.5
219.01421	0.8
237.02766	1.2
250.99899	0.8
266.04688	0.7
326.12219	15.3
327.04391	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2739
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
51.35621	1.3
53.03937	4.2
55.01865	3.7
55.05273	2.0
55.05517	27.4
57.03423	3.2
57.07074	9.3
59.04987	2.6
67.05179	2.1
67.05511	31.8
68.68606	1.3
69.03416	5.1
69.07074	54.1
70.00428	1.3
71.04977	5.0
71.08625	3.6
73.06535	1.4
79.05503	16.0
81.03442	1.9
81.07063	100.0
83.05009	7.8
83.08620	22.5
85.02898	2.3
85.06526	8.5
87.04472	1.7
91.05477	16.4
93.06487	2.1
93.07051	38.9
95.04960	5.3
95.08614	80.4
97.02903	3.7
97.06527	9.3
97.10175	19.4
98.21514	4.1
99.08099	7.1
103.24789	1.4
105.07040	24.9
107.08614	25.3
108.08115	1.8
109.06524	7.2
109.10165	39.1
111.08085	21.4
111.11024	1.4
111.11719	6.0
113.09642	1.7
115.03940	4.1
119.08594	19.2
121.06455	1.9
121.10156	29.0
123.08054	4.6
123.11714	36.4
125.09621	6.6
125.13265	1.8
127.07539	1.6
131.08536	2.9
133.10152	8.5
135.11684	14.7
137.09639	1.7
137.13263	10.5
139.11188	9.4
145.10121	5.0
147.11696	31.7
149.09627	2.8
149.13268	9.9
150.12727	1.7
151.11115	3.8
151.13133	1.8
151.14819	6.9
153.12737	5.0
157.12221	2.0
159.11754	3.3
161.13258	4.5
163.11203	3.7
163.14841	4.4
165.12778	21.3
165.16309	2.2
167.10735	2.5
167.14301	2.3
169.12300	1.7
173.13235	1.7
175.11192	3.9
175.14842	3.5
177.12761	1.5
177.16422	2.9
177.66597	1.5
178.03880	1.4
179.14311	2.2
181.12253	5.2
183.13821	2.7
187.14825	1.5
189.16356	2.7
191.17981	3.5
193.12376	1.5
193.15817	1.6
197.18948	1.5
209.19058	5.4
215.17961	1.7
217.19565	1.6
220.63301	1.4
229.14307	3.2
235.20560	2.5
237.18625	1.8
271.24191	6.1
279.26785	3.5
280.22702	1.8
281.23007	18.3
283.06216	1.7
289.21222	1.1
289.22095	1.1
289.25134	6.9
295.26309	2.9
297.17056	6.9
307.15506	2.1
307.26315	22.9
318.48788	1.5
325.10846	2.1
325.16531	16.8
325.27725	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2738
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03946	4.1
55.01873	5.4
55.05268	2.2
55.05516	23.6
57.03438	4.6
57.07076	9.3
59.04997	5.3
67.05513	32.3
69.03426	6.4
69.07074	87.7
69.53516	12.3
70.06621	2.2
71.05002	5.4
71.08625	2.0
73.06534	2.0
79.05492	17.9
81.03428	3.8
81.07063	100.0
83.04986	6.5
83.08647	16.1
85.02916	14.4
85.06548	10.3
85.25288	1.8
91.05490	13.7
92.80151	1.9
93.07053	34.5
95.04977	6.6
95.08616	61.4
96.08932	2.2
97.02901	4.5
97.06544	11.6
97.10150	8.8
99.08108	6.5
99.72405	1.7
101.06035	2.4
105.07037	21.3
107.04985	2.0
107.08607	27.4
109.02774	1.8
109.06522	7.3
109.10169	33.2
111.08080	16.4
111.11731	20.2
114.57430	1.7
115.03945	3.0
116.88933	1.6
119.08591	16.8
121.10151	23.9
123.08125	4.7
123.11716	34.0
125.09642	4.0
125.13256	2.0
127.03934	4.3
127.07536	2.3
127.11221	3.9
129.06979	2.5
131.08553	3.5
133.10115	10.6
135.11726	14.5
137.09660	2.1
137.13278	12.7
139.11192	16.7
145.05017	3.0
145.10141	3.2
147.11685	31.3
149.09634	2.1
149.13292	11.0
151.11208	7.7
151.14824	6.7
153.12782	8.3
157.12253	2.6
159.11708	2.3
161.13295	4.6
163.06020	2.3
163.11186	4.5
163.14825	3.3
165.12755	20.8
167.14296	2.8
173.13242	2.8
175.14868	4.9
177.16441	2.9
179.14305	2.3
181.12210	5.5
183.13902	3.0
187.14856	2.0
189.16371	3.1
203.18083	2.2
203.73280	1.9
277.25192	3.2
284.06653	2.3
289.25223	9.9
293.50656	1.8
295.26346	3.9
297.17014	5.1
301.14468	2.5
307.26328	43.0
325.10617	4.4
325.16364	22.0
325.27509	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	325.2739
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03951	1.0
55.05518	13.9
57.03447	2.4
57.07085	5.5
59.05006	1.8
67.05513	8.9
69.03435	2.0
69.07075	100.0
69.79947	4.9
71.04996	2.8
71.08646	2.0
73.02910	1.0
73.06569	1.6
74.54585	1.0
79.05499	4.4
81.07063	37.8
83.05009	1.8
83.08630	7.7
85.06554	4.8
89.85879	0.9
91.05472	4.8
91.60874	1.0
93.07050	12.8
95.05003	1.5
95.08614	31.9
97.06541	4.3
97.10188	2.7
99.08088	7.3
99.10456	0.9
101.06020	2.2
105.07034	5.8
107.08595	10.4
109.06538	1.5
109.10166	18.6
111.08101	2.8
111.11737	24.9
113.00449	0.9
119.08597	5.1
121.10166	10.8
123.08089	2.0
123.11718	13.0
125.09666	1.3
127.11181	1.5
129.12755	2.2
131.13957	0.9
133.10147	2.7
135.11671	5.7
137.13306	5.2
139.11192	22.0
145.10135	1.1
147.11699	3.1
149.13287	5.7
151.11142	2.1
151.14838	3.4
153.12750	2.4
157.12288	3.3
159.11726	1.9
161.13283	3.8
163.14784	2.2
163.57999	1.0
164.93491	0.9
165.12758	4.1
167.14378	1.8
169.12303	1.2
169.63914	0.9
173.13329	1.5
175.14839	1.8
177.16434	1.1
178.59645	0.8
179.14343	3.8
187.14804	1.2
194.05838	1.0
201.16255	1.0
203.17883	1.4
245.22850	1.2
263.23825	1.4
271.24255	1.6
277.25543	1.9
289.25369	6.3
295.26337	3.0
307.26334	47.7
325.27420	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	325.1639
Annotation	CJ 12373
Peak:m/z	Relative Intensity
53.03949	2.8
55.01880	7.1
55.05516	13.3
57.03440	4.0
57.07075	1.3
59.05001	2.1
65.03933	1.7
67.05508	35.1
69.03430	4.4
69.07071	21.2
69.68695	3.2
71.05003	4.4
71.08630	0.9
72.64891	0.8
73.86168	0.8
79.05492	24.6
81.03399	1.8
81.07060	100.0
82.91022	0.7
83.04984	7.3
83.08618	7.9
85.02895	1.8
85.06525	5.0
87.04473	3.4
87.13202	0.8
91.05486	31.5
93.07043	17.7
95.04967	4.1
95.08610	29.6
97.02882	5.8
97.06538	9.0
97.10174	2.1
99.04470	1.0
99.08105	4.7
101.11761	0.7
105.07036	45.3
107.08604	14.7
109.06525	7.5
109.10162	6.2
111.08073	2.3
111.11709	0.9
113.05975	1.4
115.03934	13.7
115.04745	0.8
117.07031	1.3
119.08590	30.6
121.10149	22.8
121.81035	0.7
123.08054	4.2
123.11719	25.7
127.07558	1.7
129.06995	2.0
131.08598	1.4
133.06566	0.9
133.10133	6.6
135.11708	1.6
137.09628	0.9
137.13289	5.9
139.11229	1.2
145.10135	1.5
147.11693	90.1
148.12067	0.9
149.09589	1.2
149.13268	2.1
150.12746	1.0
157.10143	4.1
165.12764	59.1
166.13069	1.0
169.04974	6.1
175.11166	5.7
183.13809	6.5
187.06046	2.9
193.12289	8.0
211.13271	1.9
229.14328	11.7
233.15314	1.1
261.14972	1.5
269.12585	0.9
279.15863	6.4
280.22675	0.9
281.17307	1.2
281.23065	7.6
289.25259	1.2
296.80844	0.7
297.16986	36.6
307.15448	5.0
307.26346	2.9
325.16364	86.3
325.25189	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	325.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01880	7.1
55.05516	13.3
57.03440	4.0
57.07075	1.3
59.05001	2.1
65.03933	1.7
67.05508	35.1
69.03430	4.4
69.07071	21.2
69.68695	3.2
71.05003	4.4
71.08630	0.9
72.64891	0.8
73.86168	0.8
79.05492	24.6
81.03399	1.8
81.07060	100.0
82.91022	0.7
83.04984	7.3
83.08618	7.9
85.02895	1.8
85.06525	5.0
87.04473	3.4
87.13202	0.8
91.05486	31.5
93.07043	17.7
95.04967	4.1
95.08610	29.6
97.02882	5.8
97.06538	9.0
97.10174	2.1
99.04470	1.0
99.08105	4.7
101.11761	0.7
105.07036	45.3
107.08604	14.7
109.06525	7.5
109.10162	6.2
111.08073	2.3
111.11709	0.9
113.05975	1.4
115.03934	13.7
115.04745	0.8
117.07031	1.3
119.08590	30.6
121.10149	22.8
121.81035	0.7
123.08054	4.2
123.11719	25.7
127.07558	1.7
129.06995	2.0
131.08598	1.4
133.06566	0.9
133.10133	6.6
135.11708	1.6
137.09628	0.9
137.13289	5.9
139.11229	1.2
145.10135	1.5
147.11693	90.1
148.12067	0.9
149.09589	1.2
149.13268	2.1
150.12746	1.0
157.10143	4.1
165.12764	59.1
166.13069	1.0
169.04974	6.1
175.11166	5.7
183.13809	6.5
187.06046	2.9
193.12289	8.0
211.13271	1.9
229.14328	11.7
233.15314	1.1
261.14972	1.5
269.12585	0.9
279.15863	6.4
280.22675	0.9
281.17307	1.2
281.23065	7.6
289.25259	1.2
296.80844	0.7
297.16986	36.6
307.15448	5.0
307.26346	2.9
325.16364	86.3
325.25189	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	325.1395
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
55.01862	0.3
55.34236	0.2
56.96568	4.5
57.03433	0.6
60.95850	0.3
61.02931	1.5
65.03941	0.3
69.03432	1.8
69.07038	0.2
69.89406	1.0
70.98112	0.7
71.04990	0.4
73.02930	1.0
81.03440	0.9
84.08102	0.2
84.31277	0.2
84.96041	0.4
85.02905	3.9
87.04482	0.5
87.34954	0.2
91.05486	2.2
92.05824	0.2
97.02884	1.5
97.96807	0.3
98.20866	0.2
98.97591	5.7
99.04450	0.5
99.97935	0.3
100.07645	0.4
101.00877	0.2
102.96835	0.3
106.66087	0.2
109.02878	0.6
110.01360	0.2
110.97543	1.0
111.00228	0.3
112.99121	0.3
115.00689	0.2
115.03957	0.2
116.98632	2.3
117.01908	0.3
117.05772	0.4
118.01007	0.3
118.06542	3.4
119.01817	0.4
119.04941	2.2
120.05286	0.3
124.99112	0.4
126.00716	0.2
127.01550	0.2
127.03937	1.4
128.02290	0.2
128.98587	1.1
130.93292	0.7
131.00183	0.7
132.00740	0.3
132.96320	0.2
132.98041	0.2
133.01642	0.3
133.07629	3.9
134.99675	0.9
135.04405	0.3
137.05968	0.3
139.03920	1.2
140.98634	0.2
143.00163	0.7
145.07617	100.0
146.08385	2.0
146.99632	0.8
147.01295	0.2
147.03268	0.4
147.04411	7.1
147.09175	0.6
148.04729	0.9
149.01254	0.3
153.55923	0.2
154.93289	0.4
156.03619	0.3
158.99667	0.9
161.01222	0.5
162.05496	0.3
162.99214	0.3
163.03912	1.6
163.08675	58.6
164.04312	0.2
164.08952	0.3
164.92747	0.2
165.00635	0.4
168.01776	0.9
169.00116	0.2
170.99663	0.6
172.94341	0.9
172.97627	0.4
174.01845	0.2
174.97630	0.2
175.02666	0.2
177.00708	0.7
177.02351	1.1
177.03954	0.2
179.00179	0.2
184.03021	0.3
189.00758	0.5
189.02426	0.2
189.04451	0.2
190.95407	0.6
190.98669	0.7
191.02345	0.3
191.03993	0.2
193.00215	0.3
193.01852	0.2
193.03658	0.3
198.02890	0.7
201.00822	0.5
201.04190	0.2
205.00208	0.5
207.01718	0.3
207.03461	0.3
210.02924	0.7
214.03947	0.2
214.95410	0.4
214.98778	0.2
216.04649	0.6
216.96744	0.2
217.05484	0.3
219.01741	0.7
219.03566	0.9
219.53629	0.2
220.04243	0.5
223.01247	0.5
228.03923	1.0
228.05916	0.6
228.56451	0.3
229.04761	0.8
232.02196	0.3
232.96452	0.3
235.06531	0.6
235.08963	0.2
237.02802	0.6
237.06175	0.3
243.01851	0.4
244.06985	0.3
251.04474	0.3
253.07785	0.2
257.04703	0.3
258.98099	0.5
260.96014	0.4
260.99417	0.3
269.05447	0.6
279.00604	0.3
293.05325	0.5
300.95435	0.2
302.96936	0.3
311.06607	0.3
320.98257	0.3
325.13953	85.5
326.14261	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44064	0.3
53.03955	1.7
55.01884	1.7
56.46428	0.3
57.03440	2.7
59.05000	0.4
61.02917	0.7
69.03438	14.2
69.89452	0.4
69.89724	1.5
70.06601	0.5
71.01349	1.1
71.05001	5.2
73.02914	1.0
81.03428	16.0
83.08624	0.6
84.08174	0.3
85.02893	1.0
87.04476	0.5
91.05491	1.5
92.28882	0.3
95.04963	0.3
97.02891	0.4
98.20848	0.5
99.04465	5.8
101.26757	0.3
105.07037	0.5
116.04993	0.3
117.05497	1.5
118.06561	4.0
123.08022	0.3
129.09131	0.5
133.10149	0.4
137.05975	0.7
142.03362	0.3
145.07631	5.7
147.08005	0.5
147.09174	7.7
147.10274	0.5
151.03943	0.3
151.07562	0.5
153.01918	0.4
157.99115	0.3
162.07913	1.2
163.07491	0.7
163.08710	1.1
168.63972	0.3
173.07123	11.4
174.94579	0.3
175.08691	6.4
189.10336	0.4
190.07520	0.4
191.08176	100.0
192.08557	0.5
205.09801	0.3
213.10197	0.4
215.11809	0.9
231.11243	0.7
233.09279	1.5
245.09518	0.3
271.10709	0.5
281.14981	0.4
282.17023	1.2
289.11716	1.5
307.12909	34.1
325.13974	34.8
326.14209	0.3
326.19547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1397
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03942	0.8
55.01876	0.9
55.93517	0.5
56.94320	0.5
56.96558	1.0
57.03446	4.7
59.05009	0.6
61.02934	2.2
61.44444	0.5
62.70470	0.5
63.75082	0.4
63.85374	0.4
65.03945	0.7
67.05510	1.1
69.03437	9.7
70.06594	1.3
71.01362	1.7
71.05006	2.7
71.53607	0.6
72.93784	1.0
73.02917	1.2
75.04486	0.7
79.05504	0.9
81.03437	1.1
81.07063	1.0
81.91814	0.4
84.04492	0.7
84.08146	4.1
84.96062	0.6
85.02906	2.6
86.09711	0.9
90.94874	0.6
91.05486	14.0
91.06023	0.9
92.05844	1.0
93.03394	0.5
93.07086	0.6
95.04985	0.6
96.08154	0.6
97.02933	0.6
97.06550	0.5
98.97605	2.4
99.04462	2.0
101.29127	0.5
102.05558	0.5
105.03404	0.5
105.07061	0.9
107.08597	0.6
108.08128	2.4
109.02886	0.5
109.06521	0.9
109.10210	0.5
110.10455	0.7
110.97623	0.6
114.36848	0.5
117.05550	0.6
117.07031	0.5
118.06567	1.7
118.94282	0.5
119.04963	4.3
120.05286	0.7
121.02869	1.4
127.03912	0.8
130.05042	3.7
130.08688	0.6
131.06082	0.6
132.06847	1.2
132.95869	0.8
133.06540	1.0
134.71729	0.4
135.11693	0.7
144.95859	1.6
145.05005	0.5
145.07620	8.1
146.08447	0.9
147.04436	10.6
147.09186	97.6
148.04764	4.2
150.12772	0.5
152.14363	6.8
158.97427	1.8
159.09184	3.6
160.10013	1.0
161.05838	0.7
161.10779	0.8
162.96904	0.7
163.03929	0.6
165.59955	0.5
173.07156	1.9
173.10707	0.8
174.96989	1.0
179.03459	0.6
185.10782	1.1
191.08177	100.0
191.95683	0.5
192.99707	0.4
196.16959	1.8
199.08804	0.6
199.12334	0.6
207.03006	1.0
216.98027	1.1
219.01736	1.1
234.99010	4.1
236.20146	1.7
237.02687	0.8
263.13992	2.9
264.15823	0.6
267.06558	0.7
281.15005	45.8
281.18503	4.5
281.22198	3.0
282.15375	0.6
289.11813	0.8
296.06784	0.8
297.07565	1.3
307.12903	7.5
309.06461	1.0
325.03647	8.1
325.07153	10.7
325.13953	96.1
325.21249	3.1
325.24396	6.7
326.14017	0.7
327.07520	2.0
328.07843	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2534
Annotation	Melophlin G
Peak:m/z	Relative Intensity
55.05508	0.7
56.05031	0.5
59.04978	1.2
67.05488	1.0
68.05006	0.7
69.07073	10.0
69.12621	0.3
71.04990	0.5
71.19267	0.6
73.06558	2.3
74.44473	0.3
79.05495	2.0
80.05016	0.6
82.00201	0.3
82.06563	0.3
83.08615	0.4
84.08123	0.6
86.09683	1.3
87.08104	1.4
91.05471	0.6
93.07053	3.5
94.06564	0.6
95.07316	0.3
95.08618	2.1
96.08106	0.7
97.06561	0.4
98.09678	1.7
101.06001	0.5
105.06999	0.4
107.08608	2.1
108.08121	16.2
109.08898	1.2
109.10144	0.6
110.09697	2.4
112.11212	0.4
113.09592	0.3
119.08567	0.9
121.10183	0.3
122.09676	9.3
123.10466	2.0
123.11711	0.5
124.11219	0.4
129.09090	1.0
130.12286	0.6
131.79440	0.3
133.10104	0.4
134.09637	0.4
135.11703	2.7
136.11232	3.3
137.13228	1.0
138.12772	0.4
150.12782	22.6
151.13567	7.5
152.13184	0.4
152.14362	6.1
153.15120	0.5
161.13177	0.5
164.14394	1.0
166.12305	0.7
166.15894	2.0
171.28081	0.3
178.15860	0.6
179.14313	0.6
192.17447	2.2
194.11833	0.9
196.16988	0.3
208.13310	0.9
220.20596	5.3
222.22006	0.4
224.16435	1.3
226.18021	2.5
236.16516	0.4
250.18013	1.5
251.18538	0.4
252.23320	0.4
264.23172	0.4
278.21112	1.5
280.22720	100.0
281.23083	1.1
282.24310	3.7
306.24878	0.4
324.25345	78.0
325.25650	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2533
Annotation	Melophlin G
Peak:m/z	Relative Intensity
53.03924	0.5
55.05480	1.7
56.05018	0.9
57.07016	0.5
57.54931	0.5
59.05003	2.0
61.84267	0.4
67.05505	2.2
68.05820	0.4
68.17023	0.4
69.07069	10.8
69.07431	0.4
69.14841	0.4
70.31495	0.4
70.64362	1.2
71.04991	0.5
72.20816	0.4
73.06555	2.5
79.05489	2.1
80.04977	1.2
81.03391	0.5
81.06670	0.4
81.07049	4.5
82.06545	0.6
82.07339	0.9
83.08598	0.9
86.09676	1.0
87.08067	1.2
91.05444	1.2
93.07046	4.3
94.06520	0.8
94.07352	0.5
95.04968	0.8
95.08611	5.2
96.08054	0.7
96.08905	0.5
97.06517	0.8
97.10136	0.7
98.09693	2.1
100.11275	0.6
101.06012	0.7
101.60096	0.4
105.07041	2.8
107.08598	3.4
108.08119	21.2
108.08858	1.0
109.08843	1.7
109.10155	3.6
110.09645	2.3
110.10451	1.2
111.07993	0.5
119.08595	2.3
120.08852	0.8
121.08932	0.4
121.10090	1.9
121.74651	0.4
122.09669	9.8
123.10393	1.9
123.11676	1.7
124.11212	0.8
124.12034	0.5
127.11187	0.5
129.09062	1.1
130.12206	0.4
133.10095	1.2
135.11684	2.4
136.11185	4.1
137.13223	1.1
147.11720	2.1
148.11174	0.6
149.13179	0.5
150.12772	25.4
151.13577	8.2
151.14735	0.6
152.14352	6.7
161.13194	0.9
164.14339	1.0
166.15883	2.7
178.15816	0.6
192.17479	1.4
194.11670	0.7
203.17975	4.5
208.13345	2.2
220.20627	6.0
224.16463	1.5
226.14346	1.7
226.17976	2.4
236.16667	0.5
250.18036	1.3
252.23193	0.6
278.21161	1.0
280.22711	99.7
281.23013	1.0
282.24255	1.8
306.25079	1.0
324.25336	100.0
325.25687	1.2
325.85910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2171
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01859	0.3
55.05516	1.1
57.94529	0.3
60.99348	0.3
67.05501	3.6
69.07070	9.0
69.77868	0.4
70.98219	0.6
70.98547	0.5
79.05500	3.0
81.07056	6.8
83.04982	4.0
86.09709	100.0
91.04912	0.4
91.05486	8.8
93.07047	11.4
93.61871	0.3
95.04975	2.5
95.08629	2.3
97.06527	0.4
105.07035	13.3
105.61436	0.3
107.04988	0.4
107.08595	4.0
109.06524	8.4
109.10146	1.1
111.08104	2.5
117.07040	0.6
119.08580	4.5
121.06508	0.4
121.10110	1.0
122.02694	0.4
123.08067	0.8
123.11746	1.0
128.10715	4.6
128.11577	0.6
129.07008	0.6
131.08553	4.7
132.10210	30.7
133.06502	0.9
133.10135	18.3
135.08087	0.6
142.07732	0.4
145.10164	0.3
146.48093	0.3
147.08070	0.6
147.11696	12.4
149.09621	1.8
149.13268	1.4
151.07619	2.9
151.11191	43.7
156.10219	1.3
157.10104	0.6
165.12766	1.8
167.14319	0.6
175.11188	4.5
192.13881	0.6
192.62560	0.4
193.12257	4.0
203.17966	1.0
210.14928	0.8
222.14822	0.7
260.20087	6.6
278.21164	31.0
306.20615	7.5
324.21698	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	324.1959
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
53.03942	0.5
69.16277	0.3
69.49143	2.0
79.05495	13.2
81.07065	0.5
84.85113	0.4
91.05472	0.5
93.07042	1.5
95.08590	0.5
95.68365	0.3
102.04652	0.3
103.05470	29.6
105.04520	0.3
105.07048	1.8
107.04956	16.9
107.08603	0.4
109.10167	0.6
118.06545	4.2
119.08593	0.9
119.93769	0.3
121.06501	1.3
131.04930	9.4
132.08095	1.6
133.08867	0.9
133.10123	0.4
134.09541	0.3
142.62022	0.3
146.09636	1.4
147.11690	0.8
149.05980	0.7
160.11224	0.7
176.14351	40.6
189.15146	0.5
203.17934	0.6
204.10262	0.4
217.46899	0.4
233.14148	0.4
266.11801	0.4
280.13428	0.6
324.19577	100.0
325.19873	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92619	0.7
55.05517	1.5
57.03434	1.6
57.07064	2.6
60.81591	0.7
65.02776	0.8
67.05499	1.9
69.03415	2.3
69.07059	1.0
70.97974	0.9
71.04996	14.2
73.06556	1.9
79.05483	0.8
81.03417	0.9
81.07053	1.1
83.08607	2.1
85.02905	8.9
87.08097	0.9
97.02900	1.9
99.96564	0.7
109.02937	0.8
109.10164	10.1
127.03925	1.4
127.11192	30.9
145.04955	2.1
145.12238	100.0
211.73976	0.7
232.67911	0.8
260.13046	0.9
296.99823	0.8
297.03479	0.8
324.09421	1.4
325.07013	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	323.2582
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
51.96360	2.6
55.01876	5.3
55.05310	2.8
55.05521	31.0
55.32242	2.5
57.03451	3.7
57.07084	6.3
61.84265	2.7
62.83560	2.5
64.44273	2.5
67.05516	31.0
68.39603	2.5
69.03431	4.3
69.07074	41.2
70.55585	5.2
70.55952	5.9
71.05005	6.3
71.08641	3.9
79.05498	26.1
81.03429	5.3
81.06588	5.8
81.07063	100.0
81.71668	2.6
83.04992	7.7
83.08631	22.5
84.08143	11.6
85.06554	8.6
91.05511	14.7
93.07048	63.7
94.71768	2.7
95.04944	7.0
95.08614	95.7
96.12996	2.9
97.06531	18.3
97.10183	20.2
98.97575	3.9
99.08075	4.4
105.07040	29.3
107.07895	3.5
107.08606	55.1
109.06522	8.6
109.10162	57.5
111.08078	14.3
111.11732	5.8
116.38290	2.7
117.07032	3.2
119.08575	28.3
121.06496	3.4
121.10152	46.0
123.08104	3.8
123.11696	30.2
125.09641	17.0
131.08626	4.7
133.10118	23.9
135.11702	30.4
137.09650	5.3
137.13260	11.8
138.46672	2.5
139.11185	7.5
145.10146	8.9
147.11737	18.1
149.09633	5.0
149.13269	37.5
151.11176	9.0
157.10165	4.6
159.11728	8.6
161.09607	2.7
161.13280	16.2
163.14824	15.5
165.12790	6.1
165.16473	3.0
173.13266	6.1
175.14844	11.3
177.12660	3.7
177.16377	12.5
187.14784	3.5
189.16406	14.4
191.14359	3.0
193.12325	3.2
193.15895	4.8
210.36980	2.7
223.16943	3.7
257.22845	2.7
259.24179	8.6
269.22705	8.6
275.23599	4.0
277.25296	17.9
287.23712	7.3
293.24762	10.1
305.24774	45.3
323.18439	3.6
323.25983	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2583
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
54.07914	1.9
55.01873	2.7
55.05272	2.5
55.05516	29.8
55.59308	1.9
57.03426	2.9
57.07069	9.2
59.05005	3.6
67.05511	39.9
67.29279	2.0
69.03416	7.5
69.06731	3.6
69.07074	47.7
70.97399	3.6
71.04992	18.0
71.08643	2.8
79.05145	2.3
79.05501	26.8
81.07062	100.0
83.04990	7.7
83.08621	19.0
85.06541	7.4
91.05476	15.3
93.07051	75.0
95.04958	8.5
95.08617	89.7
97.06543	12.3
97.10182	18.9
98.97599	2.4
99.04404	2.0
99.08087	2.4
105.07047	31.3
107.04968	3.0
107.08601	57.0
109.06519	5.5
109.10167	56.7
111.08075	9.0
111.11716	8.5
113.09666	1.9
117.07021	4.1
119.08584	27.7
121.06486	2.8
121.10155	60.4
123.08047	4.8
123.11715	36.8
125.05971	2.9
125.09619	11.4
125.13252	2.3
127.11174	2.4
131.08566	3.7
133.10138	24.8
135.11691	35.8
137.09598	6.4
137.13232	10.2
139.11162	8.9
141.05676	2.0
145.10147	10.3
147.11693	18.3
149.13272	33.9
151.11168	7.8
151.14835	3.8
153.12726	8.4
157.12361	2.5
159.11711	7.5
161.13231	11.1
163.11209	12.3
163.14801	9.1
165.12839	3.0
165.16399	2.8
173.13181	2.4
175.14827	8.5
177.12752	3.4
177.16389	9.1
179.14326	3.0
181.12228	9.6
189.16403	8.7
193.15929	2.3
203.17958	5.9
209.15408	3.2
259.24139	8.7
269.22672	5.4
275.23712	4.5
277.25269	15.2
287.23734	10.2
293.24756	6.8
305.21353	3.3
305.24780	45.8
323.16888	2.8
323.25833	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2581
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
55.01873	2.0
55.05315	1.8
55.05516	18.1
57.03432	3.5
57.07071	6.1
57.36041	1.3
57.76552	1.6
59.04992	6.3
64.53812	1.5
65.03938	2.2
67.05176	2.4
67.05508	28.5
69.03432	11.2
69.07072	47.2
69.42152	12.3
71.01353	4.0
71.04996	37.1
75.10266	1.6
75.66067	1.5
79.05495	38.3
81.03384	1.7
81.07063	81.6
83.04988	9.3
83.08627	16.8
84.10791	1.6
85.02925	2.2
85.06535	7.1
87.04462	1.9
89.06041	12.8
90.17379	1.6
90.39582	1.4
91.05483	17.6
93.07051	83.1
95.04987	8.8
95.08614	66.4
97.06550	11.4
97.10168	4.6
99.04481	2.0
99.08060	3.9
105.07036	19.9
107.04948	2.8
107.08603	53.7
109.06505	4.3
109.10162	49.1
111.08093	11.0
111.11733	10.7
117.07010	3.8
119.08581	18.1
121.06502	5.1
121.10152	100.0
123.08082	5.1
123.11721	28.0
125.05996	6.8
125.09614	3.6
131.08556	4.2
132.10185	2.6
133.08586	4.0
133.10170	7.3
135.08087	2.4
135.11700	40.5
136.06636	1.5
137.09686	7.8
137.13245	4.5
139.07527	1.9
139.11171	7.8
143.08583	1.6
145.10143	21.4
147.11693	5.7
149.13292	11.1
151.11205	6.7
153.12729	13.5
157.10176	2.1
159.11743	5.1
161.13313	2.5
163.11195	27.0
163.14813	1.8
165.12717	3.6
173.13289	3.4
175.14774	2.6
181.12245	29.1
183.13921	1.7
189.16388	2.3
193.15843	2.2
195.12321	3.6
203.17931	1.8
230.21164	2.6
231.21414	4.6
287.23694	5.7
293.24402	1.6
294.29056	1.8
299.99756	1.8
305.24792	12.3
323.15131	1.8
323.25891	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2582
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.03946	2.5
55.01871	2.4
55.05270	1.9
55.05513	24.1
56.79898	1.2
57.03440	3.3
57.07074	6.2
59.04987	5.7
65.03933	1.3
67.05511	34.7
69.03430	13.9
69.07072	49.5
69.73550	2.7
69.73961	5.2
71.01328	2.1
71.04994	26.8
71.08636	2.4
79.05499	34.3
81.03417	3.4
81.07059	100.0
83.04989	10.1
83.08224	1.6
83.08634	16.1
85.02904	5.1
85.06538	6.8
91.05477	18.2
93.07048	80.2
95.04977	13.8
95.08611	67.1
97.02848	1.7
97.06536	12.0
97.10164	11.1
98.97617	2.6
99.04462	2.0
99.08074	3.8
105.04574	1.6
105.07033	26.7
107.04992	1.7
107.08596	53.5
109.06530	8.9
109.10159	48.5
109.11284	1.5
111.04444	2.4
111.08107	8.7
111.11698	7.3
115.07611	1.4
117.07040	3.1
119.08593	24.3
121.06496	3.5
121.10150	83.9
123.08071	4.7
123.11716	37.3
125.05991	4.3
125.09637	4.6
125.13248	1.8
127.07567	1.5
127.11237	1.6
129.06833	1.5
130.07791	1.9
131.08580	5.3
133.10120	15.0
135.11696	34.4
137.09674	6.3
137.13284	6.2
139.11191	10.7
143.08578	2.4
145.10133	17.6
147.08064	1.7
147.11691	19.7
149.09605	4.4
149.13268	13.9
151.11186	7.7
153.12755	10.7
157.10132	3.7
157.12227	1.8
159.11723	4.9
161.09602	1.9
161.13258	4.3
163.11203	22.3
163.14822	3.8
165.12747	7.2
167.10657	6.4
169.12257	2.5
173.13275	3.2
175.11128	2.4
175.14839	3.8
177.12741	1.9
177.16420	2.4
179.10760	1.6
181.12251	20.4
183.13780	1.7
187.14862	2.3
189.16444	1.8
191.17911	1.4
193.15866	2.8
195.13861	1.7
203.18021	3.0
213.16354	1.7
261.22031	1.5
269.22751	3.3
275.23584	2.0
287.23666	6.6
293.24860	2.6
305.24734	19.6
323.05396	1.3
323.15076	7.2
323.25839	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.258
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.03954	3.3
55.01855	3.7
55.05511	19.6
57.03428	3.7
57.07067	9.0
59.05000	7.4
65.03933	1.4
67.05179	2.7
67.05505	32.5
69.03432	10.9
69.07069	54.2
71.01330	1.9
71.04993	27.8
71.08606	1.8
71.53956	2.9
76.37650	1.3
78.21164	1.3
79.05493	33.4
81.03400	2.9
81.07056	100.0
83.04976	7.6
83.08617	14.8
85.02914	1.9
85.06523	4.6
87.04454	1.8
91.05474	17.4
93.07045	78.3
95.04970	16.2
95.08610	81.4
96.08870	1.6
96.51647	1.4
97.06529	14.3
97.10173	7.6
98.97575	1.4
99.04479	2.7
99.08086	6.5
102.84434	1.7
105.07037	29.8
107.04958	2.4
107.08593	54.5
109.06549	8.2
109.09380	1.7
109.10152	56.0
111.08081	7.3
111.11722	6.8
117.07005	4.7
119.08574	21.9
121.06495	5.0
121.10144	90.3
123.08078	4.9
123.11706	31.3
125.05983	4.3
125.09634	4.4
125.13297	1.7
129.06989	1.7
131.08563	6.7
133.10143	14.0
135.08070	2.3
135.11685	39.0
137.09604	6.3
137.13217	10.4
139.07529	2.2
139.11223	10.4
143.08583	2.8
145.06493	2.4
145.10114	19.2
147.11708	11.6
149.09618	3.6
149.13266	14.7
151.11206	6.1
151.14886	1.7
153.12743	13.8
155.10664	2.5
157.10194	2.6
159.11720	6.8
161.13255	6.2
163.07539	2.6
163.11185	19.4
163.14828	2.5
165.12752	4.7
167.10696	8.5
171.11676	2.3
173.13210	4.3
174.73569	1.5
175.07497	3.5
175.14818	4.1
177.16373	2.9
181.12230	18.3
185.13258	2.9
187.14832	2.9
189.16362	2.8
193.15904	2.9
195.13826	2.0
197.00629	1.4
199.14787	2.5
199.87212	1.6
201.16391	4.6
203.17824	2.8
213.16357	2.3
269.22540	3.4
282.06537	1.9
283.06287	5.0
287.23776	7.6
293.24698	2.9
294.08740	1.8
301.07367	2.3
305.11676	2.1
305.24768	21.6
323.12741	7.8
323.25830	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	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05177	1.2
53.03947	2.4
55.01880	2.4
55.05508	19.1
56.71088	1.3
57.07070	1.2
62.06090	43.1
63.06440	6.1
67.05507	19.1
68.05882	1.9
69.03445	5.2
69.07067	14.2
71.05012	1.9
74.87159	1.3
79.05494	14.6
80.05866	1.4
81.03438	2.4
81.07062	20.2
82.07405	3.3
83.04974	3.4
83.08627	8.5
83.27924	1.3
91.05494	10.1
93.07045	14.6
95.04998	4.4
95.08620	10.1
96.08958	1.8
97.02914	3.8
97.06531	1.5
97.10162	15.7
97.10684	1.3
105.07045	9.2
107.04970	2.9
107.08615	9.6
109.06520	1.3
109.10177	4.9
111.08162	1.9
117.07066	4.3
119.05018	1.7
119.08620	5.7
121.06598	2.3
121.10190	4.8
123.08131	3.8
123.11750	1.8
125.09648	15.3
131.08604	5.1
133.06529	1.6
133.10130	3.1
135.08118	3.8
137.09665	3.3
143.08559	1.7
145.10197	3.6
147.08057	4.1
147.11723	1.7
153.09134	1.6
159.11760	1.4
161.09636	1.9
165.09114	2.4
167.14444	1.3
171.11749	1.9
189.11366	1.5
203.12863	4.9
223.13277	12.2
237.14853	2.5
245.19098	2.0
249.14880	1.4
273.18613	6.4
291.19559	100.0
305.21121	17.8
323.24078	4.5
323.27875	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	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34633	1.0
55.01871	4.4
55.05517	4.6
55.16108	0.8
57.03441	30.4
57.07062	1.8
59.30616	1.1
65.03933	1.6
67.05510	22.7
69.07056	3.4
71.04996	3.1
73.31667	0.9
76.25743	1.0
79.05497	11.8
81.03400	0.9
81.07067	10.2
83.04968	2.0
85.06550	28.1
85.30817	0.9
91.05488	8.3
93.07046	9.7
95.04978	40.0
95.08604	6.0
97.06541	2.2
97.10142	1.2
105.07043	7.5
105.88671	0.9
107.04946	3.3
107.08607	8.2
109.05811	1.8
109.06524	31.0
109.10161	2.3
111.08058	1.2
113.06014	100.0
114.87723	0.9
117.07048	4.4
119.08556	3.8
120.92020	0.9
121.06505	2.7
121.10137	2.1
123.08048	2.4
129.07019	2.7
131.08571	6.3
133.09181	0.9
133.10132	2.2
135.08060	24.7
135.11670	3.0
137.09529	1.1
143.08551	2.9
145.10132	3.9
147.08017	2.5
147.11722	2.0
149.09618	3.0
149.13310	1.3
157.10112	2.5
159.08044	1.3
159.11703	3.3
161.09613	4.0
161.13246	1.2
163.11220	1.9
165.12776	1.6
171.11670	1.2
173.13275	1.2
175.11201	1.6
177.12721	1.9
183.11609	1.2
189.12796	1.3
195.13878	1.1
199.14839	2.5
201.12712	1.3
217.15880	6.6
227.17778	1.3
233.15494	1.4
237.16280	1.2
255.17461	1.5
273.18564	14.8
273.21344	1.7
291.19550	39.7
305.21024	5.1
308.97290	1.1
323.22086	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1126
Annotation	4-O-Cinnamoyl quinic acid
Peak:m/z	Relative Intensity
51.02377	0.4
53.03951	0.7
67.05491	0.3
69.03431	0.4
69.07059	0.3
70.68211	0.7
77.03928	0.4
79.05510	0.4
81.07083	0.4
83.04979	0.5
91.05476	0.4
93.03425	0.3
93.07064	0.9
95.04971	1.2
97.02888	0.3
97.10207	0.3
98.97601	0.3
103.05473	34.3
105.04523	0.4
105.06990	0.3
107.04933	0.3
111.04457	0.9
121.02901	0.3
121.06476	0.3
121.10168	0.7
124.07612	0.9
131.04935	100.0
132.05243	0.7
134.68794	0.3
136.07599	1.3
139.03864	0.3
147.04454	0.5
149.05991	0.9
155.58203	0.2
164.07109	2.4
177.05466	0.4
182.08153	1.9
251.58704	0.3
255.39899	0.3
283.06033	0.3
295.06287	0.3
295.09705	1.1
308.06610	0.3
323.05560	0.5
323.09082	6.2
323.15237	0.7
324.98911	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	3.7
64.07475	2.6
70.52181	6.0
72.94800	2.6
76.26838	2.3
93.52573	2.8
100.52374	2.7
211.69859	2.6
212.29903	2.4
251.04456	5.9
269.05457	6.1
269.47461	2.8
304.87921	2.6
323.07425	100.0
326.21545	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	323.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	41.2
57.03435	2.4
57.68468	1.0
61.02935	2.3
66.99660	0.9
69.03454	2.5
70.00367	4.9
70.98126	19.7
71.95275	3.4
72.96051	2.8
73.02938	1.3
74.97632	2.2
84.96064	5.4
84.99633	1.4
85.02914	3.6
86.97606	5.6
88.99153	5.2
97.02889	2.1
98.97600	100.0
103.00661	5.7
109.57793	1.0
110.97596	10.1
112.99161	4.8
114.97073	12.1
115.00708	2.8
116.07086	1.3
116.98632	29.0
117.02235	2.5
119.00166	1.0
119.01949	2.2
121.01666	5.4
124.95493	11.1
124.99137	1.6
126.97021	2.3
127.03904	1.2
128.98643	14.0
131.00259	1.7
132.98112	13.9
133.01720	3.8
134.99675	5.1
135.03136	2.0
135.04883	1.1
140.98631	4.1
141.01186	1.1
142.96542	6.4
143.00194	4.3
144.98079	3.6
145.01700	3.8
145.04869	1.2
146.99669	8.3
147.03340	1.3
149.01241	1.5
150.99162	8.3
152.94966	5.6
152.98610	2.0
154.96547	2.0
155.00301	1.6
156.98076	3.9
157.01678	2.0
158.99680	9.4
161.01245	2.7
161.04791	2.5
163.02739	3.6
165.00745	2.2
170.96048	19.2
170.99655	3.0
172.97668	6.0
173.01257	3.4
173.04816	2.0
174.99167	13.7
175.02789	2.8
177.00703	6.0
177.04263	1.2
184.97620	10.5
186.99135	3.4
188.97108	20.3
189.00700	9.9
190.98651	4.1
191.02316	2.3
193.00230	22.5
198.99234	1.6
201.00752	3.5
202.98683	15.8
203.02330	1.9
205.00284	2.8
206.98100	5.1
207.01811	4.6
211.01324	1.4
212.97113	6.8
214.98695	3.5
217.00243	8.1
219.01762	11.6
220.04124	1.4
220.06137	1.1
220.99739	17.0
223.04935	1.2
226.02321	2.0
230.98167	23.6
231.01663	2.4
232.99736	3.4
235.01315	3.8
235.04971	3.0
237.02850	6.5
239.00816	4.9
239.31902	1.1
244.99733	18.1
245.70647	1.2
248.99208	9.0
249.02812	7.7
256.51328	1.1
263.00818	32.9
263.04379	6.8
263.08197	1.5
267.03522	1.3
269.05554	1.4
281.01862	24.3
281.05481	14.3
281.09024	3.2
291.04306	1.2
299.03040	5.1
305.01813	4.6
323.02908	3.1
323.06549	10.9
323.10266	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	322.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59546	0.7
52.14710	0.7
55.73755	0.7
60.34426	0.7
61.02921	1.5
69.03427	2.1
71.04272	1.8
75.01085	0.7
79.05483	2.6
81.03414	0.9
81.07059	2.8
83.04996	2.6
83.08626	1.1
85.02908	4.6
85.18868	0.8
88.07565	0.8
91.05470	1.5
97.02902	0.9
107.08606	49.1
112.13261	0.7
125.09643	100.0
139.03984	0.9
142.06544	1.0
143.10751	0.9
147.04411	1.7
148.04865	1.2
149.02310	1.0
150.02742	1.3
153.01842	1.5
154.02238	2.0
160.07602	5.6
206.32883	0.7
208.38034	0.9
276.05878	2.5
304.05319	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
56.96568	49.6
57.03439	1.6
61.02919	4.0
68.96559	1.0
69.03425	3.8
70.68030	2.4
70.98126	25.8
71.95260	3.4
72.96049	1.6
74.97612	4.4
76.65623	0.9
76.66071	0.8
77.52087	0.9
80.85033	0.9
81.03420	1.6
84.91194	0.9
84.96024	4.0
84.99615	1.0
85.02917	7.5
85.22005	0.9
86.97612	5.2
87.04474	1.4
88.99158	6.0
97.02879	3.3
98.97591	100.0
99.04447	1.3
100.07620	1.6
100.99139	4.5
101.00890	2.5
103.00645	5.1
109.02849	2.0
110.97569	4.9
112.99128	6.0
114.97057	14.2
115.00671	4.3
115.03996	1.9
116.07064	1.5
116.98631	35.6
116.99471	2.1
117.02160	1.8
119.00144	1.0
119.01875	3.0
119.04980	1.0
121.01680	5.5
124.95470	12.8
124.99094	2.7
126.96157	0.9
126.97051	2.8
127.00722	1.5
127.02438	1.0
127.03904	3.3
128.98621	12.4
131.00156	4.0
132.98099	20.3
133.01685	4.4
134.99652	8.2
135.03168	2.7
139.03935	1.7
140.00160	1.1
140.98613	4.2
142.96513	6.4
143.00165	5.5
143.01868	2.2
144.98079	3.6
145.01659	4.4
145.03447	1.4
145.05028	1.3
146.08159	2.1
146.99681	11.2
147.03267	1.5
147.04355	1.9
149.01233	2.0
150.99136	12.8
152.04947	0.9
152.94974	5.6
154.96576	1.1
155.00150	1.4
155.01910	1.0
156.98123	3.4
157.01683	0.9
157.03423	1.4
158.99672	9.2
159.03227	1.0
160.97607	1.3
161.01234	2.9
161.02995	2.1
162.99112	2.5
163.02664	1.9
163.03894	1.3
165.00702	4.6
169.00285	1.2
170.96022	21.1
170.99648	2.9
172.97586	4.0
173.01215	3.9
173.02922	1.5
173.04645	1.0
174.97707	1.5
174.99171	22.2
175.02629	1.7
175.04532	0.9
176.03386	1.6
177.00722	6.1
177.04279	1.5
182.99626	1.4
184.97578	10.6
185.03969	1.1
186.99146	1.9
187.00812	0.9
188.97066	24.6
189.00690	11.0
190.98642	2.6
191.02235	6.0
193.00218	34.5
198.99203	1.0
201.00717	1.7
202.98656	18.2
203.02203	2.6
203.04018	1.5
205.00240	2.7
206.98169	5.9
207.01819	6.6
211.01329	4.2
212.97087	7.5
217.00180	7.4
219.01744	5.8
220.88965	0.9
220.99722	24.7
221.03146	1.3
223.04831	1.0
226.02321	1.6
229.04655	1.3
230.98137	22.8
231.01799	2.4
232.99655	1.4
235.01057	6.1
235.04912	2.6
237.02840	4.9
239.00710	8.1
242.05402	1.7
244.99709	22.5
248.99278	6.0
249.02820	6.7
251.04410	3.8
253.02216	2.0
253.99942	1.2
263.00775	44.1
267.03998	1.6
269.05444	6.9
279.03946	1.5
281.01855	29.3
281.05319	5.4
281.08557	1.3
286.02283	1.2
287.06216	1.3
291.03903	2.8
299.02832	8.0
305.01834	4.2
305.05862	1.6
309.04977	1.4
323.02792	3.0
323.06976	11.5
327.30270	1.0
341.07397	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	322.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.8
55.01865	4.8
55.05501	4.0
57.03429	5.6
67.05498	6.9
69.03429	10.2
69.07089	3.5
71.01319	1.9
79.05494	20.4
81.07054	24.7
83.04944	3.2
85.02885	5.5
91.05478	10.9
93.07050	8.5
95.01321	11.0
95.04958	5.0
95.08578	1.7
97.06526	16.8
98.20618	3.5
99.04444	3.0
104.66988	1.6
105.07053	3.3
107.04932	4.8
107.08598	2.0
109.06516	18.9
109.10155	1.8
111.08050	2.2
113.02351	2.7
117.07018	4.1
119.04949	4.2
119.08588	8.4
121.06477	7.9
123.04434	3.0
123.08079	3.8
125.05975	4.1
129.07001	1.7
131.08580	2.6
135.04405	2.7
135.08014	6.3
137.05981	7.0
139.03873	5.6
139.07564	2.0
141.01804	1.7
141.05508	2.5
145.06435	2.9
147.08020	8.8
149.06006	11.7
151.07565	2.3
155.07027	2.9
161.05890	1.7
163.03937	1.9
163.07521	9.2
165.09126	18.5
167.06985	2.8
175.07564	2.4
181.08582	7.7
183.10135	4.6
191.07039	7.4
193.08629	18.6
194.11234	1.7
197.04597	9.0
199.09645	4.3
209.08099	12.1
211.09669	14.6
219.06412	2.6
225.07458	2.6
227.09190	5.0
229.26140	1.8
237.07576	8.2
251.09169	3.4
255.08638	100.0
269.10150	5.4
272.11172	1.8
273.09723	16.1
294.38950	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01863	6.5
55.05503	2.5
57.03420	5.1
60.57332	1.5
65.03944	1.8
67.05486	4.0
69.03427	8.4
69.07049	5.6
71.01331	1.8
71.38033	2.8
79.05495	16.2
81.03441	1.7
81.07053	19.6
83.01324	1.7
85.02878	6.6
88.03936	1.4
91.05475	9.5
91.38667	1.4
93.07037	5.4
95.01334	10.1
95.04952	5.3
95.08578	2.4
97.02902	2.5
97.06550	12.9
105.07016	2.7
107.04964	5.2
107.08598	1.5
109.06514	10.2
109.10153	2.2
111.04464	2.6
113.02333	1.7
116.61900	1.4
117.07001	4.9
119.04935	4.7
119.08572	5.1
121.02846	1.7
121.06490	5.4
123.04402	1.8
123.08062	3.6
125.05990	4.1
129.06950	1.8
131.08582	3.1
133.06447	1.8
135.04431	2.3
135.08040	4.3
137.06027	3.2
139.03917	7.5
141.01810	2.9
141.05421	1.8
145.06453	2.2
147.04384	2.8
147.08044	6.2
149.05937	6.1
151.07576	2.5
155.07004	1.7
160.07672	1.7
163.03862	1.7
163.07492	10.3
165.09134	15.9
167.07074	3.5
175.07515	2.1
177.03961	1.8
177.05504	2.8
179.06821	2.1
181.08592	6.7
183.10164	7.1
191.07111	3.5
193.08606	18.2
195.06444	2.2
197.04436	7.6
199.09628	2.1
209.08119	7.8
211.09666	17.6
213.07547	1.5
219.06546	2.4
219.54292	1.5
225.07576	3.2
227.09145	3.9
237.07449	7.4
255.08646	100.0
269.10214	2.3
273.09729	23.4
290.12274	4.9
322.14810	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	322.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00328	3.1
55.01873	22.2
55.05499	13.2
57.03437	29.0
59.04996	4.8
65.20633	3.3
67.01865	8.9
67.05513	18.0
69.03422	12.0
69.07076	25.9
69.59829	22.9
71.01357	8.5
71.04995	8.3
71.75031	3.8
73.02908	10.4
79.05508	28.6
81.03403	3.6
81.06652	5.3
81.07068	54.9
83.01346	6.6
83.04966	6.4
83.08594	5.1
85.02907	9.7
87.00832	3.0
87.04472	14.9
89.02383	9.5
91.05480	19.2
93.07029	16.7
95.01311	11.0
95.04951	15.2
95.08603	8.3
97.02894	9.6
97.06537	88.2
98.97591	9.1
99.08098	31.8
100.11251	13.7
101.02390	24.2
103.03919	4.7
105.07016	10.8
107.08607	8.1
108.08135	4.8
108.45106	4.5
108.58002	3.6
109.06518	18.5
109.10117	6.2
110.06064	5.7
111.00784	8.5
111.04433	9.4
111.08031	4.1
114.05518	4.0
115.03918	46.3
115.05494	4.0
117.07024	6.5
119.04974	5.6
119.08569	9.5
121.02837	4.1
121.06521	11.0
121.10133	7.3
123.08017	4.3
125.05885	5.3
127.03888	5.2
129.01833	18.2
129.06992	4.1
131.08496	4.2
133.06496	13.0
135.08080	6.2
137.05974	9.8
137.09615	9.1
138.05516	3.3
139.03912	4.7
141.01755	4.4
141.11467	11.4
143.03404	61.1
145.06499	7.1
147.04408	5.8
147.08040	6.3
149.06001	6.9
155.03386	39.0
155.07025	5.9
156.25072	3.4
157.01335	47.8
158.99722	5.5
161.04469	13.6
161.05949	6.5
162.61366	3.3
163.07588	19.5
165.09154	12.1
167.07057	6.1
169.08499	3.8
171.02956	4.9
173.04436	17.5
173.05936	6.6
181.08636	8.0
182.15390	9.4
185.08055	5.0
189.03955	100.0
189.05513	5.9
191.07031	13.3
191.12344	5.6
193.08710	20.7
197.07980	4.8
201.03920	11.7
203.70407	3.2
204.66449	6.3
207.05005	40.5
207.06738	5.8
209.08093	12.8
209.16460	4.9
210.14847	11.1
210.70695	3.3
215.09366	5.1
218.66234	6.7
227.09201	8.4
237.07582	14.0
240.67604	8.3
241.10849	4.5
251.09024	4.5
255.08649	61.1
269.10291	18.1
282.19336	4.6
287.11224	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	321.9932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79272	0.4
55.99337	0.4
56.30077	0.4
56.96309	0.8
56.96566	11.9
58.96185	0.4
60.33167	0.4
61.02915	1.0
65.99883	0.5
68.40626	0.4
69.03426	0.5
70.22263	1.5
70.67301	0.4
71.95260	0.9
73.02907	0.9
74.45392	0.4
76.11137	0.4
84.96032	0.9
98.97591	18.5
101.00867	1.7
102.00951	1.3
102.96877	1.2
110.97591	0.9
112.99067	0.4
116.98620	9.0
119.01947	2.5
120.02036	1.3
124.99148	0.8
125.99291	0.4
128.98595	1.1
134.99666	2.0
137.02966	0.8
140.98793	0.8
143.00067	0.9
143.01958	0.4
144.01897	0.6
145.03452	1.1
146.03668	0.6
146.99669	0.5
154.88004	0.4
158.99872	1.7
161.01262	0.6
161.03030	0.6
162.00717	0.5
162.03091	1.1
162.99229	1.1
172.01486	0.5
176.97588	0.6
177.00951	9.5
182.99940	1.8
189.00792	0.5
189.02420	1.1
190.02583	1.8
196.28352	0.5
196.91031	0.7
201.00914	9.5
202.00832	0.5
209.97908	0.6
210.88953	1.0
210.94205	0.4
212.92261	0.6
214.92055	0.7
214.95595	0.5
216.01228	0.7
216.98714	1.8
218.98528	3.5
219.02017	100.0
220.02177	2.0
223.99866	0.6
224.02396	0.5
228.90065	0.7
229.91891	0.7
230.93503	0.6
234.05301	1.0
234.99809	1.6
236.99548	4.0
238.92259	0.7
238.95699	1.9
242.03609	4.8
248.37891	0.5
248.94479	0.5
256.93158	2.1
256.96814	6.3
262.04706	1.7
263.93652	0.6
264.96927	0.6
265.98840	0.7
272.94461	0.8
274.94202	4.8
274.97723	1.4
275.94727	0.8
276.91843	0.6
277.98132	0.7
278.42633	0.5
279.14624	0.5
279.98254	1.3
280.94025	0.5
280.96887	1.7
285.92618	1.1
287.42764	0.7
292.95123	1.9
298.97742	40.0
299.97516	0.6
316.91861	0.6
316.95065	2.1
321.99237	5.6
322.06662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2425
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
51.34226	1.3
53.03955	2.3
55.01872	1.9
55.05514	44.4
57.03433	1.6
57.07079	6.9
59.05013	2.4
60.55575	1.3
64.38691	1.2
67.05505	25.3
69.03419	6.6
69.07070	42.8
71.01349	6.7
71.04996	16.4
71.53802	1.6
73.06577	1.4
79.05499	16.7
81.07060	76.3
83.04990	5.7
83.08618	13.4
85.06574	6.6
91.05492	15.0
93.07047	54.2
95.04978	12.1
95.08612	58.5
96.08912	1.4
97.06547	15.6
97.10174	58.9
99.08089	2.3
105.07046	27.3
107.04971	2.9
107.08600	54.8
109.06546	10.1
109.10166	45.2
111.08098	3.9
111.11732	3.9
117.07043	4.6
119.08591	26.8
121.06555	8.7
121.10147	42.5
123.08071	9.9
123.08829	1.4
123.11716	43.2
125.09648	11.4
125.13282	10.4
127.11209	2.6
129.07001	1.6
131.08539	7.1
133.10139	18.6
135.08073	8.5
135.11697	50.8
137.06020	2.3
137.09618	3.7
137.13266	3.1
139.11221	4.5
143.08565	3.0
143.10664	12.1
145.10144	11.8
147.04434	6.1
147.08107	3.0
147.11703	18.1
149.09598	3.5
149.13251	26.9
151.07529	12.6
151.11208	3.0
153.12753	6.1
155.10684	2.6
157.10201	3.0
159.11708	15.5
161.09593	2.6
161.13248	12.8
163.11206	6.3
163.14857	11.4
165.12753	3.6
167.10664	3.0
171.11765	2.5
173.13289	5.9
175.11174	1.9
175.14804	6.9
177.12714	7.9
177.16386	2.8
181.12228	3.2
187.14880	5.1
188.13272	1.5
189.11230	1.6
189.12770	5.3
189.16393	1.8
191.14325	1.8
193.12166	1.5
195.13797	12.2
197.13322	1.9
199.14850	3.2
201.16394	3.5
203.14355	2.6
203.17932	1.7
207.13806	9.7
209.15382	1.7
215.18005	1.8
219.17372	1.6
223.18951	1.7
233.15321	2.0
257.22708	7.0
275.23770	15.2
285.22043	5.9
293.24762	6.7
303.23190	100.0
304.23596	2.5
321.17361	1.6
321.20636	7.3
321.24292	18.4
321.26920	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2424
Annotation	(-)-16alpha,17-Dihydroxy-atisan-3-one
Peak:m/z	Relative Intensity
52.25293	2.8
53.03940	6.8
54.20011	2.9
55.05502	7.6
56.78629	3.1
56.96562	8.2
58.81609	3.0
61.02893	3.5
67.05518	16.2
69.03423	4.5
69.07054	8.9
69.23377	27.8
79.05495	31.3
81.07063	100.0
83.04961	5.4
83.08614	5.6
85.02906	3.2
91.05482	13.7
93.07054	21.3
95.08630	21.3
98.97549	3.3
105.07030	21.8
107.08587	16.7
109.06556	2.9
109.10162	19.2
111.08126	3.9
117.06995	5.8
119.08590	20.4
121.06504	3.8
121.10139	12.9
123.11673	4.3
128.76459	2.9
129.89246	3.1
131.08569	15.9
133.10135	14.2
133.11067	3.5
135.11732	7.2
143.08546	5.1
144.26338	3.0
145.10156	19.4
147.11694	6.8
149.13278	5.7
155.08441	3.7
157.10175	9.4
159.11716	10.2
161.13269	6.3
169.10033	5.9
171.11800	7.2
173.11821	4.9
173.13348	3.6
175.14754	7.3
183.11720	4.5
185.13271	4.9
187.14867	5.7
195.13646	3.2
197.06239	3.2
197.13264	5.0
199.06433	4.9
199.14835	7.1
201.16370	6.7
210.61047	3.2
211.14824	7.3
225.16309	4.1
227.17899	3.5
229.07465	24.3
247.08525	12.6
257.22510	5.3
267.20966	5.0
269.10587	19.3
269.17529	7.3
285.22260	8.4
287.11594	5.5
292.12170	4.3
303.23361	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	321.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61370	0.5
53.67383	0.6
55.05515	1.2
57.03435	1.6
67.05511	2.8
68.54930	0.5
69.03446	1.2
69.07071	2.0
70.92835	1.3
71.04970	0.8
79.05495	2.2
81.07065	5.8
83.04987	0.8
83.08627	0.5
85.06544	0.7
86.09709	98.8
90.99165	0.6
91.05479	2.3
93.07043	4.2
95.04986	3.9
95.08608	3.0
97.06520	0.9
103.05495	3.6
105.07030	2.8
107.04955	0.6
107.08575	2.8
109.10149	2.6
111.08067	0.8
118.45962	0.6
119.04977	1.2
119.08598	2.6
120.08111	100.0
121.06523	0.6
121.08443	0.6
121.10141	2.3
123.08098	1.0
123.11741	1.1
125.09558	0.6
127.11188	2.7
128.10722	51.2
131.04936	2.8
131.08591	0.8
133.10176	1.6
135.07994	0.7
135.11664	1.2
137.13187	0.7
145.10170	1.4
147.04424	4.1
147.07967	0.8
147.11685	1.7
149.05960	2.5
149.09625	0.9
149.13246	0.7
156.10213	17.5
157.10150	0.7
159.11795	0.6
161.09631	0.7
163.11263	0.8
165.01932	0.6
166.08646	70.7
181.01340	0.9
183.02922	1.0
203.14375	0.7
277.00351	0.6
285.22156	0.9
303.16565	0.7
303.19559	3.8
303.23242	1.7
321.09686	1.8
321.24167	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	321.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
53.05577	0.7
55.05513	5.0
57.07074	1.1
58.48608	0.6
67.05510	7.5
69.03429	2.4
69.07071	5.1
71.05003	1.9
71.53906	0.7
74.60329	0.7
79.05496	4.4
81.03423	2.5
81.07063	13.7
83.04983	2.1
83.08621	2.4
83.98188	0.6
85.06538	1.1
87.04478	0.8
91.05482	5.2
93.07050	8.9
95.04971	16.8
95.08611	9.5
97.06524	2.0
97.10139	3.3
98.97577	0.8
105.07034	9.4
107.08597	7.7
109.06530	3.2
109.10172	8.7
111.04463	0.8
111.08109	1.3
115.05433	3.3
117.07031	4.8
118.06551	44.9
119.04946	1.5
119.07336	2.8
119.08566	6.2
121.06570	0.9
121.10143	8.2
123.08067	2.1
123.11713	3.4
125.09644	1.4
131.08562	2.4
132.08057	1.0
133.10152	4.3
134.09656	100.0
135.11665	3.5
137.09630	1.0
137.13264	1.3
139.07549	0.7
142.06499	3.1
143.07309	4.5
143.10695	0.9
144.08090	21.1
144.09242	1.0
145.10139	3.1
146.06018	99.0
147.04427	7.7
147.08064	0.8
147.11705	4.2
149.09619	1.1
149.13242	2.3
151.11218	1.8
155.06052	0.7
157.10172	1.1
159.11728	1.9
160.07529	1.0
161.09639	1.9
161.13269	1.4
163.11130	1.3
163.14856	0.9
165.05487	0.8
165.12738	1.2
170.06013	9.0
173.13283	1.6
174.09126	1.4
175.00616	0.8
175.14781	1.3
187.14819	1.6
188.07071	98.0
192.10162	2.0
257.22781	1.0
267.21191	0.8
275.23718	1.7
285.22046	1.7
303.23129	6.6
321.10510	2.6
321.16031	19.8
321.24286	9.8
330.47256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	50.8
57.03419	1.9
58.13808	1.2
59.58968	1.2
60.19896	1.2
61.02909	2.3
65.03920	1.3
69.03425	5.6
69.54192	6.3
70.06590	2.3
73.02905	2.8
74.97630	1.3
79.05508	1.1
81.03411	2.5
81.07070	1.3
83.04971	1.1
83.91859	1.0
84.08153	1.4
84.39701	1.2
84.96043	14.3
85.02901	10.1
87.04494	1.4
91.05485	10.9
95.04980	2.1
97.02906	6.3
97.96760	1.1
98.06033	1.8
98.97588	100.0
100.99170	6.0
102.97015	1.7
109.02852	4.1
110.03183	1.6
110.96857	1.4
110.97572	23.3
112.99091	4.0
115.00681	1.4
116.98627	38.2
117.03360	1.3
119.00187	1.6
119.01832	1.9
119.04940	14.9
121.02860	4.1
123.04374	2.3
124.99114	7.5
126.09172	7.7
126.76919	1.2
126.96999	2.1
127.00683	1.8
127.03912	2.5
128.98607	22.1
131.00148	6.0
131.41251	1.3
134.99681	10.1
139.03864	4.0
140.98553	4.4
141.02194	1.9
141.05464	1.5
142.05745	1.6
143.00168	19.6
143.11784	3.2
144.98068	6.9
145.01743	2.9
145.04930	2.1
146.08310	3.0
146.99672	10.7
147.03249	2.3
147.04414	45.3
148.04773	2.0
152.98584	7.9
155.00185	1.7
158.08105	2.1
158.99673	18.1
159.03230	3.4
159.08430	2.2
161.01216	14.2
162.99112	4.9
163.02676	2.8
163.03868	5.4
165.00681	3.5
165.05438	1.7
170.99678	15.4
171.03105	1.3
172.97583	2.1
173.01219	3.1
173.02754	1.7
174.99181	1.6
177.00719	18.3
177.04289	4.2
180.03468	1.4
182.99525	1.4
185.01048	1.1
189.00742	15.1
189.04121	1.6
190.98599	4.9
191.02226	1.6
195.03302	1.4
197.01027	1.3
201.00620	7.2
201.04338	1.5
205.00114	2.8
207.01746	15.2
208.99704	7.8
210.67194	1.1
213.00703	2.3
215.05504	1.4
217.57428	1.4
219.01776	34.1
219.05119	1.5
221.01108	2.6
223.01147	1.7
225.06937	1.6
230.01547	2.0
231.01688	4.1
232.99620	2.1
234.98975	1.2
235.04878	1.7
237.00504	2.1
237.02824	32.4
239.02222	6.3
240.04654	2.5
241.00186	1.9
249.02737	3.1
251.04393	2.4
257.03418	2.9
258.98550	1.2
259.01251	4.0
261.02838	6.6
261.06320	10.0
267.03766	4.4
269.05371	1.6
277.02563	1.3
279.01590	4.1
279.04361	2.4
279.07510	63.0
281.03247	2.1
297.02893	2.0
297.08478	8.4
299.00568	1.6
302.08990	2.2
303.04120	1.8
303.07413	4.6
321.05490	3.1
321.08508	74.5
337.25500	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	8.8
57.03439	3.2
61.02930	5.4
68.98321	1.5
69.03441	1.7
69.81517	4.5
70.98121	2.7
70.99857	3.4
71.04999	1.5
73.01422	3.4
73.02913	1.6
74.97619	0.8
81.03420	0.8
81.99133	0.8
82.99828	11.2
84.96034	0.8
85.01436	2.0
85.02905	5.6
86.99332	1.7
87.00858	1.0
88.99161	1.6
89.00871	1.3
91.02464	2.2
94.99847	1.5
97.01394	6.2
97.02898	1.9
98.06065	1.4
98.97587	15.7
99.02991	1.1
101.00887	85.6
101.50538	0.9
103.02469	2.6
105.04009	1.1
110.97607	2.1
112.99162	2.8
113.00867	24.7
113.02275	1.0
113.72878	0.8
115.02437	26.1
116.02522	0.9
116.07116	5.3
116.98632	3.9
117.04031	6.0
119.01929	89.3
125.00871	1.4
126.98780	3.3
127.02432	4.4
127.03904	1.1
128.98611	4.3
129.00345	1.8
129.02261	1.1
129.03981	6.8
131.00221	2.9
131.01917	34.1
133.03476	44.3
134.99779	0.9
135.05017	3.7
137.00851	3.1
137.02960	7.4
138.01624	1.2
141.00417	0.9
141.04001	2.5
142.03506	1.0
143.00208	2.0
143.01907	34.5
144.99863	4.5
145.03467	13.3
145.04604	1.3
146.99657	3.0
147.01358	1.9
147.03352	1.0
147.04251	1.4
147.05106	2.8
148.04816	1.3
149.02960	6.6
151.04568	5.4
153.03940	2.0
154.93347	1.1
155.01904	17.4
155.05492	1.0
156.02686	2.3
157.03458	8.9
158.99670	2.7
159.01421	3.0
159.03250	1.1
159.03714	1.3
159.05051	14.1
161.01511	1.4
161.02963	34.4
163.04559	2.9
167.01929	2.0
168.99843	22.5
169.03493	0.9
170.99881	1.8
171.01392	11.7
171.05045	18.3
172.99355	1.6
173.01443	1.6
173.02966	26.3
173.06647	3.8
174.02863	0.9
174.99199	1.3
175.00941	0.9
175.04536	19.6
177.00856	1.7
177.02469	4.2
177.04361	2.4
177.06012	5.2
179.04065	1.0
183.01465	2.9
183.03360	0.9
183.05093	2.3
185.02988	3.6
185.06642	1.8
187.00894	48.0
187.04446	6.2
187.27435	0.8
188.02437	1.7
189.00768	4.6
189.02480	19.3
189.06079	8.0
191.02307	0.7
191.04022	18.0
191.07658	0.9
193.00081	1.0
195.05089	1.4
196.99306	17.3
197.01131	1.0
197.02823	1.7
199.00931	2.7
199.04611	0.9
201.00641	2.0
201.02464	8.6
201.04105	1.2
201.06105	7.0
203.04054	11.1
203.07628	1.3
205.01950	13.0
207.01817	4.4
207.03529	1.1
211.01074	0.9
212.03983	1.0
213.06108	4.0
215.00383	56.2
216.00423	0.8
217.02122	4.0
217.05627	1.9
218.03526	3.6
219.01695	4.3
219.03571	8.0
219.07159	5.7
220.99641	0.8
221.05075	19.2
227.03957	5.2
229.01941	38.9
231.03575	5.6
231.07208	4.1
233.01660	4.4
233.05092	29.9
233.08578	1.4
235.06799	0.8
237.02887	2.2
243.07164	2.8
245.05092	8.0
247.03012	100.0
248.03304	1.4
249.04588	4.3
253.07722	1.9
255.07243	1.4
261.04608	3.5
261.08237	26.5
265.04099	11.8
269.05261	1.0
270.04562	1.9
279.05750	4.9
279.09259	32.7
289.04065	16.9
303.05289	0.8
307.05161	2.3
321.06659	14.7
321.10373	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0607
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
55.05504	0.6
61.68032	0.6
65.03941	4.1
67.01862	1.5
67.05488	1.2
68.99791	4.0
69.03450	1.5
70.06598	1.6
71.53340	0.7
75.84824	0.5
79.01859	0.6
81.03414	1.1
81.07059	0.9
83.04961	0.7
85.02905	0.8
86.06063	0.8
91.05495	1.7
93.03392	2.8
95.04980	1.6
95.08602	0.8
97.02892	1.1
97.06544	0.9
105.03412	0.9
105.07021	0.9
109.02867	3.4
111.00853	1.1
111.04446	10.6
115.05460	0.8
117.07043	1.0
119.04980	1.1
119.08613	0.6
121.02882	11.5
122.06062	1.5
123.04456	1.4
125.02405	1.1
127.03895	3.8
129.07019	0.7
131.04959	0.9
133.02867	1.2
136.07610	1.0
137.02364	0.7
139.03911	46.9
141.09076	1.2
141.84734	0.7
145.06485	3.9
147.04417	5.5
149.02354	63.7
150.03143	7.4
150.05475	1.2
151.03915	3.1
152.07127	1.0
153.01840	100.0
154.02435	0.7
155.04907	1.8
159.04413	0.9
159.10228	0.6
161.06064	0.8
163.03914	3.1
165.01817	1.1
165.05423	0.8
167.03423	12.5
167.38040	0.6
171.01363	0.6
173.06009	5.6
174.08813	0.9
175.03835	0.6
177.01901	1.9
177.05508	0.8
179.03400	1.4
183.04407	3.4
187.03944	0.9
191.03363	2.8
193.04996	0.6
195.01144	1.2
195.02913	20.6
201.05478	8.1
205.05020	1.8
213.05452	0.6
216.10390	0.7
219.02914	6.9
219.06395	0.8
223.09563	0.6
229.04973	18.0
233.04465	0.6
247.06052	31.6
257.04443	7.7
261.03830	1.2
261.12228	0.7
274.04764	1.8
275.05521	59.7
276.06180	0.7
285.04016	1.1
303.04993	18.8
321.05994	16.4
321.09988	1.3
321.15253	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	321.0607
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
53.03942	1.2
55.01861	1.3
56.96557	2.2
65.03935	5.8
67.01874	3.3
67.05500	1.4
68.99783	7.2
69.03429	3.5
69.03814	1.1
69.96626	4.3
70.06606	1.6
70.29273	0.9
71.04966	1.1
72.28159	0.9
81.03428	3.5
81.07077	1.4
81.61575	1.1
85.02892	2.9
85.71388	1.0
87.04449	1.5
91.05496	2.9
93.03397	2.4
95.08633	1.3
97.02909	2.3
97.06548	1.1
98.97580	2.6
109.02879	3.1
111.00816	7.4
111.02574	1.2
111.04461	10.7
115.03914	1.7
119.04970	6.0
119.05677	1.0
121.02874	12.1
123.04404	2.5
125.02381	1.7
127.03920	7.8
131.04993	1.2
133.02829	1.7
135.03340	1.2
137.02386	1.0
139.03914	48.4
140.33980	1.0
141.09074	1.2
145.06509	2.5
147.04430	15.1
149.02351	57.5
150.03105	7.6
151.03896	4.4
153.01840	100.0
155.04924	2.4
163.01889	2.9
163.03912	8.0
166.08661	2.5
167.03406	12.9
171.02898	4.0
173.05937	4.9
175.03966	1.3
177.03304	1.2
183.04411	4.6
185.06033	1.3
187.04070	1.5
191.03447	4.4
193.04958	1.5
195.02910	21.6
201.05521	9.2
205.05067	1.3
219.02924	19.9
229.04982	18.5
233.04546	1.8
239.11908	1.3
247.06026	28.6
257.04532	8.3
261.03952	2.6
267.11282	1.5
274.04794	1.6
275.05515	64.8
285.04019	1.6
285.12488	2.5
286.33398	1.1
300.89435	1.0
303.04987	26.2
321.06067	14.3
321.10022	2.8
321.14316	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.222
Annotation	Ankorine
Peak:m/z	Relative Intensity
55.05495	3.0
57.03425	3.4
57.07080	1.1
66.19318	0.7
67.05485	1.6
69.07066	11.1
73.06552	1.5
79.05492	1.0
81.07062	3.8
82.06569	2.2
91.05455	1.5
93.07032	1.9
94.06560	6.2
95.08601	1.4
97.10146	1.2
98.21596	1.8
105.07043	1.0
106.06575	1.1
107.07355	1.0
107.08636	1.3
108.08163	1.0
117.06992	1.0
118.06537	1.9
119.08580	2.8
120.08099	3.5
121.10158	1.0
122.09621	3.9
123.11691	3.3
130.06612	0.9
131.07272	1.2
132.08102	4.0
133.08849	0.8
134.09648	25.6
135.10434	1.3
136.11229	4.7
138.09125	1.9
142.07790	0.8
144.08151	0.9
145.08842	1.5
146.09663	6.8
147.10417	0.8
148.07576	0.7
148.11223	5.5
150.09149	5.9
159.10423	1.3
160.11244	2.5
162.09148	1.9
162.12769	3.5
174.12811	9.9
176.10689	1.6
188.14320	5.3
190.12277	1.8
190.15971	3.0
191.13142	3.8
191.14630	0.8
192.13820	4.0
202.15950	1.8
203.16737	1.0
204.13852	5.5
204.17453	4.9
206.15343	4.5
218.15404	6.4
222.11346	1.6
225.16382	0.8
242.19057	1.4
250.17996	3.1
260.20105	51.3
264.19623	2.5
266.17554	1.1
278.17493	5.6
320.22198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01872	2.3
55.05506	1.4
56.72277	1.0
56.96572	8.3
57.03437	2.4
61.02920	3.8
69.03436	5.3
69.07055	1.6
69.92584	4.5
70.06594	13.8
72.08168	1.3
73.02919	2.1
79.05477	1.5
81.03398	4.4
84.04498	3.5
84.96033	2.7
85.02906	19.1
91.03970	1.3
91.05487	1.7
93.07034	1.2
93.60014	1.1
94.06589	6.7
95.61084	1.1
96.04510	8.3
96.08104	3.8
97.02886	6.1
97.33807	1.0
98.03178	1.0
98.06071	8.9
98.97588	14.0
100.35216	1.0
102.05536	2.8
102.67277	1.0
103.26133	1.1
104.09407	1.0
109.02885	22.8
110.97577	3.3
112.07610	10.3
114.05540	20.0
116.07095	2.5
116.98620	4.5
119.04955	1.5
122.06062	2.5
127.03924	2.9
128.98586	2.9
138.09119	3.4
140.07079	51.9
141.05469	24.8
143.00162	2.0
144.00613	1.1
145.04993	4.2
147.04420	5.8
153.01753	1.2
158.08141	100.0
158.99687	3.1
163.03900	2.8
177.00734	1.4
191.05794	1.2
219.01830	3.5
237.02805	3.0
240.12337	2.0
257.04889	1.7
258.13388	3.8
276.14401	2.0
279.04123	1.7
279.07504	4.3
287.06094	2.0
295.59686	1.5
302.12326	3.1
307.04620	1.1
320.07083	1.6
320.13470	2.1
321.08777	5.0
344.66965	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93069	0.6
54.24098	0.6
56.96572	2.8
60.04539	0.7
67.05500	1.0
69.03436	1.6
69.07069	0.9
69.91608	3.1
70.06596	87.8
70.31804	0.6
79.00192	0.6
79.05507	0.9
81.03445	0.8
81.07043	0.7
85.02905	2.4
95.04976	0.6
97.02887	1.1
98.20825	1.0
98.97616	1.5
104.11950	0.6
109.02875	0.8
112.07612	74.8
116.07104	20.0
116.98604	0.7
125.38377	0.6
135.04359	0.8
139.03911	2.8
140.07083	9.2
141.05527	1.1
143.00226	1.1
145.02904	0.7
147.04445	3.6
149.02301	0.9
153.01871	1.3
158.08133	100.0
163.03935	1.2
163.66077	0.6
189.00667	0.8
256.16769	0.7
320.13782	2.7
321.05719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2269
Annotation	11R-HEPE
Peak:m/z	Relative Intensity
53.03942	2.4
55.01872	2.5
55.05519	8.9
57.07061	3.7
59.61478	1.1
67.05510	15.4
69.03425	1.8
69.07075	7.9
69.28813	9.9
70.15545	1.1
71.04993	2.3
79.05491	14.9
81.03401	2.0
81.07056	27.7
83.04986	4.2
83.08620	5.1
85.06515	2.7
91.05489	15.5
93.07047	26.5
95.04976	7.5
95.08615	24.0
97.06526	5.0
97.10162	1.2
99.08089	2.5
103.05508	1.7
105.07037	29.3
107.04954	3.5
107.08604	24.4
109.02838	1.4
109.06533	8.1
109.10156	20.1
111.08101	2.6
117.07021	5.2
119.07803	1.8
119.08587	20.1
121.06511	20.0
121.10149	15.3
123.08071	21.7
123.11723	12.9
128.06177	1.8
129.07004	3.9
130.07829	1.2
131.08575	12.1
133.06470	2.2
133.10139	14.5
135.08070	14.0
135.11705	8.5
137.09673	6.6
137.13271	4.4
137.46782	1.3
139.04448	1.2
141.06993	1.8
142.07730	2.8
143.08568	11.1
144.09312	2.1
145.06519	1.3
145.10135	12.7
147.08052	8.6
147.11690	14.8
149.09627	9.3
149.13290	7.7
151.11176	4.1
153.09103	2.1
155.08559	3.8
156.09335	1.8
157.10136	11.1
159.08086	4.0
159.11691	11.7
161.09613	6.9
161.13264	6.1
163.11194	3.5
165.09109	8.9
165.12750	8.3
167.08514	1.7
169.10115	5.2
170.10831	1.6
171.08061	1.7
171.11688	8.1
173.09607	3.7
173.13304	6.6
175.11281	6.4
175.14838	1.5
177.12657	2.3
179.10715	1.3
180.09331	1.7
181.10109	2.7
183.11731	4.0
184.12331	1.5
185.13281	9.9
187.11198	4.6
187.14783	6.5
189.12804	3.1
193.12294	2.0
195.11768	1.4
197.13235	2.7
199.11285	2.2
199.14815	8.4
201.12762	2.7
201.16388	5.1
203.14320	3.9
209.13283	4.1
211.14796	2.4
213.12770	2.4
213.16409	4.3
215.14346	3.7
215.17998	1.5
217.15836	1.3
223.14825	2.1
225.16393	4.9
227.14296	4.8
231.17395	2.3
239.18050	1.8
241.15837	2.2
241.19565	7.3
243.17461	6.9
245.15359	2.6
253.19493	2.6
255.21127	6.2
257.18979	1.6
261.18442	7.8
265.19589	3.5
271.20648	15.2
273.22144	3.0
277.27884	1.3
283.20587	17.5
289.21643	4.2
301.21637	29.0
319.04337	1.5
319.22681	100.0
319.29996	2.4
324.99460	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2269
Annotation	(+/-)-12-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid
Peak:m/z	Relative Intensity
51.36109	0.6
53.03933	1.8
55.01861	1.6
55.05304	0.7
55.05513	7.2
57.03418	1.5
57.07075	3.7
58.05521	0.8
65.03939	0.8
67.05511	12.8
69.03420	2.8
69.07070	7.7
69.99387	3.1
71.05000	1.7
71.41718	0.8
79.05489	10.1
81.06588	1.5
81.07062	26.5
83.04992	3.5
83.08626	3.1
85.06533	1.1
87.61724	0.7
91.05486	10.8
93.07047	20.7
95.04980	3.8
95.08614	23.4
97.06526	4.3
97.10174	2.1
99.04459	0.7
99.08098	3.4
105.06327	0.9
105.07040	18.8
107.04963	2.6
107.08600	20.8
109.06525	10.1
109.10162	15.4
111.08083	3.1
114.81190	0.6
115.05477	1.0
117.07012	4.5
119.04824	0.9
119.05960	0.7
119.08588	18.7
121.06514	18.8
121.10146	14.5
123.08070	18.1
123.11707	9.6
125.09612	1.7
127.07549	1.1
128.06181	1.1
129.07016	4.0
131.08578	11.4
133.06496	1.7
133.07425	0.8
133.10146	12.0
135.07097	1.4
135.08055	11.0
135.11685	7.0
137.09659	6.3
137.13269	3.8
139.07570	1.3
141.07022	1.5
141.09126	1.7
142.07820	1.9
143.08569	9.9
145.06483	1.1
145.10139	12.2
147.08049	8.1
147.11705	13.0
149.09634	8.2
149.13292	6.4
151.07533	1.1
151.11215	3.9
153.09099	2.9
155.08559	1.8
156.09323	1.1
157.10130	10.8
158.10818	0.8
159.08057	2.8
159.11702	9.0
161.09648	6.0
161.13281	4.8
163.11214	3.5
165.09125	10.5
165.12793	6.8
167.08620	1.5
168.09279	1.1
169.10143	4.7
170.10910	1.7
171.08055	0.9
171.11702	7.5
173.09627	2.6
173.13318	5.1
175.11198	7.7
175.14824	1.0
177.09077	1.0
177.12790	1.9
179.10716	1.0
180.09399	0.9
181.10133	1.7
183.11702	3.9
185.09637	2.0
185.13257	7.6
187.11168	3.5
187.14815	5.3
189.12796	2.4
189.16458	1.7
193.12241	1.6
195.11729	1.3
197.13173	3.6
199.11206	1.7
199.14850	6.7
201.12723	2.9
201.16383	3.5
203.14268	3.6
203.17940	1.0
205.12267	1.4
205.15973	1.0
209.13271	2.6
211.14839	1.7
213.12767	1.7
213.16403	3.0
215.14328	2.2
215.17946	1.7
217.12334	1.1
217.15860	2.7
223.15034	1.0
225.16402	2.8
227.14409	5.0
231.17352	1.0
239.17903	2.1
241.15924	1.5
241.19522	5.9
243.17499	5.1
245.15459	2.4
253.19510	2.5
255.17409	1.4
255.21088	6.5
257.18964	1.6
259.20602	1.7
261.18515	5.9
265.19580	4.2
271.20602	13.2
273.22110	1.8
283.20584	16.6
283.23593	1.5
289.21802	3.4
301.21628	23.3
319.22705	100.0
320.23053	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2267
Annotation	12S-HEPE
Peak:m/z	Relative Intensity
51.90291	3.4
53.03942	5.9
55.01887	2.9
55.05502	10.9
57.07076	4.8
58.75249	2.8
67.05505	13.0
68.91281	2.9
69.07061	9.4
70.68639	4.4
70.68967	7.0
71.04983	3.0
79.05493	37.5
81.07061	100.0
83.08658	3.3
91.05477	24.9
93.07056	31.2
94.45693	3.0
95.08608	29.9
97.06521	6.6
105.07043	36.4
107.08598	32.7
109.06526	6.6
109.10170	10.4
113.06017	3.0
117.07011	7.3
119.08596	34.1
121.06511	15.2
121.10162	11.2
123.08083	10.4
123.11706	4.9
125.09665	4.2
128.06235	6.3
129.07031	7.4
131.08569	18.1
133.06488	3.4
133.10129	11.0
135.08087	8.7
135.11676	7.6
137.09627	6.1
142.07785	5.5
143.08575	14.8
144.09305	3.2
145.10172	17.5
147.08070	4.8
147.11684	11.1
149.13286	12.7
155.08524	3.4
156.09387	4.1
157.10146	13.8
159.11729	13.5
161.13271	3.6
161.16588	3.2
169.10112	7.3
171.11707	12.6
173.09619	5.7
173.13301	8.7
181.10075	4.4
183.11725	6.9
185.13286	10.0
187.14938	4.9
189.16466	3.9
197.13370	6.2
199.14812	9.6
209.13428	4.6
213.16325	3.1
225.16422	3.2
241.19577	3.4
245.15399	5.9
250.31944	3.8
253.19463	4.8
255.21198	7.7
265.19489	6.2
271.20734	3.6
283.20544	11.3
301.21698	11.8
319.22632	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2268
Annotation	12S-HEPE
Peak:m/z	Relative Intensity
52.74853	0.5
53.03936	1.2
55.01859	1.6
55.05509	5.7
57.03424	0.6
57.07067	2.5
57.14137	0.6
65.03933	0.9
67.05505	12.6
69.03423	2.9
69.07066	6.0
70.06585	0.8
70.36383	1.7
70.36713	0.6
71.04997	1.7
71.08624	0.6
74.74226	0.5
79.05495	9.1
81.03405	0.8
81.07060	27.8
83.04964	2.7
83.08617	2.6
85.06548	0.8
88.07640	1.1
91.05483	11.6
93.07045	21.1
95.04991	4.1
95.08610	21.0
97.06522	3.6
97.10155	1.2
98.97585	1.5
99.04436	1.1
99.08086	1.8
102.09220	0.7
105.07033	19.2
107.04959	3.7
107.08604	22.2
109.06516	8.5
109.09477	0.9
109.10167	13.3
111.08107	1.9
116.98617	1.3
117.07018	4.5
119.08588	19.2
121.06505	21.9
121.09336	0.9
121.10146	11.6
123.07198	1.3
123.08066	19.6
123.11716	9.5
125.09653	1.2
127.60994	0.6
129.07008	3.1
131.08571	9.7
133.06494	1.8
133.10121	10.6
135.08058	11.6
135.11717	5.6
136.50664	0.6
137.09616	5.8
137.13303	3.3
137.42587	0.7
141.07013	1.3
142.07791	1.7
143.08571	8.0
145.06497	1.2
145.10127	12.5
147.08052	7.9
147.11687	14.3
149.09605	5.2
149.13275	5.7
151.07550	1.5
151.11168	2.6
153.09146	3.0
155.08534	2.1
156.09357	2.1
157.10126	9.7
158.07274	0.9
159.08041	2.7
159.11696	9.4
161.09644	4.9
161.13258	4.0
163.11179	3.9
163.14787	1.8
165.07065	0.9
165.09116	12.1
165.12813	4.4
169.10118	3.4
170.10905	1.0
171.08072	1.0
171.11694	6.2
173.09637	2.4
173.13297	5.1
175.11198	5.8
175.14804	1.2
177.12752	2.0
179.08556	0.6
179.10626	0.6
180.09221	0.6
181.08511	0.8
181.10042	1.2
183.10236	0.7
183.11700	3.2
185.09642	0.8
185.13266	7.9
187.11198	3.7
187.14819	5.3
189.12810	3.2
193.12396	0.7
195.11644	1.1
197.13263	3.1
199.11165	1.3
199.14842	7.2
201.12785	2.6
201.16347	3.7
203.14317	2.3
205.15862	0.8
209.13268	1.8
211.14885	1.4
213.12782	1.8
213.16376	3.2
215.14357	1.7
215.17987	1.4
217.15935	1.5
217.31113	0.7
223.14828	1.7
225.16403	2.8
227.14357	3.1
227.17931	0.8
229.15891	0.8
231.13858	0.7
231.17514	1.0
239.17911	1.5
241.15892	1.9
241.19527	5.6
243.17441	5.0
245.15314	1.9
253.19519	2.7
255.17542	0.9
255.18484	0.9
255.21094	6.1
257.26590	3.1
259.16840	0.7
259.20737	1.6
261.18536	3.8
263.16254	0.8
265.19437	3.8
271.20563	11.4
273.22162	1.8
283.20578	15.3
283.23544	1.1
289.21646	4.3
301.21613	26.8
304.20401	0.8
319.22684	100.0
319.30392	7.7
320.23105	1.1
322.06033	0.7
338.44431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1907
Annotation	6beta-Isobutyryloxysenberginone
Peak:m/z	Relative Intensity
53.03942	4.4
55.05280	2.8
55.05519	41.4
57.07082	32.9
67.05493	4.5
69.07069	27.2
71.08626	2.7
71.53290	2.0
75.49568	1.7
79.05496	11.6
81.06596	2.2
81.07064	41.8
83.04976	2.0
83.08624	100.0
89.03902	2.9
91.05460	6.2
93.07043	10.2
95.08623	10.2
97.10169	9.2
105.07059	11.5
107.04939	2.0
107.08605	8.2
109.06505	4.2
109.10135	7.6
113.09689	2.0
117.03358	6.1
117.07043	2.6
119.08611	9.9
121.06513	4.9
121.10132	5.6
123.08072	5.1
123.11692	2.7
131.08546	5.8
133.10126	6.4
135.04425	12.5
135.11617	3.0
137.09645	3.1
143.08536	4.4
145.02864	11.9
145.10170	8.3
147.11690	4.6
149.13348	3.9
155.08644	2.0
157.10127	7.5
159.11736	5.2
161.13168	2.0
163.03917	95.4
167.08524	1.9
169.10120	2.0
171.11714	2.9
175.14882	1.9
177.12791	1.8
181.04970	32.1
185.13257	3.0
187.14868	2.9
189.09001	1.9
197.13213	2.6
199.14839	4.6
201.16438	2.6
203.14369	1.8
245.19167	4.1
253.19431	2.4
255.20992	2.9
271.20755	3.3
283.20615	4.6
294.35733	1.9
301.21606	4.2
319.19150	3.3
319.22687	10.8
319.26068	1.8
319.30365	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	319.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.05505	1.2
57.03425	0.5
65.03935	2.2
67.05492	1.6
67.52502	0.6
68.99781	0.8
69.03423	1.2
69.04155	0.5
69.07066	2.1
69.49223	2.2
69.49641	1.0
71.05009	0.6
75.30814	0.5
79.05491	1.4
80.04999	1.5
81.03421	1.0
81.07063	2.5
85.02914	1.2
91.05468	1.6
92.05019	4.7
93.07046	2.3
95.04997	0.8
95.08596	1.8
96.08109	1.0
97.06520	0.7
98.21590	0.6
99.04388	0.5
105.07038	2.2
106.06544	0.5
107.04964	0.7
107.08571	1.4
108.04446	1.4
109.02898	1.3
109.10165	1.3
110.06066	1.2
110.09716	0.7
111.11706	1.0
117.07048	0.7
117.34138	0.5
119.08578	1.9
119.75368	0.5
120.04449	0.9
121.06482	0.8
121.10202	0.6
123.08041	1.2
123.11718	1.6
124.07592	1.8
127.03910	1.2
129.06938	0.8
130.06447	0.6
131.08566	1.7
133.10091	1.0
135.08052	1.0
136.03957	6.1
138.05475	0.7
138.09163	19.7
139.11186	1.0
143.08546	1.1
144.08131	1.0
145.10162	0.8
147.11685	0.7
149.06017	0.8
149.09621	1.1
150.05568	0.7
150.09062	0.7
151.03874	0.6
151.11150	0.7
153.01845	3.4
153.05457	1.1
154.04991	2.0
154.06383	0.5
155.08563	1.6
156.08060	0.9
157.10181	1.2
157.12238	0.8
158.09665	0.7
159.09190	0.8
159.11732	1.4
161.09676	0.5
164.03438	5.0
165.01796	0.8
165.09094	1.0
167.07289	1.2
168.08134	0.8
169.08884	0.8
170.09737	0.7
171.11674	0.6
173.09525	0.6
174.12791	1.2
176.03441	1.6
177.05489	1.1
178.05034	0.6
182.04518	14.4
182.09633	1.4
184.07654	0.5
184.11247	1.4
185.07100	0.7
186.09105	0.7
188.43907	0.6
196.10002	1.0
198.07828	1.1
199.08675	1.6
199.12321	0.6
200.09322	1.1
201.13887	6.3
202.12254	0.8
209.07101	0.5
210.09154	2.0
211.08572	0.6
211.12437	0.8
212.09160	1.0
212.10768	2.5
213.10281	0.8
214.12338	1.5
217.04997	0.8
220.94296	0.5
221.79944	0.5
227.08238	1.3
227.11829	3.0
228.08728	2.4
229.09729	1.1
229.13387	36.8
230.11778	1.3
238.08643	1.5
239.11806	1.2
240.08620	0.8
240.10606	0.7
241.09860	0.7
243.28461	0.5
245.04430	1.1
255.07487	0.8
255.08447	0.6
255.11304	7.8
257.12881	21.9
258.11301	1.2
261.18390	0.7
268.08398	0.9
272.08063	1.3
273.03952	1.3
273.12344	7.4
276.05301	1.5
283.10831	9.3
283.20490	1.4
284.09152	13.1
290.09030	0.7
291.13419	1.4
301.11859	22.8
301.21616	1.8
304.04834	2.6
319.04266	11.0
319.07190	4.8
319.12918	100.0
319.22678	3.4
320.13254	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08812	4.7
56.96574	35.3
57.03438	5.1
61.02929	27.4
67.79755	5.0
67.85388	4.5
69.03432	8.6
69.31004	33.1
81.03408	19.2
84.95990	7.7
85.02892	14.5
86.16926	5.5
97.02905	5.1
98.20663	6.1
98.97553	22.0
100.07580	5.7
100.99137	11.5
101.00890	23.2
103.02415	6.2
109.02873	23.6
110.03266	7.8
110.97578	8.8
113.00872	10.0
115.02428	11.5
116.98627	8.0
117.04010	7.3
119.01912	28.2
124.99111	14.2
127.02428	26.8
127.03930	7.6
128.02303	10.2
128.98599	14.6
131.00162	5.4
131.01918	10.3
133.03455	11.8
137.02890	5.5
143.00156	18.0
143.01913	11.9
145.03481	63.4
147.03273	7.0
158.03525	7.3
159.05072	6.7
161.01357	5.2
161.02994	14.7
163.02698	8.3
163.61115	5.0
172.99318	6.9
175.04469	5.1
177.06090	5.1
185.06596	15.7
187.04475	6.1
190.98706	7.2
195.05101	31.4
199.00908	16.6
201.06015	11.2
203.04153	7.3
205.07332	9.7
207.03500	5.4
208.99637	5.7
211.01018	5.7
213.03487	36.3
213.06079	44.4
214.54823	4.7
217.02072	8.2
222.03885	15.6
229.01945	8.0
231.03505	6.2
235.02795	9.1
239.04025	8.0
245.01479	13.4
251.04492	7.5
257.05209	39.6
259.03067	8.8
269.05344	13.6
277.04169	9.6
277.09494	6.7
278.07892	22.5
287.02402	13.7
295.08685	5.7
296.09048	38.9
305.02045	4.7
319.05121	8.2
319.07922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0449
Annotation	Myricetin
Peak:m/z	Relative Intensity
53.03948	0.4
54.86490	0.3
55.01867	1.2
55.05502	0.9
57.03436	0.7
58.73120	0.3
65.03924	0.6
67.05493	1.3
68.64310	0.3
68.99788	3.1
69.03432	1.6
69.07056	1.5
70.06570	0.3
71.01319	0.4
71.04993	0.8
76.91750	0.3
77.68368	0.3
79.05478	0.9
81.03411	1.3
81.07048	1.9
84.04465	0.6
84.08131	0.4
85.02898	2.0
85.06538	0.9
91.05456	0.7
93.03418	0.4
93.07032	1.1
95.04962	0.8
95.08598	0.8
97.02886	1.4
97.06516	0.7
99.04459	0.4
99.08080	0.5
105.03456	0.4
105.07024	1.0
107.04974	0.5
107.08610	0.5
109.02888	2.4
109.10146	0.6
111.00802	4.2
111.04465	0.7
111.11703	0.4
115.39079	0.3
119.04967	0.4
119.08601	0.7
121.02843	1.2
121.06515	0.9
121.10135	0.9
123.04411	0.5
123.08057	0.4
123.11723	0.4
124.07633	0.4
125.02338	0.5
126.03121	0.5
127.03909	1.5
131.08545	0.4
132.08067	0.4
133.02818	0.5
133.06488	0.5
133.10135	0.6
135.74469	0.4
137.02339	5.1
137.05965	1.1
138.09186	0.3
139.03929	0.9
139.11188	2.6
139.27040	0.3
145.10123	0.4
146.05984	0.5
147.04440	0.8
147.11742	0.4
149.02316	0.7
149.05975	4.3
151.03908	5.7
151.04974	0.3
153.01833	19.4
153.06987	0.4
157.12250	1.8
158.09598	0.6
159.04384	0.5
161.02338	0.7
161.05975	0.9
163.03886	0.7
165.01843	4.7
166.02652	0.4
166.04930	0.7
169.01352	1.8
171.04402	0.6
176.10733	3.0
177.04063	0.6
177.05490	7.6
179.03418	2.8
181.01309	0.6
181.06470	0.6
183.02934	1.8
189.05518	1.7
194.04547	0.5
195.02859	1.5
196.56059	0.4
199.03923	1.3
199.81253	0.3
201.05537	0.4
203.03381	1.0
204.04172	0.4
207.02875	0.9
213.09102	0.4
217.04985	6.9
219.03073	0.4
221.04387	0.5
226.10909	0.4
227.03406	0.9
227.11848	0.5
229.05025	0.8
231.02907	0.8
232.03600	0.4
235.02333	0.5
235.06007	0.8
241.08401	0.4
244.03656	0.4
245.04483	8.8
255.02921	1.0
255.11249	0.7
263.05630	1.4
270.10034	0.7
271.10660	0.5
272.03012	0.4
272.11575	0.7
273.03949	7.4
273.06976	0.4
273.11945	1.5
275.13873	0.5
283.02441	0.6
283.10800	1.1
290.04279	1.9
291.05121	0.5
301.03503	1.8
301.06635	0.4
301.11850	4.0
301.21515	0.4
319.04486	100.0
319.16751	2.6
320.04785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.045
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01870	0.5
55.05507	0.3
57.03430	0.5
65.03932	0.6
67.01862	0.3
67.05505	0.4
68.99444	0.3
68.99794	2.8
69.03419	0.7
69.07061	0.6
70.06593	0.3
71.04971	0.6
71.26187	0.2
71.54320	0.2
79.01842	0.3
79.05483	0.5
81.03411	0.6
81.07039	0.6
83.04960	0.3
83.97816	0.2
84.04492	0.3
85.02917	1.1
85.06540	0.5
86.09694	0.3
88.04028	0.2
91.05482	0.6
93.03422	0.2
93.07086	0.3
95.04982	0.3
95.08626	0.4
97.02894	0.7
97.06547	0.3
102.81405	0.2
103.05417	0.3
105.07027	0.3
107.04949	0.4
107.08613	0.2
108.02113	0.3
109.02882	2.3
110.76879	0.2
111.00056	0.3
111.00810	4.2
111.04441	0.6
111.11725	0.2
115.05466	0.3
116.07096	0.3
119.04939	0.2
121.02887	1.1
121.06541	0.9
121.10150	0.4
122.03629	0.2
122.06865	0.5
123.04506	0.3
123.08099	0.2
125.02375	0.4
126.03156	0.3
127.03921	0.6
131.04869	0.2
133.02864	0.5
133.06519	0.4
133.10075	0.2
137.02348	4.1
137.05986	0.6
138.09106	0.2
139.03896	0.8
139.11176	1.2
143.03432	0.2
145.05016	0.2
147.04413	0.6
149.02368	0.2
149.05975	3.7
151.03914	5.0
151.05011	0.5
151.07463	0.2
153.01839	20.3
153.05431	0.5
155.04985	0.2
157.12260	0.8
158.09637	0.2
161.02339	0.5
161.06003	0.7
163.03899	0.2
165.01849	6.0
165.05548	0.2
166.02614	0.7
166.05112	0.3
169.01294	0.3
171.04413	0.7
175.03922	0.5
176.10735	0.6
177.05487	6.5
179.03439	2.2
181.06458	0.6
183.02895	1.9
187.04004	0.3
188.07237	0.2
189.05472	1.6
193.01334	0.5
193.04907	0.3
195.02943	1.3
199.04010	0.9
203.03365	1.0
207.02879	0.7
207.83818	0.2
209.06070	0.2
212.44911	0.2
213.09135	0.3
216.04189	0.2
217.04973	6.8
217.32303	0.2
219.02908	0.6
221.04417	0.4
227.03429	0.8
227.11880	0.2
229.05046	0.6
231.02852	0.5
231.07607	0.2
233.04391	0.2
235.02327	0.3
235.06001	0.6
239.01880	0.3
241.08578	0.4
244.03781	0.5
245.04480	8.7
255.03004	1.2
257.04703	0.2
263.05466	1.2
270.09988	0.2
272.03268	0.3
272.11493	0.6
273.03961	7.9
273.11218	1.0
283.02267	0.2
283.10611	0.3
289.10495	0.2
290.04211	1.9
291.04904	0.3
301.03482	1.8
301.11768	1.8
319.04495	100.0
320.04938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0448
Annotation	IRIGENOL
Peak:m/z	Relative Intensity
55.01878	0.4
60.54108	0.1
62.76101	0.1
65.03937	0.4
67.01864	0.4
68.99440	0.3
68.99792	3.3
69.03420	0.2
69.43498	1.0
79.01885	0.1
81.03414	0.6
93.03400	0.4
93.53905	0.1
97.02888	0.4
98.21487	0.3
103.05508	0.1
105.03330	0.2
105.07033	0.3
109.02874	1.9
111.00806	4.2
111.04431	0.5
121.02843	0.4
121.06497	0.4
123.04453	0.2
124.07584	0.3
125.02362	0.6
126.03148	0.2
127.03937	0.8
133.02832	0.4
133.06526	0.2
137.02335	4.0
139.03894	0.7
143.03433	0.3
143.04868	0.2
147.04408	0.5
149.02370	0.3
149.05959	0.2
151.03906	0.2
152.07114	0.1
153.01831	19.9
153.05440	0.4
160.70905	0.1
161.02327	0.3
161.05995	0.7
163.03912	0.3
165.01840	5.7
166.02641	0.7
166.04999	0.5
171.04381	0.7
173.05981	0.2
175.03912	0.4
177.05472	0.5
179.03389	2.3
183.02913	1.4
183.04393	0.2
189.01762	0.2
189.05498	2.0
191.03375	0.2
193.01341	0.5
193.05011	0.2
194.02161	0.3
195.02855	1.2
199.03957	0.7
203.03421	1.2
205.04999	0.3
207.02895	0.7
208.03699	0.2
209.04396	0.2
216.04219	0.3
217.04970	6.9
219.02879	0.5
221.04544	0.5
227.03459	0.9
229.04967	0.5
231.02893	0.5
232.03651	0.2
235.02379	0.5
235.06073	0.5
244.03651	0.6
245.04469	8.3
249.04041	0.2
255.02951	1.2
263.05542	1.1
272.03033	0.3
273.03937	7.6
283.10815	0.5
290.04214	1.9
291.04907	0.3
301.03445	1.5
301.11591	0.4
319.04486	100.0
320.04739	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
55.01883	0.4
55.05518	0.7
57.03439	1.4
61.02925	1.8
69.03442	3.8
69.07067	0.9
70.00846	1.2
70.06578	0.5
71.05011	0.6
73.02925	0.9
79.05485	0.6
81.03425	1.6
81.07092	0.5
82.06590	1.0
83.04972	0.4
84.04498	1.2
85.02917	8.4
86.09695	0.5
87.04456	1.2
88.04803	0.5
91.05485	1.1
93.07065	1.8
95.08594	1.8
96.04497	2.6
96.08140	1.2
97.02909	3.1
97.05295	2.2
97.06525	1.2
100.07643	0.4
103.03955	0.6
103.05480	0.8
105.07080	0.4
108.08108	0.7
109.02880	1.0
109.06546	0.5
109.10182	0.5
110.06056	4.1
110.09703	2.8
111.08100	0.8
115.03917	0.7
120.08139	0.8
121.06521	5.7
125.08379	0.9
126.05493	0.9
126.09171	8.5
127.03929	1.4
138.05548	0.6
138.09149	19.1
139.07568	1.5
145.05006	1.3
156.10213	100.0
157.10512	0.4
168.10257	0.9
171.55849	0.5
176.23203	0.3
176.80171	0.3
180.10219	0.5
197.74757	0.4
198.11296	0.9
222.11252	0.7
255.11241	0.5
301.11856	0.9
316.13559	0.4
318.06931	0.7
318.12057	0.7
318.15390	3.6
319.04465	0.4
323.30667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03955	3.3
55.05514	19.0
57.07069	10.7
60.04520	37.7
61.04866	4.6
64.08912	3.2
67.05507	26.2
69.07063	11.1
70.06572	3.4
70.84635	3.6
79.05495	18.8
81.07054	46.0
83.08624	8.0
85.02909	4.3
85.61698	3.1
91.04982	3.6
91.05463	18.0
93.07047	33.1
94.43469	3.1
94.88763	3.4
95.04973	28.1
95.08611	37.9
97.06541	29.4
99.04443	14.8
105.07041	26.6
106.08662	4.2
107.08574	25.8
109.06519	16.4
109.10146	33.9
115.87827	3.2
117.06996	8.4
119.08577	40.3
121.06520	13.6
121.10174	21.3
123.04416	4.5
123.08073	13.3
123.11700	7.3
131.08585	16.1
133.06502	3.8
133.10159	17.3
135.08038	10.1
135.11697	14.7
137.09598	15.9
137.13246	20.9
142.07678	4.4
143.08559	22.2
145.06497	4.1
145.10129	22.4
147.08078	17.7
147.11678	11.0
149.05962	3.3
149.09676	7.3
149.13222	6.1
151.07629	3.5
155.08557	8.7
157.10164	17.3
159.08086	6.7
159.11711	13.6
161.09604	12.4
161.13277	11.6
163.11244	10.9
165.09113	5.8
167.07076	9.6
168.09312	3.5
169.10159	10.4
171.11714	11.9
173.09680	5.5
173.13184	8.6
175.14850	5.0
177.12700	3.5
181.08589	10.0
183.11708	7.5
185.09671	8.0
185.13219	8.6
187.11143	3.7
187.14764	7.4
189.12741	4.6
189.16370	3.9
197.13234	17.0
199.14824	8.8
201.12749	8.0
203.14354	9.3
213.12651	4.2
225.12743	4.2
229.34483	3.5
231.17421	5.2
233.11723	4.0
239.17949	4.3
241.15826	8.2
243.13811	12.0
253.19490	12.3
257.19046	8.1
259.17093	6.2
261.14838	6.2
266.05157	3.8
269.19083	5.8
271.20609	8.1
281.18933	7.9
281.26620	6.1
299.20041	64.6
299.27725	4.3
302.04276	4.2
317.06573	10.8
317.17178	12.2
317.21075	100.0
317.24451	3.9
317.25040	6.8
317.28781	30.8
317.32333	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	317.2112
Annotation	15-deoxy-PGA2
Peak:m/z	Relative Intensity
53.03932	3.1
55.01864	2.1
55.05514	9.7
57.07063	2.0
61.38166	1.4
65.03924	1.6
67.05514	12.5
69.03432	3.0
69.07072	7.8
70.12025	2.5
70.12419	3.4
71.04971	2.4
79.05493	17.2
81.03407	5.1
81.07063	57.6
83.04962	3.9
83.08622	3.0
91.05488	16.1
93.06487	1.9
93.07047	30.8
95.04988	6.6
95.08604	22.9
97.06534	4.1
97.10185	1.7
105.07036	30.0
105.95855	1.6
107.08603	26.5
109.06522	13.7
109.10177	10.6
111.04415	1.7
111.08071	3.2
113.06051	2.1
115.05450	2.3
117.07013	5.2
119.08586	32.1
121.06510	13.3
121.10164	12.4
123.08091	7.3
123.11675	3.3
125.05988	1.5
125.09585	1.9
128.06204	2.5
129.06981	6.3
130.07788	1.8
131.08548	15.0
133.06471	2.2
133.10133	16.7
135.08051	14.8
135.11708	7.2
137.05948	2.6
137.09595	5.0
139.07515	3.6
141.06984	4.4
142.07765	4.6
143.08580	15.6
144.08029	1.3
144.09268	1.3
145.06491	2.0
145.10127	20.6
147.08034	5.5
147.11688	15.7
149.05925	1.9
149.09666	3.0
149.13290	4.6
151.07539	2.8
155.08540	7.3
156.09305	3.9
157.10136	15.6
159.08060	4.8
159.11700	14.9
161.09619	8.1
161.13254	4.4
163.11151	3.3
163.14798	2.2
165.09099	2.7
167.07047	5.5
167.08600	3.5
168.09349	1.9
169.10143	7.7
170.10976	3.1
171.11716	14.0
173.09644	7.9
173.13275	9.0
175.11194	4.3
175.14828	2.3
177.12807	2.5
181.10098	5.7
182.10873	3.5
183.11682	10.8
185.09674	4.7
185.13268	8.8
187.11227	6.2
187.14882	11.6
189.12721	3.8
191.08678	1.5
191.14348	1.8
193.10165	2.1
195.11673	3.5
197.13324	11.1
199.11139	4.0
199.14784	9.5
201.12749	6.2
201.16368	5.4
203.14308	4.1
207.11713	3.1
209.13315	4.1
211.11217	1.8
211.14816	4.1
213.12720	5.3
213.16348	4.0
215.14388	3.8
217.12257	2.2
219.13873	3.1
221.13330	2.8
223.14926	2.7
225.12764	4.3
225.16403	3.3
227.14249	3.4
227.17888	3.1
229.15900	2.7
229.19560	1.6
231.17433	1.7
239.14262	1.8
239.17969	4.4
241.15868	2.6
241.19476	2.4
243.13817	3.2
243.17381	2.2
245.15195	1.7
245.19093	2.4
251.17786	1.9
253.19524	9.8
255.17325	3.0
257.19034	4.0
263.17972	2.5
269.18948	13.4
271.20538	8.4
281.19058	14.5
287.20004	3.8
289.21716	1.7
299.20078	33.6
317.06613	3.3
317.21109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
52.05806	1.9
53.03933	2.1
55.01833	2.1
55.05510	11.9
55.10744	1.9
57.03421	3.2
57.07063	2.7
60.87523	1.7
67.05502	13.9
69.03416	4.3
69.07055	8.0
69.87681	9.4
71.05000	2.7
79.05487	14.7
81.07060	26.0
83.04995	2.6
83.08605	2.5
91.05473	16.4
93.07055	27.0
95.04948	3.9
95.08620	24.7
97.06522	7.3
99.04420	4.1
99.08092	2.4
103.31717	1.6
105.07039	32.2
107.04964	2.2
107.08612	23.0
109.06530	16.3
109.10186	9.5
111.04457	3.1
111.08091	4.0
113.06020	1.7
115.05492	3.0
117.07008	8.4
119.08590	23.8
121.06500	12.7
121.10150	15.7
123.08059	16.3
123.11722	5.3
125.05966	2.1
125.09677	4.0
128.06233	4.3
129.07011	8.2
131.08594	15.2
133.06477	3.2
133.10150	16.6
135.08064	19.0
135.11708	8.8
137.05971	3.3
137.09613	5.9
141.06982	4.0
142.07785	6.9
143.08563	25.0
144.09300	3.1
145.06537	3.1
145.10130	20.4
147.08038	8.6
147.11691	16.4
148.62050	1.8
149.09610	5.9
149.13303	3.1
151.07474	1.7
154.07726	4.0
155.08578	13.0
156.09322	5.3
157.10141	15.3
159.08069	9.0
159.11708	12.0
161.09651	9.3
161.13261	5.4
165.05531	3.1
165.12799	4.3
167.08556	6.1
168.09378	2.7
169.07649	2.8
169.10110	16.0
171.08081	2.9
171.11702	14.6
173.09641	9.0
173.13275	6.8
174.12810	3.2
175.11125	3.2
175.14876	3.0
176.07086	6.5
179.08644	2.2
181.10133	6.8
182.10886	5.8
183.08047	2.1
183.10223	3.3
183.11682	12.1
185.09653	5.9
185.13243	10.3
187.11218	8.3
187.14830	6.4
189.12816	3.8
192.09352	2.8
193.10068	3.4
195.11661	6.6
196.12579	2.7
197.13242	16.1
199.11241	5.4
199.14731	9.2
200.11603	1.9
201.12782	6.6
201.16367	2.8
203.14314	4.3
207.11656	2.9
209.13289	4.3
211.11220	3.0
211.14848	5.2
213.12776	7.1
213.16435	3.6
215.14343	5.2
218.18983	2.8
223.14832	4.0
225.12761	7.3
225.16359	3.3
227.14314	5.6
227.17905	3.0
239.17923	4.6
241.15932	3.7
243.13841	5.7
243.17419	7.0
246.18503	4.6
253.19576	9.2
257.18991	4.6
263.17953	2.2
269.18881	10.5
271.14395	3.3
271.20599	8.1
274.04672	2.4
281.19028	15.0
299.20102	28.3
302.04288	6.6
317.06546	13.1
317.21127	100.0
317.25073	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	317.2113
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
52.72732	4.3
53.03929	7.9
55.05507	20.3
57.07077	9.6
65.03941	4.8
67.05518	22.7
69.07070	21.7
71.52978	5.3
75.32352	4.4
79.05495	35.3
81.07061	100.0
83.04993	4.9
91.05479	20.5
93.07040	60.7
95.04984	7.7
95.08620	45.5
97.06544	5.2
105.07021	47.4
107.08602	50.2
109.06510	12.5
109.10147	25.0
111.04437	44.9
117.07048	8.2
119.08611	28.3
121.06515	45.7
121.10110	30.7
123.04401	9.6
123.08070	15.0
123.11733	5.9
123.64346	4.9
127.31115	4.9
129.07047	9.8
131.08586	39.6
133.10114	25.1
135.08076	19.1
135.11714	13.0
137.05986	6.6
137.09596	9.9
143.08595	14.4
145.10126	32.4
147.08089	6.8
147.11656	18.6
149.05980	7.3
149.09624	8.1
149.13283	28.9
155.08571	9.8
157.10132	15.9
159.11725	26.9
161.09618	11.8
161.13284	13.9
163.11256	8.2
169.10161	13.4
171.11687	15.3
173.09535	5.7
173.13322	9.5
175.14777	6.7
183.11754	13.8
187.11136	5.1
187.12874	4.3
187.14833	20.0
188.15158	5.6
195.11925	5.1
197.13275	17.5
199.14722	11.1
199.47250	5.3
201.12807	7.8
201.16498	5.9
211.14839	8.1
213.16435	7.0
215.14578	5.5
217.12224	5.5
219.17487	10.2
239.17825	6.3
241.19478	9.1
242.20328	5.8
243.21109	17.5
247.13106	5.8
253.19603	20.0
255.24239	5.9
256.22662	9.1
267.51950	5.5
271.20544	39.4
273.18610	10.5
281.18945	10.1
299.20029	41.8
302.04211	7.4
317.06696	17.6
317.21167	82.4
317.24670	9.6
317.29160	6.2
317.32312	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
61.53197	0.2
66.01077	0.2
67.05495	0.2
68.99802	0.2
70.16003	0.2
70.16358	0.6
70.68308	0.2
78.01077	0.4
79.05492	0.4
81.07069	1.1
83.99300	0.2
92.02608	0.6
93.07035	0.3
95.04965	0.2
95.08604	0.5
105.07060	0.4
107.08575	0.3
109.10199	0.3
110.03661	1.9
119.08579	0.5
121.02834	0.3
121.06513	0.4
123.31721	0.2
126.03166	0.2
130.06503	0.3
132.04472	0.3
136.01553	0.4
137.01364	0.1
137.02345	3.6
137.03354	0.3
149.09708	0.2
150.03143	0.4
152.00948	0.2
153.01839	2.2
158.06052	0.3
159.08084	0.2
159.11703	0.2
165.01866	0.4
166.02631	0.3
175.11317	0.2
176.04755	0.2
193.01349	0.8
197.13234	0.2
200.04668	1.7
201.05432	0.2
203.03313	0.3
204.04227	1.1
215.03473	0.2
217.04999	0.7
218.05679	0.4
219.07550	0.2
227.03554	0.2
228.04166	6.0
229.04987	2.8
231.02977	0.3
243.06598	0.2
245.04480	3.0
246.05292	0.5
256.03683	0.6
257.04468	2.6
273.03897	1.4
274.04733	7.9
285.03931	2.1
299.20084	1.1
301.03445	23.3
302.04224	69.9
303.04550	0.6
317.06573	100.0
318.06885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2114
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
52.36620	2.4
52.93687	2.6
53.03944	5.4
55.05501	14.5
57.03421	3.1
65.03927	3.5
67.05515	18.9
67.29237	2.1
69.03429	5.2
69.07071	13.7
69.98912	12.0
71.04996	5.9
79.05496	25.9
81.07060	35.7
83.04961	4.6
83.08613	4.4
85.02859	2.6
85.06561	3.9
91.05483	37.3
92.30981	2.4
93.07046	45.3
95.04978	23.9
95.08613	24.0
97.06526	9.0
105.04462	2.9
105.07037	70.7
106.48425	2.3
107.04950	6.1
107.08598	40.2
109.06519	21.0
109.10169	13.9
111.04504	2.7
111.08072	6.9
113.06001	5.0
115.05517	2.5
117.07011	15.3
119.08582	45.5
121.06509	71.1
121.10172	17.8
123.04423	3.0
123.08066	18.0
123.11753	3.3
128.06177	6.6
129.06992	10.8
131.04910	3.6
131.08565	29.5
133.06503	7.0
133.10139	23.9
133.23517	2.5
135.08060	29.9
135.11693	8.4
137.05946	4.1
137.09604	8.4
141.07011	6.7
142.07768	4.3
143.08585	23.3
143.09654	3.2
145.06493	3.3
145.10124	22.9
147.08025	9.5
147.11690	39.2
149.09618	9.7
149.13295	4.7
151.07536	9.8
151.11281	2.9
155.08539	8.4
156.09331	2.9
157.10149	19.4
159.08041	11.4
159.11700	21.4
161.09608	8.3
161.13228	7.3
163.11125	4.1
163.22452	2.5
165.09125	6.7
165.12634	2.6
167.03452	3.0
167.08531	3.5
167.10666	3.6
168.09377	5.4
169.10091	13.5
170.10994	3.3
171.11659	12.2
173.09628	7.0
173.13263	10.2
175.11142	9.0
178.59233	2.7
179.10635	2.5
181.10123	5.6
183.11710	14.6
185.09650	4.9
185.13292	16.2
187.11185	8.8
187.14876	6.2
189.12839	5.3
195.11694	6.1
197.13293	19.6
199.11142	4.2
199.14804	8.3
201.12747	5.1
201.16426	2.7
203.14333	4.6
207.11656	3.4
209.13290	4.0
211.11206	3.2
211.14810	7.3
213.12668	5.6
215.14369	5.3
219.13898	2.5
221.13362	4.2
223.14784	3.5
225.12790	6.0
225.16284	4.8
227.14375	3.8
229.15854	3.9
239.14362	3.2
239.18019	4.7
243.06824	3.1
243.13753	5.0
243.17384	15.3
251.18211	3.3
253.19545	9.9
255.17444	3.7
257.19080	5.6
263.18121	4.7
269.18988	15.4
271.20581	8.7
281.18991	18.5
299.20132	32.7
301.06042	5.2
302.04230	6.8
317.06375	50.6
317.09543	7.3
317.17361	4.9
317.21109	100.0
320.89594	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	317.0658
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
51.33463	0.2
53.03962	0.2
67.05497	0.4
69.03418	0.3
69.07027	0.3
69.89879	0.7
79.05462	0.2
81.07079	1.4
85.02890	0.5
91.05494	0.4
93.07030	0.5
95.08607	0.6
98.21461	0.3
105.06995	0.2
107.08589	0.3
109.10130	0.2
119.08591	0.3
121.06496	0.7
121.10125	0.4
137.02379	0.2
137.13251	0.4
145.10114	0.3
147.04559	0.2
147.11691	0.2
149.09567	0.2
149.13428	0.2
153.01842	1.3
157.10149	0.3
161.13391	0.3
162.03084	0.2
165.05533	0.6
192.04216	0.4
197.62430	0.2
200.04663	0.4
203.03403	0.9
217.04994	0.5
228.04138	1.2
229.04872	0.3
245.04526	0.4
273.03976	1.2
273.98575	0.2
274.04752	36.4
302.04254	44.6
303.04684	0.5
308.67026	0.2
317.06592	100.0
318.06973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01852	0.1
55.05497	0.3
56.09601	0.1
60.01699	0.1
65.03907	0.6
67.05476	0.3
68.99767	0.4
69.03397	0.2
69.07027	0.2
69.69522	0.8
70.06582	0.4
79.05495	0.3
81.03414	0.2
81.07066	0.8
83.08586	0.2
85.02888	0.3
91.05444	0.5
92.02627	2.6
93.03409	2.4
93.06993	0.4
94.04191	0.2
95.01324	0.2
95.04955	0.4
95.08585	0.5
97.02869	0.3
97.06469	0.2
99.47336	0.1
105.06987	0.5
107.04921	0.4
107.08549	0.5
109.02846	0.4
109.06480	0.2
109.10123	0.2
111.00825	0.4
114.35781	0.1
115.05429	0.2
115.73920	0.1
117.06994	0.2
119.08566	0.3
120.08089	0.1
121.02889	1.7
121.06496	0.2
121.10094	0.2
122.03612	0.1
123.04403	0.5
123.08097	0.2
126.03103	0.6
127.97853	0.1
131.04944	0.2
131.08559	0.2
133.02786	0.2
133.06445	0.2
133.10141	0.4
135.04361	0.2
135.07980	0.1
135.11711	0.2
137.02296	0.6
137.06029	0.3
137.29201	0.1
139.03909	1.3
141.06729	0.1
143.08514	0.2
145.06482	0.3
145.10083	0.3
147.11636	0.5
149.09514	0.1
151.03938	1.1
151.05017	0.3
152.00992	0.3
153.01834	14.8
154.02637	0.1
155.04950	0.3
159.11687	0.2
163.03880	0.4
165.01801	1.0
165.05515	0.3
166.02580	0.4
167.74449	0.1
170.02069	0.2
173.05936	0.6
173.13190	0.2
177.05458	0.4
179.03346	0.4
183.02846	0.5
183.04341	0.3
189.05553	0.2
190.06229	0.3
197.13222	0.2
200.04741	0.3
201.05469	1.5
201.12683	0.2
203.03394	1.4
211.03964	0.3
217.05005	2.3
218.05765	1.3
219.02792	0.5
228.04167	3.3
229.04961	6.4
230.05553	0.2
231.02864	0.9
232.03717	0.2
233.04483	0.2
233.08058	1.9
234.99059	0.3
243.06323	0.2
245.04492	3.4
246.05235	2.9
256.03653	0.6
257.04456	3.7
259.02179	0.1
260.03146	0.7
261.07556	0.5
271.06259	0.3
273.03925	2.8
273.06735	0.2
274.04730	6.2
284.03165	1.1
285.03946	7.7
287.01923	0.4
288.06186	0.3
299.09314	0.2
299.20053	0.4
301.03552	0.3
302.04221	19.9
317.06564	100.0
318.06784	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.1
57.03410	0.1
65.03944	0.7
67.01857	0.1
67.05501	0.1
68.99782	0.4
69.03433	0.3
69.07070	0.1
69.52225	0.5
80.65055	0.1
81.03421	0.1
81.07053	0.7
83.04971	0.1
83.08568	0.1
85.02903	0.2
91.05484	0.1
92.02625	2.7
93.03413	2.4
93.07063	0.2
94.04167	0.1
95.01349	0.1
95.04950	0.2
95.08601	0.4
101.45169	0.1
105.03390	0.1
105.07053	0.2
107.04948	0.3
107.08559	0.1
109.02901	0.2
109.06455	0.1
109.10185	0.1
111.00780	0.4
117.06992	0.2
119.08576	0.1
120.02108	0.2
121.02881	1.9
121.10139	0.1
122.03655	0.2
123.69169	0.1
124.01596	0.1
124.05187	0.1
126.03151	1.0
127.03896	0.1
131.04901	0.1
133.02864	0.2
133.06451	0.2
135.04408	0.1
136.01689	0.1
137.02333	0.4
137.05913	0.1
137.13252	0.6
139.03908	1.5
145.06537	0.2
147.04355	0.1
149.02318	0.1
150.03127	0.2
151.03914	1.4
152.01027	0.2
153.01834	15.6
155.04919	0.3
157.06506	0.1
161.06071	0.1
163.03897	0.3
165.01845	1.2
165.05554	0.1
166.02632	0.3
172.05188	0.1
173.05968	0.3
174.62408	0.1
176.04715	0.1
177.01878	0.1
177.05469	0.4
178.02568	0.1
179.03378	0.3
183.02885	0.2
183.04469	0.2
187.03932	0.3
189.05447	0.1
190.06236	0.2
192.04172	0.2
200.04657	0.7
201.05493	1.6
203.03401	1.3
204.04172	0.3
211.03909	0.2
213.05492	0.1
215.03409	0.1
217.04964	2.5
218.02383	0.1
218.05783	1.1
219.02875	0.6
227.03534	0.1
228.04179	3.3
229.04968	6.5
230.05530	0.1
231.02919	1.0
232.03764	0.1
233.04436	0.1
239.03430	0.2
243.06528	0.2
245.04486	3.1
246.05246	2.8
247.02484	0.2
256.03720	0.6
257.04456	4.3
258.05276	0.1
259.02341	0.1
260.03168	0.8
261.07538	0.5
271.05981	0.3
273.03937	3.1
274.04733	6.5
284.03207	0.9
285.03940	7.6
286.04669	0.2
287.01859	0.3
288.06308	0.4
301.03448	0.5
302.04227	20.4
317.06561	100.0
318.06934	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0649
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
55.05485	0.1
57.83408	0.1
65.04563	0.1
67.01833	0.1
67.05492	0.1
69.03385	0.1
69.07060	0.1
69.72176	0.1
70.06542	0.1
71.53851	0.1
79.05489	0.1
81.07034	0.2
91.05470	0.2
92.02614	0.1
93.07009	0.2
95.08579	0.1
97.06508	0.1
105.07005	0.2
107.04945	0.4
107.08551	0.1
109.10181	0.1
119.08562	0.1
121.06509	0.6
122.06819	0.3
123.04408	0.1
124.99864	0.1
126.03193	0.1
131.08594	0.1
133.10106	0.1
137.02357	0.2
139.03827	0.1
143.08455	0.1
147.11662	0.1
149.05951	0.1
152.14336	0.2
153.00569	0.1
153.01811	1.3
153.14638	0.1
157.10094	0.1
161.09587	0.1
163.03902	0.1
165.05505	0.4
174.10251	0.1
176.04703	0.1
178.02597	0.1
192.04138	0.3
200.04691	0.3
201.05513	0.1
203.03348	0.7
215.14297	0.1
217.04997	0.6
218.05794	0.2
227.03589	0.1
228.04185	1.0
229.04929	0.3
243.06387	0.1
245.04451	0.3
246.05145	0.1
256.03690	0.3
257.04510	0.2
271.05954	0.2
271.10956	0.1
271.20663	0.1
272.20163	0.3
273.03931	1.2
273.20508	0.4
274.04712	35.6
275.05161	0.3
285.03992	0.2
299.10223	0.1
299.20187	0.1
301.03473	0.5
302.04208	43.3
303.04480	0.3
316.05356	0.4
316.22775	0.2
317.06549	100.0
318.06918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.1
55.01858	0.1
55.05497	0.2
65.03650	0.1
65.03926	0.5
67.05486	0.3
68.99796	0.3
69.03438	0.2
69.07047	0.1
70.37041	0.3
77.03973	0.1
79.05465	0.2
81.03415	0.1
81.07027	0.3
83.04981	0.2
85.02882	0.2
85.06519	0.1
91.05470	0.2
92.02624	2.0
93.03409	1.8
93.07034	0.2
94.04195	0.1
95.01315	0.1
95.04953	0.1
95.08590	0.3
97.06528	0.1
103.05508	0.1
105.07002	0.3
107.04951	0.1
107.08588	0.3
109.02882	0.2
109.06519	0.1
109.10131	0.1
111.00780	0.2
117.07016	0.2
119.08591	0.2
120.02122	0.2
121.02856	1.4
121.06507	0.3
121.10114	0.3
122.03651	0.1
123.04433	0.2
124.05230	0.1
126.03134	0.9
131.04904	0.1
131.08510	0.1
131.59454	0.1
133.02744	0.1
133.10127	0.1
135.08102	0.1
135.11676	0.1
137.02306	0.6
137.05971	0.3
139.03885	1.2
143.08522	0.2
145.06450	0.2
145.10126	0.2
147.07982	0.1
149.02396	0.2
150.03094	0.1
151.03915	1.2
151.07420	0.1
152.01035	0.2
153.01826	12.2
153.12628	0.1
155.04854	0.2
163.03899	0.2
165.01813	0.8
165.05508	0.2
166.02621	0.2
167.03423	0.2
173.05934	0.3
177.05508	0.4
179.03401	0.2
183.02911	0.2
183.04411	0.2
184.05237	0.1
187.04079	0.2
189.05409	0.1
190.06253	0.1
192.04187	0.3
200.04655	0.6
201.05498	1.2
203.03363	1.3
204.04045	0.1
217.04953	2.2
218.05742	1.1
219.02893	0.4
228.04172	2.6
229.04956	5.4
230.05330	0.1
231.02861	0.7
232.03741	0.2
233.04553	0.2
239.03349	0.2
243.06586	0.2
245.04434	2.3
246.05208	2.0
256.03812	0.5
257.04443	3.5
260.03152	0.5
261.07532	0.3
271.05994	0.3
273.03912	2.7
274.04709	12.9
275.05246	0.1
284.03091	0.9
285.03934	5.9
286.04773	0.1
288.06320	0.3
299.05167	0.1
299.19864	0.1
301.03351	0.4
302.04199	24.8
303.04623	0.2
317.06540	100.0
318.06955	0.9
325.02841	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	317.0658
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
50.38159	0.1
50.92490	0.1
52.07714	0.1
52.31855	0.1
60.05537	0.1
62.33212	0.1
65.03942	0.8
66.48045	0.1
67.01898	0.2
68.99826	0.4
69.03454	0.1
69.39125	0.6
69.39554	0.6
85.02924	0.3
91.05501	0.2
92.02638	2.6
92.03179	0.2
93.03419	2.6
93.07075	0.2
94.04237	0.2
99.07867	0.1
109.02905	0.2
111.00870	0.4
121.02876	1.7
122.03690	0.4
126.03135	1.0
135.04399	0.2
137.02391	0.5
137.05983	0.2
139.03899	1.6
145.06516	0.2
147.04471	0.3
147.08112	0.2
150.03123	0.2
151.03946	1.4
151.05049	0.3
152.01094	0.2
153.01843	14.5
163.03981	0.2
165.01869	1.0
166.02673	0.4
173.06073	0.3
177.01826	0.2
177.05560	0.3
179.03465	0.2
183.02992	0.3
183.04413	0.2
187.03951	0.3
189.05556	0.2
200.04709	0.7
201.05455	1.4
203.03394	1.3
204.04239	0.2
217.04994	2.1
218.05750	1.3
219.02943	0.5
228.04175	3.6
229.04997	6.9
231.02911	1.0
232.03766	0.3
239.03441	0.3
243.06487	0.2
245.04494	3.5
246.05270	3.0
256.03690	0.4
257.04468	4.1
260.03201	0.7
261.07614	0.5
271.06180	0.2
273.03955	3.4
274.04745	6.1
284.03235	0.6
285.03967	7.0
286.04681	0.3
286.19846	0.2
287.01898	0.3
288.06277	0.3
301.03510	0.3
302.04245	21.5
317.06586	100.0
318.06946	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.2
60.72418	0.2
63.80741	0.2
65.03940	0.5
67.05494	0.5
68.99775	0.3
69.03428	0.4
71.54539	0.2
71.83078	0.2
79.05480	0.3
81.07051	0.7
83.04993	0.2
86.09704	0.5
87.10030	0.3
91.05488	0.4
92.02618	2.8
93.03405	2.3
93.07032	0.5
94.04193	0.2
95.04922	0.3
95.08612	0.3
97.06549	0.4
105.07030	0.5
106.37835	0.2
107.04938	0.2
107.08572	0.2
108.60114	0.2
109.02835	0.3
117.07027	0.2
119.08630	0.2
120.02093	0.2
121.02881	1.7
121.06477	0.2
121.10198	0.3
123.04493	0.3
126.03126	1.0
129.10193	0.2
131.08575	0.2
133.10225	0.2
133.29048	0.2
137.02361	0.5
137.09653	0.2
137.13220	0.2
139.03896	1.3
145.10118	0.2
149.09641	0.2
151.03914	1.2
152.01114	0.2
153.01836	16.2
155.04938	0.2
161.09535	0.3
163.03903	0.3
165.01804	1.1
165.05502	0.3
166.02583	0.4
167.10722	0.2
173.06006	0.3
177.05499	0.3
183.02940	0.2
183.04375	0.3
185.13167	0.2
189.05545	0.3
200.04724	0.7
201.05486	1.5
203.03430	1.3
217.04980	2.2
218.05748	0.8
219.02870	0.6
228.04213	2.9
229.04977	6.0
231.02930	0.7
243.06404	0.3
245.04472	3.2
246.05249	2.8
256.03699	0.7
257.04456	4.0
260.03320	0.5
261.07474	0.4
271.06000	0.3
273.03934	2.8
274.01712	0.4
274.04721	7.8
284.03214	0.5
285.03934	6.7
286.04507	0.3
288.06244	0.4
299.20111	0.3
301.03204	0.3
302.04214	20.1
302.30655	0.2
308.56097	0.2
316.12329	0.2
317.06564	100.0
318.06946	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2847
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05513	5.0
56.05035	3.8
57.03429	0.8
57.07077	2.1
58.02972	0.9
60.04529	100.0
60.10789	0.5
67.05512	7.8
68.05051	0.6
69.07071	4.8
70.06613	0.9
70.75172	1.4
71.08647	1.0
72.04536	2.2
74.06074	3.3
79.05502	3.3
80.05037	1.5
81.07053	6.7
82.06601	1.5
83.08639	2.6
85.10178	0.5
86.06085	0.8
87.04479	0.7
90.05569	1.3
91.05489	2.2
93.07040	2.9
94.06590	0.5
95.04968	0.5
95.08610	6.8
97.10190	2.0
98.06072	0.7
100.07614	0.6
105.07036	1.8
107.08617	2.0
107.62954	0.5
109.10146	2.6
112.07616	0.6
112.88493	0.5
119.08593	1.3
121.10146	2.3
123.11726	1.0
125.13273	0.5
133.10121	1.1
135.11668	0.7
147.11653	0.6
149.13397	0.4
221.22800	0.7
250.25348	1.2
262.25330	1.5
268.26343	0.8
280.26364	11.8
298.27429	15.5
316.28473	55.1
317.29175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
53.74980	0.5
55.05515	4.8
56.05043	4.0
57.03435	0.7
57.07081	2.4
58.02955	0.6
59.61115	0.6
60.04530	100.0
63.31670	0.4
63.46117	0.4
67.05514	7.1
68.05032	0.5
69.07076	5.2
69.87392	2.5
70.06598	1.1
71.08640	0.6
72.04519	2.3
74.06084	1.9
74.21867	0.5
76.08192	0.5
79.05488	4.3
80.05041	1.2
81.07063	10.4
82.06593	1.8
83.05022	0.6
83.08620	2.6
85.10201	0.6
86.06066	0.7
87.04479	1.7
88.07603	0.5
90.05564	1.8
91.05499	2.4
93.07050	3.6
94.06570	0.7
95.04959	0.7
95.08605	6.9
97.10176	1.6
98.06107	0.6
105.07027	2.0
107.08612	1.9
109.06467	0.6
109.10167	2.8
112.07625	0.8
116.07080	0.6
119.08624	1.4
121.10181	2.0
123.11700	1.2
133.10120	1.3
135.11662	0.8
147.11664	0.4
159.31375	0.5
164.92227	0.4
211.19978	0.5
250.25389	1.7
251.23817	1.0
256.26276	0.6
262.25339	1.5
263.23581	0.6
268.26453	0.6
280.26358	10.9
298.27405	15.1
316.28476	62.5
317.21213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01868	0.5
57.03419	0.6
61.02910	1.1
66.47452	0.3
67.05511	0.7
69.03141	0.3
69.03441	3.7
70.06602	0.7
70.65234	0.8
71.04998	0.5
72.08154	0.6
73.02918	0.8
77.00304	0.3
79.05486	1.1
79.27319	0.4
80.05018	0.5
80.05935	0.3
81.03424	0.8
81.07061	2.4
82.06590	1.8
85.02915	7.4
86.09713	2.7
87.04474	1.0
90.85804	0.3
91.03934	0.5
91.05493	3.6
93.05799	1.3
93.07060	0.8
94.06583	0.8
95.08625	0.5
96.08130	1.9
97.02907	2.9
99.04463	0.6
106.06551	0.3
108.08130	23.4
109.02895	0.9
109.06516	0.4
110.06042	1.1
116.07117	0.4
117.05796	0.5
118.06538	0.9
119.04965	0.5
119.07287	0.4
121.50604	0.3
122.06033	2.0
123.06859	1.0
124.07609	17.3
126.03745	0.4
126.09203	0.7
127.03902	1.6
135.04376	0.4
136.07593	11.3
137.06000	1.4
137.08380	7.7
138.09146	1.8
145.04962	0.9
150.09200	0.3
152.05339	1.2
154.08649	100.0
155.04523	0.3
155.08984	0.4
166.08650	1.8
170.06375	20.4
178.08640	0.8
183.08069	0.5
184.09692	0.4
196.09747	0.6
199.18044	0.6
220.09772	0.5
232.09784	0.3
253.08467	0.4
263.88095	0.3
270.07977	0.4
316.14063	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	316.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
53.09421	0.2
55.05501	1.1
67.05499	0.3
69.03407	0.4
71.24202	0.4
72.08137	0.3
79.05499	0.4
81.07053	1.7
83.08608	0.4
84.08102	0.2
85.02897	0.7
91.05473	0.9
95.04883	0.2
96.04527	0.3
96.08153	0.4
97.02884	0.3
97.05256	0.5
98.06048	0.7
98.09698	0.5
108.08138	0.7
109.06529	1.4
110.06026	0.9
110.06763	0.3
111.06808	0.6
122.74603	0.2
124.07616	1.7
124.08353	0.3
125.08358	0.4
126.09140	0.9
138.09087	0.5
139.06287	0.9
154.08632	100.0
155.08977	0.5
166.08632	0.4
184.09752	0.4
316.14148	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65432	2.9
56.96564	15.9
66.79574	3.3
68.35985	3.3
71.52081	6.5
79.67677	2.9
84.96024	3.8
98.97585	16.6
101.00913	19.6
109.21435	3.2
116.98637	7.6
119.01942	32.2
124.99165	4.7
127.02416	7.5
136.94090	5.6
137.03033	4.9
143.00214	7.8
143.01872	3.9
145.03476	19.1
156.38574	3.3
157.03491	5.9
161.01236	4.8
161.03000	6.4
164.93494	4.5
169.03459	28.8
171.05006	3.7
174.97672	9.6
175.97791	16.4
177.00931	6.7
185.01546	3.8
185.02963	17.0
187.04546	34.5
189.02559	3.9
192.98753	5.1
193.98888	10.5
197.02989	7.9
201.99368	4.9
203.02467	6.0
205.05640	5.9
205.97656	4.5
206.00340	3.5
214.98344	3.8
215.04086	5.9
220.00346	12.4
224.65572	3.4
226.98027	4.6
227.97446	3.6
229.05684	20.2
234.03780	4.4
234.99704	4.2
245.98460	9.1
246.02142	3.9
246.98080	5.2
247.06639	7.6
262.99384	4.5
263.99704	4.1
275.06146	100.0
283.99609	4.1
291.99002	10.5
293.07144	14.3
297.98083	6.9
310.00089	3.3
315.98950	7.3
316.02621	4.3
317.02127	5.2
334.00171	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	316.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86850	0.8
56.96567	46.0
57.03437	3.2
57.30470	0.7
61.02926	6.8
69.03421	6.0
69.99870	3.4
70.06590	1.4
70.98130	5.7
71.04995	0.9
71.95268	3.8
72.96035	1.6
73.02927	4.3
81.03407	2.4
82.06580	1.8
82.91145	0.7
83.97616	2.2
84.08144	1.8
84.96040	4.0
85.02912	9.0
86.09699	2.0
87.04475	1.0
88.99155	1.7
89.03942	0.9
91.05487	3.1
97.02888	6.1
97.99177	0.8
98.06062	1.5
98.97588	100.0
99.04440	1.8
99.97937	1.2
100.07616	2.4
101.00849	1.9
108.01568	0.9
108.08092	1.3
109.02856	1.9
110.74375	0.8
110.97565	7.3
112.00879	0.9
112.99137	4.8
113.02373	1.0
115.00717	1.3
116.07124	2.8
116.98629	36.0
117.01939	1.3
119.01831	3.8
119.04955	5.0
120.02169	0.7
123.05553	2.0
124.95503	3.3
124.99097	1.9
126.02496	0.8
127.03906	3.6
128.02350	1.9
128.98608	8.0
130.93289	4.5
131.00177	2.3
131.01881	0.7
132.00803	0.9
132.01985	0.8
134.99673	7.5
135.03203	0.8
135.04443	1.1
135.05522	0.9
136.06169	1.9
136.07581	6.4
137.02844	1.0
137.05975	1.0
140.03848	0.9
140.98648	0.9
141.01283	2.3
141.02269	0.8
141.97090	0.9
142.05409	2.1
142.96524	1.4
143.00159	3.6
144.96445	0.7
144.98082	1.4
145.01750	1.0
145.04988	1.3
146.00021	1.0
146.08151	1.2
146.99644	4.0
147.04391	12.9
148.02080	1.2
148.03864	1.0
148.94373	0.9
149.01181	0.9
150.01819	1.8
152.94975	1.2
153.06616	3.4
154.03848	1.5
154.05011	0.9
154.06961	4.1
154.08691	3.1
154.93321	2.2
154.96581	2.3
158.04942	2.7
158.99727	3.8
159.03188	0.8
160.06496	1.6
161.01199	2.1
161.03053	1.0
163.02756	1.1
163.03946	4.1
164.07092	1.5
165.00728	0.8
165.07452	2.1
169.04477	1.3
170.04921	2.4
170.96066	3.3
170.99701	1.7
172.94359	9.0
172.97594	8.6
172.99054	0.9
172.99792	1.1
173.01295	2.1
174.99136	1.5
176.05916	0.7
177.00732	2.8
178.05006	1.5
183.02319	1.0
185.01314	1.0
186.99260	2.0
188.02315	1.1
188.05983	3.1
188.97044	6.3
189.00722	2.9
190.07487	1.1
190.95541	4.1
190.98639	8.1
191.02289	1.2
193.00305	1.2
196.02824	7.4
197.02095	2.1
202.98695	2.1
203.02240	0.8
204.02934	1.0
205.00195	2.0
205.03812	1.0
206.06995	16.4
206.98175	2.9
207.01805	2.4
208.99821	1.5
213.03362	4.1
213.05339	2.8
214.03871	6.7
214.95418	4.7
214.98692	2.0
218.98235	1.9
219.01851	3.5
220.04488	1.3
220.99736	1.5
221.05104	1.1
222.03891	1.7
223.01402	1.5
224.08043	15.1
226.02457	1.8
226.05913	1.7
229.04742	1.9
232.04903	0.9
232.96478	7.1
232.99728	9.3
233.03391	1.0
235.02890	1.6
235.06641	2.0
236.96574	1.2
237.02849	2.9
240.98695	1.1
241.04764	0.8
242.03394	0.9
244.96449	1.1
247.01253	0.9
248.99063	1.1
250.97855	1.5
251.00742	7.5
256.04944	11.1
256.07281	0.9
256.96472	11.6
260.99240	1.0
262.97931	0.9
263.00909	1.1
269.05499	1.0
269.99762	0.8
273.96722	0.9
274.01080	1.4
274.05960	9.1
274.97534	63.9
284.04614	2.8
292.93381	1.6
292.98633	27.0
293.01810	3.2
302.05487	8.7
304.05927	0.8
315.60818	0.8
316.08142	14.8
316.13879	3.9
316.18103	0.8
316.91599	1.0
320.06613	2.2
334.08588	1.7
337.08191	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	84.0
57.03429	3.0
61.02920	5.5
69.03426	5.7
69.64882	4.5
69.65298	7.3
70.98126	45.3
71.95263	4.1
73.02912	3.1
76.77248	2.1
82.06586	2.8
84.96037	4.5
85.02922	9.9
87.04449	2.2
88.99160	8.4
89.03922	4.3
91.05493	20.5
97.02892	6.2
98.97588	100.0
99.97920	2.6
100.07627	3.5
104.35538	2.0
105.61112	1.9
110.97581	8.4
116.98628	36.5
117.03387	4.6
119.01864	4.1
119.04958	25.4
124.99121	4.7
128.98595	15.3
130.93314	2.7
131.01852	2.4
134.99672	6.0
135.04445	5.8
136.06113	3.4
136.07591	4.3
143.00142	6.0
145.01765	2.1
145.03465	2.3
145.04936	2.6
146.77730	1.8
146.99632	15.4
147.03239	4.7
147.04414	77.0
148.04779	4.8
148.23618	2.0
154.06903	3.0
154.08650	3.3
154.96503	20.7
156.03320	2.5
158.01155	2.7
158.99628	4.8
161.01228	3.7
161.02946	2.9
163.03896	23.9
164.04230	3.1
164.07018	2.5
165.00771	6.8
165.07420	3.0
170.99709	4.1
172.94397	7.4
172.97594	64.9
177.00694	2.8
186.04384	3.0
186.99173	2.9
189.00578	2.6
190.95407	2.6
190.98650	61.2
200.97073	10.2
202.03922	3.4
205.00183	15.5
208.99692	7.5
214.95392	4.4
214.98589	11.4
218.98166	22.4
219.03574	2.9
220.02861	4.8
220.04868	6.8
223.01213	6.1
226.06023	2.6
232.96353	4.5
232.99707	67.3
235.02829	4.2
235.06644	3.3
236.99181	4.9
237.02898	3.0
247.01044	2.8
251.00735	29.2
256.96460	11.7
260.99231	2.6
263.63297	2.3
271.03339	2.3
274.97507	61.0
275.00699	13.5
291.97266	3.4
292.98563	24.9
293.01743	9.9
293.04330	5.6
311.05463	3.3
316.07739	22.1
316.13232	4.4
316.91644	3.5
334.08948	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	315.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.8
55.01886	22.9
55.05519	47.4
57.03196	3.2
57.03445	35.3
57.07093	3.4
59.05008	6.6
61.02931	18.7
66.81194	3.1
67.05515	22.5
69.03436	37.5
69.07075	24.0
71.01347	10.4
71.04998	50.6
71.53288	4.3
73.02921	23.3
79.05499	26.3
81.03413	9.7
81.07067	41.6
83.04987	8.3
83.08639	6.5
85.02916	71.7
85.06557	6.4
85.92715	2.8
87.04477	11.7
89.06007	4.9
91.03989	3.0
91.05486	39.6
93.06479	5.0
93.07055	72.3
95.04999	24.0
95.08607	24.0
97.02879	23.8
97.06527	12.0
99.04448	4.0
103.03950	10.1
103.05418	4.0
105.06398	4.7
105.07041	57.6
107.04952	13.1
107.08607	76.9
109.02834	5.7
109.06536	35.6
109.10163	38.5
109.94681	3.0
111.04450	8.1
111.08057	11.4
115.03944	17.6
115.05400	4.7
117.07037	16.5
119.07316	6.0
119.08594	65.6
121.02908	3.7
121.06503	14.0
121.10150	18.7
123.04472	5.5
123.08092	24.8
123.11726	10.1
125.05967	4.0
127.03938	9.1
127.11204	9.5
128.06226	5.8
129.05487	6.3
129.06999	7.0
131.08585	38.4
133.04973	26.1
133.06496	12.9
133.10176	15.1
135.04443	4.0
135.08052	11.9
135.11714	29.2
137.05962	9.8
137.09616	13.1
137.13223	3.4
139.11215	5.3
143.08566	18.8
145.04942	4.1
145.10120	24.0
147.03085	3.2
147.04379	7.7
147.08073	33.3
147.11676	14.7
149.09592	15.7
151.07501	8.4
151.11177	15.1
152.07034	5.8
153.01811	6.3
153.07327	5.2
153.12750	23.2
154.08638	3.3
155.08582	9.8
157.10126	6.5
159.08069	10.6
159.11703	10.8
161.09695	8.6
161.13275	4.4
162.06384	4.0
163.07608	5.9
163.11206	18.5
165.09084	5.0
165.12781	100.0
167.07016	8.0
169.10330	3.2
171.07953	6.7
171.11670	8.7
173.09639	36.4
173.13249	11.3
175.07510	7.6
175.11234	5.6
177.12747	30.5
185.13351	4.0
187.02319	6.7
187.11232	6.9
187.14868	3.6
189.12759	16.5
191.10681	10.2
193.08527	3.8
195.13802	7.0
197.13171	3.9
201.12761	14.4
205.12273	5.0
207.13794	9.9
219.04935	3.2
219.13876	20.5
231.13869	5.4
243.13910	12.4
261.14886	19.9
265.08612	5.3
279.15924	14.4
280.51727	3.1
297.16956	14.5
301.35648	3.2
315.14041	12.9
315.17996	26.3
316.13559	4.1
331.03442	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	315.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.6
55.01866	24.6
55.05318	4.8
55.05519	53.2
57.03437	38.9
59.04996	10.8
61.02921	17.0
67.05498	18.4
69.03430	41.4
69.07058	26.1
69.50394	36.9
71.01343	7.8
71.04998	87.8
73.02561	4.7
73.02921	31.0
79.05495	34.8
81.03416	22.1
81.07053	58.9
83.04990	9.7
83.08627	11.3
85.02908	91.8
85.06537	6.0
86.09676	7.5
87.04482	8.0
91.05489	66.6
93.07051	88.7
93.15934	4.8
95.04962	22.6
95.08615	38.5
97.02900	30.8
97.06497	8.5
101.02365	6.4
103.03945	19.4
105.07043	64.2
107.04951	17.9
107.07886	6.3
107.08603	95.6
109.02890	6.7
109.06528	34.5
109.10155	20.3
111.04460	8.7
111.08068	12.3
115.03940	16.8
115.05460	6.7
117.07023	20.9
118.27870	4.9
119.04929	23.5
119.08598	74.5
121.06496	16.9
121.10159	21.3
123.04452	7.0
123.08054	31.4
123.11645	7.8
127.03905	5.0
129.05486	8.6
129.06993	10.5
130.06670	4.7
130.07780	8.8
131.08546	36.6
133.04985	31.9
133.06458	18.7
133.10129	18.2
135.04404	5.0
135.08035	8.1
135.11682	31.6
137.05925	7.4
137.09621	19.8
137.13252	6.2
143.08562	19.8
145.10141	37.8
147.04413	40.1
147.08047	43.9
147.11694	14.1
149.09642	16.3
151.07581	11.4
151.11177	19.1
153.05469	9.7
153.12769	29.2
155.08440	6.0
157.10175	5.8
159.08078	14.8
159.11673	13.7
161.06013	6.8
161.09659	10.1
163.11169	15.4
165.12776	100.0
171.11659	5.9
171.26369	5.2
173.09691	42.4
173.13274	15.0
175.07571	12.6
177.12727	25.9
183.11742	7.2
187.11203	9.4
189.12747	21.7
191.10698	15.3
195.02913	15.6
195.13779	11.3
201.12708	16.5
207.13763	8.5
219.13802	23.5
223.07423	6.3
231.13806	9.0
243.13887	13.8
246.04430	8.5
261.14893	28.4
264.05359	6.9
265.08545	10.1
279.15891	17.5
283.09589	5.5
297.11151	7.4
297.16953	14.7
315.09540	13.6
315.13916	29.9
315.18082	27.1
316.13687	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	315.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
55.01863	18.7
55.05518	30.7
56.96556	7.1
57.03442	31.8
57.07069	7.4
59.04994	7.2
61.02916	17.1
67.05495	32.2
69.03429	42.3
69.07078	31.9
70.06573	6.3
70.34296	12.5
71.01362	13.2
71.04994	84.2
73.02914	24.2
79.05495	34.4
81.03407	26.6
81.07063	57.9
83.04993	19.4
83.08615	7.4
85.02907	99.6
85.06577	7.3
89.06033	6.7
91.05483	65.8
93.07050	77.4
94.30891	4.9
95.04982	31.0
95.08617	50.2
97.02892	42.0
97.06516	18.8
98.97566	11.9
101.02390	5.4
103.03954	23.3
103.05455	11.4
105.03441	7.0
105.07037	100.0
107.01332	5.4
107.04926	34.2
107.08592	88.7
109.02846	8.5
109.06504	35.9
109.10157	24.3
111.04449	10.8
115.03906	15.0
115.05514	7.6
117.07018	28.7
119.04937	7.2
119.08585	97.3
121.02940	7.6
121.06529	27.5
121.10167	39.1
123.04430	10.4
123.08067	32.7
123.11698	5.9
127.03912	17.3
128.03745	5.1
128.06213	14.5
129.05492	13.1
129.07001	20.8
130.07773	7.5
131.08566	56.4
133.04988	16.9
133.06491	15.9
133.10127	20.9
135.08058	23.9
135.11697	42.8
137.05998	13.3
137.09602	24.7
137.13280	8.7
139.07539	9.3
139.11133	13.4
142.07750	6.4
143.08572	32.7
145.06464	9.8
145.10136	55.3
147.04366	11.9
147.08063	66.5
147.11671	25.8
149.09634	21.9
151.07536	15.1
151.11182	19.1
153.01840	59.6
153.07065	6.5
153.12717	35.8
155.08553	18.6
157.10091	17.2
159.08084	20.2
159.11696	16.5
161.05923	15.1
161.09634	12.7
161.13287	9.8
163.03938	6.1
163.07562	11.9
163.11179	23.5
165.12741	81.3
171.08044	12.2
171.11700	8.1
173.09602	41.6
173.13263	20.2
175.03857	6.9
175.07538	16.9
175.11186	8.5
177.12720	31.6
179.10597	5.6
181.12300	7.1
183.08148	7.8
183.11664	19.0
185.13319	12.0
187.11214	7.3
189.12755	22.2
191.10678	18.2
193.12140	7.0
195.02863	15.7
195.08168	10.4
195.11787	6.4
195.13725	13.0
201.12701	13.5
207.13716	9.3
208.05188	7.5
219.13823	13.1
223.07564	10.0
226.06238	5.9
231.13802	23.7
237.14688	6.3
243.13835	14.6
251.07172	6.8
255.10342	6.7
259.10715	11.6
261.14893	26.7
269.05420	6.2
269.08081	33.0
279.15918	20.4
283.09598	17.7
287.05585	8.7
297.03897	16.6
297.07587	26.5
297.17136	16.8
303.05048	20.6
315.04935	23.0
315.08514	14.0
315.13879	39.7
315.19363	31.6
315.22559	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	315.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76631	2.4
53.03933	4.7
53.13750	2.3
54.39957	2.4
55.01868	16.6
55.05312	2.7
55.05516	33.3
56.55961	3.0
57.03431	28.8
57.07072	4.5
59.04993	4.8
61.02914	9.7
63.68384	2.6
65.03939	2.8
67.05511	19.5
69.03432	31.9
69.07071	18.5
71.01358	6.4
71.04504	5.1
71.04985	47.8
73.02917	18.7
77.03928	3.5
79.05493	24.1
81.03387	13.4
81.07062	31.4
83.04987	8.6
85.02905	51.3
85.06522	3.2
87.04476	6.8
88.98624	2.6
90.56858	3.1
91.05471	36.5
93.07047	59.7
95.04957	15.2
95.08614	36.6
97.02895	19.2
97.06534	8.4
99.04455	6.7
103.03951	11.2
105.04549	2.8
105.07025	51.1
107.04944	49.6
107.08592	75.1
109.02882	4.9
109.06512	28.9
109.10170	15.7
111.04416	6.8
111.08096	7.8
115.03948	17.0
115.05421	4.7
117.06999	14.0
119.04982	7.7
119.08575	45.0
119.09363	4.3
121.02832	7.6
121.06516	11.7
121.10154	12.7
123.04418	4.4
123.08060	24.9
123.11691	4.8
125.09652	3.6
127.03915	7.3
127.11212	3.2
128.06183	5.0
129.05484	5.7
129.06992	9.6
130.07748	4.4
131.04918	7.2
131.08578	26.7
133.04964	27.1
133.06517	9.8
133.10143	11.4
135.08032	11.1
135.11687	36.0
137.05995	7.5
137.09593	12.9
139.07622	3.6
139.11214	3.1
143.08548	12.9
145.06531	6.3
145.10138	25.6
147.04405	38.5
147.08040	32.4
147.11678	12.3
149.09628	11.8
149.13226	4.8
151.07515	4.5
151.11211	9.0
153.01790	6.3
153.12714	19.0
155.08617	4.3
157.06480	3.5
158.07283	4.1
158.90767	3.2
159.08054	8.5
159.11696	7.3
161.09634	6.2
161.13258	4.6
163.07538	6.0
163.11188	14.9
165.09067	4.4
165.12755	77.5
167.17264	3.3
171.08057	4.6
171.11674	4.7
173.09621	20.1
173.13216	8.6
175.03896	19.5
175.07536	6.3
175.11150	4.9
177.01862	3.2
177.12718	21.7
183.08144	4.1
183.11624	5.1
187.11118	4.7
189.12741	14.4
191.10728	6.8
191.14378	2.8
193.12300	4.2
195.02806	3.0
195.08131	4.6
195.13919	5.8
199.07559	6.3
201.12831	5.9
205.12323	3.6
207.13850	6.6
209.69507	2.7
213.08943	3.8
215.14262	4.1
219.13756	15.2
223.07550	10.2
231.13814	9.9
241.08571	6.1
243.13847	10.5
249.15068	4.0
251.07040	7.1
255.10146	3.8
261.14868	14.8
269.08054	83.9
279.06567	3.0
279.15869	13.2
297.07559	100.0
297.16849	12.8
315.05054	6.1
315.08432	7.4
315.12457	4.1
315.17874	20.3
324.60013	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	315.1049
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
56.96563	1.0
64.23335	0.3
64.85857	0.4
69.03416	0.7
69.15799	3.1
69.16207	0.7
70.98119	0.4
81.03399	0.4
82.43803	0.4
83.05062	0.3
85.02903	0.8
88.47991	0.4
89.03927	1.9
90.11291	0.3
91.05487	0.5
93.07036	0.4
95.04960	0.5
98.97613	2.1
99.92569	0.4
107.04945	2.2
116.41216	0.4
116.98621	1.0
117.03386	0.7
120.08118	1.3
135.04422	4.0
138.09151	1.7
139.03911	1.1
145.02846	0.9
146.99651	0.4
147.04411	1.6
153.01859	1.0
153.05402	1.7
156.10161	1.7
163.03915	9.3
164.04260	0.7
164.07127	0.7
177.00723	1.4
185.04179	0.5
237.08690	0.4
249.02937	0.6
297.17981	0.7
315.10513	100.0
315.19125	2.9
316.10812	0.7
321.05035	1.1
333.05072	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1226
Annotation	3'-Deoxysappanone B
Peak:m/z	Relative Intensity
51.02377	0.1
51.96433	0.1
53.03936	0.3
70.77264	0.2
70.77598	0.2
77.03913	0.2
78.04711	0.6
79.93690	0.1
91.05483	1.5
93.07043	0.2
95.04972	0.5
105.04488	0.1
106.04192	0.3
121.06509	100.0
122.06838	0.4
157.82170	0.1
178.02635	0.1
183.65367	0.1
193.05019	0.7
272.91837	0.1
315.08475	0.1
315.12268	2.2
315.19513	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	315.0864
Annotation	7,2'-Dihydroxy-6,4'-dimethoxyisoflavone
Peak:m/z	Relative Intensity
51.02383	0.5
55.01864	0.8
57.79041	0.4
65.03941	0.9
67.05510	0.9
69.03415	1.5
69.60771	2.5
69.61194	0.8
77.41146	0.5
79.01863	2.8
79.05498	5.5
81.03415	0.9
81.07058	2.0
82.56685	0.4
83.04984	0.5
83.08627	0.5
89.03908	1.1
91.05482	1.4
93.07042	0.8
95.01335	0.8
95.04965	0.5
95.08601	1.2
97.02895	1.1
99.08141	0.5
101.64610	0.5
102.04723	2.9
103.05489	7.6
105.07037	1.5
107.01322	3.1
107.04975	5.3
107.08587	0.8
109.02954	0.6
109.06520	0.5
115.14973	0.4
117.03407	1.3
118.04136	0.5
121.10140	0.8
122.03625	0.4
123.00775	2.3
125.02347	4.5
129.03375	2.5
130.04134	2.4
131.04944	7.0
133.06551	0.5
135.04411	3.7
137.02370	1.9
137.05960	2.3
137.13300	0.6
139.03885	1.7
143.77982	0.5
145.02858	11.3
146.03633	4.2
147.04404	1.5
152.01042	0.9
153.01842	46.2
153.07028	0.9
157.02788	2.3
158.03644	3.2
159.04384	0.7
161.05974	9.0
162.06766	1.1
163.03915	16.9
163.07561	2.0
173.02356	6.2
174.03156	2.0
179.03412	0.7
179.50487	0.5
181.06491	2.4
189.05478	12.3
191.03400	68.1
203.03442	0.8
209.04451	37.6
226.06361	0.8
227.07019	1.1
232.06061	2.1
237.05492	5.7
254.05637	0.8
255.06606	1.8
265.05054	1.2
269.08160	1.1
283.06079	1.4
297.07565	6.2
315.08627	100.0
316.08923	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0862
Annotation	7,2'-Dihydroxy-6,4'-dimethoxyisoflavone
Peak:m/z	Relative Intensity
51.02365	0.6
55.01875	1.1
58.35778	0.4
58.93221	0.5
60.15387	0.5
62.80024	0.5
65.03951	0.8
65.44367	0.5
68.99785	2.6
69.03431	2.7
69.07055	0.9
69.86386	2.3
77.03935	0.8
79.01851	4.0
79.05495	6.5
81.03389	1.0
81.07043	2.2
84.91152	0.5
89.03909	1.8
91.05482	1.8
91.11486	0.5
93.07034	1.5
95.01357	1.0
95.04949	1.0
95.08577	1.8
97.02893	1.3
98.20843	0.9
102.04707	2.6
103.04897	0.6
103.05476	7.2
105.07027	1.6
107.01327	3.8
107.04961	6.2
107.08572	0.9
109.02837	0.7
109.06542	0.8
109.10149	0.7
111.00805	1.7
115.05506	0.7
117.03374	1.6
119.04913	0.6
123.00790	3.2
125.02357	4.0
129.03374	3.2
130.04132	3.3
131.04938	7.3
131.08560	0.8
133.06467	0.9
135.04422	3.6
136.41789	0.5
137.02386	1.1
137.05991	5.6
138.65616	0.6
139.03932	2.8
143.03368	0.8
145.02859	11.6
146.03619	4.5
147.03346	0.5
147.04398	3.5
152.01054	1.3
153.01836	45.8
153.06943	1.0
157.02905	2.6
158.03618	3.4
159.04443	0.6
161.05994	9.8
162.06761	1.5
163.03911	19.3
163.07553	2.1
165.01782	0.6
173.02362	6.6
174.03096	1.5
175.03946	4.9
175.07529	1.9
177.05473	1.5
179.03362	0.8
181.06494	2.4
189.05469	12.5
191.03397	63.3
203.03407	23.2
209.04449	46.5
213.05490	0.6
227.07030	1.3
232.06039	2.2
237.05478	6.3
247.09868	0.8
253.04955	0.7
254.05814	0.9
255.06641	2.6
258.08926	0.8
259.05878	0.7
259.13199	0.7
265.05063	0.7
266.05869	0.9
269.08069	1.5
287.05487	1.6
287.12753	3.8
297.07642	7.3
297.11176	0.8
299.05460	0.7
315.04947	31.3
315.08606	100.0
315.12189	6.6
315.19424	1.6
316.09006	0.9
319.56949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	Eutypoid E
Peak:m/z	Relative Intensity
55.01876	9.3
55.02095	1.9
71.54572	2.2
72.72896	1.8
79.01846	5.1
79.05494	1.9
81.07052	5.2
83.08596	1.9
91.05478	5.9
95.01325	23.4
95.08647	4.1
102.04681	2.2
103.05473	5.3
105.06983	2.5
105.85349	1.6
107.01321	20.6
107.04922	1.9
107.08617	3.3
108.05692	3.0
115.05447	4.9
117.07000	3.0
119.08562	4.6
121.06484	4.1
121.10136	2.3
123.00798	36.3
125.02338	13.4
126.83113	1.7
130.04172	6.7
131.04918	15.5
131.08537	1.8
133.06447	2.9
133.22746	1.7
135.04398	1.7
140.21733	1.8
145.06483	67.6
146.07274	72.1
147.08052	11.3
151.00267	33.0
152.06192	22.8
153.07024	6.7
154.07816	4.8
159.08061	2.8
161.05983	2.0
165.06985	31.5
166.07758	7.3
167.08559	3.8
168.05736	3.3
169.01338	34.9
169.06546	2.7
169.10025	2.0
171.11775	2.0
173.05992	100.0
175.07491	2.3
178.37222	1.7
180.05727	15.6
181.06569	10.1
182.07259	17.0
183.08072	2.4
185.09634	2.8
192.05681	3.7
194.07408	1.9
195.08066	44.6
196.08757	2.2
197.09671	16.5
199.07520	2.9
208.05190	10.5
210.06754	7.8
211.07588	16.0
212.20187	4.4
213.09062	2.2
223.07532	28.0
225.09109	45.5
236.04726	9.6
237.05656	2.6
241.08565	4.8
251.07054	89.6
253.08604	45.4
263.01205	1.8
264.04272	3.7
269.08148	20.3
271.09552	9.1
279.06516	51.2
297.07568	29.8
297.12445	4.1
315.05203	2.6
315.08594	7.1
315.19766	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	315.0863
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
55.05473	0.9
57.07044	0.9
58.99567	0.6
60.04517	0.4
67.05497	1.5
69.07069	2.4
73.09659	0.3
76.02225	1.6
79.05465	0.9
81.07064	7.9
83.08588	0.8
88.02189	0.6
91.05447	0.5
93.07081	1.5
95.04964	0.5
95.08613	3.9
98.97575	0.5
99.02629	0.4
101.04252	1.5
105.06970	0.6
107.08572	1.4
109.10149	0.6
113.04234	0.4
116.01715	1.4
116.98630	0.4
119.08559	0.6
121.06508	3.2
121.10138	0.4
131.08539	0.4
133.10155	0.3
135.11649	0.7
137.13268	4.2
144.01160	0.6
145.10161	0.3
157.10065	0.3
162.02200	1.9
167.03349	1.3
169.10431	1.7
173.13235	0.4
177.03264	1.0
179.04820	1.5
186.33337	0.4
195.11899	0.4
201.41284	0.3
242.26881	0.3
243.06631	1.7
257.04440	1.5
271.06058	0.8
272.06790	40.0
273.07150	0.3
285.04111	0.4
289.95737	0.3
300.06284	51.6
310.99722	0.3
315.08624	100.0
316.08963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0503
Annotation	5-hydroxybowdichione
Peak:m/z	Relative Intensity
68.99451	0.3
68.99802	6.2
69.00175	0.3
69.03419	0.3
69.07077	0.3
70.56723	0.5
75.74810	0.2
77.51569	0.2
79.05485	0.2
81.03399	0.2
81.07076	0.2
84.98052	0.2
91.05463	0.4
103.05463	0.3
105.07025	0.3
106.99694	0.2
111.00817	5.7
115.05447	0.2
119.04945	0.7
123.04441	0.2
129.03424	0.4
131.04906	1.0
131.47546	0.2
133.02849	0.4
135.04459	0.3
137.02324	0.3
147.04433	10.9
149.02412	0.3
149.06001	1.1
152.01085	0.3
153.01842	2.7
153.93417	0.2
155.04927	0.3
157.02875	0.7
157.06520	0.5
159.04427	1.1
161.02374	0.8
161.06001	0.5
162.03171	0.9
163.03932	0.4
167.03432	0.2
167.04817	0.4
169.06389	0.3
171.04459	0.5
173.06004	0.3
175.03931	18.8
176.04408	0.2
177.05487	2.0
183.04401	0.4
185.02400	0.4
185.06000	1.1
189.01878	0.5
189.05504	1.5
191.03447	1.0
195.04498	0.3
199.03902	0.3
201.05479	0.3
203.03423	57.1
204.03734	0.2
205.04932	1.1
213.05504	2.3
217.04996	0.8
223.03992	0.3
223.06096	0.8
227.03439	0.3
231.03024	0.2
231.06631	0.8
237.05486	0.2
241.04968	1.8
245.04538	1.0
259.06033	3.1
269.04507	1.4
283.06619	0.3
287.05530	2.5
297.07544	0.3
315.05026	100.0
315.08292	4.0
316.05280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89759	0.7
55.20517	0.7
57.03436	1.6
58.66345	0.7
61.02930	1.6
69.03439	3.5
69.36974	1.3
69.37381	4.3
72.08144	1.2
73.02918	0.7
73.06561	52.1
79.05506	0.9
81.03425	1.5
85.02439	1.0
85.02914	10.2
89.06039	22.0
95.01327	0.9
97.02899	3.0
98.20721	1.5
109.02950	0.9
117.09143	5.1
121.02856	0.8
122.03210	0.7
123.04443	1.9
127.03918	1.6
135.10176	100.0
136.06232	0.8
145.05031	1.4
145.06514	1.8
147.04431	1.8
152.01663	2.5
152.07083	2.6
153.01839	0.9
161.05975	1.1
163.03970	1.1
172.79642	0.7
173.06038	1.6
178.38286	0.6
178.81792	0.7
197.06047	1.4
215.07062	2.2
219.06580	1.5
224.69566	0.6
231.06415	0.7
233.08217	1.1
243.06535	1.3
261.07532	1.2
314.12311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.8
57.07076	2.8
61.02927	3.8
69.03436	3.8
69.96945	9.4
70.06585	5.2
73.02927	3.6
84.08152	3.4
85.02907	5.2
91.05497	3.6
95.01335	35.2
95.04973	8.7
103.03960	4.0
105.07003	3.6
107.04959	7.4
115.05416	3.8
117.06993	6.9
119.04948	13.0
121.02901	4.0
121.06487	2.6
122.06081	2.6
123.03580	5.0
123.04440	75.7
131.04900	14.4
133.06500	28.0
136.07588	5.4
137.69971	2.6
141.07004	3.7
145.06494	71.7
147.04417	58.5
147.08138	3.2
149.05936	4.9
152.01683	41.7
155.06107	6.2
157.06508	13.4
159.04449	7.3
159.08029	10.7
161.05989	86.0
163.04008	3.4
164.07065	4.4
165.05510	25.9
169.06506	10.7
169.13339	2.8
171.04398	11.4
171.08067	8.9
173.06004	100.0
175.03911	7.1
175.07556	7.8
177.05481	7.3
184.05182	3.4
185.06013	23.8
187.07585	16.8
189.05478	19.8
191.07060	9.2
197.05992	46.2
199.07539	15.5
201.05470	27.4
205.05067	3.4
213.05650	3.0
215.07045	76.7
217.05020	3.7
217.08560	3.2
219.06529	67.8
231.06483	12.7
233.08110	36.2
243.06552	55.0
250.03143	3.0
258.90784	2.5
261.07605	50.7
269.42715	2.9
278.10278	3.1
279.08649	36.0
297.09714	3.2
314.13333	3.2
315.13690	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	314.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.05510	1.3
55.89861	0.8
56.96296	1.6
56.96568	26.0
57.03439	3.2
61.01155	0.9
61.02921	3.0
62.06075	2.7
65.03933	1.5
67.05540	0.8
68.05013	1.0
69.03438	8.0
69.33327	3.0
69.33750	3.1
70.06592	2.3
70.98120	2.2
71.04995	1.8
71.95270	1.8
72.08154	1.6
73.02927	1.5
74.97632	1.4
79.05466	1.6
81.03420	2.8
81.07066	4.7
84.08109	0.9
84.96021	5.7
85.02906	10.4
87.04478	1.1
89.03923	1.9
91.05485	7.9
95.05050	1.2
95.06093	28.0
97.02898	43.6
97.07634	1.9
97.96822	1.0
98.06064	1.0
98.97588	48.5
99.04443	1.2
99.97917	3.8
100.07667	1.1
101.95052	1.1
102.96928	1.1
107.04951	1.2
108.08121	17.4
108.08860	0.9
109.02871	1.8
110.97565	4.6
112.07614	1.0
112.99158	1.7
116.07130	0.9
116.98628	21.5
117.03379	1.0
117.98967	1.3
119.01855	0.8
119.04949	8.0
123.04414	1.1
123.06779	1.1
124.07621	2.7
124.99120	4.5
126.97074	1.0
127.03934	3.2
128.98596	4.7
129.02185	1.2
130.08653	1.9
130.93300	2.4
131.00183	1.8
133.01689	0.8
134.06029	2.4
134.99664	6.9
135.04442	3.8
136.06195	100.0
136.07486	3.9
136.99065	0.8
137.05997	3.0
139.03915	1.2
140.98553	1.2
143.00163	7.5
143.01697	2.1
144.00587	1.0
144.98070	0.9
145.01817	1.1
145.02856	1.9
145.04993	2.4
146.99640	2.7
147.03282	2.3
147.04404	22.1
148.04721	2.0
151.12363	2.2
152.07086	9.5
152.10712	1.2
152.98619	1.0
154.93292	2.0
155.04645	1.6
156.03351	5.4
157.01735	1.7
158.99652	4.0
159.03302	1.3
160.99181	0.8
161.01245	4.4
161.02560	2.0
162.99117	1.0
163.03908	15.8
164.05696	3.3
164.07077	1.5
167.00128	0.8
168.03368	2.5
169.01749	2.2
170.99779	1.4
172.94368	2.7
173.01285	1.7
174.04356	4.2
174.99226	1.3
175.02809	1.8
175.04286	0.9
177.00745	3.2
178.07314	1.3
179.03749	3.1
185.01233	2.6
186.04399	9.2
187.02814	2.2
188.05261	1.1
189.00761	2.6
190.95349	1.0
191.02211	1.0
193.13403	4.4
198.96054	1.1
201.00728	0.9
203.02304	1.6
204.05473	5.0
205.00063	1.1
205.03889	1.5
208.04895	1.1
211.14418	20.5
213.00702	2.8
213.04329	0.9
217.05553	0.9
217.07237	4.4
218.94916	1.1
218.98112	1.4
219.01825	3.0
223.04872	1.9
227.02071	0.8
230.98131	2.3
231.01740	2.6
232.96472	1.3
233.08798	1.0
235.02791	1.0
236.03119	2.7
237.02855	2.7
242.04178	1.2
248.99197	10.0
249.02855	3.0
251.04434	2.6
252.20724	1.6
254.04152	4.3
260.95972	0.9
266.04071	1.2
267.00226	4.7
267.03763	2.0
268.04218	1.8
269.05515	4.5
270.21756	15.2
272.04861	1.0
273.02670	1.7
282.02826	2.4
284.05035	1.9
290.94778	3.3
291.00482	1.8
291.03867	3.9
296.05215	3.9
296.08194	3.1
300.04010	1.7
309.01379	1.4
314.03732	4.0
314.06311	3.2
314.09219	7.3
314.12347	18.6
314.16483	2.5
314.20648	1.0
315.07474	2.4
332.04834	1.0
333.08594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05275	0.5
55.05517	6.4
57.03442	13.7
57.07080	42.2
58.30206	0.4
67.05184	0.6
67.05509	8.2
69.07070	8.5
70.57558	1.0
71.08636	29.8
74.91426	0.4
79.05501	0.5
80.26083	0.5
81.07063	11.1
83.04967	0.5
83.08161	0.6
83.08628	9.6
85.06548	0.8
85.10191	16.4
89.06033	2.9
91.05486	1.4
93.07034	1.0
95.08611	15.3
97.06537	0.6
97.10162	4.9
99.11720	0.7
102.63519	0.5
103.07583	1.7
109.10163	8.1
111.11731	0.8
117.09108	0.9
119.08611	0.6
121.10139	0.5
123.11706	2.5
134.04095	0.4
137.13245	1.5
139.24390	0.4
151.14793	0.6
152.66142	0.4
156.18358	0.4
165.16356	0.8
211.94157	0.5
221.22687	0.6
239.23715	3.2
257.24789	5.8
257.99377	0.5
298.27579	1.0
313.27393	100.0
313.36740	2.0
314.13998	0.5
314.27811	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04300	0.5
55.05513	6.9
57.03439	12.9
57.07078	44.3
58.07439	0.5
58.81786	0.4
67.05505	8.1
69.06729	0.6
69.07072	8.1
70.64833	1.1
71.08635	26.7
75.04484	0.5
79.05478	0.5
81.07061	11.8
83.05003	0.7
83.08624	8.4
85.06547	0.7
85.10182	15.0
89.06024	2.0
93.07053	1.1
95.08613	17.8
97.06544	0.5
97.10170	4.5
99.11716	0.9
103.07580	1.8
109.10154	8.0
111.11724	1.5
117.09161	0.7
121.10123	0.7
123.11700	4.7
125.13292	1.3
131.10727	0.5
134.09981	0.4
135.11688	0.6
137.13272	1.7
149.18045	0.5
151.14835	1.2
239.23712	4.6
257.24796	3.8
298.27472	0.5
313.27374	100.0
314.27719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1435
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
53.03944	0.5
55.01878	0.4
59.05017	0.5
65.03937	1.5
67.05500	0.6
69.03416	0.7
69.59262	2.2
71.05014	0.8
79.05498	1.3
81.03401	0.5
81.07044	1.4
85.02884	0.4
91.05486	33.1
93.03400	0.3
93.07038	0.7
94.04211	1.7
95.04967	6.5
95.08638	0.6
98.21494	0.5
99.04460	0.6
103.05471	1.7
105.04519	0.4
105.07037	2.5
107.04961	3.0
107.08595	0.6
108.05708	0.4
109.06522	2.0
109.10204	0.5
111.04441	0.6
115.05472	1.1
116.06181	0.4
117.03413	0.4
117.07038	1.4
119.04949	23.7
120.08106	1.4
121.02895	0.5
121.06519	1.0
121.10133	0.7
122.03665	4.9
123.04428	0.4
123.08061	0.8
128.06226	6.9
129.07013	20.1
131.04919	2.0
131.08566	1.0
132.05644	0.5
133.06509	1.5
133.10123	0.6
135.04396	0.4
135.08047	0.6
135.11691	0.4
136.05199	4.3
137.05981	62.8
138.06293	0.5
139.07613	0.4
141.07072	0.4
143.04936	1.0
143.08624	0.4
145.06517	2.6
146.07263	1.1
147.08105	0.9
149.06013	1.0
149.09636	0.4
151.04066	3.0
151.07549	100.0
152.07884	0.5
155.06064	1.0
155.26784	0.3
156.05728	1.9
157.06503	13.4
158.07301	0.8
160.05167	1.0
161.05977	2.6
161.09627	1.5
163.03925	0.9
163.07550	2.6
165.06995	1.7
171.82379	0.4
174.06766	11.7
175.07547	5.2
176.08350	0.5
177.09145	0.9
178.07759	4.1
179.08487	0.6
181.06512	0.8
189.09114	62.4
190.09416	0.4
191.08611	0.7
191.10674	0.6
192.09314	1.3
193.06482	0.8
193.10158	5.6
195.08070	0.7
197.06021	1.0
202.07864	1.4
203.08589	2.6
203.10342	0.5
205.06473	0.5
206.07355	1.3
207.07928	0.6
209.06061	0.6
209.09552	0.6
210.06731	1.9
210.10367	0.4
211.07520	0.9
212.08360	0.9
219.08104	0.8
220.08824	1.0
221.06105	0.8
221.09631	9.4
221.11748	0.7
222.10324	0.5
223.07567	1.0
224.08221	0.7
225.09180	1.0
231.08069	0.8
234.06731	1.0
235.07526	0.6
235.11046	0.6
237.05469	0.5
237.09154	1.0
238.06290	0.5
238.09953	1.5
239.07024	0.7
240.07910	0.5
241.08649	0.9
248.08334	0.5
249.09119	6.9
250.09911	0.6
252.07831	0.8
253.08591	1.0
253.12259	10.8
263.10672	0.9
266.09399	1.1
267.06491	0.9
267.10062	0.5
269.08102	3.3
272.10480	1.4
281.11740	7.4
284.10446	1.8
285.11377	0.7
295.13376	0.4
298.12048	0.8
313.07288	3.7
313.14346	51.4
314.14725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1071
Annotation	2',5,6-trimethoxyflavone
Peak:m/z	Relative Intensity
53.03938	0.9
55.01878	0.7
65.03963	0.8
67.05497	0.7
69.39693	3.1
76.14682	0.4
77.03920	0.6
87.58635	0.4
89.03896	0.5
90.74459	0.4
91.05493	3.0
93.03430	0.5
93.07063	0.4
95.04981	1.2
96.02084	0.5
98.20767	0.8
102.04676	0.6
102.08731	0.4
103.05466	1.5
105.04511	0.6
106.04207	0.6
107.01323	2.2
107.04996	0.4
108.02103	0.4
111.04436	1.0
115.05440	2.1
117.03374	1.1
117.07059	1.0
121.06519	6.6
124.01517	0.8
125.06008	0.9
127.18188	0.4
130.04167	2.0
131.04959	2.5
133.06502	1.1
134.03683	0.8
135.04445	0.9
139.03891	1.5
143.04993	0.5
145.02840	0.7
145.06493	18.6
146.07269	6.5
147.04407	1.0
147.08054	2.6
149.05983	0.9
151.07547	3.5
152.01059	10.8
153.01843	6.1
153.05440	0.8
161.05981	0.6
162.03137	10.2
163.03970	0.4
165.07072	0.8
167.03413	13.4
170.02083	1.4
171.08060	0.5
173.02322	1.2
173.05997	17.9
174.06772	0.8
175.74136	0.4
177.05499	8.0
179.07050	0.5
182.07298	0.6
190.02635	4.6
197.09587	0.8
199.07506	1.1
205.04974	29.0
208.03668	1.5
210.06784	0.8
223.06035	20.4
225.09151	1.5
227.07059	0.7
237.83986	0.4
238.06229	0.6
241.35341	0.4
246.07642	0.7
253.08641	3.2
285.11041	0.5
298.08408	0.9
313.10715	100.0
314.11087	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1072
Annotation	2',5,6-trimethoxyflavone
Peak:m/z	Relative Intensity
53.03933	1.0
57.47623	0.2
65.03928	0.7
67.05490	0.4
68.02650	0.3
68.99782	0.3
70.64905	0.2
71.40167	0.5
78.04681	0.4
79.05500	0.5
81.03387	0.4
83.04984	0.4
89.03925	0.4
91.05078	0.3
91.05491	3.1
93.03387	0.4
93.07037	0.3
95.04981	1.5
102.04680	1.2
103.05487	1.4
105.04508	0.7
105.53075	0.3
106.04160	0.6
107.01325	2.1
107.04939	0.6
108.05744	0.3
108.74202	0.2
110.03689	0.4
111.04425	0.8
115.05472	2.0
117.03362	0.6
117.07017	0.9
119.04915	0.6
119.08594	0.5
121.05674	0.4
121.06506	6.1
124.01554	0.8
125.06015	0.7
130.04158	2.3
131.04941	2.9
132.05675	0.5
133.06487	0.9
134.03656	0.7
135.00786	0.4
135.04404	1.1
137.02390	0.3
138.03098	0.4
139.03891	2.0
141.05380	0.3
143.04927	0.6
145.02859	0.8
145.06496	18.3
146.07277	6.5
147.04414	1.1
147.08037	3.0
149.05969	1.2
151.03835	0.3
151.07545	3.6
152.01057	9.6
153.01845	5.8
153.05447	0.7
159.04382	0.8
161.05978	0.6
162.03130	9.3
163.03886	0.3
165.06995	1.0
167.03410	14.3
170.02109	2.0
171.08026	0.5
173.02361	1.2
173.05989	18.3
174.06538	0.3
175.03900	0.3
177.05479	9.3
179.07076	0.7
182.07286	0.7
190.02606	3.2
194.07217	0.4
195.08133	0.3
197.09628	0.8
199.07529	1.0
205.04967	25.7
208.03674	1.4
210.06726	0.6
213.05492	0.4
223.06020	26.4
224.08463	0.3
225.09114	1.3
227.07030	0.9
235.07533	0.4
237.08986	0.3
238.06200	0.4
246.07561	1.6
253.08615	4.1
255.06641	0.4
259.09912	0.4
259.20734	0.3
263.07169	0.4
270.08981	0.3
281.08051	0.5
297.07690	0.4
298.08340	0.9
303.20435	0.3
313.10699	100.0
314.11069	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87331	4.9
51.26284	4.8
56.96569	58.0
61.02924	15.8
67.37827	4.4
69.03424	9.7
69.43255	9.2
69.43667	28.1
70.98112	5.3
72.96066	5.6
78.45753	4.8
81.07058	4.5
85.02911	13.7
91.05486	24.1
97.02885	6.9
98.97590	60.9
101.00957	5.1
116.98600	19.3
119.01912	6.2
119.04968	37.7
120.05304	10.3
121.02890	23.5
121.04006	5.7
124.99125	21.8
127.03950	6.5
128.98622	5.0
131.00154	6.6
134.99649	6.0
139.03882	5.7
143.00174	29.6
144.68726	4.9
144.98120	4.8
147.04419	100.0
148.04767	14.9
156.98102	8.3
158.99680	15.9
161.01277	25.3
161.02499	5.8
162.99043	6.3
163.03914	29.5
173.01326	5.6
173.02887	5.5
174.99150	14.2
175.02650	6.9
177.00723	5.8
189.00699	5.7
202.98772	8.1
219.01756	6.6
248.99223	17.6
249.02890	12.4
249.33673	5.2
267.00287	35.5
267.03894	17.0
272.00708	10.1
285.01321	6.4
285.04956	6.5
290.01974	11.8
290.05487	8.6
295.05838	24.1
313.03244	72.9
313.06769	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	313.032
Annotation	N-desmethyl-gliotoxin
Peak:m/z	Relative Intensity
55.01085	2.0
55.74238	2.2
57.94815	1.9
62.20992	1.9
62.62738	1.9
69.90826	10.6
85.32417	2.1
97.02090	2.0
189.53044	2.2
209.93530	2.7
313.03195	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05510	1.5
57.07073	1.2
57.89595	0.4
61.92695	0.4
67.05502	3.5
68.05032	0.5
69.03425	1.5
69.07077	5.8
70.06586	1.5
71.04967	0.8
77.89237	0.4
79.05489	2.7
81.07062	28.0
83.04961	0.9
83.08600	1.1
84.04484	1.1
85.02910	0.7
86.06070	6.2
91.05470	1.4
93.07069	2.7
94.02930	1.8
94.07367	0.4
95.04961	0.8
95.08614	19.4
96.04466	1.5
96.08923	0.8
97.02921	0.5
99.26830	0.5
100.03991	2.7
101.05999	1.2
101.81995	0.4
105.07006	1.1
106.06609	0.6
106.07327	0.5
107.08588	3.2
108.08122	0.5
109.06490	0.5
109.10162	2.1
110.02393	1.0
110.06026	1.1
112.03958	2.8
114.01869	0.9
119.08594	1.2
121.06513	0.9
121.10165	2.2
122.10493	0.5
123.08041	0.5
124.03965	0.6
128.03439	1.5
128.07043	0.4
133.10170	1.0
135.08055	1.2
135.11681	0.6
137.13263	32.1
140.03406	3.4
145.10146	0.8
148.12111	0.5
149.09618	0.6
149.13239	0.5
150.12804	0.9
156.02895	1.0
158.04506	3.9
159.11691	0.6
164.14352	1.7
166.15933	0.8
170.04489	0.9
173.13185	1.0
174.03960	0.5
174.12865	0.5
176.05519	1.8
176.14392	0.5
177.12741	1.3
188.14377	0.7
190.15921	1.0
191.14360	5.3
192.13841	0.7
206.11757	0.6
206.15425	3.2
223.11453	0.5
232.17007	2.0
234.14998	1.1
236.12787	1.3
238.10754	1.2
238.14404	0.7
250.18037	43.3
251.18344	0.5
266.17538	0.5
294.17014	12.9
312.18057	100.0
313.18463	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1808
Annotation	Phomaligin A
Peak:m/z	Relative Intensity
51.02354	0.3
53.03944	0.5
55.05518	1.7
57.07074	1.9
60.74979	0.3
63.05532	0.3
66.76782	0.4
67.05512	5.2
68.05026	0.6
69.03430	1.6
69.07074	6.4
70.06616	0.7
70.87300	0.8
71.08637	0.5
79.05497	3.3
81.07061	52.4
82.06594	0.4
82.07396	0.4
83.08650	0.4
84.04504	1.2
85.02915	1.3
86.33669	0.4
87.04464	0.5
89.21842	0.3
91.05466	0.4
93.07060	2.2
94.02916	2.0
95.08613	33.0
96.00809	0.4
96.04524	2.9
97.02922	0.8
102.01898	0.7
105.07053	0.7
107.04961	0.4
107.08595	0.6
108.08130	0.7
109.10168	3.0
110.02402	2.4
112.03950	1.8
114.01888	2.8
114.05546	1.1
115.03919	0.6
121.10133	0.9
122.02338	0.4
124.03992	0.8
126.05489	0.4
128.03442	6.1
133.04979	0.8
137.13264	48.3
140.03427	8.3
152.03432	0.7
157.89986	0.4
158.04504	10.5
164.14378	2.1
166.15895	0.4
170.04581	0.4
176.05557	6.6
182.08148	0.4
183.69873	0.4
188.05518	1.7
192.13878	0.5
194.15321	0.6
196.09616	0.7
210.14972	0.4
216.41153	0.4
220.13412	0.4
224.16583	1.8
232.16563	0.4
238.12332	0.4
238.14351	2.6
252.15973	2.5
256.11826	1.2
266.17569	1.4
284.18710	2.8
312.18060	100.0
313.18362	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.3
57.03443	0.8
57.07088	2.5
64.82571	0.3
67.05513	6.4
68.05042	0.5
68.05850	0.4
69.03428	1.5
69.06731	0.5
69.07074	7.0
70.06590	0.7
70.41070	0.7
71.04970	0.4
71.08652	0.4
74.90313	0.3
79.05503	3.0
79.11537	0.3
80.04993	0.7
81.07065	54.2
82.07383	0.8
83.08626	0.8
84.04521	1.8
85.02927	1.6
86.06113	0.4
93.07048	1.4
94.02945	2.0
95.08617	32.3
96.00876	0.7
96.04490	2.8
96.08932	0.5
97.02902	0.7
102.01914	0.8
105.07027	0.9
107.08634	0.5
109.10175	2.1
110.02432	2.5
112.03978	1.2
112.77943	0.4
114.01890	3.1
114.05544	0.8
121.10188	0.5
123.11742	0.7
124.03979	1.1
126.05601	0.4
128.03453	5.8
135.11687	0.7
137.13271	53.2
138.05530	0.6
140.03448	9.0
142.04991	0.3
150.12851	0.3
152.03455	0.6
158.04506	10.8
164.14404	1.5
170.04585	0.8
176.05565	7.3
178.08690	0.4
182.08159	0.9
188.05492	1.8
192.13885	0.5
203.69930	0.3
206.15393	0.5
210.14879	0.6
224.16493	1.6
229.14923	0.4
238.14381	3.7
252.15909	2.5
256.11853	1.1
266.17578	1.8
268.19131	0.4
268.21753	0.7
272.56470	0.4
284.18558	2.7
294.17209	0.5
302.79492	0.4
312.18076	100.0
313.18262	0.8
316.92715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1806
Annotation	Phomaligin A
Peak:m/z	Relative Intensity
53.03936	0.3
54.41941	0.2
55.05510	1.4
55.08941	0.3
57.03442	0.4
57.07076	2.1
58.02969	0.3
67.05506	4.6
69.03432	1.1
69.07071	5.0
69.53374	0.9
69.53808	0.9
70.06604	0.4
72.04510	0.8
78.70562	0.2
79.05497	2.5
81.07060	53.9
82.02927	0.3
82.07407	0.3
83.08611	1.3
84.00871	0.3
84.04513	1.6
85.02905	1.3
85.75357	0.2
86.06081	0.3
93.07052	1.2
94.02938	2.0
95.04898	0.3
95.08613	33.8
96.00864	0.4
96.04501	2.5
96.08965	0.5
97.10185	0.4
98.06059	0.3
100.43723	0.3
102.01910	0.7
107.08616	0.7
108.08137	0.8
109.10166	2.6
110.02419	3.0
110.06068	0.5
111.11687	0.3
112.03973	1.5
113.02393	0.4
114.01891	3.1
114.05547	0.7
122.02401	0.6
123.11705	0.4
124.03963	1.0
126.05581	0.4
128.03458	4.9
130.05020	0.7
137.13263	50.5
138.13681	0.5
140.03436	7.8
141.65102	0.2
142.05064	0.3
152.03441	0.7
154.04982	0.4
156.02939	0.8
158.04495	10.8
164.14369	1.5
166.15900	0.3
170.04506	0.6
174.04031	1.2
176.05554	6.7
178.08643	0.3
182.08134	0.7
188.05573	2.2
192.13870	0.6
194.15324	0.5
196.09703	0.6
206.15324	0.3
210.14807	0.3
220.13353	0.6
224.16467	3.8
231.49426	0.3
238.14372	2.8
248.16562	0.3
250.18040	0.5
252.15952	3.4
256.11850	0.7
266.17474	2.2
272.24478	0.3
284.18597	3.6
294.17133	0.5
312.18060	100.0
313.18527	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1302
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
55.01876	0.4
57.03415	0.5
69.03404	0.5
69.07059	1.9
69.62878	1.6
70.06596	0.7
70.92496	0.2
71.06125	0.3
73.02921	0.5
73.06561	0.5
82.06562	0.4
85.02901	1.0
91.05468	0.3
97.02899	0.3
97.06525	0.7
98.97556	0.4
100.99975	0.3
110.03528	4.7
115.03931	0.3
115.07572	4.0
122.70258	0.3
128.04601	0.4
131.04921	0.3
132.04396	0.3
133.08612	1.5
135.03001	1.2
137.08244	1.8
145.04947	0.3
147.04416	0.8
148.04680	0.4
153.04060	1.4
162.05504	0.7
162.07738	0.5
163.03886	0.4
165.06465	0.5
165.31299	0.3
175.06258	0.4
180.08809	100.0
181.09128	0.4
204.10167	1.2
250.10748	1.2
285.05237	0.3
294.13379	0.8
312.11084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01862	2.7
55.05498	0.8
56.96526	0.8
57.03439	4.5
60.46272	0.8
61.02931	11.3
69.03090	0.9
69.03437	14.4
69.07078	12.0
71.04982	2.7
71.53958	1.0
73.02908	4.5
73.06602	1.1
81.03418	7.8
85.02908	100.0
87.04449	2.8
87.08108	16.1
91.03970	7.2
91.05466	0.9
97.02296	1.4
97.02896	24.7
99.04466	3.9
105.09135	2.7
108.77252	0.8
109.02886	8.8
115.03912	2.2
115.07551	1.9
127.03921	27.1
133.08627	7.1
136.07593	1.0
145.04964	53.2
147.04314	1.0
163.06017	17.4
180.08662	0.9
182.99651	0.7
204.10120	1.7
242.38855	0.9
250.10674	2.4
301.70386	0.9
325.19043	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.7
55.01859	3.3
55.05510	2.7
56.96570	24.4
57.03461	10.9
59.05022	4.0
59.33350	2.0
61.02932	11.5
67.05502	2.5
69.03086	2.6
69.03439	35.0
69.07084	4.6
70.06604	4.1
70.98123	1.8
71.04998	6.1
71.53165	3.1
73.02928	11.7
81.03434	22.7
81.07046	3.9
84.08141	3.3
84.96043	3.2
85.02917	100.0
86.09728	1.9
87.04481	33.6
88.03974	4.5
91.03957	6.4
91.05492	6.6
94.91609	1.9
95.06133	2.6
97.02908	28.6
97.06532	5.7
98.06091	5.3
98.97598	29.2
99.04456	10.5
106.74234	2.1
107.04959	4.2
109.02903	20.4
110.04962	1.8
110.97604	4.3
111.05584	7.2
112.99117	2.8
115.03945	98.7
115.07586	23.9
116.98658	13.7
119.04964	9.0
121.02889	2.9
122.34330	2.2
124.99088	4.6
127.03941	47.2
128.02338	2.9
128.98627	3.9
132.05608	11.0
133.04979	51.0
133.08609	6.2
134.99664	2.4
135.04430	2.6
137.05991	4.7
139.03925	6.8
140.07095	9.9
143.00220	12.5
145.04987	69.5
147.04425	23.5
150.06628	5.8
150.07750	7.9
157.01785	2.2
158.99675	6.7
159.03336	6.4
161.01263	6.8
161.07144	6.1
162.07480	12.4
163.03941	9.3
163.06041	6.0
170.99728	3.9
174.07529	2.6
177.00674	4.3
180.08743	4.3
183.63882	2.0
185.01239	4.5
189.00774	2.7
191.03870	2.1
202.10570	2.6
203.02298	3.4
204.05502	2.1
209.12987	4.8
219.01851	4.5
223.04353	4.2
237.02829	3.1
246.09593	5.3
249.02866	9.7
258.09698	7.2
259.08167	15.0
267.03940	9.7
268.20270	5.5
272.04425	2.6
276.10651	2.4
277.09341	20.4
285.04990	5.6
288.95386	2.5
290.05280	4.1
294.05707	3.8
303.07529	4.9
312.07217	13.6
312.11649	2.7
321.08603	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	311.2946
Annotation	labd-13-en-8alpha-,15 diol
Peak:m/z	Relative Intensity
53.03944	1.9
54.73027	1.4
55.01863	1.6
55.05512	39.0
57.03427	1.9
57.07079	17.1
59.04987	2.7
67.05505	33.2
69.03437	4.4
69.07072	100.0
70.64846	4.0
71.05003	2.9
71.08640	6.4
73.06568	2.0
79.05493	14.7
81.07060	97.0
83.05003	1.8
83.08150	3.0
83.08623	42.0
84.10096	1.7
85.06553	17.1
85.10196	3.1
87.08098	1.5
91.05492	6.8
93.07047	27.6
94.15447	1.6
95.08612	86.9
97.06538	5.5
97.10175	33.9
99.08099	14.6
100.11270	3.5
105.07035	3.6
107.08600	27.4
109.10164	62.6
109.22965	1.8
111.08108	6.5
111.11722	19.5
113.09617	2.7
119.08601	2.8
121.10161	16.1
123.11712	33.1
125.09640	5.4
125.13293	3.7
127.11240	2.2
131.08553	3.6
133.10138	2.3
135.11694	11.3
137.05930	1.8
137.13264	15.9
139.11185	7.0
147.11678	3.3
149.13287	16.8
151.14810	14.7
153.12772	8.7
159.11647	1.8
163.14850	7.3
165.16434	5.6
167.08510	1.5
167.14336	2.5
177.16405	3.8
179.17972	1.8
191.18019	2.2
193.19727	1.7
195.17601	1.4
196.14108	1.7
209.11595	2.8
219.21059	2.0
232.26312	1.6
237.18385	2.5
247.24080	1.8
265.25217	4.2
275.23859	2.2
275.27350	5.5
281.28281	1.8
293.24838	8.6
293.28455	12.8
311.05460	2.0
311.16202	2.0
311.26144	4.6
311.29471	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	311.2945
Annotation	labd-13-en-8alpha-,15 diol
Peak:m/z	Relative Intensity
53.03921	1.6
55.01870	3.1
55.05515	35.1
57.03419	1.4
57.07076	14.8
59.04993	3.8
60.97776	1.3
67.05508	22.2
69.03427	2.9
69.07071	100.0
70.11737	5.1
71.04983	2.5
71.08645	6.8
79.05507	12.5
81.03423	1.4
81.07060	77.1
83.05002	1.3
83.08156	1.8
83.08626	34.6
85.06553	16.3
85.10172	2.4
91.05463	4.4
93.07055	19.6
93.30109	1.1
95.04974	1.4
95.08613	85.0
97.02905	1.3
97.06523	4.5
97.10176	22.2
98.21425	1.4
99.08108	9.2
100.11260	6.1
105.07041	5.9
107.08580	15.8
109.10159	43.8
111.04392	1.4
111.08079	4.3
111.11720	19.6
113.09630	2.3
119.08587	6.2
121.10146	18.0
123.04449	1.3
123.11714	24.5
125.09666	2.7
125.13264	3.6
127.11203	2.1
129.30220	1.3
131.08592	3.2
133.10130	4.8
135.04442	1.3
135.11699	11.8
137.13237	11.9
139.11215	5.8
139.14787	1.8
143.08568	1.7
145.10110	4.0
147.11691	22.2
149.13280	10.9
151.03915	7.2
151.14839	7.3
161.13272	2.5
163.14857	6.2
165.05513	2.7
165.16423	4.3
167.14301	3.0
168.13840	1.6
177.16367	3.9
179.17905	3.1
181.15839	1.3
182.15384	2.1
182.96935	1.4
184.17012	1.3
189.05472	2.6
191.07103	2.3
191.17868	1.9
195.08577	1.4
195.94684	1.2
199.18126	1.5
205.19556	2.2
209.11629	1.5
215.07008	3.7
217.08582	3.5
223.20605	2.7
229.08411	1.5
249.25484	1.4
255.10063	1.9
270.09991	1.8
275.27295	4.9
293.21457	1.3
293.24960	2.7
293.28369	13.3
311.12778	2.5
311.16412	43.4
311.29437	64.8
312.16928	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03932	1.1
55.01867	1.3
55.05514	41.1
57.03442	13.0
57.07078	19.1
59.05001	0.5
67.05511	6.7
69.07069	43.5
70.53951	1.6
71.08631	11.2
72.06313	0.6
73.02921	1.0
73.06523	0.6
79.05489	4.5
81.07060	7.2
83.04962	1.6
83.08622	37.2
85.10181	4.9
86.95299	0.5
87.99230	0.5
93.07035	5.6
95.08607	6.1
97.06554	4.4
97.10172	28.2
98.20870	0.6
107.08584	3.5
109.10153	2.4
111.08078	1.6
111.11728	8.6
120.44716	0.5
121.10167	4.6
123.11659	1.4
125.09632	1.5
125.13247	2.0
131.31274	0.5
134.71893	0.5
135.11700	4.2
139.11169	1.1
149.13266	1.7
153.12788	1.3
163.14841	1.1
209.11700	1.2
219.21115	0.9
237.11092	1.1
237.22136	0.7
311.25806	100.0
312.26086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.01876	3.6
55.05508	22.8
57.03425	3.2
57.07066	9.1
57.17414	3.0
67.05507	38.1
67.89137	3.0
69.07074	49.9
71.04955	3.6
71.08629	3.2
71.24497	3.7
79.05500	25.2
81.03432	6.3
81.07059	42.0
83.08623	12.0
91.05487	42.2
93.07050	100.0
95.04973	56.5
95.08617	94.6
95.09074	2.2
97.06539	27.6
97.10173	10.5
103.05489	5.0
105.07034	62.6
107.04919	2.7
107.08601	51.4
109.06528	13.7
109.10156	32.5
110.27460	3.1
111.04469	4.6
111.11724	4.0
117.07033	16.8
119.08580	67.5
121.06496	17.1
121.10152	54.1
123.08088	22.4
123.11712	13.8
129.07028	4.4
130.07739	3.4
131.08551	21.8
133.10130	30.8
135.04442	12.0
135.08069	12.7
135.11725	16.0
137.09633	4.7
142.07765	6.2
143.08597	13.1
145.10121	36.6
147.11720	19.5
149.13258	5.9
155.08661	4.9
157.10114	30.1
159.08009	3.9
159.11690	42.9
161.09631	13.9
161.13289	8.8
163.11169	6.3
169.10211	6.7
171.11710	15.3
173.13242	7.7
175.14839	11.4
177.16406	15.7
183.11699	6.6
185.13309	8.0
187.11237	7.1
187.14780	6.9
189.16443	12.5
193.10147	4.6
195.11655	4.0
197.13329	8.6
199.14821	8.1
201.16342	9.2
203.18027	8.8
209.11688	7.8
209.13408	6.3
211.14848	8.4
213.16519	5.3
215.17990	8.2
219.17485	5.7
223.14787	6.8
237.11150	7.0
237.16412	6.8
255.12416	4.1
255.21194	3.9
267.21085	3.7
293.22800	5.2
311.16290	3.9
311.23273	29.9
311.31412	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	311.0914
Annotation	Ocophyllal A
Peak:m/z	Relative Intensity
51.22207	0.2
53.03935	0.2
55.05508	0.5
67.05495	1.0
69.03416	0.4
69.07057	0.7
69.58995	0.4
69.59408	1.1
71.04967	0.3
77.70300	0.2
79.05492	1.0
81.03411	0.4
81.07066	1.5
81.14762	0.2
82.07394	0.3
83.04955	0.3
83.08615	0.3
85.06535	0.3
91.05486	2.4
93.07062	2.1
95.04959	0.3
95.08608	1.3
97.02912	0.2
97.06512	0.3
98.97589	0.3
99.04415	0.2
102.04691	2.1
105.07026	0.8
107.05003	0.3
107.08607	1.0
108.08170	0.3
109.06503	0.3
109.10143	0.9
111.08048	0.3
115.05476	1.3
116.06252	0.3
117.07001	0.3
119.08582	0.8
121.10175	1.8
123.00734	0.2
123.11728	0.5
130.04160	2.6
131.08545	0.4
133.10153	0.4
135.04411	0.8
135.11676	0.5
137.05942	0.3
137.09659	0.5
137.13237	0.3
145.06482	100.0
146.06851	0.7
147.11707	0.4
149.09633	1.0
150.12796	0.6
152.06233	0.3
159.11635	0.2
160.32979	0.2
161.09538	0.3
169.06392	0.5
173.05934	0.3
194.07133	0.3
195.08125	0.7
197.05981	0.5
208.05104	0.4
209.11690	0.3
211.07613	0.3
212.08336	0.4
223.07599	0.6
224.08168	0.5
225.05464	0.6
236.04671	0.5
237.05493	0.7
240.07806	0.7
250.06371	0.3
251.07053	4.8
253.04979	4.3
264.04282	0.2
265.04877	0.7
265.08575	0.3
267.06531	0.5
267.21494	2.0
268.07312	2.1
275.20139	0.4
279.06500	4.0
280.07248	0.9
281.04456	7.0
283.06345	0.4
283.09698	1.2
295.06000	0.7
296.04211	0.4
296.06787	18.2
311.09134	85.1
311.24100	1.5
312.09512	0.7
312.17969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.9
67.05485	2.5
69.07065	1.7
70.06602	9.2
71.54244	1.0
79.05476	2.5
79.14999	0.6
81.07066	3.9
83.07353	2.1
91.05477	2.7
93.07045	2.9
95.04952	0.6
95.08602	1.5
96.08095	1.2
96.18822	0.5
103.24924	0.6
105.07033	4.3
107.08571	2.1
108.08134	1.2
109.08871	0.7
117.07024	1.9
119.08561	3.8
120.08154	1.0
122.09666	8.6
128.06256	0.8
129.07013	8.4
131.08577	4.3
133.10138	1.5
136.11205	1.8
137.11987	2.5
141.06990	0.9
142.07768	1.4
143.08572	6.0
144.09315	0.7
145.10133	2.8
146.09669	0.8
147.11642	1.5
148.11191	1.3
155.08553	0.9
157.10117	7.4
160.11064	0.8
169.10118	1.2
170.09669	1.4
170.10938	0.9
171.11699	2.6
172.11171	1.4
173.13264	5.1
174.12764	2.6
183.11716	0.7
185.13309	1.6
186.12770	5.9
187.13519	0.7
188.14323	0.7
196.09206	0.6
198.12654	0.9
199.14804	1.8
212.14293	2.5
224.11845	0.7
224.14340	1.9
226.15959	3.8
228.17413	1.1
238.15913	1.4
240.17569	3.6
241.18114	1.4
242.19014	0.7
252.17479	2.5
254.19008	2.0
266.19031	1.9
280.20633	1.7
281.21494	0.8
310.25284	100.0
311.25418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.253
Annotation	Holaromine
Peak:m/z	Relative Intensity
55.05501	1.7
67.05519	2.3
69.07053	1.8
70.06595	4.8
71.54197	0.5
75.57191	0.4
79.05497	3.7
81.07059	2.9
91.05481	4.5
93.06585	0.4
93.07065	4.2
94.06566	0.5
95.08585	1.4
96.08147	2.6
96.37541	0.4
97.10091	0.4
97.26611	0.5
105.07034	4.2
107.08589	1.9
108.08152	0.6
109.08894	0.4
115.05403	0.4
117.07034	2.3
118.06533	0.6
119.08586	4.5
120.08100	1.7
121.10150	0.6
122.09669	5.5
128.06270	0.8
129.07004	5.3
130.07765	0.9
131.08586	5.7
133.10170	2.2
134.09625	0.9
135.10397	0.6
136.11227	1.4
137.11983	1.6
141.06998	0.6
142.07748	1.1
143.08574	4.3
144.09329	0.9
145.10129	4.4
146.09642	2.4
147.11685	0.5
148.11214	1.0
149.13251	0.8
150.12753	0.7
155.08553	0.7
157.08905	0.7
157.10083	4.2
158.09680	1.0
158.10876	0.6
159.11713	0.7
160.11197	0.8
161.13264	1.7
162.12747	1.1
169.10161	0.7
170.09671	0.8
171.10301	0.6
171.11696	1.2
172.11212	1.1
173.11954	0.6
173.13275	4.7
174.12802	3.4
175.14767	0.4
183.11792	0.6
184.11235	0.6
185.11894	0.5
185.13280	1.3
186.12781	6.2
187.13496	0.9
188.14362	1.2
197.13286	0.6
198.12784	1.6
199.14885	0.7
200.14343	1.2
209.11742	1.5
212.14296	2.6
214.15964	0.7
224.14413	1.2
226.15942	2.9
227.17899	0.7
228.17563	1.8
229.18335	0.5
237.11270	0.6
238.15973	1.6
240.17543	4.0
241.18233	0.7
252.17508	2.5
254.19028	2.8
256.83777	0.4
266.19125	1.2
280.20679	3.2
281.21408	1.0
308.23651	0.9
310.25290	100.0
311.25412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77134	0.6
53.03946	1.0
53.70903	0.7
55.01877	0.8
56.96572	0.9
57.03428	2.5
57.07082	5.0
61.02931	5.6
62.56765	0.6
67.05511	9.2
67.67075	0.6
69.03429	6.1
69.07046	1.1
70.73498	0.9
71.04993	6.6
73.02904	2.0
74.06084	0.6
76.82484	0.6
79.63354	0.5
81.03416	2.8
85.02909	36.6
85.06556	4.8
87.04469	1.1
91.03960	2.9
95.04973	14.4
97.02901	8.2
99.04441	2.0
104.94005	0.7
107.04936	0.8
109.02895	3.3
109.07690	0.8
113.06013	37.6
115.03961	0.7
127.03931	8.0
131.07051	100.0
139.02930	1.2
139.03909	11.2
140.04260	12.2
141.04376	8.9
142.04665	7.2
145.04965	16.8
152.04280	0.7
160.04790	0.8
163.03903	1.5
163.06055	5.2
164.04289	1.2
165.04420	0.9
166.04750	1.3
183.05672	1.1
184.05736	0.7
201.04134	1.2
293.12378	2.6
310.17798	1.6
317.03177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22966	4.1
55.05516	32.9
55.09930	3.9
57.07087	35.6
61.60080	4.4
67.05508	35.5
69.07072	70.7
70.80958	11.0
71.08640	31.6
79.05502	5.6
81.07068	66.6
83.08624	52.9
85.06541	15.8
85.10170	14.1
89.10428	3.9
95.08617	100.0
95.23174	4.0
97.10168	34.7
109.10169	44.3
111.11719	29.4
113.09647	5.4
123.11733	25.5
125.13274	12.0
132.37904	4.5
137.13240	15.4
151.14807	8.8
171.41722	4.3
291.35635	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	310.1497
Annotation	4-O-beta-D-Glucopyranosylfagomine
Peak:m/z	Relative Intensity
50.59426	0.8
53.03940	1.8
55.01868	1.3
55.75290	0.8
56.09886	0.8
57.03430	3.7
57.07073	4.5
59.04997	1.0
59.82510	0.9
60.04519	1.6
61.02919	3.8
67.05531	0.8
67.05944	0.8
69.03435	11.8
69.07080	6.6
70.02940	2.3
71.04980	1.6
71.52367	0.9
73.02906	1.0
73.06554	1.8
74.02450	7.6
81.03415	2.8
81.07072	1.0
85.02910	33.7
86.09724	1.9
88.03993	1.3
91.03995	1.1
91.50183	0.8
93.10047	0.8
95.08602	2.3
97.02901	7.8
99.04422	1.8
102.09187	100.0
109.02863	2.7
113.05992	2.0
113.09661	9.0
127.03918	6.1
131.07045	2.9
131.10684	3.4
134.92337	1.1
139.03909	1.8
145.04950	3.5
147.04433	2.1
148.09692	67.9
163.03885	1.6
186.74046	0.9
202.10759	2.2
236.54576	0.9
246.13454	1.2
275.13559	1.1
292.13913	3.4
310.11652	1.6
310.15039	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.279
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03932	2.9
55.01855	1.4
55.05275	1.8
55.05515	26.4
56.96573	1.3
57.03430	2.5
57.06837	1.6
57.07082	16.1
58.10784	1.3
59.04993	1.8
59.73061	1.1
65.03951	1.0
67.05508	32.1
69.03421	2.7
69.07075	59.1
69.78529	2.3
69.78919	2.5
71.04996	6.2
71.08615	5.6
76.23933	1.0
79.05500	18.1
79.06239	1.1
81.03392	1.3
81.07063	100.0
83.04987	5.9
83.08627	25.6
85.06541	6.8
85.10176	1.6
91.05477	11.3
93.06485	1.9
93.07049	34.1
95.04964	6.1
95.08615	77.4
97.06534	8.6
97.10175	17.1
98.20855	1.3
98.97593	4.0
99.08086	3.9
105.07041	15.5
107.08603	28.6
109.06516	2.6
109.10162	44.4
111.08099	10.6
111.11735	11.4
113.09660	2.2
117.07050	1.0
119.08602	15.8
121.10155	23.3
123.08065	4.4
123.11719	60.9
125.09634	4.0
125.13294	3.0
129.07005	1.1
129.12784	1.3
131.08592	1.6
133.10147	12.4
135.08040	1.4
135.11700	16.6
137.09601	4.1
137.13254	10.1
139.11201	4.4
143.08575	1.5
147.04353	2.2
147.11705	13.7
149.13269	20.2
151.11238	1.6
151.14818	2.3
153.12750	7.2
155.10657	1.9
161.13286	6.9
163.14825	9.0
165.12735	3.9
165.16380	2.7
167.14337	2.6
171.11514	1.3
173.13173	1.3
175.14830	5.2
177.16393	4.8
179.14247	1.7
189.16415	1.9
191.17928	2.2
193.15802	2.0
193.19479	1.3
203.17969	3.6
217.19554	3.2
235.81059	1.2
273.02786	2.6
273.25665	10.3
291.23215	3.0
291.26822	13.6
297.51596	1.1
309.20721	2.9
309.24374	4.3
309.27856	24.9
324.90646	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2788
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
55.01895	5.4
55.05514	32.5
57.03445	1.9
57.07078	18.4
59.04755	1.2
59.05000	17.0
67.05508	29.1
69.03421	4.4
69.07070	94.8
71.04996	9.1
71.08642	7.0
71.53683	1.3
71.54056	1.4
73.06537	3.4
79.05497	12.6
79.82124	1.2
81.03385	2.1
81.07059	100.0
83.04977	3.5
83.08622	36.7
84.04501	1.4
85.02914	6.5
85.06544	13.8
85.10186	2.6
89.06049	1.3
91.05478	9.0
93.07050	37.8
94.10626	1.2
95.04961	4.5
95.08609	79.9
97.02920	1.1
97.06518	12.4
97.10176	12.2
99.08111	6.1
101.05996	1.4
105.04449	1.0
105.07044	14.6
107.08598	33.8
109.06509	4.6
109.10158	42.6
111.07369	2.3
111.08080	24.0
111.11713	12.0
113.09628	2.6
117.09134	3.2
119.07903	1.3
119.08602	11.9
121.09328	1.7
121.10151	22.9
123.08053	2.4
123.10831	2.0
123.11712	39.4
125.09628	3.7
125.13264	5.3
127.03877	1.2
127.11219	1.4
131.08524	2.2
132.28564	1.3
133.10149	7.6
135.11691	19.7
137.09543	2.3
137.13266	16.1
139.11201	6.7
143.14342	1.5
145.10120	1.5
147.04379	3.7
147.11691	9.1
149.13271	20.6
151.11177	3.5
151.14809	3.1
153.12772	11.5
155.00989	1.2
159.11685	2.5
161.13245	9.0
163.14856	10.8
165.12779	9.5
165.16386	2.1
167.14339	1.9
171.13672	1.3
175.14790	4.2
177.16394	6.7
179.14264	3.5
179.17868	1.5
189.16394	2.5
191.17981	3.5
193.15965	2.7
193.19566	1.5
203.17955	3.5
209.19003	2.0
217.19475	4.4
231.13857	2.8
247.24226	1.5
268.45331	1.2
273.18604	1.7
273.25812	7.7
279.26895	2.9
291.19696	1.7
291.23477	1.9
291.26813	26.9
309.07602	1.5
309.10757	1.5
309.24487	2.0
309.27847	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2789
Annotation	Viteagnusin D
Peak:m/z	Relative Intensity
50.34038	1.5
53.03943	3.8
53.90908	1.2
55.01888	1.7
55.05511	29.4
57.03442	1.6
57.07078	26.2
61.02929	1.8
64.11095	1.3
67.05180	2.3
67.05510	39.4
69.03441	1.4
69.07071	54.0
70.09073	5.8
71.04999	3.6
71.08638	19.2
71.27098	1.7
73.78692	1.4
79.05499	24.0
81.07060	95.2
83.04993	2.2
83.08623	32.8
85.06535	2.1
85.10177	6.1
91.05487	12.8
93.07041	38.3
95.04998	2.7
95.08610	100.0
96.06483	1.3
97.06545	3.5
97.10178	31.5
98.21452	1.4
105.07037	23.4
107.08601	34.6
109.06507	3.5
109.10164	52.3
111.08081	5.3
111.11732	10.8
119.08588	17.4
121.10148	29.6
123.08088	4.4
123.11703	28.8
125.09657	5.3
125.13251	8.6
127.07566	2.3
131.08591	1.8
133.10146	13.4
133.11160	1.9
135.11700	28.6
137.09592	3.6
137.13261	24.5
139.11206	5.8
143.10683	7.8
147.11687	17.2
149.13274	22.4
151.11211	2.7
151.14818	7.5
153.12746	4.7
155.10640	1.8
161.13269	12.3
162.30905	1.3
163.14796	11.8
165.12755	6.5
165.16386	3.7
167.14299	2.0
171.10260	1.9
175.14822	4.2
177.16403	5.5
179.17973	2.4
183.67041	1.5
189.16434	5.1
191.17929	5.1
192.97679	1.3
193.19563	1.9
203.17952	5.6
203.39024	1.6
205.19556	1.5
217.19525	7.2
247.24254	1.9
273.25775	25.6
291.26767	18.8
309.24261	5.3
309.27872	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	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03943	1.1
55.01876	4.8
55.05516	28.5
55.05785	1.4
57.03436	6.2
57.07081	12.3
59.05015	5.8
64.71547	0.8
65.03934	1.3
67.05510	33.3
69.03434	4.4
69.07074	100.0
69.41870	6.4
70.07411	1.5
71.04996	4.7
71.08645	5.2
73.06567	4.7
79.05499	14.0
81.07064	88.4
83.04980	4.0
83.08629	27.0
85.02908	2.6
85.06549	22.7
85.10179	2.0
91.05473	8.1
93.07053	36.9
93.07645	1.8
95.04967	3.6
95.08614	89.6
97.06538	12.2
97.10175	9.0
98.21535	1.5
98.98471	1.3
99.08095	7.5
101.06033	1.6
105.07031	8.3
107.08606	43.6
109.06518	2.8
109.10165	40.1
111.08094	34.7
111.11729	23.7
113.09657	1.7
115.07562	2.2
119.08587	6.0
121.10158	20.7
123.08117	1.3
123.11721	42.5
125.09615	7.5
125.13276	3.9
127.11180	2.0
129.12752	1.4
131.08583	1.0
133.10123	4.9
135.11697	25.8
137.13257	10.5
139.11171	6.4
147.04431	2.3
147.11720	4.6
149.13275	28.7
151.11179	1.2
151.14792	3.4
153.12758	27.8
161.13258	2.9
163.14851	7.7
165.12845	2.5
165.16490	1.3
167.14357	10.2
171.13814	2.0
175.14828	2.6
177.16451	1.9
179.14342	1.0
181.15868	0.9
191.17955	1.4
203.17978	2.7
217.19650	1.6
217.22945	0.9
219.20995	1.1
221.18861	1.1
235.20578	1.3
237.10049	0.9
244.95831	1.0
265.25360	1.1
266.21262	1.4
273.25769	3.1
291.19611	1.2
291.26874	14.6
302.07724	0.9
303.91083	0.9
309.27878	62.0
310.23581	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	4.0
54.18373	1.4
55.01875	4.1
55.05310	1.4
55.05515	14.8
57.03438	5.1
57.07071	2.9
57.36776	1.7
58.44896	1.7
59.04981	2.7
67.05508	40.8
69.07067	15.3
70.46644	4.4
70.46992	2.8
71.04998	3.4
71.08640	43.2
79.05068	3.3
79.05498	42.9
81.03413	7.7
81.06588	3.0
81.07058	50.3
83.04994	12.9
83.08624	9.5
85.06549	3.2
91.05488	22.1
93.07049	56.8
95.04979	11.5
95.08614	36.7
97.06538	8.2
97.10153	3.1
99.08099	43.2
105.07044	20.2
107.04955	6.9
107.08609	30.3
109.06506	3.4
109.10175	13.0
111.08084	3.7
113.09637	3.4
117.07055	4.3
119.08566	14.3
121.10155	31.8
123.04398	2.3
123.08073	2.0
123.11718	2.2
129.06992	2.1
130.05580	1.7
131.08545	5.6
133.10143	10.8
135.11700	29.4
137.09647	4.7
139.11192	2.3
141.09163	2.7
143.08566	3.2
145.10156	5.8
147.11713	6.9
149.13281	10.4
151.11197	16.9
153.12741	4.6
155.99153	1.7
157.10263	1.7
159.11705	3.5
161.13277	12.4
163.11203	7.0
163.14851	2.9
167.10666	3.5
171.11786	3.0
177.12746	3.6
179.14325	100.0
185.13287	2.4
189.12749	4.0
195.13875	2.6
221.15347	2.6
235.16960	4.8
241.19452	2.8
257.28622	1.8
259.20560	4.7
277.21634	58.0
291.23206	2.5
309.17191	2.7
309.24252	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	309.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95832	2.2
53.03938	6.3
53.30830	2.1
55.01878	3.1
55.05518	12.6
57.03431	8.1
57.07077	5.0
59.04992	2.1
65.03931	2.3
67.05509	29.6
69.03407	3.2
69.07074	17.3
70.86992	5.3
73.91463	2.2
79.05489	36.7
81.03415	4.7
81.07059	48.4
83.08611	3.8
91.05486	40.4
93.07047	85.0
95.04969	57.7
95.08611	43.8
97.06523	25.5
99.04446	2.8
100.95532	2.1
103.05489	4.6
105.04581	3.3
105.07032	82.4
107.08585	43.4
107.57248	2.5
109.06504	13.9
109.10170	22.3
110.00334	2.0
115.05501	3.5
117.07019	19.2
119.08594	63.9
121.06544	11.0
121.10149	100.0
123.08079	8.6
123.11695	7.5
128.06232	7.0
129.06985	14.3
130.07771	5.2
131.08577	40.6
133.10143	45.2
135.08073	7.8
135.11664	11.3
141.07005	5.2
142.07747	15.3
143.08560	29.7
144.09338	9.1
145.06483	6.4
145.10124	53.1
147.08054	3.5
147.11699	14.6
147.56870	2.5
149.09636	5.7
154.07756	2.9
155.08554	9.9
156.09355	9.1
157.10144	36.6
158.10893	3.8
158.63132	2.1
159.08035	3.0
159.11702	35.7
161.09598	9.0
161.13277	6.7
161.27480	2.0
163.11203	2.4
165.07002	3.2
168.09363	2.8
169.10136	17.6
170.10965	5.4
171.11678	21.7
173.09543	2.4
173.13255	20.2
175.11179	4.7
175.14819	8.6
179.08606	4.1
181.10136	8.7
182.10884	5.1
183.11714	11.0
184.12358	2.8
185.13213	10.9
187.11244	11.3
187.14815	27.1
189.12726	2.9
193.10101	3.3
195.11606	2.9
196.12479	3.3
197.13286	15.0
198.81497	2.2
199.14830	12.8
207.11755	5.8
208.12563	2.6
209.13240	6.8
210.14009	2.9
211.14792	8.2
213.16449	5.3
215.14296	2.4
221.13286	6.1
223.14844	4.0
225.16396	5.3
235.14848	7.3
237.16557	3.2
239.14206	2.9
239.17920	5.1
253.15860	6.6
265.19528	4.3
281.22604	6.8
289.19675	2.4
291.21002	10.9
309.18524	4.5
309.22095	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2212
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
50.01612	2.6
53.03937	7.2
55.01859	6.2
55.05510	16.8
57.03424	9.4
57.07065	5.1
59.05004	2.3
65.03927	3.6
67.05507	33.7
69.03422	4.1
69.07069	20.9
71.04995	2.5
79.05071	2.7
79.05495	34.0
81.03411	3.6
81.07057	44.9
83.04971	4.0
83.08607	5.6
91.05487	48.2
93.07048	83.3
95.04974	63.6
95.08061	3.6
95.08615	49.9
97.06526	22.3
101.57180	2.0
103.05461	3.9
105.04520	3.3
105.07034	94.1
107.08608	44.3
107.09323	4.3
108.27339	2.1
109.06522	15.7
109.09470	2.9
109.10165	30.0
109.10852	3.9
111.08103	2.3
114.29458	1.9
115.05448	4.2
116.06219	2.8
117.07019	19.9
119.08588	66.3
121.06498	12.3
121.10143	100.0
123.08099	9.8
123.11761	10.5
128.06192	8.0
129.07028	15.5
130.07817	10.8
131.08569	43.3
133.06512	4.0
133.07544	3.7
133.10132	52.8
134.26648	1.9
135.08037	4.5
135.11743	12.4
137.09589	2.4
141.06966	8.8
142.07784	17.1
143.08566	30.1
144.09306	8.3
145.06552	2.2
145.10133	63.0
147.08031	7.5
147.11676	15.6
149.09631	5.9
149.13206	2.5
154.07744	3.7
155.08589	12.9
156.09285	14.0
157.10136	45.5
158.10883	7.1
159.07983	4.7
159.11694	36.3
161.09590	8.0
161.13237	6.9
167.08588	4.6
168.09355	3.3
169.10159	19.6
170.10883	6.2
171.11734	19.3
173.09557	3.2
173.13219	17.9
175.11198	4.4
175.14804	7.4
179.08568	6.4
181.10133	7.9
182.10880	5.7
183.11754	17.7
184.12404	3.5
185.13322	12.0
187.11229	12.9
187.14835	24.2
189.12723	4.0
193.10197	4.3
194.10909	4.6
195.11650	8.5
197.13248	16.0
199.14813	10.3
200.15492	3.9
201.12746	4.2
201.16374	2.1
206.10925	3.4
207.11674	5.0
209.13292	12.5
210.13980	3.0
211.11264	2.3
211.14934	10.0
213.16444	3.1
215.14265	4.9
221.13243	4.9
223.14787	4.6
225.12680	2.7
225.16411	5.7
235.14769	6.3
237.16438	2.8
239.14316	4.0
239.17961	2.9
241.15862	2.4
249.16324	3.3
251.17863	2.7
253.15829	8.6
265.19333	3.3
267.21249	2.2
281.22583	4.9
291.20999	7.2
309.22079	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03930	7.8
53.07912	5.5
55.01870	12.9
55.05506	27.1
56.74909	5.1
57.03424	23.5
57.07100	6.5
59.05004	9.2
63.16180	5.8
67.05507	79.0
69.07047	17.3
71.04565	13.5
71.04951	10.6
73.08253	6.3
77.40910	5.2
79.05493	67.1
81.03395	5.7
81.07053	100.0
83.04980	11.6
83.08619	6.7
85.06531	10.2
86.99105	7.0
91.05466	45.1
93.07050	45.5
95.04986	95.0
95.08605	26.3
97.06547	9.8
97.10154	8.1
105.07018	37.8
107.04959	16.8
107.08605	30.4
109.02907	6.6
109.06532	92.0
109.10123	12.2
111.04437	22.1
113.05989	25.8
117.07037	17.3
119.04914	6.5
119.08580	23.9
121.06516	12.7
121.10153	17.8
125.09612	9.8
129.07027	11.1
131.08597	29.0
133.10158	17.7
135.08044	43.4
135.11693	10.9
143.08559	12.6
145.10106	26.2
147.08014	9.2
147.11743	11.6
149.09592	13.9
157.10162	10.5
161.09665	9.1
163.11151	15.1
171.17950	6.1
175.11169	8.4
181.10129	6.5
217.15799	9.0
231.13811	8.3
245.18851	7.9
273.18570	43.5
291.19540	79.5
309.24225	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.20090	2.0
53.03934	6.8
55.01871	17.4
55.05511	23.6
56.98781	2.2
57.03440	3.6
59.05003	3.0
65.03957	3.0
67.05509	76.8
69.03437	6.3
69.07072	26.9
71.04977	10.7
79.05070	3.9
79.05498	45.5
81.03416	3.3
81.07062	95.5
81.49175	2.2
83.04998	14.4
83.08634	11.1
85.06555	6.9
90.73560	2.6
91.05489	52.9
93.07053	41.7
95.04991	11.4
95.08620	27.3
97.06524	9.3
97.10187	3.7
99.04452	4.7
103.05477	2.4
105.07038	53.8
107.04935	9.1
107.08599	60.0
109.06522	12.1
109.10162	89.1
111.04444	5.1
111.08088	8.4
113.05977	3.3
117.07004	5.9
119.08603	14.5
121.06482	11.7
121.10140	11.2
123.08048	8.9
123.11698	12.5
125.09650	6.4
127.07549	6.5
128.06322	2.9
129.07018	5.2
131.08583	15.8
133.06509	6.9
133.10138	100.0
135.08070	8.4
135.11661	7.9
137.09604	5.8
139.07530	4.7
143.08556	5.9
145.10136	7.3
147.08080	12.0
147.11699	6.5
149.09621	5.3
151.11194	68.2
152.14371	3.7
157.10092	3.8
159.11667	4.1
161.09605	8.6
161.13249	3.0
163.11221	3.8
163.22466	2.2
169.12260	20.4
171.11700	4.2
173.09557	2.3
175.11226	6.7
179.10681	4.2
181.12251	2.9
189.12749	2.6
206.31038	2.9
215.12796	5.9
217.12212	2.9
235.13185	2.8
245.19058	13.9
255.17497	5.5
263.20148	12.6
273.18503	37.3
291.16541	4.8
291.19559	62.7
309.20587	30.1
309.25455	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	309.2063
Annotation	Albocycline
Peak:m/z	Relative Intensity
53.03928	1.2
55.01864	2.9
55.05519	19.3
57.03422	1.1
57.07084	0.8
59.04996	1.0
64.23680	0.7
67.05183	0.8
67.05511	11.7
69.03457	3.5
69.07080	9.6
70.03613	3.0
71.04992	1.1
75.05637	0.8
79.05501	12.1
81.03416	2.0
81.07066	13.7
83.04965	2.2
83.08625	11.2
91.05502	6.6
93.07056	9.5
95.04985	5.0
95.08616	7.6
97.02878	1.2
97.06538	2.4
97.10188	16.5
105.07045	6.4
107.04952	2.3
107.08605	7.9
107.80255	0.8
109.02863	1.3
109.06569	1.1
109.10165	3.2
111.04494	1.1
111.08078	1.6
117.07022	3.7
119.04976	1.4
119.08594	6.0
121.06521	1.9
121.10165	4.6
123.08118	5.2
123.08920	1.0
123.11726	1.5
125.09657	11.9
129.07014	1.9
131.08617	4.6
131.09485	1.0
133.06520	1.4
133.10118	2.4
135.08063	2.4
135.11696	1.5
137.09634	1.3
143.08600	1.6
145.10136	3.3
147.08052	3.3
147.11697	2.2
149.09578	1.1
149.13278	0.8
155.08687	0.7
157.10141	1.5
159.11714	1.3
161.09610	1.2
163.11188	1.4
164.66806	0.8
165.09132	1.8
171.10254	1.0
171.11700	1.3
173.09671	1.0
175.11163	1.2
189.11259	7.2
189.12817	1.3
221.11777	0.9
223.13367	5.6
245.18971	1.3
255.17432	0.9
273.18503	9.0
286.10382	1.1
291.19571	100.0
292.20151	1.1
309.20621	3.3
309.25290	0.8
315.47006	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03935	4.0
55.01876	13.4
55.05513	43.0
57.03432	6.4
57.07081	2.8
59.04985	2.0
59.74950	1.6
64.97399	1.5
65.03952	1.8
67.05508	40.2
68.18574	1.4
69.03452	8.4
69.07072	27.1
70.69893	1.7
71.04991	8.5
71.08635	1.9
73.95035	1.7
77.25477	1.7
79.05499	42.4
81.03426	15.8
81.07061	99.0
83.04984	15.3
83.08157	2.0
83.08624	27.5
85.02912	5.7
85.06547	5.8
91.05480	24.9
93.07050	31.9
95.04983	19.1
95.08611	32.9
97.02921	2.3
97.06529	11.3
97.10177	37.2
99.04445	2.1
99.08078	6.1
105.03442	1.7
105.07036	27.2
107.04948	6.9
107.08596	27.9
109.06525	13.1
109.10162	19.6
111.04447	18.6
111.08073	12.1
117.07050	9.9
119.08575	21.7
120.37373	1.7
121.06505	6.3
121.10137	16.0
121.56982	1.8
123.07201	2.6
123.08072	35.0
123.11706	4.6
125.05946	1.7
125.09635	31.1
128.16624	1.7
129.06996	5.2
131.08569	14.9
133.06516	3.3
133.10139	8.4
135.08051	9.5
135.11685	11.4
137.09615	10.9
139.11200	5.0
143.08569	5.9
143.10655	2.1
145.06500	1.9
145.10121	11.8
147.04515	1.9
147.08052	9.2
147.11682	7.7
149.09622	6.8
149.13274	3.2
153.09109	5.0
153.12759	5.1
155.01030	2.5
157.10138	7.1
159.11682	3.2
161.09663	1.9
161.13258	2.5
163.11198	27.4
165.09131	11.4
165.12708	2.7
166.19991	1.7
169.10059	2.0
171.10152	3.7
171.11597	2.2
175.11221	5.6
177.12846	2.9
181.12227	8.7
189.11237	27.2
189.16266	1.9
191.10667	6.8
193.12239	13.1
199.14821	2.4
211.13290	5.0
217.15936	4.6
223.13329	7.4
227.12837	7.4
231.13853	2.4
234.98975	1.8
235.13371	2.2
245.18979	2.8
255.17458	2.7
263.20074	4.2
273.18512	24.8
279.06497	25.5
291.19559	100.0
293.08044	4.7
309.11227	61.3
309.17300	3.3
309.20612	26.4
332.04788	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03940	1.5
53.63099	1.0
55.01884	7.3
55.05514	6.3
57.03441	31.4
57.07064	1.3
65.03947	1.3
67.05507	25.2
68.97862	1.0
69.03407	1.6
69.07061	3.5
70.97172	3.1
71.04981	3.6
79.05495	12.8
81.07066	10.8
83.05000	1.3
83.08618	2.9
85.06551	33.2
87.57950	1.0
90.25175	0.9
91.05486	10.2
93.07047	9.5
95.04973	42.9
95.08623	5.6
97.06535	2.4
101.20786	1.1
105.07033	5.9
107.04973	4.9
107.08590	8.7
109.06528	38.1
109.10140	1.5
111.08117	1.0
113.06011	100.0
117.07024	5.2
119.08596	6.2
121.06516	2.5
121.10120	3.1
123.08053	1.5
125.55565	1.0
128.06270	1.2
129.07004	2.6
131.08566	7.7
133.06458	1.0
133.10165	2.1
135.08055	36.3
135.11696	3.5
143.08559	4.3
145.10152	5.7
147.08063	1.7
149.09612	4.7
149.13177	1.5
152.63107	1.0
155.08475	0.9
157.10091	2.7
158.66614	1.0
159.08003	1.5
159.11681	3.9
161.09592	3.1
163.11140	1.5
171.11800	2.7
173.13327	1.8
173.71230	1.0
175.11191	1.8
177.12735	2.7
183.11697	1.9
185.13306	1.5
199.14751	1.4
201.12744	1.2
217.15886	9.0
219.13914	1.3
227.17848	1.2
231.13655	1.2
233.15228	0.9
245.18861	1.6
249.76122	1.0
250.87383	1.0
255.17412	1.2
273.18521	15.5
291.19556	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58571	0.7
53.03957	1.4
55.01871	1.7
55.05513	7.1
57.03445	9.7
59.04988	1.5
61.02929	2.1
61.06447	0.6
67.05509	3.5
68.15162	0.6
68.90491	0.7
69.03438	4.3
69.07083	5.7
69.82434	0.7
70.06621	0.9
71.01369	2.2
71.04998	22.0
71.42131	1.0
73.02914	5.2
75.04485	11.9
79.05489	1.5
81.03426	1.8
81.07068	7.8
83.04987	7.0
83.08644	1.7
85.02911	100.0
85.06550	1.3
86.06108	0.8
87.04464	2.1
87.76428	0.6
90.87677	0.7
91.05493	2.3
93.07040	3.3
95.04984	1.5
95.08605	5.2
97.02886	4.5
97.06570	0.9
97.10188	7.4
98.98479	1.2
99.04485	2.0
101.06001	1.4
103.03987	1.3
105.07056	1.8
107.08610	2.7
109.02888	2.2
109.06566	1.0
109.10132	3.5
111.04432	3.6
111.08073	1.6
119.08598	2.1
121.10190	1.5
123.11720	1.8
125.09634	1.9
127.03931	4.4
129.05490	22.7
130.86101	0.7
131.08597	0.8
133.10138	1.5
135.11702	1.2
137.09592	1.2
139.03976	1.1
139.11232	0.9
143.10704	2.9
145.04973	2.9
147.04431	2.6
147.06532	12.3
147.11728	0.9
149.13254	1.0
163.03949	0.7
165.12733	0.9
171.06587	0.9
255.08647	0.9
256.69604	0.8
291.19720	1.2
291.23221	1.7
309.08118	0.9
309.11194	3.8
309.17319	0.9
309.24390	1.5
309.27841	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	309.1122
Annotation	Moracin E
Peak:m/z	Relative Intensity
55.05501	1.3
57.03421	0.8
57.07066	0.4
59.05008	0.4
59.12661	0.4
62.61259	0.3
67.05504	3.1
69.03400	0.5
69.07056	1.9
75.19331	0.4
79.05490	1.9
81.07060	3.5
83.04971	0.6
83.08603	0.6
85.02913	1.2
85.06524	0.5
87.04449	0.4
91.05485	2.2
93.07048	2.4
95.04958	1.2
95.08605	3.2
96.01027	0.3
97.06561	0.5
97.10152	0.5
98.98462	0.5
105.07037	1.5
107.08611	1.9
109.06514	0.5
109.10155	1.4
117.06961	0.6
119.08589	1.7
121.10136	1.9
123.04433	1.1
123.11691	1.0
125.09608	0.4
131.08559	0.8
133.10126	1.0
135.11713	0.8
143.08589	0.6
145.10187	0.7
147.04390	0.7
147.11697	0.5
149.13239	0.5
153.01088	0.3
155.01093	0.4
157.10112	0.5
163.03922	0.6
195.04349	0.4
217.15839	0.5
226.06335	0.5
235.13423	0.5
239.07083	2.5
240.46681	0.3
252.07890	0.9
265.08578	0.4
267.06540	0.7
273.18649	0.5
277.08594	1.2
279.06525	39.0
281.08023	0.5
291.19678	0.7
291.23120	0.4
293.08090	7.7
294.08789	0.6
309.11206	100.0
310.11600	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2222
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.05497	0.2
57.07064	0.3
58.02949	0.2
66.04713	0.2
67.05504	0.4
69.07059	0.7
71.08619	0.4
71.54045	0.2
75.83810	0.2
79.05522	0.5
81.07068	1.7
85.82613	0.2
88.07583	0.3
91.05468	0.5
93.07078	0.2
94.04189	1.8
94.82704	0.2
95.08625	0.9
101.50397	0.2
107.08599	0.2
109.06493	0.3
114.75578	0.2
115.82159	0.2
122.03664	6.2
137.05989	100.0
137.13261	0.6
138.06326	0.7
139.03897	0.5
140.04250	0.4
155.14343	0.2
165.12822	0.3
172.16997	1.5
184.16998	3.0
193.59891	0.2
278.44788	0.2
285.10269	0.3
291.23196	1.2
308.22406	0.6
308.25858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.0
57.03434	1.1
65.03940	0.9
67.05497	1.4
69.03435	5.5
69.07072	1.0
69.08139	0.6
71.04984	1.0
71.52927	0.6
71.53369	0.9
75.87327	0.6
79.05509	0.7
81.07057	1.4
84.08129	0.9
85.02909	1.9
86.09687	0.7
91.05492	8.4
92.70478	0.6
93.07040	1.3
95.08625	1.5
97.02901	2.6
98.98489	0.8
99.04452	1.0
107.04978	1.7
107.08575	1.1
109.02904	1.1
109.10178	0.9
111.04450	0.7
119.04951	25.4
120.08100	0.9
127.03951	3.3
131.04924	1.1
131.08566	1.1
135.04446	0.9
135.11728	0.7
147.04420	100.0
154.08571	1.0
163.03928	8.2
173.13258	0.7
181.08902	0.6
223.77904	0.7
231.01418	0.7
237.14922	1.6
291.08704	2.0
291.13470	2.0
309.09177	3.9
309.14505	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2633
Annotation	Trixagodiol C
Peak:m/z	Relative Intensity
51.01636	2.4
52.84192	2.1
53.51947	2.1
55.05508	11.8
57.07073	10.4
63.49295	2.2
67.05521	29.1
69.06793	2.3
69.07077	27.9
70.56911	2.3
71.05009	3.0
71.53174	3.5
79.05495	10.0
81.07067	87.5
83.08620	16.0
91.05492	7.2
93.07043	27.9
95.08616	100.0
97.06531	3.7
97.10189	13.8
105.07024	13.2
107.08600	30.4
109.10165	76.9
110.02647	2.1
111.08079	4.3
111.11738	3.0
119.08556	13.9
121.10162	21.5
123.08070	4.6
123.11713	57.2
125.09650	4.0
131.08604	2.6
133.10138	9.0
135.11722	21.1
137.05989	3.8
137.09624	14.9
137.13283	40.9
139.03955	4.3
139.11220	4.9
143.54800	2.3
145.10110	5.4
147.11693	10.2
149.13268	29.3
151.11203	3.1
155.10678	38.7
159.11668	4.4
161.13297	6.8
163.14894	15.8
165.12802	9.1
173.13232	2.5
175.14830	7.7
177.16383	10.5
179.14398	4.1
179.17934	32.8
187.14876	3.3
189.16397	5.3
207.09700	2.6
207.17496	2.8
213.86734	2.4
215.17955	6.8
230.52457	2.5
231.21216	4.0
271.24243	20.2
289.25253	22.2
301.66943	2.3
307.26309	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	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
51.53347	0.7
53.03932	1.4
55.05269	1.1
55.05512	13.6
57.03440	1.4
57.07071	5.3
59.05008	1.5
67.05508	16.0
69.03435	1.3
69.07072	50.2
70.06583	2.6
70.44559	0.6
70.78074	0.9
70.78411	0.8
71.04996	3.8
71.06911	0.8
71.08624	1.9
73.06545	0.8
79.05122	0.7
79.05499	6.0
81.07060	34.4
83.04985	2.0
83.08619	9.9
83.09069	1.2
85.06542	3.0
88.07650	0.8
91.05499	3.2
93.07049	13.8
95.04980	2.5
95.08611	24.8
97.06535	2.7
97.10165	2.6
99.08089	2.4
105.07037	14.0
107.08591	13.3
109.06520	2.9
109.10159	33.4
109.78810	0.6
111.08083	3.0
111.11723	11.3
113.09637	0.7
117.06972	0.8
119.08582	9.1
121.06517	1.1
121.10160	16.5
123.08057	2.8
123.11706	15.3
125.09663	1.5
125.13278	0.7
127.11182	2.5
131.08585	1.5
133.10126	4.3
135.08029	1.1
135.11665	6.5
137.09619	2.7
137.13286	3.7
139.03899	12.4
139.11183	10.5
145.10127	2.2
147.11678	6.2
149.13269	6.6
151.11176	2.2
151.14868	1.8
153.12766	2.0
155.10670	2.7
159.11739	3.3
161.13248	5.4
163.03937	1.1
163.11185	1.8
163.14819	3.3
165.12746	9.7
167.14323	1.2
173.11891	0.7
173.13266	1.5
174.15204	0.6
175.14824	2.2
177.12794	2.9
177.16418	1.3
179.14333	13.3
181.04996	0.7
187.14838	1.2
189.16423	1.4
191.14294	0.8
191.17938	1.5
195.06529	0.6
201.16333	1.4
201.20522	1.4
203.17976	1.5
209.19081	0.8
215.17986	1.7
217.19434	0.7
233.18887	1.3
240.23206	0.6
245.23024	5.8
263.23511	0.8
271.24216	2.1
277.25275	1.6
289.25302	10.4
307.26376	100.0
321.24591	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2633
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03925	2.9
55.01866	2.5
55.05510	19.7
57.03433	2.2
57.07074	8.0
59.04988	3.1
64.57745	1.1
67.05505	19.2
69.03419	4.5
69.07069	100.0
69.14313	1.1
69.29617	9.7
71.05009	5.4
71.08619	2.8
79.05491	16.9
81.03419	1.9
81.07056	93.0
83.04991	5.8
83.08615	14.4
85.06553	7.5
90.38522	1.1
91.05463	10.2
93.06490	2.3
93.07047	38.4
95.04957	8.5
95.08607	63.9
97.06525	11.0
97.10143	6.2
99.08092	2.6
101.06013	1.6
105.07038	42.7
107.08586	32.0
109.06519	9.6
109.10161	32.5
111.04468	1.3
111.08068	8.1
111.11716	25.6
113.09601	1.5
117.07011	2.2
119.07788	2.0
119.08578	19.5
121.06511	1.2
121.10143	39.7
123.08070	2.7
123.11717	35.9
125.05927	2.4
125.09589	2.8
125.13236	2.7
127.03903	1.3
131.08594	2.6
133.10132	7.8
135.08041	3.0
135.11694	16.5
137.09657	2.5
137.13264	13.8
139.03905	43.5
139.11188	21.2
141.09131	1.4
145.10126	5.6
147.11681	23.1
149.09627	1.2
149.13254	11.2
151.03888	3.3
151.11206	8.8
151.14813	1.9
153.12741	8.1
155.01044	2.2
159.11693	4.3
161.13278	4.0
163.03857	3.9
163.11130	2.1
163.14816	4.4
165.12755	31.2
167.14340	3.3
169.05020	1.7
173.13272	4.4
173.90437	1.3
175.14830	4.0
177.05450	1.4
177.16415	2.8
179.14388	1.6
181.04988	2.5
181.12209	1.2
183.13785	2.7
187.14766	3.2
189.12697	1.6
189.16415	2.9
191.17909	1.4
195.06563	1.3
203.18034	1.6
215.18010	2.8
245.22665	3.8
271.24188	6.1
277.25232	3.1
278.57980	1.3
289.25250	23.9
307.07043	1.2
307.26312	65.3
326.57169	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03944	2.1
55.05511	16.3
57.03426	1.0
57.07074	8.1
59.05003	11.3
67.05509	24.0
67.59910	1.0
69.03430	1.6
69.07071	42.5
69.33606	7.9
71.04984	4.3
71.08633	1.9
73.06519	0.9
79.05074	1.3
79.05495	13.1
81.07060	100.0
83.04976	2.1
83.08629	12.7
85.06537	2.6
91.05486	8.7
93.06486	1.9
93.07049	31.9
94.28024	1.0
95.04961	4.6
95.08613	98.4
97.06530	7.0
97.10178	5.9
98.98444	1.5
99.08108	1.7
105.07034	11.4
107.04954	1.2
107.08604	27.2
109.06513	2.8
109.10162	38.1
111.08096	3.4
111.11727	8.4
119.08589	9.6
121.06522	1.2
121.10155	21.5
123.08093	1.3
123.11713	29.3
125.09639	2.1
125.13275	1.3
131.08565	3.0
133.10132	10.0
135.04311	1.2
135.11699	17.9
137.13261	59.5
139.03909	28.5
139.11174	5.1
144.09326	1.7
145.10179	2.5
147.11687	6.3
149.13266	21.2
151.03911	1.1
151.11111	2.4
151.14827	2.4
153.12675	1.2
155.10733	1.5
159.04404	1.5
159.11659	4.9
161.13264	5.8
163.03876	3.3
163.11273	1.1
163.14842	3.1
165.12732	1.4
173.13274	2.2
175.14792	4.1
177.12746	1.9
177.16362	3.4
181.05005	2.5
187.14813	1.7
189.16402	2.4
191.17941	1.1
201.16472	1.8
203.17877	1.0
205.15981	1.2
205.19574	1.2
215.17879	2.2
216.37822	1.2
219.17311	1.1
237.18391	1.2
245.22626	1.8
251.20200	1.0
265.11752	1.1
271.24252	5.0
279.27075	1.1
289.25250	9.7
296.97845	1.1
307.26312	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	307.2632
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03931	2.1
55.01865	2.1
55.05513	22.5
57.03440	2.4
57.07083	10.4
59.04996	1.7
65.03945	2.1
67.05511	29.5
67.05880	1.5
69.03426	3.3
69.07070	48.0
70.57124	2.9
71.01357	1.4
71.04990	7.0
71.08629	3.6
79.05493	14.5
81.07059	100.0
83.04977	4.2
83.08621	18.7
85.06535	2.5
87.04494	1.8
91.05477	8.9
93.07049	37.8
94.15369	0.9
95.04974	9.0
95.08610	89.7
97.06538	7.0
97.10178	9.2
99.08101	2.8
103.77611	1.0
105.07033	11.3
107.04977	1.6
107.08596	25.1
109.06511	3.6
109.10159	43.5
111.08086	7.5
111.11737	6.5
113.06003	1.4
115.07556	1.6
119.08583	9.3
119.77867	1.0
121.06522	2.5
121.10143	23.8
123.04423	1.0
123.08091	2.9
123.11718	26.7
125.05994	2.2
125.09642	2.6
125.13247	2.2
131.08563	3.7
133.10129	6.3
135.04387	1.5
135.11697	15.9
137.09636	1.8
137.13245	13.5
139.03909	29.4
139.11214	4.8
145.10146	6.6
147.11665	5.5
149.09598	1.3
149.13249	12.2
151.03940	2.4
151.11172	3.8
151.14828	6.7
153.12720	2.7
155.10614	1.6
159.11697	5.2
161.13258	6.8
163.03952	3.1
163.11174	3.9
163.14815	7.5
165.12729	2.7
165.16422	2.0
167.10625	1.3
167.14360	3.5
169.05014	1.4
169.12204	1.1
173.09386	1.0
173.13275	1.9
175.14835	4.1
177.12723	1.7
177.16397	3.7
179.14345	1.5
181.04990	1.8
187.14877	2.5
189.16382	3.4
191.17912	2.6
193.16029	1.4
195.06509	2.4
195.13843	1.3
201.16386	2.7
209.19014	1.2
215.17957	3.5
217.19485	1.1
223.16928	1.3
229.19402	1.3
231.21147	1.4
233.19098	1.7
237.18472	2.8
271.24149	6.8
279.26904	1.0
289.25244	11.9
307.26321	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	307.227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92245	1.6
53.03751	1.7
53.03952	21.8
53.95485	1.6
55.01879	33.7
55.05515	22.6
57.03436	5.2
57.07078	3.3
58.56828	1.9
61.04723	1.5
65.03940	4.7
67.05510	61.5
68.28754	1.8
69.07072	50.7
71.05006	2.7
77.43238	1.9
79.05501	47.4
81.03425	41.6
81.07062	100.0
83.04987	12.6
83.08631	12.3
85.06567	9.2
91.05486	60.8
93.07050	58.4
95.01330	7.7
95.04968	18.0
95.07988	2.8
95.08616	48.0
97.06541	70.1
97.10182	2.6
98.21516	5.8
99.04446	2.2
99.08071	4.1
103.05466	2.5
105.07034	85.6
107.04973	30.4
107.08604	25.8
109.06538	11.7
109.10168	13.5
111.08095	6.8
115.05459	2.0
117.07029	19.6
119.04961	2.3
119.08590	46.6
121.06503	7.6
121.10146	13.7
123.04444	2.2
123.08077	11.8
123.11729	4.4
125.09640	4.5
126.04396	2.0
129.07037	3.3
131.08575	27.1
133.06479	3.0
133.10143	48.7
135.08064	5.6
135.11705	20.5
137.05899	4.7
137.09613	3.7
138.06293	2.2
139.03894	6.7
139.07579	4.3
141.06981	3.7
143.08553	4.5
145.06505	7.1
145.10138	21.2
147.11693	21.8
149.09651	13.5
149.13274	11.7
151.11162	4.7
155.08548	1.8
157.10216	4.4
159.08070	2.5
159.11719	25.6
161.13269	6.7
163.11243	9.1
163.14825	2.1
165.09157	4.5
165.12859	2.5
169.10172	4.7
171.11739	3.0
173.13298	5.2
177.12761	20.9
179.14322	17.8
183.11664	1.8
184.58191	1.9
185.13148	2.3
187.11212	14.5
191.67555	2.2
197.13210	2.3
205.12222	7.5
209.15387	5.6
219.17456	24.6
229.19551	3.7
239.17918	3.2
247.20752	5.2
257.19034	6.8
266.38943	1.6
275.20078	93.5
307.09506	2.8
307.22842	21.6
307.26117	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	307.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
55.01870	0.4
56.05042	2.3
56.96560	0.3
58.06608	3.7
66.94769	0.3
67.05499	0.5
68.05028	0.4
69.07079	0.6
71.03779	0.4
71.13542	0.7
72.93809	0.3
74.02451	0.4
83.07758	0.4
84.03991	0.5
84.04514	21.5
84.08150	100.0
85.02897	0.4
85.06495	0.4
85.08491	0.5
86.06076	6.3
86.09705	6.1
88.04003	1.1
88.07294	0.3
95.04977	0.4
96.04590	0.3
98.09708	0.4
102.43554	0.3
107.04987	0.5
111.04467	0.4
114.12801	0.4
119.46343	0.3
121.02899	0.7
123.04469	0.4
127.07442	0.3
130.08626	1.7
131.05023	0.4
132.95901	0.7
133.02821	0.4
135.04427	0.9
139.03914	25.3
140.03391	0.9
141.13879	6.5
147.04440	1.1
150.96838	0.4
151.03949	1.2
152.10687	0.4
154.12294	0.5
158.97485	0.4
161.05984	1.1
163.03925	2.2
169.04962	0.7
169.13390	8.8
176.98499	0.4
177.05493	1.0
179.03328	0.4
181.04953	1.3
189.05513	0.5
195.06638	0.8
198.11171	1.8
201.05478	0.7
215.13925	37.8
217.34726	0.3
243.17062	50.1
244.17493	0.4
247.06142	0.4
262.11102	3.8
306.81757	0.3
307.01147	0.4
307.08325	0.6
307.16873	21.9
308.17569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0812
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
50.34703	0.2
53.00296	0.4
55.01865	0.6
57.19672	0.2
61.21724	0.2
65.03934	1.1
67.05497	1.0
68.99777	1.0
71.25941	0.5
83.04975	0.4
93.03397	0.9
95.04959	1.4
97.02890	0.2
98.09777	0.3
103.05460	0.3
107.04951	1.1
110.28131	0.3
111.00820	0.3
111.04441	1.3
117.03452	0.4
121.02888	0.9
123.04422	0.9
123.21687	0.2
127.03931	0.9
128.32631	0.2
131.04918	0.7
133.02864	1.4
135.04430	2.7
139.03899	100.0
140.04274	0.4
145.02837	0.7
149.05978	1.0
151.03893	4.0
153.01799	0.6
153.05495	0.9
159.04391	2.4
163.03909	8.9
167.06996	0.5
169.04948	2.8
177.05466	2.7
181.04947	5.9
195.06541	2.5
205.04976	0.9
223.06017	1.1
241.73795	0.2
247.06023	0.7
265.06894	0.4
289.07126	0.8
307.08136	1.3
322.46677	0.3
325.23349	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
53.47493	2.0
55.05502	9.5
57.03442	2.2
57.60757	1.8
65.03944	8.9
67.05513	22.9
69.03436	35.1
69.07076	3.7
69.81127	5.2
69.81536	5.6
73.02885	2.0
78.09516	2.2
81.07055	5.7
83.04494	3.8
83.04991	69.5
85.02912	16.5
87.00814	3.2
87.04484	35.3
93.03420	24.9
93.07017	2.7
95.04981	54.6
95.08628	3.8
97.02914	5.0
97.06612	2.1
98.20838	3.0
98.80122	1.9
101.06011	4.1
105.07068	2.2
111.04457	100.0
115.03942	69.7
115.04761	2.6
119.20655	2.2
121.02883	13.4
123.11742	2.2
129.05498	80.9
133.04988	6.3
135.11714	2.0
139.03925	93.2
145.10153	2.8
147.06535	55.8
149.13213	1.9
149.71935	1.9
151.03979	2.6
157.04988	71.2
161.49236	1.8
163.03880	3.3
175.06059	23.1
193.07103	64.6
194.04417	2.5
263.34894	2.5
289.09158	4.3
307.09512	2.4
307.15701	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	306.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31942	0.3
67.05509	0.5
69.07079	0.6
70.06594	100.0
71.24576	0.3
71.53178	0.3
81.07064	0.9
85.06528	0.4
88.07634	0.3
90.02076	0.3
93.07050	0.5
95.05023	0.3
95.08597	1.0
96.08976	0.4
105.07072	0.4
107.08626	0.4
109.02905	0.5
109.10156	0.5
110.97626	0.3
121.02853	0.5
123.04424	0.4
127.03969	1.7
128.04294	1.2
137.05989	1.8
139.03896	2.7
140.04236	0.4
151.03923	0.7
152.04266	1.2
156.03760	0.4
179.03374	0.4
205.19495	0.4
207.90929	0.3
213.05389	0.4
283.06326	0.6
288.06055	0.6
306.06989	0.6
306.24008	0.5
306.27969	13.2
312.33215	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70591	0.1
55.05509	0.1
57.07087	0.2
58.02950	0.2
65.03937	0.1
66.04735	0.2
67.05501	0.3
69.07070	1.2
72.08142	0.1
79.05514	0.6
81.07070	0.8
81.72012	0.1
83.08614	0.2
84.08111	0.1
86.06005	0.1
91.05484	0.4
93.07042	0.5
94.04187	1.6
95.08607	0.3
97.06527	0.3
98.20779	0.3
100.07610	0.3
105.07036	0.3
107.04932	0.2
107.08580	0.7
109.06539	0.2
109.10184	0.8
111.11711	0.1
114.09216	0.5
122.03652	5.6
123.11725	0.2
126.09163	0.3
133.10126	1.0
135.04393	0.1
135.11708	0.9
137.05980	100.0
138.06325	0.5
147.11681	0.2
151.11195	0.5
153.12743	1.2
165.12654	0.2
170.15414	1.9
182.15419	3.3
229.18698	0.1
306.20633	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44333	1.0
56.77534	1.3
57.07077	100.0
59.99107	8.4
62.06847	1.1
69.07075	1.6
71.54015	1.5
74.59579	1.2
85.07651	1.4
85.73055	1.1
86.06070	17.7
87.46825	1.3
94.04181	1.3
102.03777	2.9
106.06560	60.2
109.10194	1.3
116.05321	44.0
122.03656	2.4
137.05980	27.9
140.14381	1.1
143.33127	1.2
145.04295	11.7
165.74097	1.5
201.10571	72.6
208.05428	4.7
250.10110	5.1
258.19733	1.3
259.03748	1.1
306.16260	11.3
306.27844	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	306.1704
Annotation	Convolamine
Peak:m/z	Relative Intensity
56.61547	0.3
56.96118	0.4
57.03449	2.2
61.57479	0.3
67.05463	0.4
68.42049	0.3
69.03462	0.3
70.87985	0.8
71.01350	1.0
83.02837	0.4
85.02918	34.2
88.33378	0.3
91.05507	0.5
103.03966	0.8
113.02373	1.0
115.03981	0.3
118.05708	0.6
118.06562	13.3
118.98417	0.3
119.07322	0.5
127.03912	0.6
130.06473	0.4
131.03436	2.0
131.36603	0.4
132.08098	4.3
132.91060	0.3
133.08856	2.0
134.09616	1.0
134.16916	0.3
139.03943	0.7
141.96652	0.3
146.09666	4.1
147.10439	0.6
152.14198	0.4
160.11212	0.3
175.68495	0.3
176.14374	77.8
177.14716	0.6
202.16034	0.8
216.13921	0.5
225.57669	0.4
246.15067	0.5
262.10773	0.5
288.16019	1.4
306.17035	100.0
307.17276	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2477
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03938	5.4
55.05516	28.4
57.03429	2.3
57.07076	7.1
57.10588	2.0
59.05009	2.8
65.03941	3.9
67.05177	2.8
67.05508	33.1
68.99788	2.6
69.03424	3.7
69.07074	40.7
69.98788	2.7
69.99210	4.8
71.01360	2.4
71.05002	12.7
72.08153	1.6
79.05070	2.7
79.05502	36.7
81.03424	5.7
81.07066	91.3
83.04985	9.5
83.08627	12.4
85.06533	4.0
91.05486	18.1
93.03442	1.9
93.07052	100.0
95.04987	10.5
95.08614	75.5
95.09077	1.2
95.09247	2.0
97.06533	9.5
97.10188	12.2
98.21474	1.9
99.08089	2.7
99.42546	1.7
100.81122	1.6
101.06015	1.7
103.05502	3.1
105.07043	44.0
107.04990	2.0
107.08607	96.7
109.02906	9.0
109.06510	9.2
109.10164	45.7
109.75605	1.7
111.08070	4.3
111.11729	7.7
117.07049	3.4
119.08588	32.9
121.06493	3.0
121.10156	77.4
123.04446	15.4
123.08061	4.4
123.11720	37.1
125.05997	2.9
125.09646	5.7
127.03925	59.8
127.07578	2.1
127.11190	5.0
131.08583	6.6
133.02867	3.8
133.07539	1.9
133.10143	28.3
135.08107	2.6
135.11707	62.7
136.65648	1.5
137.09596	8.8
137.13261	7.1
139.03908	22.9
139.07555	2.1
139.11212	6.1
143.08546	2.6
145.10149	14.6
147.04393	3.5
147.11700	26.5
149.02327	3.1
149.09647	2.4
149.13274	68.5
151.03918	39.9
151.11201	8.6
151.14783	2.3
153.01831	2.0
153.12790	3.1
155.03418	13.0
155.10692	3.0
157.10161	4.5
159.11716	10.7
161.13277	10.6
163.11186	8.7
163.14815	14.8
165.12750	8.0
167.14226	2.6
171.11688	3.2
173.13269	6.2
175.03967	6.1
175.14815	9.2
177.12750	3.8
177.16438	4.7
179.03401	22.0
181.12199	5.5
185.13319	2.7
187.14848	3.8
189.16403	8.6
191.10416	1.6
193.15891	3.9
195.13737	1.7
199.04199	1.7
199.14922	2.0
201.16415	5.1
203.03535	3.6
203.17915	3.9
205.15782	2.2
213.05519	2.6
213.16354	4.1
217.15971	2.6
227.17921	2.2
235.16957	2.6
243.21146	2.5
249.18436	2.4
259.05939	1.8
259.24390	2.6
261.22278	2.0
268.73059	1.4
269.22662	9.4
275.05731	2.5
277.07141	4.6
277.25244	2.5
287.05481	13.7
287.23721	21.5
288.72620	1.5
299.88434	1.6
305.06546	18.9
305.24774	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01883	3.3
55.05502	5.8
57.03428	7.1
57.07076	2.7
61.02924	4.5
64.68150	1.7
65.03952	5.7
67.01852	5.9
67.05497	4.9
68.99781	8.9
69.03423	12.9
69.07052	3.0
71.04987	30.8
72.56213	1.8
73.02904	2.1
73.06536	3.7
75.04472	1.4
79.05501	4.5
81.03430	12.0
81.07056	4.8
83.04966	6.5
83.08612	5.7
85.02911	31.1
85.06557	12.0
91.05493	2.1
93.07063	3.5
95.04970	14.1
97.02881	8.1
97.06542	2.3
97.10162	10.9
99.04446	2.6
105.03388	3.9
105.07056	3.6
107.04927	2.2
107.08595	40.1
109.02894	14.7
111.00817	4.8
111.04457	6.3
113.09728	1.9
121.02865	11.8
123.04434	74.3
125.09637	76.5
127.03925	93.9
127.11236	2.2
131.04997	2.1
132.95880	3.1
133.02850	7.7
135.04410	2.7
137.02316	5.4
137.05978	2.0
137.09610	2.8
139.03902	36.3
143.07103	1.7
143.10680	84.0
145.04958	5.3
147.04395	8.2
149.02351	67.0
150.03128	2.7
151.03909	49.9
153.01836	100.0
155.03392	13.5
155.14751	1.7
157.06473	5.2
161.02357	5.3
163.03925	2.0
165.05695	1.7
167.03395	15.3
167.10649	7.7
171.02869	10.1
174.96910	2.1
175.03915	9.8
175.07524	3.5
179.03392	32.6
180.74529	1.6
185.05933	8.1
193.05037	2.0
195.02875	12.3
199.03993	2.4
203.03427	13.4
213.05453	14.8
217.05115	2.8
231.06520	44.9
241.05026	7.9
245.04419	3.6
258.05396	2.3
259.06027	64.8
275.05481	2.8
277.07114	6.8
286.98584	2.2
287.05521	40.8
305.06567	42.3
305.15356	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	305.0658
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
53.03934	1.2
54.98763	0.8
55.01878	1.5
65.03938	1.8
67.01861	1.1
67.05499	3.1
68.99796	4.4
69.17021	0.8
70.68936	2.5
81.03425	11.5
81.07059	1.8
83.04972	1.4
85.02880	1.8
85.06573	1.0
86.06094	1.0
87.48822	0.8
93.03406	0.9
95.04988	4.3
105.03403	3.4
107.04926	1.0
107.08601	1.1
109.02889	42.6
111.00841	1.9
111.04449	2.1
119.04933	1.4
121.02851	1.9
123.04440	31.1
127.03926	71.1
129.05438	0.9
129.07030	1.1
129.60991	0.9
133.02847	11.3
135.04407	1.2
139.03912	71.3
143.03416	2.6
145.06523	1.0
146.08145	1.2
147.04388	5.9
149.02336	3.4
151.03914	100.0
153.01828	11.2
155.03403	54.9
161.06068	1.0
165.05443	2.3
167.03430	4.6
169.30853	0.9
175.03926	4.8
177.05531	1.2
179.03407	19.0
189.05472	1.1
193.04991	2.0
199.04033	1.1
201.05373	1.3
203.03331	2.3
213.05498	5.6
217.04950	1.8
231.06511	2.5
241.04889	3.9
245.04691	1.1
245.12883	2.9
247.05927	1.4
259.06097	4.0
273.12332	3.9
275.05527	2.2
277.07095	15.4
287.05548	17.7
287.10315	1.3
305.06577	16.6
305.11432	1.9
305.14954	3.8
318.75165	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0656
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.03932	0.8
55.01867	1.0
55.05504	0.8
60.02742	0.7
65.03936	2.3
67.01861	0.9
67.05501	1.8
68.99782	4.3
69.03432	2.0
69.07041	0.8
69.95773	0.8
70.19783	0.7
71.12132	1.5
77.03931	0.9
79.05486	0.9
81.03405	1.0
81.07098	1.1
82.86713	0.7
84.08142	1.1
85.02914	0.9
87.97705	0.8
89.03978	0.8
91.05505	1.3
93.03443	1.1
93.07023	1.3
95.04962	3.5
97.02894	1.3
98.97585	1.2
105.03387	1.9
107.08627	1.2
108.86358	0.7
109.02887	1.4
111.04454	4.2
112.11408	0.6
116.98602	1.0
121.02876	8.3
123.04437	52.6
127.03921	9.9
129.06918	0.9
130.06523	7.0
133.02885	3.4
135.04427	2.0
137.02353	15.1
137.03386	1.0
139.03917	6.5
147.02722	0.8
147.04390	1.3
149.02351	52.7
150.03151	1.8
151.03902	4.7
153.01839	100.0
154.15974	0.8
155.03380	1.1
157.06465	3.5
158.06015	0.7
161.02368	6.5
161.05974	1.0
163.03844	0.8
164.07068	0.8
167.03403	9.2
175.03903	1.3
175.07568	0.9
179.03419	6.7
185.05949	6.3
195.02911	15.3
203.03473	1.1
213.05460	11.3
231.06534	41.0
241.04965	5.1
258.05347	2.2
259.06030	49.8
269.04407	1.1
287.05502	18.4
287.10245	1.2
305.06567	14.7
305.10880	1.2
305.14682	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0659
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
55.01875	0.8
58.16209	0.5
65.03942	1.6
67.01873	4.5
67.05494	1.1
68.99783	3.9
69.03439	1.5
69.23595	4.9
77.03963	0.5
81.03424	1.0
84.39886	0.5
85.02935	0.7
85.60585	0.6
89.03969	0.6
93.03415	0.7
95.04978	3.0
97.02892	1.5
105.03417	1.4
107.04954	0.9
109.02870	1.5
110.74918	0.5
111.00854	0.9
111.04462	4.4
121.02887	8.0
123.04446	53.8
125.02319	0.8
127.03933	15.0
133.02856	2.6
135.04454	1.9
137.02351	1.5
139.03908	5.8
141.06972	0.7
145.06578	0.6
147.04459	1.7
149.02362	49.1
150.03082	1.3
151.03929	6.8
153.01849	100.0
155.03433	1.2
157.06505	3.0
161.02382	4.2
161.06049	0.7
163.03900	0.9
167.03432	7.2
167.04808	0.9
171.02934	6.5
171.04291	1.0
175.03951	2.2
175.07646	0.6
179.03427	5.2
183.02881	0.6
185.06013	6.4
189.05493	0.8
195.02916	14.6
203.03429	2.7
203.07086	0.9
213.05482	10.6
217.04996	0.9
231.06552	36.5
241.04970	4.8
245.04517	1.6
257.05862	0.6
258.05261	2.1
259.06049	49.1
269.04431	1.0
277.06937	0.6
287.05542	19.7
305.06604	15.0
305.15820	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	305.0657
Annotation	5,7,3',4',5'-pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.03939	2.1
55.01863	2.9
55.05486	1.9
57.03435	1.4
60.66584	1.4
65.03928	3.3
67.01846	1.5
67.05508	7.4
68.99799	7.2
69.03438	2.9
69.07066	3.0
70.06569	2.7
71.06931	3.5
77.03926	2.5
79.05494	2.7
81.03413	6.2
81.07037	6.2
83.05003	2.5
84.08127	4.9
85.02897	3.4
90.19539	1.6
90.53253	1.5
91.05450	3.2
93.07028	4.8
95.04994	8.6
95.08598	4.4
97.02920	1.9
101.58572	1.5
105.03401	2.0
105.07021	3.4
107.08617	3.8
109.02896	8.8
109.10155	3.3
111.00777	4.5
111.04401	6.4
119.08592	2.9
121.02858	10.8
123.04432	76.0
124.07553	2.1
127.03922	71.6
130.04958	5.8
131.08655	1.8
133.02849	7.8
135.04401	2.2
135.08026	1.9
136.07584	15.8
137.02371	10.5
137.09602	2.4
139.03914	32.2
143.07004	1.6
143.08620	1.9
143.10698	1.8
147.04387	5.7
149.01161	3.3
149.02353	63.0
150.03061	4.2
151.03909	55.6
152.06995	3.7
153.01836	100.0
154.02138	2.1
155.02309	2.2
155.03416	13.9
157.06522	4.0
157.18195	1.7
161.02344	5.2
161.05988	1.5
161.13261	1.6
163.07443	1.6
164.07060	12.7
167.03439	12.1
167.04666	2.6
171.11661	1.6
175.03934	5.4
176.14395	12.6
177.05327	1.5
179.03410	30.5
182.08107	3.2
185.06017	9.3
193.04985	2.5
195.02885	17.5
201.05481	2.8
203.03406	7.8
211.10641	1.6
213.05492	15.0
217.04874	3.1
219.06667	1.9
231.06578	52.2
241.05066	10.2
258.05298	1.7
259.06049	64.6
269.04355	2.6
269.12933	2.7
275.05655	2.6
277.06982	7.2
287.05530	37.6
287.10257	3.6
287.13791	3.2
305.05902	76.4
305.14612	3.8
305.18414	6.3
305.24823	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0657
Annotation	5,7,3',4',5'-pentahydroxyflavanone
Peak:m/z	Relative Intensity
51.02361	0.9
53.52740	0.8
55.01850	1.3
55.05490	0.6
65.03926	2.2
67.01854	2.0
67.05491	2.2
68.99803	5.7
69.03425	3.6
69.86600	1.8
69.86995	1.4
71.04964	1.4
77.03924	1.1
79.05483	0.9
81.03429	4.2
81.07030	2.3
85.02886	2.9
91.05468	1.0
93.03399	1.4
95.04972	5.2
96.08104	0.7
97.02892	1.3
97.10188	0.9
99.04471	1.0
105.03398	2.8
105.07037	1.1
107.04948	0.9
107.08595	1.6
109.02885	5.7
111.00810	1.8
111.04452	5.5
115.05500	0.9
120.85681	0.7
121.02882	10.9
123.04437	71.6
124.07586	3.0
125.09638	7.0
127.03925	30.2
128.06267	1.0
129.07089	1.6
131.04922	1.0
133.02864	4.7
133.06497	0.8
135.04448	3.4
137.02371	1.3
137.06021	0.9
139.03909	13.1
143.10753	1.2
145.06503	1.2
147.04404	3.9
148.63594	0.6
149.02353	66.5
150.03149	2.4
151.03917	20.5
153.01840	100.0
155.03395	5.3
157.06502	4.2
160.96281	0.8
161.02356	6.8
161.05992	1.3
163.03912	0.9
167.03424	11.6
167.04810	1.3
169.06581	1.1
173.05974	0.9
175.03918	3.6
175.07599	2.2
177.05524	1.3
179.03398	13.7
185.05968	10.0
189.05530	1.7
193.05049	0.9
195.02904	18.8
195.04659	1.2
201.05655	0.8
203.03365	5.0
213.05482	13.8
217.05051	2.2
231.06540	46.7
241.04948	6.7
245.04428	1.1
258.05319	2.9
259.06030	64.4
275.05438	0.8
277.07114	2.2
287.05518	25.7
287.13910	1.6
305.06540	24.2
305.15033	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	46.5
57.03439	0.3
61.02916	0.7
68.96581	0.4
69.03430	1.0
69.91179	1.3
70.98125	27.8
71.95271	5.6
72.96056	2.7
73.02929	0.4
74.97620	1.0
81.04536	1.1
84.96037	4.4
85.02916	1.2
88.99165	5.0
95.06088	0.7
97.02893	0.4
98.20753	0.4
98.97589	100.0
100.99134	0.3
101.00883	0.6
107.00213	0.4
109.02926	0.4
110.97579	7.1
112.99146	2.9
115.00703	3.0
115.02464	0.5
116.07099	0.4
116.98625	33.3
119.01933	0.4
119.04922	0.4
123.72959	0.3
124.95486	16.4
124.99126	6.5
124.99873	0.2
125.07151	1.0
126.97015	1.9
127.00675	1.1
127.03898	0.6
128.97685	0.6
128.98615	8.6
128.99561	0.6
130.25742	0.3
131.00168	2.3
133.01736	1.3
134.99664	7.2
138.97046	1.7
139.49525	0.3
140.00200	0.7
140.98601	2.5
142.96532	8.7
143.00168	8.0
143.01938	0.4
143.03354	0.7
143.08174	4.8
144.98091	2.6
145.01740	2.6
146.99672	5.6
147.04398	0.6
149.01244	0.9
152.94931	5.5
153.00726	0.4
154.93243	0.6
154.96492	4.3
156.98080	4.9
156.99203	0.5
158.99667	7.1
160.97565	2.3
161.01254	3.1
162.99112	0.9
163.02701	0.3
165.00746	2.1
168.98050	0.4
170.96021	18.3
170.99614	1.0
172.94417	1.0
172.97601	11.0
173.01231	3.0
174.99149	10.5
177.00748	5.2
182.99678	1.2
184.95918	0.5
184.97577	11.0
186.99133	4.1
188.97084	22.9
189.00714	7.7
189.43217	0.4
190.98643	8.3
191.02306	2.4
193.00223	5.2
193.04085	0.4
195.01764	0.5
196.97533	0.4
198.99158	0.4
200.97099	0.4
201.00725	3.1
202.98643	18.5
205.00227	5.1
206.98158	6.1
207.01782	4.9
208.99730	0.8
212.97070	7.3
214.95444	0.4
214.98621	7.1
215.07640	0.4
217.00203	4.9
217.02150	0.4
219.01787	2.0
219.03606	0.5
220.02634	0.4
220.99696	14.5
223.01247	0.9
224.99333	0.6
230.98134	24.4
232.96310	0.4
232.99706	7.5
235.01259	4.8
237.02876	0.7
239.00673	2.0
244.97160	0.5
244.99695	9.6
245.05045	0.5
247.01237	0.6
248.99207	8.9
249.02043	0.4
249.02901	0.5
251.00772	1.4
253.02274	0.4
253.99913	0.4
263.00757	20.9
267.00183	1.1
272.99081	0.5
274.97894	0.3
275.00696	1.4
281.01816	9.6
286.02469	0.4
291.00235	0.5
293.01846	0.8
299.02838	0.9
305.01691	1.3
305.05679	1.2
305.11429	1.1
312.77103	0.4
323.02872	1.0
323.06375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	47.3
62.25733	0.6
68.96588	0.7
69.88057	2.8
70.98130	28.3
71.95270	4.7
72.96044	1.6
84.96050	4.6
85.02929	0.9
88.99169	4.9
97.02901	0.6
98.97596	100.0
102.06911	0.6
110.97577	7.6
112.99122	3.2
115.00715	2.0
116.07069	0.6
116.98635	31.0
119.04910	0.6
122.82113	0.6
124.95493	14.6
124.99137	7.3
125.07166	0.8
126.97092	2.1
127.00677	1.6
128.98628	8.0
130.93346	0.6
131.00186	1.9
133.01762	1.8
134.99673	6.8
136.06160	1.0
138.97064	1.0
140.00218	0.9
140.98648	2.6
142.96550	9.5
143.00185	9.1
143.03476	0.9
143.08156	2.9
144.98114	2.0
145.01778	2.9
146.99670	5.8
147.04396	1.0
149.01279	0.7
152.94949	5.9
153.00833	0.6
154.96535	5.5
156.98111	6.2
158.99660	8.7
160.97626	2.5
161.01286	2.8
162.99197	0.8
165.00700	0.7
170.96040	17.0
170.99675	1.1
172.94420	1.1
172.97614	12.4
173.01263	2.3
173.02734	0.5
174.99173	10.9
177.00722	3.8
183.20108	0.6
184.97614	9.8
186.99129	4.1
188.97095	18.5
189.00723	8.4
190.95540	0.6
190.98643	9.0
191.02341	1.8
193.00276	4.8
195.01848	0.5
201.00690	2.9
202.98657	18.7
203.02386	0.6
205.00224	4.3
206.98151	4.8
206.99806	0.6
207.00142	0.6
207.01773	3.5
212.97096	7.9
214.95502	0.6
214.98653	8.2
217.00270	6.0
219.01820	1.4
220.99728	12.8
221.01756	1.0
223.01221	1.2
230.98154	23.6
232.99707	8.7
235.01297	4.0
239.00758	1.6
241.03386	0.6
244.99719	9.7
247.01215	1.2
248.99197	8.9
251.00844	1.4
259.24701	0.5
263.00790	22.1
263.03586	1.2
272.98135	0.6
275.00757	1.3
278.66769	0.6
281.01877	11.8
293.01825	0.8
305.01779	1.6
305.05597	1.3
305.11536	1.0
323.03098	1.3
323.06555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2272
Annotation	Samandarone
Peak:m/z	Relative Intensity
55.05502	0.6
59.05005	3.7
69.07071	11.6
73.06560	4.5
73.40682	0.2
87.08109	2.6
97.06513	0.5
98.09681	0.3
105.07056	0.2
113.44075	0.2
118.06548	12.6
119.07302	0.6
120.08087	0.6
121.08880	0.6
123.04477	0.3
127.03899	0.3
128.42700	0.1
129.09149	0.5
130.16998	0.2
132.08104	5.0
133.08859	2.3
134.09663	1.2
146.09641	4.3
147.04439	0.4
147.10426	0.7
151.03868	0.3
160.11250	0.6
161.12003	0.5
176.14352	66.4
177.14732	0.3
179.47826	0.2
190.15846	0.3
192.82120	0.2
253.90031	0.2
260.16718	0.2
304.05356	0.7
304.22708	100.0
305.22931	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2321
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
51.06744	2.2
51.11899	2.4
53.03931	3.2
55.05518	22.1
57.07088	11.0
57.07304	2.5
59.04984	3.3
62.68180	2.1
67.05512	29.1
69.03405	3.4
69.07074	75.6
69.94832	11.2
70.06596	14.0
71.04980	3.4
71.06908	2.3
71.08616	2.6
79.05495	21.2
81.07065	67.9
83.04971	9.3
83.08594	7.9
85.06488	2.7
88.07640	13.1
89.07935	4.5
91.05476	16.1
93.07048	46.5
95.04970	11.5
95.08067	3.2
95.08617	44.0
97.06495	8.7
97.10162	5.3
102.09090	3.8
105.07040	43.1
106.08635	4.9
107.08596	50.8
109.06503	8.9
109.09483	3.7
109.10164	47.7
111.08138	2.4
111.11729	17.5
112.26499	2.5
113.05904	2.3
117.07015	6.2
119.08592	41.5
119.97705	2.4
121.06477	5.3
121.10150	43.2
122.27615	2.4
123.08089	3.5
123.11729	23.1
131.08537	10.4
133.10136	21.1
135.08032	10.7
135.11702	35.2
137.02310	4.0
137.09650	8.4
137.13275	3.6
139.11177	18.6
139.90262	2.2
143.08545	5.4
145.10123	20.9
147.08017	3.7
147.11700	49.9
149.09554	5.2
149.13266	19.3
151.11145	3.5
153.01869	6.1
157.10120	6.4
159.11705	14.9
161.09645	5.4
161.13266	17.1
162.19514	2.3
162.52682	2.3
163.11195	5.4
163.14827	5.5
165.12737	3.5
171.11674	3.5
173.05983	2.6
173.09395	2.5
173.13324	10.7
175.11220	4.3
175.14827	19.8
177.12779	5.5
185.13205	6.2
187.14807	9.7
189.12750	2.6
189.16435	3.3
191.14284	4.5
193.15863	6.3
197.13223	3.5
199.14714	2.6
201.05559	2.6
201.16345	8.8
203.14293	3.8
203.17917	11.6
208.59912	2.2
211.14882	3.6
215.14264	2.9
221.15442	4.8
227.18085	2.9
229.04974	5.9
229.15857	5.0
243.21158	6.3
252.18288	2.3
255.28825	2.7
257.04379	3.4
257.22650	14.2
267.20935	4.8
285.19260	3.1
285.22168	21.9
285.29727	4.4
303.01587	4.3
303.04990	64.0
303.19720	4.8
303.23245	67.0
303.27139	5.3
303.30847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.232
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03955	2.9
55.02938	2.5
55.05521	18.6
57.07070	4.6
59.04996	3.5
65.03931	3.3
67.05173	3.4
67.05506	33.7
69.03426	4.7
69.07076	73.9
69.28223	11.0
69.28649	11.7
71.04970	2.8
79.05491	16.9
81.06599	3.4
81.07066	64.0
83.04971	4.2
83.08625	9.5
87.05471	2.7
87.92534	2.5
91.05495	18.7
92.19996	2.8
93.07055	47.2
95.04968	13.7
95.08613	43.9
97.06557	6.1
97.10179	6.2
98.20695	5.6
105.07037	38.2
107.08606	50.5
109.06526	7.7
109.09474	4.1
109.10167	52.1
111.11736	13.5
113.05989	4.0
119.08604	38.7
121.06506	9.0
121.10146	37.6
123.04418	2.9
123.08080	3.7
123.11724	17.7
131.08594	10.5
133.10136	28.2
135.08017	4.5
135.11696	45.5
137.02377	5.4
137.05923	2.5
137.09636	4.5
137.13271	5.6
139.11191	11.5
143.08563	5.0
145.10135	23.3
147.08067	3.1
147.11700	50.2
149.09634	5.7
149.13260	9.7
153.01857	10.8
153.09183	3.1
157.10126	5.4
159.11719	12.9
161.09651	9.1
161.13295	18.1
162.48439	2.8
163.11220	4.3
163.14832	3.6
165.01883	3.9
165.12816	5.2
167.10718	3.2
171.11647	5.0
173.09564	3.1
173.13295	12.0
175.14842	19.0
176.14372	4.2
177.12668	3.8
177.16502	3.1
183.11792	3.0
185.13222	2.8
187.14772	12.3
189.16418	4.6
193.15912	5.2
199.14894	4.6
201.05508	4.2
201.12828	2.8
201.16388	9.2
203.14310	3.4
203.17931	16.0
211.14787	6.5
227.17915	4.0
229.05009	9.2
229.15976	4.3
233.15474	5.2
243.17496	3.5
257.04419	6.7
257.22659	15.4
260.05853	3.4
262.21649	3.0
267.21121	3.6
285.18823	4.0
285.22141	21.1
303.05017	100.0
303.16071	3.4
303.19818	4.2
303.23181	63.2
303.26123	2.2
304.23007	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2318
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03941	2.8
55.05513	4.2
57.07063	3.8
58.18009	0.9
65.03932	2.1
67.05502	9.8
69.07066	6.1
69.88598	3.5
70.06586	4.1
71.06947	1.3
71.08629	1.4
75.04482	1.7
79.05497	28.1
81.07057	100.0
82.79765	0.9
83.08624	3.4
85.06530	1.1
87.69563	0.8
88.07644	4.9
91.05482	10.1
93.07042	17.5
95.04954	1.9
95.08607	20.1
97.06503	2.6
98.21476	1.2
102.09163	1.5
105.07031	17.4
106.08659	2.3
107.08588	19.6
109.06508	2.8
109.10159	8.4
111.08112	1.4
117.07015	4.9
119.08590	15.5
121.06512	1.0
121.10130	11.8
123.08054	2.7
123.11713	4.1
125.09617	1.8
128.06277	1.0
129.06990	3.3
130.07822	0.8
131.08556	11.7
133.06563	0.9
133.10132	13.3
135.08032	2.3
135.11723	7.2
137.09612	2.7
137.13286	2.0
141.07002	1.0
142.07780	1.5
143.08554	6.9
145.10133	15.3
147.11705	9.7
149.09602	2.9
149.13234	10.0
151.11208	1.9
153.01811	0.9
153.09129	1.3
155.08516	3.6
157.10147	6.1
159.11690	11.2
161.09590	1.8
161.13239	7.9
163.11131	1.2
163.14842	2.4
167.10698	2.3
169.10114	4.3
171.11685	5.6
173.13272	7.3
175.11110	1.0
175.14833	3.7
177.12766	1.6
180.38959	1.1
181.12280	1.1
183.11673	5.6
185.13280	6.2
187.14787	7.1
189.12813	1.2
189.16426	2.6
191.14349	1.9
197.13274	3.6
199.14839	5.5
201.16417	6.9
203.14270	2.1
204.84283	0.8
205.15829	1.4
211.14899	5.0
213.16458	1.3
215.14259	2.6
217.16019	1.4
221.15303	1.1
222.16200	1.6
225.16396	2.5
227.17990	3.4
229.15942	3.4
229.19557	1.1
230.16684	1.4
239.17990	1.6
243.17441	1.1
243.21060	2.0
245.19029	2.4
255.21129	2.0
257.22650	2.8
267.21054	8.4
268.19272	0.9
285.22113	18.0
285.29782	2.8
303.05054	4.7
303.19696	1.7
303.23221	27.5
303.30872	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2321
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03956	3.1
55.05517	9.6
55.21478	1.3
57.07072	2.3
65.03938	2.0
67.05508	12.9
69.07075	9.8
71.05032	1.9
71.52583	2.4
79.05502	27.6
81.07065	100.0
83.04996	11.4
83.08613	5.8
85.06534	1.6
91.05487	13.6
93.07055	27.3
95.04971	3.2
95.08615	30.1
97.06541	2.3
97.10136	2.6
98.97582	1.3
105.07039	31.5
107.08607	30.5
109.06521	3.7
109.10166	15.4
111.08071	2.9
115.05451	1.9
117.07016	7.3
117.07760	1.2
119.08595	26.5
121.06557	2.4
121.10145	16.8
123.08091	3.3
123.11748	6.6
125.09637	3.5
128.06258	1.7
129.07028	4.6
130.07793	1.5
131.08588	20.3
133.10139	18.6
135.08035	3.3
135.11694	8.9
137.09679	1.6
139.07532	1.6
141.07014	1.8
142.07785	2.2
143.08589	11.1
145.10146	22.5
147.08014	1.8
147.11713	16.0
149.09657	3.8
149.13274	17.1
153.09259	1.4
155.08572	5.5
156.09387	2.6
157.10129	13.3
159.11710	15.6
161.09607	2.5
161.13301	10.6
163.14813	2.8
169.10149	9.1
170.10863	2.5
171.11723	10.7
172.12321	1.3
173.13271	10.8
175.11250	2.9
175.14809	8.2
177.12799	1.7
182.11015	1.3
183.11703	8.1
185.13261	10.9
187.14865	6.3
189.12831	1.5
189.16367	3.0
191.14325	2.4
196.12509	2.5
197.13298	7.2
199.14810	7.4
201.12767	3.2
201.16400	7.6
203.14290	3.4
203.18025	2.4
211.14809	6.4
213.16418	3.3
215.14270	3.1
215.17990	2.2
225.16379	3.1
227.18040	8.0
229.15952	3.8
229.19518	2.1
239.17996	2.2
241.19499	3.0
243.17412	1.9
243.21101	2.0
255.21162	5.9
257.22696	7.9
267.21133	14.7
285.22168	35.1
303.05011	11.1
303.19415	5.8
303.23151	41.1
303.30896	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
51.02370	0.8
53.02856	0.7
53.03939	2.2
55.01849	2.2
55.05511	7.5
57.07076	4.3
65.03925	1.2
67.05177	1.1
67.05508	15.4
69.03426	2.5
69.07069	10.8
69.72325	3.6
70.06594	1.2
71.04978	1.6
78.98396	0.6
79.05496	20.2
81.07060	37.0
83.04980	1.8
83.08627	4.1
85.06539	1.6
85.10181	0.8
86.13694	0.6
91.05480	15.9
93.07047	54.6
95.04980	6.0
95.08611	30.2
97.06531	7.3
97.10175	1.6
99.08069	1.4
103.58335	0.7
105.04533	0.9
105.07034	28.2
106.08762	0.7
107.04946	2.5
107.08600	57.5
108.05780	0.8
109.06522	11.5
109.10157	18.1
111.08077	2.1
115.05417	1.2
117.07008	6.7
119.08586	20.4
121.06512	7.8
121.10146	26.6
123.07201	1.3
123.08069	19.8
123.11716	10.0
124.69222	0.7
125.09629	1.9
128.06274	1.0
129.07008	2.7
130.07809	0.8
131.08571	16.8
133.06520	1.7
133.10136	14.8
135.08066	13.2
135.11708	9.5
137.09628	12.3
137.13260	6.6
141.06935	0.9
142.07823	0.8
143.08577	6.3
145.10121	14.9
147.08087	2.5
147.11687	14.1
149.09654	6.7
149.13266	53.3
153.09111	12.1
154.07797	0.8
155.08546	3.0
155.10680	0.7
156.09392	1.9
157.10120	7.1
158.10843	1.0
159.08063	1.0
159.11717	12.2
161.09642	3.1
161.13271	7.6
163.11177	4.2
163.14838	4.4
167.10680	13.7
168.09409	0.7
169.10150	4.9
171.11697	7.2
173.09685	1.0
173.13287	9.0
175.11275	3.3
175.14799	4.1
177.12691	2.0
177.16400	1.4
181.10327	0.7
181.12125	1.2
183.11685	4.4
185.13278	5.5
187.11182	0.8
187.14847	11.8
189.12750	2.3
189.16382	8.6
195.11665	0.7
196.12509	1.1
197.13266	4.2
199.14882	4.2
201.12756	1.1
201.16417	8.6
203.14276	2.4
203.17953	3.3
205.15823	1.1
207.13789	0.7
211.14861	6.7
213.16330	1.7
215.14317	4.0
215.17958	2.6
217.15958	0.7
225.16396	3.3
227.17923	8.1
229.15878	5.3
229.19597	1.6
233.15463	1.5
237.20073	0.6
239.17998	1.9
241.19501	2.2
243.17502	3.1
243.21094	5.9
245.19025	18.8
247.16933	0.9
252.59674	0.7
255.21091	6.5
257.18655	0.9
257.22696	6.5
267.21066	14.3
273.22183	3.1
285.22141	33.5
303.04965	2.7
303.23196	100.0
304.23431	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0502
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01870	0.3
55.05508	0.4
65.03931	0.7
67.01859	0.2
67.05492	0.7
68.99503	0.2
68.99802	1.7
69.03428	0.2
69.07059	0.3
69.64263	1.2
77.88269	0.2
79.05486	0.4
81.03426	0.4
81.07069	1.1
83.04926	0.2
83.08612	0.3
85.06535	0.2
91.05506	0.5
92.05009	0.3
93.03394	0.6
93.07040	0.8
95.04987	0.9
95.08619	0.6
97.06521	0.4
103.05449	0.2
105.07016	0.7
107.04985	0.4
107.08593	0.3
109.02889	0.9
109.06535	0.2
109.10162	0.2
111.00824	1.6
117.07012	0.4
119.08580	0.6
120.04443	0.3
121.02884	1.7
121.06486	0.4
121.10220	0.3
121.61665	0.2
123.04427	0.8
123.11734	0.2
127.03938	0.4
128.06219	0.2
129.07088	0.2
131.04875	0.3
133.02928	0.2
133.10088	0.3
135.04416	0.5
137.02357	6.1
137.03395	0.3
137.05933	0.2
138.05528	3.0
138.09149	1.4
139.07533	0.4
145.06480	0.5
145.10075	0.2
147.04362	0.2
147.11739	1.0
148.03973	0.2
149.02341	0.5
153.01840	8.7
155.04915	0.9
157.06462	0.3
161.05995	0.6
161.13153	0.3
163.03920	1.1
165.01860	3.5
165.12822	0.3
166.02721	0.5
166.05013	4.8
173.05994	1.1
175.11139	0.3
177.05515	0.4
178.04890	0.2
179.03380	0.4
183.02895	1.5
183.04439	0.7
187.03947	1.0
189.12715	0.2
191.03442	0.3
193.12163	0.2
195.02917	0.4
201.05486	4.4
205.04951	0.4
207.02968	0.3
211.03845	0.4
212.10739	0.5
213.05498	0.3
214.12379	0.2
215.03439	0.3
217.12280	0.3
219.06529	0.5
228.04155	0.8
229.04993	7.8
229.13394	0.3
230.11606	0.3
235.13315	0.2
239.03438	0.2
239.11777	0.3
240.10320	0.4
242.11873	0.4
247.06035	1.1
256.08441	0.4
257.04501	4.5
257.09058	0.4
257.12869	1.9
259.05972	0.2
260.12848	0.4
267.11331	0.7
267.16022	0.5
272.11572	1.7
274.04691	1.4
274.09299	1.0
275.05536	0.6
275.10150	0.2
275.13901	0.8
285.04028	2.2
285.12372	3.1
285.15570	0.2
285.16977	0.5
303.05020	100.0
303.13303	14.2
304.05307	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.0
52.23265	0.0
53.00327	0.0
53.03950	0.1
55.01875	0.3
57.03430	0.0
62.02699	0.0
65.03947	0.5
66.82381	0.0
67.01868	0.3
67.05502	0.2
68.99796	1.9
69.03429	0.1
69.07104	0.0
69.64951	0.0
70.68367	0.1
71.01358	0.1
77.03951	0.0
78.10008	0.0
79.05502	0.0
81.02982	0.1
81.03427	0.7
81.07072	0.1
83.01372	0.1
84.89289	0.0
91.05496	0.2
93.03414	0.6
93.07021	0.1
95.01364	0.1
95.04975	0.7
95.08624	0.1
96.02144	0.0
97.02910	0.1
103.05457	0.1
105.03387	0.3
105.07041	0.2
107.01307	0.1
107.04971	0.3
107.08567	0.1
109.02884	1.0
109.10153	0.1
110.03665	0.1
111.00811	1.9
111.04459	0.1
112.11163	0.0
115.05447	0.2
117.07047	0.3
119.04929	0.1
121.02880	1.8
121.06490	0.1
121.33472	0.0
122.03690	0.0
123.04441	0.7
125.02357	0.1
126.03095	0.0
127.03941	0.4
127.05396	0.0
128.06236	0.1
129.07007	0.1
131.04935	0.3
133.02844	0.3
133.06508	0.1
135.04427	0.4
137.02356	7.1
137.03397	0.4
137.05885	0.2
139.03894	0.1
139.05420	0.1
143.04968	0.1
145.02864	0.2
145.06490	0.6
147.04420	0.1
149.02356	0.9
149.06007	0.1
150.03111	0.1
150.71826	0.0
151.03955	0.3
151.07579	0.0
152.01013	0.0
153.01839	10.0
154.02252	0.1
155.04927	0.9
155.06073	0.1
157.06465	0.2
159.04384	0.2
160.05138	0.1
161.02333	0.1
161.06006	0.6
162.05371	0.0
163.03928	1.3
165.01851	3.9
166.02655	0.5
167.03471	0.1
171.02921	0.1
171.04323	0.1
173.02342	0.1
173.05997	1.4
177.01883	0.2
177.05478	0.2
179.03416	0.4
179.90735	0.0
183.02904	1.4
183.04463	0.8
185.05980	0.1
187.03911	0.9
188.04697	0.0
189.05544	0.1
191.03450	0.3
191.07007	0.2
193.01376	0.1
193.04993	0.1
194.02148	0.1
195.02898	0.5
199.04048	0.1
200.04681	0.1
201.05482	4.2
202.05899	0.0
203.03365	0.2
204.04198	0.1
205.01251	0.1
205.04935	0.4
207.02908	0.3
211.03902	0.3
213.05533	0.3
215.03362	0.2
216.04100	0.0
217.05049	0.1
219.03044	0.3
219.06528	0.4
228.04230	0.6
229.04974	9.0
230.05435	0.1
231.02890	0.1
232.03735	0.2
233.04485	0.1
239.03528	0.5
243.02951	0.1
245.04495	0.2
246.05261	0.2
247.06039	1.3
256.03687	0.1
257.04471	5.1
258.05081	0.1
261.04074	0.1
267.02905	0.1
274.04761	1.3
275.05469	0.4
279.04745	0.0
285.03967	2.2
286.04672	0.1
302.04446	0.1
303.05005	100.0
304.05344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01861	0.3
65.03937	0.5
67.01860	0.2
68.99448	0.1
68.99792	1.7
69.03418	0.1
69.49940	0.3
69.50361	0.4
81.03412	0.5
93.03410	0.6
95.04957	0.8
98.21541	0.2
103.05440	0.1
105.03400	0.2
109.02863	0.7
110.03624	0.1
111.00807	1.6
111.04494	0.1
112.67803	0.1
115.05456	0.2
117.07020	0.3
121.02879	1.8
123.04431	0.5
127.03917	0.2
129.06992	0.2
131.04944	0.3
133.06462	0.1
135.04420	0.4
137.02353	7.1
137.03387	0.4
145.06461	0.6
149.02368	0.8
153.01833	8.5
155.04927	0.7
155.06071	0.2
157.06514	0.1
159.04407	0.3
161.05975	0.4
163.03912	1.1
165.01846	3.5
166.02632	0.4
173.02521	0.1
173.06012	1.3
177.01837	0.2
177.05479	0.2
179.03464	0.2
183.02893	1.3
183.04446	0.8
185.06012	0.1
187.03947	0.9
191.03383	0.3
191.07027	0.2
194.02068	0.1
195.02892	0.4
201.05475	3.8
205.04979	0.3
211.03906	0.4
213.05539	0.2
215.03403	0.2
217.04987	0.1
219.02921	0.3
219.06554	0.5
228.04205	0.6
229.04980	8.0
232.03696	0.2
239.03358	0.4
243.02704	0.1
245.04486	0.2
247.06042	1.2
257.04465	5.0
267.91293	0.1
274.04816	1.2
275.05469	0.3
285.03943	2.1
286.04709	0.1
302.04205	0.1
303.05002	100.0
304.05396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05592	0.2
59.60065	0.2
65.03938	0.3
66.61511	0.2
67.01872	0.2
68.99784	1.8
70.73276	0.5
81.03416	0.6
91.05484	0.2
93.03397	0.5
95.04951	0.4
101.20116	0.2
105.07044	0.2
109.02879	0.8
111.00819	1.7
117.07095	0.2
121.02866	2.1
123.04444	0.6
131.04901	0.2
135.04411	0.3
137.02347	6.4
137.03416	0.6
145.06479	0.6
146.03279	0.2
149.02347	0.7
153.01825	9.4
155.04889	0.7
159.04427	0.3
161.06046	0.5
163.03896	1.1
165.01834	3.7
166.02626	0.3
173.05989	1.3
177.01906	0.2
177.05440	0.2
179.03383	0.2
183.02884	1.4
183.04408	1.0
183.45851	0.2
187.03902	0.9
191.03413	0.3
195.02919	0.3
201.05478	3.6
205.05043	0.4
213.05493	0.3
219.06555	0.5
224.68333	0.2
228.04178	0.5
229.04965	8.5
239.03358	0.5
247.05923	1.2
257.04456	5.0
274.04733	1.2
275.05502	0.3
285.03952	2.4
286.81909	0.2
303.04984	100.0
304.05402	1.0
306.59033	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01869	0.2
60.33706	0.1
65.03951	0.4
65.55740	0.1
67.01859	0.2
68.99799	1.8
69.03440	0.2
70.92614	0.4
71.39636	0.2
81.03412	0.6
91.05492	0.2
93.03400	0.7
95.04980	0.8
105.03421	0.2
107.04980	0.3
109.02898	0.9
111.00806	1.7
115.05496	0.2
117.07013	0.4
119.04868	0.2
121.02888	2.1
123.04419	0.6
127.03921	0.3
128.29543	0.2
131.04965	0.3
133.06506	0.2
135.04430	0.6
137.02351	6.9
137.03372	0.3
145.06499	0.5
149.02330	1.0
153.01846	9.2
154.48941	0.2
155.04903	0.7
159.23523	0.2
161.05994	0.6
163.03909	1.1
165.00546	0.3
165.01854	4.0
166.02638	0.6
173.06003	1.4
177.01814	0.2
179.03365	0.2
183.02895	1.3
183.04431	0.7
187.03943	0.8
191.03484	0.2
191.07036	0.3
195.02971	0.4
197.02217	0.2
201.05489	3.9
205.04941	0.3
211.03931	0.3
213.05545	0.4
215.03447	0.3
219.02907	0.2
219.06516	0.5
228.04242	0.5
229.04982	8.4
232.03691	0.2
239.03513	0.3
245.04495	0.2
247.06062	1.3
257.04483	4.8
274.04718	1.2
275.05417	0.3
285.03967	2.3
303.05011	100.0
304.05353	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01872	0.2
62.32000	0.1
65.03944	0.2
67.01871	0.9
68.99790	1.1
69.03408	0.1
70.69055	0.4
81.03398	0.2
81.07027	0.2
89.64397	0.1
91.05479	0.2
93.03394	0.3
93.07018	0.2
95.04941	0.3
95.34500	0.1
105.03399	0.4
105.07004	0.2
107.08564	0.2
108.52952	0.1
109.02869	0.2
111.00800	0.7
117.07023	0.2
121.02861	0.9
123.04424	0.4
127.03900	0.1
129.01906	0.2
129.75122	0.1
133.02852	0.7
135.04453	0.2
137.02350	2.3
137.03377	0.1
145.06517	0.2
149.02321	0.3
151.03902	1.7
153.01833	8.6
155.04897	0.2
161.06013	0.3
163.03943	0.3
165.01819	1.2
166.04956	0.1
171.02917	0.2
173.02420	0.3
173.05962	0.5
177.01816	0.5
177.05435	0.1
179.03418	0.1
183.02843	0.4
183.04427	0.4
187.03963	0.3
191.03320	0.2
195.02890	0.4
201.05478	1.6
203.03374	1.3
211.03816	0.2
213.05568	0.2
215.03328	0.1
219.02847	0.1
219.06532	0.2
228.04077	0.3
229.04973	3.9
229.13463	0.3
247.06046	0.4
257.04465	3.5
257.12854	0.9
274.04645	0.5
275.05118	0.7
284.27954	0.1
285.03958	1.5
285.12296	0.2
286.04807	0.2
288.05200	0.2
303.04990	100.0
304.05322	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24680	0.2
56.96573	1.9
71.52159	0.3
71.95270	0.4
73.92907	0.2
79.55161	0.2
82.99398	0.2
82.99849	0.4
86.29095	0.2
98.97598	18.7
99.97935	1.4
100.97209	0.7
100.98010	0.3
101.00896	2.9
101.97187	0.2
102.96887	1.0
112.65213	0.2
116.98637	9.8
117.98949	0.5
118.98286	0.4
118.99056	0.4
119.01154	0.3
119.01939	4.3
120.97900	0.4
124.43761	0.2
134.99684	2.4
137.02983	0.7
140.00229	0.2
140.98854	0.6
153.00749	0.2
158.99928	1.8
163.75269	0.2
165.99718	0.3
172.94330	0.6
174.97656	0.7
175.02975	0.2
177.00975	10.5
178.01103	0.6
182.99950	0.8
190.95424	0.4
192.98750	0.4
201.00917	2.1
216.98724	0.6
217.04099	2.8
218.03763	0.4
219.02028	18.0
220.02116	1.2
221.01805	0.4
225.00894	2.4
231.00282	0.6
232.96381	0.2
234.99844	0.8
236.96109	0.2
242.03500	0.2
243.02017	12.0
244.02165	0.5
249.01382	0.8
259.00018	0.3
260.00183	0.2
260.99887	5.1
261.03082	100.0
261.97125	0.9
261.99969	1.5
262.03207	6.4
262.99133	0.2
263.03326	0.8
266.03366	0.2
271.90863	0.2
277.00909	0.2
278.97055	0.8
279.00616	5.3
279.98138	5.2
280.01120	1.7
283.00000	0.6
284.01474	0.3
284.04639	2.4
284.99844	1.8
285.04675	0.4
296.97958	0.2
297.98813	0.7
298.07230	0.2
301.01044	0.7
302.02011	0.3
302.97083	0.6
303.00812	2.0
303.04587	2.8
320.97983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
54.03464	1.1
55.01865	1.1
56.96568	6.4
57.03439	2.6
61.02933	4.2
69.03434	6.6
70.02454	2.2
70.98110	1.2
71.04969	1.0
71.95219	0.4
73.02923	2.8
75.04472	0.5
75.94534	0.4
81.03419	1.9
81.04543	37.5
82.06580	0.5
84.96011	0.5
85.02911	10.2
86.09689	0.6
87.04477	1.4
89.28557	0.4
91.03936	0.9
91.75899	0.4
97.02888	5.0
98.97588	16.1
99.04472	1.0
101.00858	1.4
102.96405	0.4
102.96888	4.4
109.02895	1.2
110.97575	1.1
112.99142	0.6
113.00862	0.4
115.02406	0.5
116.98640	3.7
119.01885	1.2
120.97910	1.5
122.06116	1.8
122.07159	29.8
124.08693	0.9
124.99144	0.8
127.03906	4.3
128.98643	1.0
130.93288	0.6
131.00203	0.6
131.01910	1.2
131.03720	0.5
133.01564	0.5
133.03476	0.6
134.99673	0.8
140.08191	100.0
141.08549	0.5
143.00168	1.0
143.01903	1.3
145.04976	2.2
146.99643	0.5
147.04395	1.2
152.07036	1.2
155.01852	0.9
158.99649	1.4
159.05067	0.8
161.01299	0.5
161.02933	0.9
167.05600	0.5
168.99794	0.6
170.99730	0.9
171.01276	0.5
171.05042	0.6
172.94385	1.7
173.01387	0.6
173.03008	1.5
174.99211	0.7
177.00768	1.0
183.02147	0.5
187.00888	0.8
187.04526	0.6
189.00769	1.7
190.95461	1.1
192.04819	0.5
196.03973	0.7
201.00890	0.7
207.01750	1.2
212.05243	0.7
212.07161	1.6
212.57167	0.4
213.03375	0.9
214.95445	0.4
215.00385	1.3
219.01799	1.2
221.05348	0.7
228.76280	0.5
232.99922	0.5
236.95807	0.6
245.05014	0.4
247.03014	1.0
251.00728	0.8
253.51213	0.7
256.05139	0.6
260.00009	0.4
260.95822	1.4
260.99481	1.2
261.08154	1.1
274.97714	0.8
277.05933	0.5
278.96844	8.0
279.00101	0.8
279.09271	1.6
289.04126	0.8
296.97839	3.4
297.06509	0.8
302.13480	95.0
303.13849	1.0
321.10266	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
56.96301	0.7
56.96568	9.4
57.03424	0.7
57.07060	0.7
67.05499	0.7
69.03425	1.7
69.26901	5.0
70.06595	11.8
72.08167	1.3
73.02911	0.9
79.05489	1.3
81.03417	2.6
81.05780	0.9
84.04487	1.1
84.08148	1.4
85.02895	4.8
86.09666	0.9
91.05483	2.0
94.06570	13.3
95.04967	0.9
95.07352	4.2
96.08131	3.7
97.02884	1.8
98.06046	1.4
98.12415	0.5
98.97586	6.9
101.46922	0.5
107.04927	1.7
109.02850	0.9
110.97568	1.6
112.07609	2.8
116.98616	2.8
119.04916	0.9
121.06546	0.9
122.06022	8.0
124.99104	1.3
127.03939	2.0
128.98601	1.4
129.02228	0.8
134.06020	2.2
134.99710	1.0
135.04396	1.2
138.05478	5.3
138.09161	1.2
139.03903	1.9
139.05853	0.9
140.07071	100.0
143.00188	2.1
145.05013	0.7
146.99649	1.1
147.03392	0.8
147.04393	3.8
149.04836	0.7
152.07050	4.7
152.98643	0.8
158.08084	1.1
158.99684	2.0
159.01265	0.7
159.85658	0.6
161.01242	1.0
163.03886	5.8
164.07079	1.2
165.05452	0.8
169.01649	0.6
170.99661	1.0
174.33510	0.6
177.00697	1.7
182.03413	0.7
189.00691	1.7
191.02281	0.7
197.01268	1.2
201.00758	0.6
207.01868	1.3
212.06229	1.9
213.00636	0.8
219.01729	3.7
221.06798	2.7
231.01764	0.8
237.02861	1.7
253.07495	1.5
259.05359	0.8
261.02844	1.4
263.92847	0.6
271.08624	0.7
273.08984	2.8
279.07605	2.3
285.08932	0.9
287.05093	1.7
297.06467	2.3
302.07455	3.2
302.12244	9.1
321.08511	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67789	0.8
53.03941	1.6
55.01865	0.9
57.03433	3.2
61.02925	2.7
65.03945	1.7
67.05507	27.1
69.03432	14.7
69.07071	22.3
70.06588	1.0
70.98597	1.9
71.04987	1.2
72.08167	1.3
73.02942	0.8
81.03416	5.8
81.07072	1.0
84.04504	0.8
84.08144	2.7
85.02909	39.8
86.09712	2.8
94.06581	1.5
95.04973	37.6
96.04526	0.8
97.02895	31.0
97.03529	1.7
97.06529	1.2
99.04475	1.8
103.03952	2.4
109.02885	6.9
112.07613	31.7
113.06008	3.0
122.06036	3.3
122.06844	0.8
123.04440	0.9
124.07605	3.6
127.03945	7.6
135.89200	0.7
136.07564	2.0
137.05989	1.3
140.07071	100.0
145.04990	4.3
147.04315	1.0
150.09061	1.3
152.07053	1.9
154.08661	4.6
163.05963	0.9
171.90367	0.9
178.08633	2.0
182.08130	52.1
202.53821	0.7
206.08142	11.8
208.09773	1.8
218.08093	1.7
236.09160	2.5
248.09230	9.0
266.10043	1.0
284.11127	1.6
302.07346	3.0
302.12485	4.2
303.04932	6.1
307.94098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01879	1.3
55.05500	1.5
57.03424	3.5
59.82605	1.0
61.02924	5.7
61.58854	1.1
62.86911	1.1
65.03919	1.4
67.05488	7.1
69.03430	13.2
70.06583	1.9
70.96671	1.9
71.05000	1.3
72.08157	14.7
72.57911	1.3
73.02905	3.0
73.63838	1.1
79.05489	5.5
81.03419	7.4
81.07051	8.0
84.08154	1.6
85.02909	86.7
86.09215	1.6
86.09707	16.3
87.82214	1.2
91.03943	1.7
91.05479	2.5
93.05772	2.0
94.06545	1.5
95.04972	3.5
96.04545	1.8
97.02894	45.3
97.06549	2.3
98.90109	1.2
99.04436	2.8
103.03937	6.3
105.07034	1.3
108.04461	1.3
108.08124	16.4
109.02882	16.0
109.06532	1.5
110.06047	2.6
122.06013	8.7
123.21674	1.1
124.07636	1.3
125.05987	6.3
126.05508	6.9
126.09155	4.3
127.03920	17.7
134.42978	1.4
136.07574	19.2
140.07068	51.1
143.11795	10.0
145.04956	14.5
150.07983	1.1
150.09145	5.0
152.07053	20.3
154.08672	7.4
157.13356	7.5
158.16479	1.1
163.06007	2.7
164.07059	24.3
171.11311	5.7
178.08626	18.7
182.08136	100.0
185.12828	5.7
206.08136	42.2
206.10091	2.4
218.08218	5.5
223.12456	1.1
230.08104	1.6
236.09123	4.2
248.09186	10.2
302.07288	3.4
302.21982	1.5
303.04944	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	301.2164
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
50.72760	0.6
53.03946	1.1
55.05518	5.5
56.83016	0.6
57.03413	1.0
57.07068	2.3
61.02917	1.1
65.03923	0.8
67.05505	9.4
69.03423	2.1
69.07074	4.7
71.04992	1.7
71.26267	1.2
77.03879	0.7
79.05495	7.2
81.03445	1.2
81.07066	15.6
83.04987	2.2
83.08606	2.5
85.02889	1.5
86.56523	0.6
91.03981	0.8
91.05489	10.4
93.07050	20.1
95.05025	3.2
95.08619	13.9
97.06549	3.5
97.10153	1.0
99.04447	1.5
99.08077	1.8
103.05426	0.6
105.07039	21.9
106.20786	0.7
107.04958	1.1
107.08605	18.9
109.06509	9.2
109.10165	12.6
111.04390	0.9
111.08088	1.5
117.07038	3.3
119.08589	15.8
121.06513	21.4
121.10161	11.5
123.08078	4.1
123.11724	3.2
124.01568	1.2
125.09683	1.3
128.06238	1.1
129.06999	3.4
130.07742	0.8
131.08572	11.9
133.06564	1.4
133.10141	13.4
135.04413	1.3
135.08070	7.3
135.11703	6.7
137.09637	6.0
137.13269	0.8
141.07010	1.1
142.07770	1.3
143.08554	11.0
144.09366	1.3
145.06454	1.0
145.10127	13.6
147.08086	3.3
147.10532	0.8
147.11696	15.9
149.09599	4.7
149.13242	2.9
153.09067	1.0
155.08530	3.0
156.09377	1.4
157.10150	10.4
159.08049	1.8
159.11705	9.6
161.02338	1.0
161.09592	3.7
161.13269	5.1
163.11150	2.4
165.07043	0.9
165.09241	0.7
167.03412	3.5
167.08554	1.0
167.10690	5.3
169.10135	3.8
170.10941	0.8
171.08015	0.8
171.11688	6.6
172.12526	0.7
173.09645	3.7
173.13266	6.1
175.11215	2.4
175.14804	1.5
177.12726	1.1
179.08562	0.8
181.10258	1.5
182.10896	0.9
183.11710	4.6
184.12419	0.7
185.13310	8.5
187.11238	2.3
187.14836	6.7
189.12759	2.8
191.14346	1.4
193.12224	0.7
195.11650	3.1
197.13292	3.9
199.11172	1.8
199.14853	8.5
201.12724	0.9
201.16409	6.7
203.03419	0.7
203.14395	1.2
203.17917	1.3
209.13293	3.0
211.14857	2.4
211.82468	0.7
213.12755	2.7
213.16411	2.8
215.14383	1.5
217.15926	0.9
223.14857	1.4
225.16426	5.5
227.14302	4.5
227.17926	0.7
229.05000	1.1
237.16435	1.7
239.17961	1.4
241.15750	1.5
241.19537	5.1
243.17442	4.8
245.15413	5.2
253.19458	4.1
255.21126	6.6
258.05270	21.5
265.19495	3.9
271.20624	5.5
283.20593	18.4
286.04742	16.4
301.07077	100.0
301.21622	80.4
302.07367	1.4
302.21948	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
50.99629	0.6
53.03939	0.9
55.01861	1.0
55.05514	6.4
56.15582	0.6
57.03421	1.1
57.07069	2.0
65.03925	1.0
67.05509	8.6
69.03416	2.6
69.07066	5.7
70.65984	1.3
70.66324	1.5
71.04976	2.3
79.05502	8.2
81.07058	19.7
83.04964	1.8
83.08616	2.3
85.06522	0.8
89.73749	0.6
91.05480	9.9
93.07047	19.7
95.04963	4.0
95.08614	16.7
97.06526	3.5
98.97586	8.9
99.04440	2.1
99.08121	1.6
103.05462	0.7
105.07034	23.2
107.04955	1.9
107.08598	19.0
109.06516	5.0
109.10165	11.2
111.08073	3.2
116.98609	2.4
117.07027	3.8
119.08585	16.9
121.01363	0.6
121.06503	11.8
121.09337	0.9
121.10149	10.0
123.08067	5.9
123.11718	4.8
125.09679	0.7
128.06227	1.8
129.06995	3.8
131.08562	12.2
133.06500	1.9
133.10136	13.2
135.08057	6.9
135.11699	6.8
137.05949	2.0
137.09604	6.1
141.06963	0.9
142.07753	2.3
143.08571	12.5
144.09305	0.8
145.06454	1.4
145.09056	1.3
145.10132	17.3
147.08098	3.7
147.11697	15.7
149.09583	3.8
149.13264	2.7
151.07527	1.4
151.11157	0.9
153.09061	1.6
155.08511	3.4
156.09352	2.9
157.10129	12.6
158.99667	2.8
159.08025	1.9
159.11679	11.1
161.09621	4.7
161.13242	5.0
163.11145	1.9
165.09172	1.5
167.08623	1.5
167.10669	2.2
168.09302	0.9
169.10120	6.5
170.10841	1.3
171.08049	1.8
171.11707	8.7
173.09644	3.3
173.13286	5.8
175.11209	4.5
175.14777	2.0
177.00684	1.8
177.12735	2.0
179.08638	0.8
179.10634	0.8
181.10100	2.7
183.11693	4.6
184.12581	0.8
185.09627	2.3
185.13258	9.7
187.11237	3.4
187.14790	6.3
189.12732	1.6
191.10674	0.8
193.12267	0.9
194.10922	1.1
195.11641	2.0
196.12489	0.9
197.13203	4.5
199.11177	1.8
199.14789	6.8
200.15465	0.9
201.12767	1.8
201.16403	7.1
203.14281	2.2
203.17972	1.1
207.13887	0.8
209.13235	3.7
211.14835	1.6
213.12759	1.9
213.16336	4.9
215.17909	0.7
223.14787	2.4
225.16382	6.0
227.14336	5.1
227.17999	0.9
229.15884	1.4
231.17433	0.8
239.17978	1.1
241.15900	1.5
241.19513	7.4
243.17450	5.5
245.15395	4.8
253.19543	3.4
255.17662	0.7
255.18509	0.9
255.21068	7.2
258.05222	8.2
259.20490	0.8
260.11560	1.4
265.19458	5.7
269.12222	10.6
269.62195	1.3
271.20654	6.7
273.22141	1.2
278.12692	2.5
280.63004	2.5
283.20584	22.3
286.04706	12.4
297.67938	0.7
301.03680	1.0
301.07065	25.4
301.10034	1.4
301.21619	100.0
302.22104	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03944	2.2
53.22491	1.0
53.50939	1.1
55.05513	7.2
57.07069	2.4
61.02932	1.1
65.03916	1.0
67.05513	9.8
69.03423	1.8
69.07076	6.3
70.63690	2.6
71.04999	2.2
79.05493	10.1
81.07067	19.3
81.92041	1.0
83.04995	2.7
83.08607	2.4
85.02888	1.5
91.05480	11.5
93.07045	23.2
95.04958	3.8
95.08605	14.6
97.02917	1.2
97.06512	4.6
97.10172	1.0
99.04449	2.0
99.08080	1.5
105.07036	23.6
107.08598	21.6
109.06512	9.5
109.10159	13.7
111.08060	2.1
117.07034	3.3
119.08591	19.3
121.06510	26.9
121.07381	1.5
121.10146	13.2
123.08060	4.6
123.11708	3.0
125.09600	1.6
126.47745	0.9
128.06244	1.4
129.07010	4.0
131.08568	13.0
133.10153	16.2
135.08044	8.1
135.11716	7.1
137.09604	5.9
141.07022	1.0
142.07794	1.9
143.08572	14.4
144.09286	1.0
145.06487	1.1
145.10138	16.6
146.07172	1.0
147.08047	3.3
147.11691	19.0
149.08499	1.0
149.09618	3.7
149.13271	2.7
155.08588	3.7
156.09335	1.7
157.10152	9.2
159.08066	2.0
159.11708	9.6
161.09644	3.5
161.13290	3.6
163.11145	1.3
163.14803	1.4
167.03412	2.6
167.10710	6.9
169.10147	4.1
170.10915	2.2
171.08096	1.8
171.11684	7.8
173.09680	3.0
173.13271	6.3
175.11214	1.4
175.14815	1.3
177.12801	1.5
180.09482	1.1
181.10100	1.6
183.11742	6.0
185.09665	1.6
185.13268	9.5
187.11150	2.4
187.14827	5.2
189.12703	1.8
191.14302	1.2
195.11731	1.7
197.13292	4.3
199.11232	2.9
199.14792	7.9
201.12901	2.2
201.16389	6.6
203.14352	1.2
203.17957	1.7
209.13341	4.9
210.14120	1.0
211.14845	3.2
213.12749	2.2
213.16371	2.8
215.14288	1.5
223.14757	1.6
225.16396	4.4
227.14302	3.1
229.04994	1.4
239.17984	1.5
241.15884	2.1
241.19508	5.9
243.17548	4.7
245.15427	5.6
253.19427	5.6
255.21159	6.4
258.05240	23.3
265.16592	0.9
265.19470	5.4
271.20648	7.5
283.20566	20.0
286.04721	24.5
301.07068	100.0
301.21628	87.4
302.07599	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03940	2.5
53.86326	1.2
55.01870	1.2
55.05521	8.8
57.03438	1.5
57.07067	3.5
62.35268	1.2
65.03942	1.4
67.05510	13.3
69.03403	1.7
69.07079	7.6
69.71849	5.9
71.04982	2.3
79.05499	19.5
81.07063	57.8
83.04996	1.6
83.08630	3.4
84.16518	1.5
91.05478	14.4
92.30909	1.1
93.07052	28.0
95.04982	6.6
95.08615	31.3
97.06529	7.2
97.10186	2.0
98.21506	1.7
99.04477	3.0
103.05482	1.1
105.07037	36.7
107.08601	30.0
109.06520	7.5
109.10167	12.2
111.04433	2.1
111.08083	3.3
113.06018	2.9
117.07021	4.5
119.08591	25.9
121.06541	6.4
121.10152	18.7
123.08085	11.3
123.11705	2.7
125.06004	5.5
125.09647	1.8
128.06235	1.7
129.07022	6.1
130.07800	1.5
131.08563	23.0
133.06509	1.9
133.10152	22.7
135.08092	5.7
135.11684	7.7
137.09608	3.4
137.13268	1.7
141.07036	1.6
141.13126	1.1
142.07819	4.2
143.08568	11.4
145.10133	24.1
147.08040	4.9
147.11674	17.3
149.09653	3.1
149.13283	9.3
151.07532	4.5
155.08641	6.0
156.09315	2.7
157.10143	15.1
158.10982	1.6
159.08047	2.0
159.11720	18.4
161.09697	3.3
161.13249	11.3
163.11197	3.1
163.14745	1.8
165.09106	3.3
167.08539	2.2
169.10127	7.2
170.10887	1.7
171.11694	11.1
173.09650	3.5
173.13266	8.0
175.11200	4.0
175.14838	3.1
177.09071	1.5
177.12732	1.8
179.10683	1.4
181.10170	2.2
182.10910	1.7
183.11697	5.2
185.09723	2.0
185.13240	15.3
187.11235	2.6
187.14827	11.6
189.12732	4.3
189.16414	4.5
191.10524	1.6
193.12253	6.6
195.11725	2.8
197.13318	4.7
199.11143	1.9
199.14833	14.4
201.12759	2.6
201.16368	5.1
203.14326	2.9
203.18147	1.4
207.13734	1.7
209.13303	5.7
211.14856	4.7
213.12674	1.9
213.16434	6.0
215.14247	1.4
215.18143	2.2
217.12315	1.6
217.16005	1.4
219.13786	1.4
223.14783	2.7
225.16373	4.3
227.14372	3.6
227.17978	3.9
229.15846	5.7
239.17984	2.4
241.15910	1.5
241.19572	4.8
243.17366	2.1
245.15312	4.7
253.19684	2.0
255.21095	12.8
257.18970	2.0
265.19519	6.6
270.64157	1.3
271.20541	2.6
273.22119	5.5
283.20532	24.5
301.21631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	11-cis Retinoic Acid
Peak:m/z	Relative Intensity
51.23504	1.9
52.11383	1.8
53.03942	4.3
55.01891	1.9
55.05522	13.8
57.07080	10.4
57.90043	2.7
59.05046	2.1
67.05504	24.1
69.03431	7.8
69.07072	13.3
69.73222	6.1
69.73608	5.2
70.06615	2.4
71.04989	7.9
79.05509	22.4
81.07057	41.8
83.05000	4.1
83.08623	5.2
85.06544	4.4
91.05487	32.6
93.07056	34.5
95.04983	17.5
95.08613	34.1
97.06539	16.2
105.07035	56.0
106.08647	2.7
107.04935	4.2
107.08597	53.4
109.06525	34.7
109.10153	33.5
111.08103	6.4
115.05456	3.2
117.07026	19.2
117.81554	2.4
119.04967	2.3
119.08586	62.2
121.06515	20.8
121.10162	30.0
123.08058	8.7
123.11735	5.8
128.06259	4.9
128.33861	2.1
129.07016	9.0
130.07762	4.5
131.08571	55.0
133.06499	2.6
133.10136	40.8
135.06393	2.3
135.08057	26.1
135.11679	15.2
137.09593	4.5
142.07816	7.6
143.08568	26.5
144.09360	5.0
145.10127	55.3
146.07283	6.6
147.08057	6.2
147.11716	19.8
149.09654	4.3
149.13252	9.8
155.08591	3.8
156.09378	4.3
157.10132	20.8
158.10948	15.5
159.08084	5.5
159.11687	21.5
161.09633	62.5
161.13268	8.3
163.11226	7.3
165.06992	3.0
167.08627	3.2
169.10138	8.2
170.10977	2.8
171.08020	3.3
171.11684	14.5
173.09691	4.0
173.13277	100.0
175.11229	3.0
175.14822	13.2
179.08522	2.5
181.10037	3.0
183.11685	9.9
184.12590	2.7
185.13313	12.0
187.11143	3.6
187.14876	4.5
189.12741	5.5
191.14313	28.3
193.10199	3.9
194.11034	3.0
195.11790	4.7
197.13348	5.2
199.14842	13.7
201.12895	5.1
201.16376	8.6
203.14293	6.3
208.12462	3.0
209.13327	17.1
211.14847	2.8
213.12796	2.8
213.16364	5.8
217.15733	3.2
223.14879	8.9
225.16321	4.4
227.14342	8.4
237.16373	2.5
239.17932	4.6
241.19492	5.9
243.17300	2.4
255.21062	4.4
258.05292	9.9
265.19516	12.2
283.20575	17.6
286.04706	12.4
301.07101	30.5
301.16525	3.2
301.21616	61.1
302.30539	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03928	2.2
55.01875	1.6
55.05513	12.0
57.03411	1.8
57.07070	1.4
59.72347	0.9
60.43935	0.8
63.61601	0.8
65.03937	1.0
67.05506	11.1
69.03414	2.9
69.07063	7.7
69.87414	4.4
70.17610	0.8
71.04976	2.2
79.05486	12.7
81.06594	1.3
81.07058	23.9
83.04966	4.3
83.08615	2.2
91.05484	15.3
93.07044	30.8
95.04971	3.3
95.08609	16.2
96.86964	0.9
97.06537	6.7
97.10175	2.1
99.04420	1.5
99.08094	6.1
103.05462	1.7
105.07035	32.7
107.04948	1.4
107.08593	24.6
109.06511	11.4
109.10156	14.1
109.50943	0.8
109.74370	0.8
111.08052	1.9
117.06985	6.3
119.00050	0.9
119.08584	24.4
121.06509	19.3
121.10144	14.5
123.08111	5.1
123.11683	4.2
125.09611	2.7
128.06210	2.6
129.07013	7.2
130.07747	1.8
131.08569	13.9
133.06435	1.4
133.10129	16.4
135.08066	5.2
135.11670	10.2
137.09622	6.5
141.07004	1.3
142.07782	5.0
143.08571	20.2
144.09265	1.1
145.06508	1.4
145.09056	1.8
145.10130	23.2
147.08064	5.1
147.11681	22.0
149.09624	3.5
149.13243	3.5
151.07520	1.5
151.11218	1.7
153.01826	1.3
155.08560	8.1
156.09360	3.6
157.10112	16.6
158.07364	1.0
159.08052	3.1
159.11693	13.1
161.09608	4.1
161.13242	5.7
163.11145	2.9
165.06979	1.2
165.12680	1.2
167.08580	3.1
167.10654	7.1
168.09303	3.6
169.10139	10.1
169.67868	0.9
170.10875	3.7
171.11678	10.9
173.09642	3.3
173.13229	8.0
175.11176	3.6
175.14859	1.7
177.12749	1.3
179.08577	1.8
181.10129	5.3
182.10938	1.6
183.11684	11.2
184.12456	2.5
185.09651	2.3
185.13269	15.4
186.10414	1.0
187.11177	4.1
187.14845	7.5
189.12720	3.7
191.14223	1.1
195.11601	4.3
196.12535	1.1
197.13232	9.5
199.11186	2.2
199.14824	10.0
201.12706	2.7
201.16379	7.5
203.14331	2.8
203.17947	1.5
207.11612	1.5
209.13222	8.6
210.14073	2.4
211.14832	4.0
213.12701	3.2
213.16380	3.8
215.14275	2.4
217.15886	2.5
221.13341	1.5
223.14828	4.2
225.16386	24.7
227.14359	6.5
227.17915	1.2
239.17975	2.8
241.15851	3.4
241.19478	6.8
243.17511	5.6
245.15302	6.7
253.19490	3.5
255.17618	0.8
255.18521	1.0
255.21120	7.9
257.18918	1.1
258.05258	14.8
265.19504	12.8
271.20502	5.3
273.03973	1.2
283.20560	25.3
286.04718	24.8
287.05237	1.2
301.03580	2.1
301.07056	43.2
301.21603	100.0
310.39996	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2164
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03935	1.8
55.01868	1.8
55.05265	0.8
55.05516	10.9
57.03452	0.7
57.06868	0.4
57.07079	4.4
57.89009	0.4
65.03933	1.1
67.05178	0.9
67.05510	11.1
69.03439	3.9
69.07068	8.7
69.79121	2.5
71.04981	1.3
73.06552	0.8
77.03931	0.6
79.05499	13.6
81.07062	32.5
83.04993	6.4
83.08624	4.9
85.02908	0.6
85.06548	1.5
91.04973	0.4
91.05483	11.5
91.53587	0.4
93.03427	0.8
93.07050	23.6
95.04961	3.6
95.08611	20.4
97.06538	10.5
97.10184	1.9
98.21459	0.6
99.08099	6.9
105.04490	0.8
105.07038	24.3
107.04954	2.7
107.08601	24.4
109.06532	9.0
109.10162	12.5
111.08077	3.0
112.66135	0.5
115.05448	1.3
116.06202	0.4
117.07016	5.7
119.08589	22.0
121.06519	11.1
121.07382	0.8
121.10152	14.9
123.08078	7.9
123.11720	7.8
125.09634	2.5
127.07522	0.8
128.06238	2.0
129.06989	6.0
130.07806	1.0
131.07600	0.8
131.08577	13.2
133.06525	3.1
133.10139	13.7
135.08078	6.9
135.11693	6.9
137.05980	1.0
137.09616	4.4
137.13280	2.3
139.11140	0.5
141.07022	1.4
142.07785	4.8
143.07697	0.3
143.08560	16.6
144.09326	2.1
145.06480	2.0
145.10133	17.5
146.07298	0.8
147.08064	14.1
147.11688	10.5
149.09630	9.0
149.13251	6.9
151.07541	1.7
151.11186	2.5
154.07790	0.9
155.08562	4.6
156.09363	3.3
157.06503	0.5
157.10138	19.3
158.07297	1.0
158.10931	1.4
159.08084	4.5
159.11711	14.5
161.09615	10.4
161.13245	4.9
163.07544	0.7
163.11217	3.6
163.14883	0.9
165.07019	1.3
165.09074	1.3
165.12772	3.9
166.07825	0.7
167.08563	2.5
168.09383	1.5
169.10127	6.6
170.10968	2.4
171.08069	1.6
171.11699	10.6
172.08812	1.4
173.09653	4.1
173.13290	7.7
175.07597	0.6
175.11197	8.2
175.14804	3.0
177.09132	0.7
177.12732	2.8
179.08586	2.0
179.10608	0.5
179.14252	0.7
180.09338	1.4
181.10107	3.7
182.10934	0.8
183.11720	7.4
184.08832	0.6
184.12457	1.3
185.09671	3.8
185.13266	13.2
186.13904	0.8
187.11183	8.5
187.14825	5.7
189.09338	0.6
189.12761	3.7
189.16380	1.0
191.10683	0.6
191.14331	1.4
193.10144	1.0
193.12291	1.0
194.10944	2.1
195.11700	3.6
196.12523	0.9
197.13243	5.1
198.10385	0.6
199.11200	3.4
199.14842	13.2
200.15549	0.7
201.12784	5.8
201.16382	5.3
203.10674	1.2
203.14336	6.8
203.18011	0.9
205.12193	1.1
205.15955	0.7
207.11682	0.6
208.12505	1.0
209.13298	7.6
210.14091	0.9
211.11110	0.7
211.14813	3.5
212.11914	0.7
213.12730	3.4
213.16382	6.1
215.14349	1.8
215.17950	2.3
217.12276	1.9
217.15860	2.7
219.13632	0.5
221.13277	0.6
223.14853	3.9
225.16396	6.8
226.17157	0.9
227.14311	11.9
227.17833	0.9
229.15956	1.2
231.13820	1.3
231.17438	3.8
236.15648	0.7
237.16510	1.1
239.17961	3.8
240.18724	0.7
241.15912	3.7
241.19527	9.9
243.17473	11.8
245.15382	6.3
253.19553	0.6
255.17268	0.9
255.21112	8.8
257.19006	2.9
258.05173	0.8
259.16956	1.4
259.20618	3.7
265.19534	8.7
271.20483	0.9
273.22116	1.5
283.20587	33.2
301.07111	1.9
301.21634	100.0
302.22049	0.7
312.10355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03942	1.1
55.05518	5.9
57.07076	1.5
67.05509	7.1
68.94289	0.9
69.07075	4.5
70.45649	1.6
70.45995	2.0
71.04993	2.6
79.05495	10.0
81.07062	29.0
82.07372	3.5
83.04987	2.3
83.08593	1.5
85.02923	0.9
91.05503	7.5
93.07047	13.4
95.04958	5.3
95.07999	1.2
95.08601	14.5
96.62720	0.9
97.06528	6.9
99.04489	1.9
105.07043	14.7
105.14741	0.9
107.08598	16.7
109.06505	7.7
109.10155	8.0
111.08066	1.1
117.07028	3.0
119.08586	14.8
119.09367	1.3
120.09311	1.4
121.06496	9.2
121.10137	7.5
123.08064	4.7
123.11697	2.9
129.06996	3.2
131.08585	11.5
133.06514	1.6
133.10141	11.5
135.08051	3.5
135.11728	5.3
137.09630	3.5
140.19745	1.0
141.21387	0.8
142.07784	1.9
143.08566	8.1
145.10133	14.5
147.08044	4.6
147.11697	9.8
149.09657	1.6
149.13251	1.9
151.07596	4.4
155.08560	2.6
157.10130	11.2
159.08084	1.2
159.11693	10.4
161.09653	3.2
161.13225	4.5
165.09094	1.6
167.08685	1.3
167.10634	1.2
169.10107	4.2
171.11710	8.0
173.09647	2.9
173.13278	5.8
175.11194	3.2
175.14876	1.6
177.12706	1.1
179.10655	1.3
181.10168	1.4
183.11674	4.4
183.68871	0.9
185.13245	9.7
187.11185	2.1
187.14799	8.2
189.12729	1.6
193.12244	1.4
194.10847	1.1
195.11642	1.2
197.13316	3.0
199.11142	1.3
199.14806	6.8
201.12790	2.2
201.16333	6.4
203.14307	2.2
203.17947	3.0
209.13295	4.2
211.14835	2.6
213.12801	2.0
213.16364	3.4
220.14659	5.5
223.14835	1.3
225.16371	4.0
227.14441	3.4
227.18044	1.1
239.17995	1.9
241.15819	1.3
241.19476	7.6
243.17462	4.0
245.15387	3.1
253.19560	3.0
255.21129	4.6
258.05267	1.7
259.20425	1.6
265.19537	5.0
271.20471	4.5
283.20590	14.7
286.04892	3.0
301.07104	6.3
301.21619	100.0
303.42865	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.2
55.05521	1.0
56.05033	1.1
67.05499	0.5
68.05035	1.0
69.07088	0.7
70.17722	0.1
70.18048	0.5
73.06773	0.1
74.02422	0.2
79.05486	0.3
80.05026	1.0
81.07056	0.6
82.06593	0.7
83.08628	0.8
91.05477	0.4
93.05775	0.1
93.07057	1.0
94.06569	0.6
95.07353	0.4
95.08595	0.4
96.04473	0.3
96.08122	0.2
97.08924	0.3
98.09693	1.2
98.97607	0.1
105.07027	0.4
107.08579	0.1
108.08109	0.2
109.10113	0.1
110.09689	2.7
112.11246	0.5
115.05459	0.3
118.06538	0.3
122.09675	3.3
124.11259	1.1
127.07544	0.1
128.04948	0.2
130.06535	6.5
131.04945	0.3
131.08574	0.1
132.04460	3.2
132.08102	1.0
137.06017	0.2
138.09145	0.3
139.74712	0.1
142.06548	0.3
144.08125	0.1
146.06029	1.6
147.11685	0.1
149.06041	0.2
153.01823	1.2
156.10223	3.1
157.07649	1.0
158.06027	11.4
159.08090	0.1
160.07602	2.9
168.10211	1.4
172.07613	0.4
173.07106	0.5
175.08696	4.8
176.07074	0.3
182.05882	0.1
183.06841	0.2
184.07596	0.3
185.07091	0.2
186.05563	0.3
196.07614	0.3
204.06512	0.5
219.01808	0.2
226.12224	0.4
228.13852	0.2
229.04936	1.5
229.06754	0.1
231.07639	0.3
238.12303	0.3
255.10747	0.2
255.14946	4.3
257.04489	0.7
257.16479	0.4
258.05261	39.0
259.05707	0.4
269.04648	0.2
273.03745	0.2
286.04736	51.7
287.05231	0.6
301.07083	100.0
301.15430	22.8
302.07434	1.3
302.15924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.2
55.05521	1.0
56.05033	1.1
67.05499	0.5
68.05035	1.0
69.07088	0.7
70.17722	0.1
70.18048	0.5
73.06773	0.1
74.02422	0.2
79.05486	0.3
80.05026	1.0
81.07056	0.6
82.06593	0.7
83.08628	0.8
91.05477	0.4
93.05775	0.1
93.07057	1.0
94.06569	0.6
95.07353	0.4
95.08595	0.4
96.04473	0.3
96.08122	0.2
97.08924	0.3
98.09693	1.2
98.97607	0.1
105.07027	0.4
107.08579	0.1
108.08109	0.2
109.10113	0.1
110.09689	2.7
112.11246	0.5
115.05459	0.3
118.06538	0.3
122.09675	3.3
124.11259	1.1
127.07544	0.1
128.04948	0.2
130.06535	6.5
131.04945	0.3
131.08574	0.1
132.04460	3.2
132.08102	1.0
137.06017	0.2
138.09145	0.3
139.74712	0.1
142.06548	0.3
144.08125	0.1
146.06029	1.6
147.11685	0.1
149.06041	0.2
153.01823	1.2
156.10223	3.1
157.07649	1.0
158.06027	11.4
159.08090	0.1
160.07602	2.9
168.10211	1.4
172.07613	0.4
173.07106	0.5
175.08696	4.8
176.07074	0.3
182.05882	0.1
183.06841	0.2
184.07596	0.3
185.07091	0.2
186.05563	0.3
196.07614	0.3
204.06512	0.5
219.01808	0.2
226.12224	0.4
228.13852	0.2
229.04936	1.5
229.06754	0.1
231.07639	0.3
238.12303	0.3
255.10747	0.2
255.14946	4.3
257.04489	0.7
257.16479	0.4
258.05261	39.0
259.05707	0.4
269.04648	0.2
273.03745	0.2
286.04736	51.7
287.05231	0.6
301.07083	100.0
301.15430	22.8
302.07434	1.3
302.15924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11153	0.6
55.01850	0.8
55.05489	0.7
56.96555	1.4
67.05470	0.7
69.03416	1.7
70.06577	0.6
71.04995	0.7
71.53317	0.6
71.53680	0.7
79.05452	1.3
81.03422	1.3
81.07046	2.5
83.04963	0.6
85.02908	3.4
91.05456	0.7
93.07034	0.9
95.04979	1.6
95.08601	1.6
96.06866	1.4
97.02853	0.9
98.97582	2.7
99.04433	1.7
103.24046	0.6
105.07014	2.0
107.08585	0.9
108.67838	0.6
109.02885	0.8
109.06500	0.8
109.10112	0.6
116.98598	1.1
119.04949	0.7
119.08569	1.3
121.02847	1.1
121.06490	2.7
121.07600	0.7
121.10163	0.7
123.11743	0.7
125.07095	2.4
126.60608	0.7
127.03902	1.8
135.04427	0.7
137.02277	0.9
139.03908	8.8
139.08636	2.5
143.08534	1.1
145.10092	1.5
147.04391	2.5
151.03906	0.7
159.11705	1.1
163.03912	1.4
167.07074	1.3
171.07649	4.7
177.00700	1.3
179.40051	0.6
221.05042	0.7
235.01419	0.8
258.05237	7.1
269.14960	4.1
283.20374	1.4
286.04791	7.9
301.07349	19.6
301.12549	100.0
301.17310	4.1
301.21643	4.1
302.12732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
54.79945	0.2
55.01865	0.2
55.05505	0.5
57.03439	0.4
65.03934	0.3
67.05514	1.3
69.03405	0.4
69.07059	0.7
71.04976	0.5
71.29825	0.4
78.04726	0.4
79.05469	0.4
81.07065	1.5
83.04978	0.3
83.08614	0.4
85.02909	0.5
91.05479	2.1
93.07083	0.9
95.04970	0.6
95.08611	0.9
97.06507	0.4
98.21503	0.2
98.97578	0.2
99.04520	0.2
99.08100	0.2
103.17747	0.2
105.04529	0.3
105.07018	0.7
106.04160	0.2
107.08617	0.9
109.06496	0.2
109.10152	1.1
117.07018	0.2
117.62367	0.2
119.08575	0.6
121.06510	100.0
122.06847	0.3
123.04380	0.2
123.11706	0.5
129.05493	0.3
131.08578	0.3
133.10144	0.6
135.08014	0.2
135.11659	0.2
137.02969	0.3
142.03250	0.3
145.10092	0.4
147.11714	0.2
151.03955	0.6
157.08635	0.3
157.10069	0.2
159.11707	0.4
161.13275	0.2
165.02426	0.5
166.03209	0.3
179.03410	0.2
180.04674	0.3
185.13222	0.2
198.05843	2.0
199.14848	0.2
217.05043	0.2
227.79785	0.2
245.04599	0.2
245.42552	0.2
258.05273	4.6
265.18121	0.3
273.03949	0.4
283.19162	0.6
286.04724	6.2
301.03561	0.7
301.07187	11.8
301.10797	1.7
301.21637	1.2
303.04996	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	301.1071
Annotation	6,7-Dihydroxy-2,3,4-trimethoxyphenanthrene
Peak:m/z	Relative Intensity
50.01590	0.1
51.02362	0.2
53.03950	0.5
56.60101	0.1
57.18050	0.1
66.50013	0.1
69.71837	0.2
69.72240	0.4
77.03923	0.2
78.04709	0.5
91.05483	1.2
93.07041	0.1
95.04980	0.3
105.04537	0.2
105.93334	0.1
106.04177	0.2
121.06508	100.0
121.61020	0.1
122.06828	0.4
131.92986	0.1
179.03415	0.3
258.05258	0.3
286.04742	0.3
301.07104	0.8
301.10779	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22937	0.2
53.03942	0.6
61.79117	0.2
66.25133	0.2
71.33601	0.3
71.98384	0.3
77.03911	0.3
78.04703	0.5
91.05475	1.2
93.07035	0.3
95.05000	0.5
121.06507	100.0
122.06792	0.5
153.01796	0.5
154.02144	0.3
177.27066	0.2
179.03424	0.3
192.03749	0.3
193.03908	0.6
229.56534	0.3
250.33488	0.2
258.05368	0.6
286.04724	1.1
301.06992	1.8
301.10199	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
55.01863	7.9
56.96569	43.4
57.03442	16.4
61.02930	18.4
69.03432	37.1
70.16844	8.8
70.98115	8.6
71.04982	3.8
71.95261	3.0
73.02918	17.5
77.39626	1.9
80.62476	1.9
81.03419	12.4
81.04518	3.2
82.06564	2.9
82.99837	2.5
84.96020	4.1
85.02911	74.5
87.04471	5.0
87.79943	1.9
88.99155	4.2
91.03947	4.3
91.05479	5.7
97.02905	29.9
97.96775	2.8
98.97593	100.0
99.04462	5.2
99.97926	4.4
101.00880	15.1
101.02372	3.0
102.96845	3.3
109.02875	7.8
110.01275	3.0
110.97562	7.4
113.00865	2.9
115.02436	8.4
116.02116	3.4
116.98632	41.0
117.01857	2.8
119.01929	15.4
119.04945	10.9
119.29961	2.1
120.08086	2.5
120.97885	2.4
124.01940	3.0
124.99095	3.6
125.02625	2.6
127.00634	2.1
127.03928	32.9
128.98595	7.6
130.93279	7.7
131.01886	7.0
131.02731	3.5
133.03468	18.3
134.03563	2.7
134.99660	8.9
137.02626	4.5
139.03998	2.4
139.05006	7.3
140.08191	6.7
140.98589	3.2
142.01859	4.2
143.00153	6.6
143.01865	4.6
145.01559	3.5
145.03485	6.2
145.04996	15.9
146.08188	2.2
146.99638	9.1
147.01291	3.5
147.04407	27.7
148.04671	3.0
149.02904	3.8
151.02391	9.3
155.00182	2.5
155.01854	3.9
158.99637	6.1
160.02979	14.7
161.01189	4.9
161.02925	7.7
163.03873	5.7
165.00711	3.6
166.02957	6.4
169.03465	6.8
171.01392	17.3
172.94373	11.8
172.97620	4.7
173.01340	2.9
173.02954	9.7
174.99297	2.4
175.00897	4.9
176.01025	2.7
177.00764	3.7
177.02411	3.1
181.03424	9.6
183.05109	2.6
185.02962	2.5
188.04189	5.9
189.00859	3.0
189.02467	26.6
189.04175	4.4
190.02481	4.3
190.03944	7.8
190.95396	9.0
190.98723	4.1
191.03928	5.8
191.05640	3.2
193.03467	4.0
198.04680	2.2
199.00867	13.7
199.04591	2.5
201.00758	3.9
201.02448	6.5
202.03960	26.6
203.04015	5.1
204.96777	2.1
205.00215	4.5
205.05411	2.3
207.01651	2.2
207.03410	2.2
211.04547	21.5
211.54619	3.0
215.04042	3.8
217.00249	3.6
217.01987	17.2
218.02058	6.8
219.01765	7.3
220.04955	8.1
221.04941	2.3
223.01196	3.0
227.00345	2.4
229.01906	6.4
231.03581	13.3
232.03633	2.4
232.96439	5.8
236.03291	3.7
241.02017	4.2
243.03600	2.9
245.01500	3.4
246.98045	4.2
249.04695	4.7
251.00946	2.2
251.04277	2.9
258.99841	8.0
259.02991	30.0
259.99890	8.1
260.03030	4.9
260.95767	2.2
265.07867	2.2
269.16861	3.5
271.03036	2.9
274.97641	2.6
277.00757	12.6
277.04034	15.4
277.97574	3.7
278.01001	9.1
278.04004	3.0
278.96899	6.5
289.03983	8.4
295.95981	16.7
296.97818	2.3
301.04013	5.0
301.09253	6.2
301.19452	7.6
302.13443	4.0
319.05048	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	301.0708
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
70.92774	0.3
89.35392	0.1
95.62249	0.1
99.56869	0.1
114.30431	0.1
119.08516	0.1
137.05980	1.6
138.67075	0.1
149.05992	0.2
153.01822	0.9
168.00589	0.2
229.04927	1.4
257.04529	0.7
258.05246	39.4
259.05750	0.3
286.04724	51.1
287.05133	0.4
301.07062	100.0
302.07391	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	Diosmetin
Peak:m/z	Relative Intensity
53.03939	0.3
55.05504	0.7
57.03416	0.5
61.02932	0.5
67.01852	0.3
67.05520	1.2
68.99815	0.2
69.03441	0.3
69.07075	1.1
69.86781	0.8
71.05001	0.6
79.05492	1.0
81.07060	2.3
83.04968	0.7
83.08636	0.3
85.02906	0.4
91.05479	1.5
93.07043	1.6
95.04955	0.5
95.08601	1.2
97.02878	0.7
97.10162	0.4
98.21410	0.4
99.04468	0.3
105.07037	2.2
107.08611	1.2
109.06513	0.7
109.10175	0.9
111.04466	0.5
111.08096	0.3
117.07011	0.3
119.08594	1.3
121.06515	8.3
121.10148	0.7
123.08049	0.3
123.11695	0.4
124.01601	1.2
129.06996	0.2
131.08553	1.0
133.06416	0.3
133.10146	2.4
135.04446	1.1
135.08025	1.1
135.11661	0.4
136.05206	0.4
137.02348	0.5
137.09689	0.5
143.08562	0.7
145.10158	1.2
147.08055	1.2
147.11679	1.0
149.05940	0.3
149.09612	0.7
153.01892	0.3
157.10155	0.5
159.11729	0.7
161.02390	1.0
161.09615	0.9
161.13219	0.3
163.11267	0.3
165.05347	0.2
167.03418	3.5
171.11723	0.9
173.09589	1.1
175.11240	0.3
183.11766	0.4
184.05222	0.5
185.04489	0.4
185.13266	0.5
187.11150	0.4
187.14977	0.2
189.09158	0.3
199.11179	1.1
202.13736	0.2
203.03459	1.0
203.14397	0.4
212.04645	0.3
213.05423	0.9
213.16351	0.3
227.10687	0.6
229.05022	0.8
229.07477	0.3
230.05701	0.3
240.04050	0.4
241.04869	0.5
241.15805	0.3
245.15489	0.3
255.17311	0.3
257.04471	0.3
257.62900	0.3
258.05255	19.1
283.17026	0.5
283.20374	0.6
286.01498	0.4
286.04718	11.6
301.07074	100.0
301.21600	2.4
302.07477	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.4
55.14801	0.2
56.05033	0.7
58.25388	0.2
66.56252	0.3
67.05487	0.4
69.07062	0.5
69.50195	2.0
73.35242	0.3
74.27647	0.3
78.46853	0.3
80.05016	0.4
81.07071	0.3
82.06549	0.3
83.08615	0.3
90.72913	0.2
91.05470	0.6
93.07041	0.4
94.77624	0.3
105.07037	0.4
110.03651	0.8
110.09699	1.3
115.42097	0.2
121.02846	0.6
121.06486	0.3
122.09675	1.4
124.11231	0.4
130.06529	3.2
131.01135	0.3
132.04456	1.3
132.08090	0.6
137.02336	2.6
146.06033	0.7
149.02448	0.3
150.03152	0.3
156.10196	1.7
157.07631	0.4
158.06023	5.8
160.07591	1.2
167.03819	0.3
168.10207	0.6
173.76703	0.2
175.08664	2.1
177.01768	0.5
181.06311	0.3
184.05049	0.3
212.04688	2.4
213.05508	1.8
229.04932	3.1
230.05653	0.3
241.05045	0.7
255.10402	0.3
255.14980	2.2
257.04446	0.6
258.05252	14.6
259.02814	0.3
269.04453	2.9
285.03949	27.3
286.04721	64.3
287.05081	0.3
301.07068	100.0
301.15375	10.2
302.07401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0695
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.05504	0.1
56.05029	0.1
56.18494	0.1
58.54090	0.1
69.92488	0.2
69.92903	0.1
79.05482	0.1
81.07030	0.1
83.08537	0.1
91.05463	0.1
93.07015	0.2
94.03132	0.1
96.04443	0.1
98.09694	0.1
107.04925	0.1
107.08556	0.1
110.09677	0.2
112.07727	0.1
113.11749	0.1
121.06489	0.1
122.09634	0.2
130.06538	0.3
132.04425	0.2
133.10176	0.1
146.05983	0.1
147.15514	0.1
149.05946	0.2
151.03856	0.3
151.07054	0.1
152.00981	0.1
153.01828	1.2
156.10190	0.2
157.07643	0.1
158.06035	0.8
160.07622	0.1
175.08658	0.2
181.86046	0.1
201.05522	0.1
206.64687	0.1
213.05443	0.1
226.06718	0.1
229.04974	1.4
230.05678	0.1
244.01001	0.1
255.14946	0.2
257.04449	0.6
258.05237	37.0
259.05652	0.3
269.04553	0.2
286.04715	51.5
287.05081	0.5
301.07062	100.0
302.04218	0.1
302.07343	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	5.4
60.23490	0.4
69.26066	3.9
71.95280	2.3
98.97596	100.0
99.97923	3.9
101.97218	0.8
102.96896	0.8
107.28823	0.5
116.98637	34.8
117.99004	1.1
120.97944	0.5
134.99677	6.7
138.22746	0.4
140.00259	0.8
172.94377	1.2
174.97675	0.5
216.98808	0.8
219.02028	2.7
232.96573	1.0
234.99858	1.0
240.98653	3.0
241.98796	2.7
258.99811	33.0
259.99960	23.0
260.99551	1.0
261.03143	0.8
276.97784	1.5
277.00836	33.9
277.94742	1.0
277.97653	1.8
278.00998	23.6
278.96942	1.1
279.00674	1.4
282.99832	3.3
285.72144	0.5
295.95798	2.7
295.98907	0.8
296.98001	0.6
300.02328	0.8
300.97592	2.2
301.01202	3.3
301.09769	2.4
318.98697	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45797	0.7
53.03942	0.8
55.05493	0.9
55.21756	0.7
56.96565	24.5
57.03426	1.7
57.07068	1.2
58.06598	0.7
59.04982	1.8
60.08141	0.6
61.02916	2.4
65.03921	0.9
69.03435	3.7
69.07100	0.7
69.47522	5.3
70.06587	0.7
70.98116	1.6
71.04980	0.8
71.95263	0.9
73.02913	1.7
74.02406	1.2
81.03405	0.7
81.07066	1.1
82.34505	0.7
84.08116	1.2
84.96022	1.2
85.02903	4.8
88.02212	1.4
89.03907	1.6
89.06012	0.9
91.05469	3.0
97.02899	3.9
98.21506	1.0
98.97591	10.5
103.07548	1.3
107.04957	1.1
109.02901	0.9
110.97553	3.2
111.05536	1.8
112.07590	3.3
116.98628	4.5
117.03374	1.9
119.04965	4.2
120.08122	0.9
121.08610	4.7
123.04466	0.8
124.99104	4.5
126.39651	0.8
127.03915	1.6
128.98590	2.8
130.08632	2.9
130.93330	0.8
131.00145	0.9
134.02650	0.9
134.99635	1.0
135.04395	2.9
136.06183	3.7
137.05905	1.2
138.02254	1.2
138.05489	6.6
139.03876	2.5
140.04260	0.7
140.98579	2.7
141.01213	0.7
143.00159	6.7
143.89912	0.8
145.01721	1.0
145.02797	1.1
146.99663	2.2
147.04419	14.4
155.00186	2.2
155.04654	0.8
156.03328	44.7
156.98160	0.9
158.06633	1.3
158.99644	6.9
161.01227	7.4
161.04645	1.2
162.39764	0.7
163.02615	0.9
163.03905	11.5
166.07152	0.8
167.54367	0.8
168.03333	18.7
168.05457	0.9
170.99664	3.2
173.01299	3.8
174.04405	38.0
174.99084	1.5
175.07491	1.7
177.00719	7.3
177.58199	0.7
179.02293	0.8
185.01218	1.4
186.04393	100.0
187.02739	1.1
187.04610	1.2
188.05139	0.8
189.00740	14.2
191.02254	1.5
192.05513	4.3
195.01581	0.9
197.05818	1.2
201.00667	1.7
204.05447	68.1
207.01781	15.8
209.05968	3.2
210.04552	0.9
212.02397	1.2
213.00781	0.9
217.00194	7.1
217.07426	0.9
219.01782	1.7
222.06346	1.3
226.02368	1.2
227.06886	1.2
231.01697	1.3
231.05531	1.0
235.01256	10.9
235.03334	1.2
235.56989	2.1
237.02824	2.0
238.09297	1.6
267.03931	1.4
277.02274	1.7
279.07611	1.1
282.06497	13.8
288.55252	0.9
291.03931	0.9
299.56244	0.8
300.07556	63.9
300.10394	3.1
300.22906	1.5
318.08643	1.5
323.09290	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2006
Annotation	2,6-Dimethylhexestrol
Peak:m/z	Relative Intensity
51.02373	0.7
53.03941	2.9
55.01862	0.6
55.05512	5.0
57.03424	0.6
62.21612	0.6
65.03942	1.9
67.05502	9.5
69.03419	1.9
69.07061	2.2
69.57478	0.7
70.77808	1.5
79.05497	20.8
81.07060	64.3
83.04987	4.3
83.08611	1.4
86.26727	0.6
88.20113	0.6
91.05486	10.1
93.07045	16.3
95.04974	36.4
95.08611	9.9
97.06528	2.7
105.04590	0.8
105.07034	16.3
107.04982	1.0
107.08595	10.2
109.06528	8.4
109.10141	4.8
115.05465	1.2
117.07047	4.5
119.08584	12.8
121.06516	4.5
121.10160	5.4
123.08057	3.9
128.06203	2.7
129.07024	3.5
129.31325	0.6
129.32365	0.6
129.49376	0.6
130.07796	1.8
131.08572	8.8
133.06526	1.1
133.10136	7.0
135.08018	4.5
135.11684	2.2
137.09642	2.4
141.07001	1.5
142.07776	3.8
143.08557	9.0
144.09381	1.0
145.06485	1.5
145.10126	7.4
147.08029	3.1
147.11703	4.1
149.09642	1.9
155.08565	3.5
156.09361	1.7
157.10132	7.9
159.08054	1.7
159.11708	6.5
161.09637	5.9
161.13300	2.2
163.11153	0.9
167.08562	1.5
168.09288	1.8
169.10133	4.3
170.10965	1.4
171.08148	0.9
171.11723	5.2
173.09608	2.4
173.13281	2.5
175.11211	2.8
175.14815	1.1
181.10141	1.2
182.10939	1.2
183.11691	5.6
184.12436	0.8
185.09695	2.1
185.13211	4.7
187.11224	3.7
187.14865	1.1
189.12796	2.5
193.10136	0.8
195.11702	1.4
196.12360	0.6
197.13321	3.1
199.11223	2.5
199.14867	2.5
200.12025	0.8
201.12750	4.0
203.10614	0.7
203.14323	3.6
207.11710	0.8
209.13344	1.1
210.10364	0.7
211.11189	1.7
211.14708	1.0
213.12859	1.6
213.16364	0.6
215.14287	1.5
217.12265	0.9
221.13252	0.9
225.12767	2.5
225.16386	0.9
239.17978	1.8
241.15919	1.4
243.13849	1.1
253.19504	1.8
257.19019	1.4
271.20508	1.8
281.19003	5.2
299.20071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
52.15372	1.0
53.03934	4.0
55.05512	10.5
66.04716	1.1
67.05515	8.8
69.03425	2.9
69.07067	4.4
70.54072	2.5
71.04990	2.4
79.05494	27.8
81.07060	67.8
83.04971	3.6
91.04959	1.4
91.05479	12.2
93.07046	20.1
95.04974	19.1
95.08614	10.9
97.06544	2.4
98.21460	1.0
98.97644	1.0
103.05511	1.4
105.07036	22.7
107.04948	1.4
107.08585	11.2
109.06503	5.5
109.10160	4.9
111.08061	1.3
113.06036	1.2
115.05435	1.4
117.07028	5.3
119.08586	18.6
121.06504	5.7
121.10117	4.9
123.08053	3.8
123.11669	1.4
128.06209	3.5
129.07019	6.4
130.07773	1.1
131.08589	10.8
133.06496	2.5
133.10136	6.7
135.08089	4.0
135.11693	1.5
137.09677	1.4
141.06990	3.5
142.07761	5.9
143.08572	15.6
144.09323	1.3
145.06483	2.3
145.10123	11.1
147.08029	4.9
147.11687	2.7
149.09630	3.2
153.01834	1.3
154.07785	1.4
155.08563	6.2
156.09366	4.3
157.06479	1.0
157.10132	13.5
159.08058	3.6
159.11694	6.2
161.09599	3.3
161.13257	2.2
167.08556	3.6
168.09349	3.1
169.10139	9.5
171.08150	1.5
171.11687	8.2
173.09663	2.5
173.13300	3.0
175.11227	1.5
180.09344	1.6
181.10088	2.9
182.10916	3.1
183.08145	1.5
183.11711	11.9
184.08731	1.5
184.12518	1.3
185.09602	4.0
185.13200	4.7
187.11224	2.8
187.14870	2.0
191.03395	1.1
194.10919	1.1
195.11699	2.6
197.09628	1.4
197.13304	9.0
199.11218	7.0
199.14772	3.5
200.12024	2.6
201.12785	3.6
203.10712	1.5
207.11668	2.6
209.13274	2.2
210.10556	1.2
211.11151	3.6
211.14789	2.2
213.12773	1.6
218.13013	1.4
219.13850	1.0
223.14822	2.0
225.12738	3.1
225.16472	2.1
226.13559	4.0
239.18027	3.4
241.15846	1.1
243.13911	1.6
244.14655	1.2
253.19528	3.7
271.20313	1.0
281.18985	7.5
299.09192	3.1
299.20068	100.0
304.65210	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01864	2.8
55.05514	11.3
57.03442	19.9
57.14314	1.0
65.03915	1.6
67.05511	43.1
69.03413	1.9
69.07076	15.8
71.04996	5.4
71.26481	2.2
73.06538	3.1
74.10478	1.1
77.58376	1.1
79.05499	25.7
80.75240	1.0
81.03414	1.4
81.07062	100.0
83.04982	9.0
83.08642	6.0
85.02862	1.1
85.06533	9.7
88.88599	1.0
91.05486	41.7
93.07055	16.4
95.04982	8.1
95.08611	22.5
95.43749	1.0
97.06541	14.2
98.97555	1.3
99.08056	4.7
105.07042	44.8
107.04913	3.3
107.08601	15.6
109.06514	9.4
109.10125	2.0
111.04440	1.8
111.08041	2.5
113.05946	1.6
117.06960	1.4
119.08588	35.8
121.06515	2.6
121.10153	18.4
123.08010	3.9
123.11709	22.6
127.07481	1.7
129.07004	6.3
131.08586	6.9
133.10139	13.4
133.56682	1.1
135.11667	1.3
137.13194	4.9
141.09117	1.5
142.07755	2.7
145.02773	1.2
145.06459	3.2
145.10065	2.9
147.07993	1.7
147.11700	90.1
149.09534	2.1
153.01875	7.0
155.08438	1.5
157.10146	11.6
159.08002	5.0
163.03828	1.8
165.12766	63.7
169.10033	1.3
172.92711	1.2
173.05936	3.7
175.11179	11.5
179.77171	1.1
183.13673	1.8
191.03406	7.2
192.67731	1.1
193.10388	1.4
193.12244	16.8
197.13672	1.4
197.15387	11.1
198.05095	1.1
209.04382	3.5
225.14757	3.2
229.14287	3.4
243.15926	2.5
267.15802	1.9
281.19165	1.6
299.05914	1.8
299.09158	16.5
299.18433	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0914
Annotation	Alfalone
Peak:m/z	Relative Intensity
51.02385	0.3
53.03939	0.9
55.01853	0.2
66.23318	0.2
67.01862	0.3
67.05501	0.5
68.99787	0.4
69.25979	0.2
70.44113	0.6
75.78873	0.2
77.03953	0.4
79.05488	1.4
81.03432	0.2
81.07048	0.7
83.04951	0.2
83.54401	0.2
85.02895	0.3
87.49046	0.2
91.05479	0.7
93.07063	0.2
95.04977	0.8
95.08587	0.4
98.25046	0.2
105.04485	0.3
107.04955	100.0
108.05246	0.3
109.05687	0.2
109.10147	0.2
119.08604	0.4
125.06044	0.3
137.05981	0.4
145.06509	2.5
146.06825	2.0
147.04396	0.4
147.07080	1.1
151.04024	0.2
153.01845	0.7
159.11703	0.2
169.05048	0.2
192.04182	1.5
192.26573	0.2
193.04965	34.1
209.07169	0.2
210.07867	0.4
211.08607	0.4
212.09465	0.5
225.10194	0.3
239.09157	0.2
240.09052	0.2
253.09796	0.2
255.11168	1.2
268.06229	0.2
271.05975	0.2
281.09308	0.5
299.09113	67.9
300.09372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0915
Annotation	6,7-Dimethoxy-4'-hydroxyisoflavone
Peak:m/z	Relative Intensity
53.03936	1.3
55.01860	0.8
55.05511	0.5
65.03935	1.0
67.05518	1.3
69.07065	0.5
69.16620	2.7
72.20811	0.2
77.03919	0.5
79.01875	0.3
79.05478	1.2
81.03429	0.4
81.07048	1.2
83.04951	0.3
89.03905	0.4
91.05470	1.0
93.03421	0.4
93.07035	0.7
95.04964	2.4
95.08588	0.6
96.02124	0.3
97.06503	0.5
98.20822	0.7
103.05476	1.9
105.04523	0.8
105.07031	2.8
106.04169	0.5
107.01308	1.8
107.04960	4.0
107.08606	0.6
109.02885	0.3
109.06454	0.4
109.10235	0.3
110.03644	0.7
111.04429	1.1
115.05456	0.4
117.03391	0.5
118.04208	0.3
119.04953	0.7
119.08601	0.5
121.02869	1.4
121.06467	0.6
124.01577	0.7
125.05971	1.4
131.04933	16.6
131.08577	0.4
132.04771	0.3
132.05724	4.5
133.06502	2.7
133.10066	0.4
134.03633	0.9
135.00740	0.3
137.05977	6.0
139.03922	1.8
141.05428	0.4
145.02844	1.0
145.06487	0.3
147.04425	1.1
147.11687	0.5
149.05988	0.7
152.01041	8.6
153.01839	4.0
153.05453	0.5
153.06920	0.4
155.08595	0.7
157.06544	0.3
159.04422	15.8
160.05176	0.5
161.02374	0.3
162.03131	9.1
165.05478	1.8
165.06996	2.1
167.03421	9.3
167.08559	0.5
167.09860	0.4
170.02173	1.7
173.02353	1.5
177.05493	8.8
177.06903	0.4
181.06474	0.4
182.07314	0.4
183.08086	1.4
185.06000	1.2
190.02629	3.3
193.04932	0.5
195.08105	0.7
197.05939	0.6
199.03932	1.1
199.07468	0.4
205.04971	23.5
208.03694	1.4
211.07550	2.7
213.05481	1.3
221.05963	1.2
223.06017	25.2
239.07040	5.9
245.08250	0.4
246.07608	0.8
249.05478	0.5
255.06557	0.3
256.07315	0.5
266.05780	0.7
267.06470	0.8
281.08090	0.5
283.06061	1.2
284.06778	1.3
299.09146	100.0
300.09491	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0913
Annotation	Eucomin
Peak:m/z	Relative Intensity
53.03934	0.6
54.82381	0.5
55.01863	0.8
59.01281	0.5
65.03923	1.0
69.03416	1.1
71.40080	0.7
79.01859	2.5
79.05506	2.4
81.03410	3.3
81.34406	0.4
89.03903	0.6
91.05493	3.0
93.03394	0.6
95.01320	0.9
97.02888	0.8
102.04662	1.2
103.05450	1.4
107.01322	4.9
107.04956	3.8
108.40273	0.5
109.02850	2.0
115.05440	2.4
117.03365	0.5
117.07019	1.0
121.06507	4.9
123.00769	1.2
125.02348	3.1
127.03922	1.1
129.79045	0.4
130.04161	2.4
131.04922	2.6
132.05721	0.5
133.06470	1.1
135.00827	0.4
135.04462	2.9
137.02304	0.8
139.03903	2.6
145.02844	6.6
145.06488	22.8
146.07259	6.3
147.08035	3.6
153.01830	38.9
161.05989	0.5
163.02548	0.8
163.03897	10.7
164.89474	0.4
165.07001	0.6
173.02342	3.2
173.05983	21.2
174.06787	1.5
191.03398	39.9
197.09677	0.6
209.04456	13.5
210.06737	0.6
225.09122	1.2
232.06175	1.0
245.07936	0.6
253.08669	0.8
271.09448	0.5
296.01114	0.5
299.09137	100.0
300.09610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0914
Annotation	Eucomin
Peak:m/z	Relative Intensity
53.03947	0.6
55.01865	0.9
55.44092	0.3
65.03931	1.0
69.03435	1.0
70.17664	1.1
79.01850	2.3
79.05498	3.2
81.03416	2.9
89.03912	0.5
91.05481	3.4
95.01315	0.7
97.02890	1.1
98.20845	0.4
102.04683	0.9
103.05466	1.4
107.01312	4.5
107.04960	3.8
109.02859	1.8
109.06577	0.5
111.04356	0.3
115.05441	2.1
117.03391	0.7
117.07014	1.1
119.04977	0.4
119.08633	0.6
121.06512	5.5
123.00806	1.8
125.02367	3.7
127.03923	1.3
130.04140	2.5
131.04936	3.4
132.05675	0.5
133.06512	1.1
135.00780	0.6
135.04436	2.8
137.02322	0.6
137.05978	0.3
139.03909	2.5
143.03419	0.5
143.04932	0.6
145.02856	6.5
145.06487	23.4
146.07263	6.7
147.04326	0.4
147.08057	4.0
152.01105	0.3
153.01831	38.3
161.05986	0.4
163.03905	9.7
165.07040	0.7
166.07805	0.3
173.02391	3.2
173.05988	20.6
174.06674	1.5
191.03397	40.0
197.09621	0.5
199.07529	0.5
207.08136	0.3
209.04463	13.1
209.06465	0.7
225.09152	1.3
232.06047	0.9
245.08145	0.7
253.08636	0.9
271.09653	0.4
299.09137	100.0
300.09540	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09090	0.4
53.03946	0.6
55.01866	0.5
55.05522	2.1
56.96568	3.2
57.03434	0.5
57.04569	0.7
59.04995	0.8
61.01155	0.8
61.02903	0.5
69.03419	1.9
69.84400	2.3
70.06609	0.8
71.05006	0.5
72.08152	0.4
73.02894	0.4
73.06548	1.9
75.02702	0.6
81.07052	0.8
83.04970	1.2
84.08154	0.4
85.02914	4.0
87.04454	0.6
91.05476	1.7
91.08781	0.4
92.67512	0.6
95.04958	0.7
95.08589	0.4
97.02901	2.1
98.20777	0.4
98.97600	3.2
101.06029	8.7
103.91810	0.4
105.07101	0.6
107.04952	0.6
110.03513	1.6
110.97541	0.7
116.98632	1.6
119.04947	0.8
119.07071	4.7
120.08089	0.6
124.03960	5.8
127.03927	1.3
128.04503	0.9
128.98598	0.7
131.04932	0.6
132.08078	0.6
135.03014	0.5
136.06201	21.6
139.03926	0.8
143.00204	0.9
145.01624	0.6
145.04971	1.0
147.04413	4.4
149.04614	8.3
152.05713	1.4
152.06967	0.6
153.01849	1.1
153.04077	1.0
155.54929	0.4
158.99731	0.8
161.01201	0.6
163.03958	1.3
166.07265	100.0
167.05672	12.5
167.07161	0.5
170.99619	0.5
174.09015	0.5
177.00757	0.8
179.08553	1.0
183.08186	0.7
187.29128	0.5
201.00714	0.5
207.08086	1.8
219.01831	0.8
226.07954	0.5
229.05817	0.4
231.05255	0.4
234.11314	0.6
235.07562	2.7
239.06950	1.0
239.11409	1.5
252.10405	0.7
262.10773	1.1
274.57251	0.4
280.11853	0.8
281.08069	1.5
298.09006	3.3
300.06403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1148
Annotation	Nelarabine  
Peak:m/z	Relative Intensity
53.03933	0.4
55.01859	0.5
55.05505	0.9
56.96572	2.2
57.03424	0.8
57.04562	0.6
59.05007	0.4
61.01143	0.4
61.02923	0.5
69.03417	1.1
69.07051	0.2
70.06578	0.5
71.00603	0.2
71.04977	0.4
71.52946	0.3
73.02892	0.5
73.06556	0.4
79.05524	0.2
81.03400	0.5
81.07062	0.5
83.04975	0.4
84.08116	0.4
84.86701	0.3
84.96034	0.2
85.02908	2.0
87.04488	0.4
91.05473	0.9
92.17990	0.2
95.04963	0.4
97.02894	1.1
98.97588	2.8
101.06030	3.0
109.02882	0.3
110.03500	1.7
110.07167	0.3
110.97600	0.3
115.03840	0.3
116.98634	1.3
119.01852	0.3
119.04904	0.5
119.07027	1.1
123.06681	0.5
123.08131	0.3
124.03949	2.4
124.99110	0.4
127.03886	0.5
128.04561	1.2
131.04861	0.3
135.03009	0.9
136.06198	12.3
137.05952	0.3
140.07068	0.5
143.00217	0.5
145.04947	0.3
146.99690	0.3
147.04404	2.0
148.04768	0.3
149.04594	8.6
152.05702	4.1
153.01883	0.5
153.04079	1.0
157.05054	0.3
158.99675	0.7
161.01242	0.5
163.04002	0.9
166.07256	100.0
167.05658	13.2
167.06744	0.3
177.00734	0.5
179.08527	0.6
183.08122	0.4
193.10840	0.6
201.00824	0.3
201.06013	0.5
203.02214	0.2
207.08095	0.9
217.07243	0.5
226.07849	0.3
235.07436	1.3
237.02771	0.5
239.07104	0.5
239.11441	0.6
244.83516	0.2
247.97690	0.3
252.10258	0.4
274.06976	0.6
274.97583	0.3
280.08218	0.3
280.12009	0.3
281.08139	0.7
298.09537	1.7
298.60144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0968
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
57.03423	0.2
60.98855	0.2
61.01157	5.2
61.98182	0.2
63.13357	0.2
64.95888	0.2
69.03420	0.3
70.78473	0.6
75.02712	2.2
97.02892	1.3
103.02220	0.2
119.03532	0.7
120.27138	0.2
136.06195	100.0
137.04590	0.3
137.06468	0.4
145.03189	1.5
160.27806	0.2
163.04280	1.3
270.01663	0.2
298.09695	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.7
56.75517	0.8
56.96574	26.9
57.03447	7.1
57.07070	1.8
57.96995	0.7
61.01145	2.7
61.02934	5.4
65.03929	1.0
69.03442	13.2
69.28099	6.7
70.06590	1.8
71.04999	2.4
71.08620	1.2
71.95261	2.5
72.08147	0.9
73.02925	6.4
75.02710	1.5
78.24720	0.8
79.05480	1.2
80.60326	0.8
81.03421	4.7
81.07043	1.0
82.06596	1.1
83.01308	0.9
84.08157	1.3
84.96037	3.3
85.02921	22.4
86.03240	1.2
87.04465	3.7
87.09702	0.8
91.03976	1.4
91.05492	7.5
93.07037	1.0
95.04983	1.3
96.04545	0.9
97.02911	13.9
97.96795	1.4
98.97599	100.0
99.04465	2.3
99.37188	0.7
99.69403	0.8
101.06004	2.6
105.23056	0.7
107.04946	2.3
109.02876	3.6
109.25798	0.8
110.01284	3.2
110.97585	7.2
112.07584	1.1
112.99132	1.3
116.98639	45.8
118.98135	1.0
119.01823	4.6
119.04974	9.7
119.07015	1.5
122.03626	1.3
123.04466	1.5
124.03947	2.0
124.99101	3.1
126.12791	2.1
127.03938	6.0
128.07104	1.0
128.98615	7.3
130.08623	1.1
130.93307	1.3
131.00134	1.4
132.98085	0.9
134.99686	14.7
135.03084	0.8
135.04463	1.5
136.06204	60.0
137.05997	26.5
138.06325	2.3
139.03918	1.1
140.00215	1.0
140.98532	1.0
141.02187	0.9
142.12274	1.2
143.00197	6.5
145.03177	0.9
145.04967	3.0
146.02339	1.7
146.99632	3.3
147.03259	1.5
147.04430	24.8
148.04771	2.4
152.02306	1.8
152.05771	4.1
152.06873	1.1
152.98656	1.5
153.00722	1.4
153.01877	2.8
155.00185	1.1
155.02795	1.1
156.03348	3.4
157.03560	0.9
158.01303	1.1
158.99669	10.7
160.00172	0.9
161.01262	5.7
161.02899	2.7
161.04735	1.9
163.03877	2.7
165.00635	1.2
166.07288	12.2
166.99495	1.2
167.07124	1.0
168.03320	1.0
169.03464	1.3
170.99660	5.7
172.03833	1.6
172.94368	2.7
173.01241	1.4
173.02754	0.9
174.04401	3.0
175.04544	1.1
176.07851	0.8
177.00723	10.1
178.07291	1.9
179.07005	4.2
182.03377	8.1
182.99704	2.1
185.01173	1.2
186.04425	5.3
186.99086	1.7
187.04578	2.2
189.00726	6.3
190.95384	2.6
191.02298	1.0
191.03888	8.6
193.04417	2.8
193.10883	2.2
199.02724	0.9
199.04424	9.6
199.54500	1.2
200.04399	6.4
201.00771	5.4
202.04932	3.6
203.02216	1.6
204.05417	3.9
205.00172	1.4
207.01778	1.8
208.02988	1.4
208.04959	24.0
208.55109	2.9
213.04373	1.4
217.05534	6.4
217.07259	2.0
217.55469	1.1
219.01814	7.3
219.55714	2.7
223.02788	1.3
226.01208	0.9
231.01964	1.2
232.96478	3.6
235.02837	10.6
237.02821	5.4
239.11438	4.1
241.03816	2.4
243.01735	1.0
244.05954	2.7
249.02705	1.0
250.97398	1.7
253.03908	7.1
254.04085	1.3
256.96487	7.0
257.02872	0.9
259.06339	1.1
261.02866	2.4
265.03955	1.6
265.06586	1.4
266.08789	1.1
271.04922	3.4
274.07004	3.4
274.97540	55.5
279.03915	1.2
280.07144	7.4
289.07587	8.8
289.57651	1.8
292.98602	24.5
293.01794	1.4
295.04752	3.7
297.58884	1.0
297.99121	1.2
298.09027	3.7
298.11786	1.6
298.16370	4.7
309.08539	1.1
313.05927	4.3
315.08209	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81298	0.4
54.04482	0.4
54.98653	0.4
56.96570	9.2
65.03491	0.5
69.59891	0.5
70.02441	0.6
70.02850	1.0
70.98112	0.4
71.95263	3.0
72.31635	0.5
85.02905	1.2
91.05497	0.5
97.02904	0.9
98.20911	0.7
98.97592	100.0
101.00922	0.7
110.97588	0.7
116.98631	33.8
119.01953	0.7
124.03972	1.2
128.98598	0.7
130.93280	1.1
134.99677	6.4
136.06195	6.2
137.06010	0.9
140.00203	1.5
142.04636	0.4
143.00179	0.5
147.04419	1.4
172.94356	4.9
177.00648	0.4
182.03307	0.5
190.95445	2.5
208.63338	0.5
214.95451	3.7
232.96446	3.9
233.01488	1.0
234.06009	0.4
235.02782	0.6
250.97546	1.4
251.02531	1.0
256.96463	15.7
274.97528	70.9
292.98587	30.2
293.03708	1.3
297.99100	1.1
298.09241	0.9
316.00150	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25195	0.8
53.18774	0.8
54.24386	0.9
56.96304	1.7
56.96569	27.8
57.07072	1.9
61.02913	0.9
69.03427	1.3
69.90074	2.9
69.90486	1.9
71.08612	1.1
71.95260	3.0
82.06593	1.0
84.96046	1.3
98.97586	100.0
101.00882	5.6
102.00942	1.7
110.97575	2.0
116.98624	45.4
119.01930	7.2
120.02036	1.6
123.56390	0.8
124.99113	2.5
127.02482	1.3
128.02589	1.0
130.93311	1.8
134.99677	10.3
136.93065	2.2
137.02979	1.5
140.41989	0.8
143.00186	3.7
143.03545	1.2
144.98134	1.1
145.03465	3.1
146.03615	1.7
149.47644	0.8
154.94231	2.4
157.03392	1.2
160.99529	0.8
161.01199	2.5
162.99168	3.0
168.98117	0.9
172.94214	4.5
174.97720	2.0
177.00949	1.1
178.94019	1.1
179.97325	1.6
181.00328	1.1
183.98271	1.3
185.02931	1.0
186.99202	1.0
189.02405	1.5
190.95314	2.0
193.99428	1.1
196.95079	1.2
201.00780	1.4
202.97072	1.1
203.02448	1.0
205.99802	1.2
208.96359	1.5
209.99609	2.0
214.95720	3.3
215.00342	1.1
216.98714	2.2
217.98766	3.0
219.01935	2.2
220.98114	1.0
222.99123	1.0
232.96431	4.3
233.01320	1.3
235.99983	1.9
238.96225	1.1
240.95532	1.6
250.97498	1.7
251.47116	1.7
255.93628	1.4
255.98398	1.1
256.92920	1.4
256.96475	9.5
257.01312	1.2
262.96411	1.6
263.46808	1.8
264.94687	1.1
272.94504	1.1
273.94385	2.1
274.94479	4.1
274.97485	64.8
286.99347	1.2
292.95526	1.2
292.98547	30.8
293.01633	1.2
297.99033	1.8
298.18658	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.279
Annotation	17-Methyl-6Z-octadecenoic acid
Peak:m/z	Relative Intensity
51.28261	0.5
52.47632	0.6
55.01865	0.9
55.05514	17.9
55.19535	0.5
57.03444	1.1
57.07078	8.7
59.05004	4.9
62.69344	0.5
65.03950	0.8
67.05510	9.0
69.03436	2.2
69.07072	100.0
69.24088	1.9
69.24511	3.1
71.04996	1.4
71.08639	2.9
79.05490	4.7
81.07064	26.7
83.04994	1.7
83.08624	21.0
85.06556	3.3
85.10199	2.0
91.05460	2.6
93.07047	11.9
95.04961	0.9
95.08614	27.1
97.06544	4.6
97.10172	5.7
98.21579	0.9
99.08115	3.2
105.07035	2.2
107.08601	12.2
109.10160	16.4
111.08070	2.8
111.11725	14.7
111.12443	1.0
113.09688	1.0
119.08564	0.9
121.06589	0.6
121.10156	10.0
123.11728	9.3
125.09593	1.1
125.13316	0.9
127.11214	1.0
129.12784	1.3
133.10112	1.0
135.11734	5.6
136.51347	0.6
137.13271	4.4
139.11200	7.4
145.06544	1.5
145.10149	0.7
147.39130	0.6
149.13275	8.9
151.14853	2.2
153.12761	0.9
157.10075	0.5
163.14801	2.2
165.16403	1.1
167.14378	2.7
177.16420	2.0
179.17990	1.0
191.17953	1.1
205.19553	2.1
209.19080	2.2
237.09138	0.7
261.25815	4.0
279.26831	9.5
297.07571	2.3
297.11133	1.1
297.27893	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.6
53.26381	1.4
55.01863	5.0
55.05507	5.8
56.99388	1.2
57.03448	10.2
58.96534	1.3
59.05012	1.5
61.02918	5.2
66.17384	1.4
67.05509	8.9
69.03098	1.8
69.03442	26.5
69.07061	6.4
70.44839	4.6
71.04993	8.4
73.02916	4.8
75.44136	1.9
79.00362	1.7
79.05510	10.6
81.03424	24.6
81.07053	19.4
83.04977	3.0
83.08610	3.2
85.02911	37.4
85.06536	1.7
85.23353	1.3
87.04459	2.6
91.05486	15.5
93.06496	3.0
93.07053	51.3
95.04961	8.2
95.08615	16.7
97.02899	14.7
97.06546	5.5
99.04476	12.5
103.03951	3.6
105.07040	22.4
107.04972	4.3
107.08611	44.6
109.02881	4.5
109.06521	6.7
109.10168	16.5
111.04450	4.6
111.08051	1.8
115.03902	3.1
117.07042	5.4
117.39806	1.3
119.08598	14.6
120.08080	1.5
121.06509	4.1
121.10152	20.9
123.04413	1.9
123.08075	2.9
123.11712	6.2
125.06039	1.7
127.03902	9.5
129.05504	1.9
129.06979	3.4
131.04938	3.2
131.08575	8.3
133.06494	5.4
133.10129	18.4
135.08069	4.7
135.11708	51.0
137.05937	1.9
137.09633	4.3
137.13245	2.2
141.07085	1.7
143.08527	5.4
145.04985	3.9
145.06483	13.7
145.10146	10.1
147.08118	2.9
147.09180	49.3
147.11674	14.5
148.06299	3.3
149.09656	3.2
149.13280	4.9
151.07584	2.5
151.11223	4.1
153.01794	3.5
153.12769	17.3
157.10109	4.1
159.08029	5.2
159.11684	12.3
161.09612	2.5
161.13333	2.4
162.07860	5.3
163.08687	46.4
163.11137	3.2
165.12761	3.4
171.11690	2.2
173.13345	2.3
175.08693	100.0
175.11198	4.7
177.12772	10.6
183.11662	1.4
189.12712	4.1
194.02704	7.5
201.12743	4.3
205.09758	7.3
205.12305	1.5
215.11830	4.2
219.13786	4.5
225.12834	1.8
227.81348	1.4
231.13873	1.9
233.15410	1.8
237.09012	1.6
237.14897	1.5
243.11272	7.2
243.13718	3.2
248.10011	2.4
249.14732	2.4
261.12338	5.8
261.14966	8.2
266.11072	3.6
279.13342	21.7
279.16016	9.8
282.08688	1.8
283.51874	1.8
286.70517	1.8
297.04611	2.8
297.07593	14.4
297.11420	6.3
297.14413	68.6
297.17133	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	297.1334
Annotation	Amotin
Peak:m/z	Relative Intensity
53.03951	4.9
55.01863	8.1
55.05515	22.0
56.96570	30.3
57.03426	5.9
57.07050	7.3
57.46721	4.0
59.04987	9.3
61.02925	10.9
67.05496	22.7
69.03413	19.9
69.07066	6.8
70.21822	16.1
71.04980	5.5
71.42955	4.0
73.02929	36.9
79.05489	25.0
81.03423	8.4
81.07080	26.0
81.14423	5.5
83.04983	26.4
84.08149	6.6
85.02920	28.3
87.04460	6.9
89.06049	5.4
91.05464	39.4
93.07057	31.8
95.04980	26.5
95.08607	18.7
97.02901	12.7
97.06522	29.2
98.97574	29.2
99.04444	8.2
103.03928	6.7
103.05477	6.7
105.03408	24.7
105.04472	4.9
105.07022	27.9
107.04955	11.7
107.08572	19.2
108.07002	4.3
109.06520	100.0
109.10146	14.4
111.08080	14.6
113.05975	11.8
116.98611	11.2
117.07016	14.9
117.09151	7.7
119.04946	12.7
119.08591	40.7
121.06487	21.3
121.10133	17.6
123.04414	14.7
123.08070	69.8
124.03986	5.6
125.06013	5.1
127.03894	14.2
131.08551	19.2
133.06451	15.4
133.10143	14.3
135.04457	8.6
135.08076	29.9
135.10161	19.6
136.06146	7.6
137.05997	37.1
137.09608	24.6
138.98466	4.6
139.03877	9.7
139.07521	16.8
143.08582	8.1
145.06410	6.2
145.10162	21.8
147.04404	20.1
147.08040	32.0
147.11681	7.8
149.09657	23.7
149.36700	4.9
150.71240	4.8
151.07553	10.2
159.08047	17.8
159.11700	8.8
161.09656	23.8
163.03873	9.4
163.08629	4.9
163.11189	12.0
165.09135	52.9
169.03456	5.6
173.09628	24.7
175.07550	19.8
175.11201	9.2
177.00687	8.7
177.09137	23.9
179.10634	15.5
181.08597	5.8
182.99638	5.8
187.11145	16.4
191.10652	18.2
193.08591	9.2
195.08653	4.7
195.10118	28.4
197.03000	7.4
201.00677	8.6
201.09052	10.2
203.06985	4.9
205.12196	9.3
215.04106	9.5
215.10634	17.9
219.01701	5.2
219.10158	11.0
221.08084	54.9
222.12492	4.4
233.11690	23.7
235.13327	7.8
237.11324	7.7
239.09114	12.6
243.10107	6.3
251.12659	8.9
261.11249	13.2
279.12210	20.9
283.03003	6.9
297.06439	7.8
297.09686	24.7
297.13477	62.1
299.06213	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	297.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.4
51.02370	0.7
53.00281	0.4
53.03948	5.0
55.01843	0.5
55.05507	0.8
59.04991	0.4
65.03938	0.9
67.05512	1.8
69.03414	2.1
69.07064	0.5
71.53049	0.3
71.53399	0.3
73.04741	0.3
73.50900	0.3
77.03919	0.9
79.05501	2.9
81.03398	1.1
81.07093	0.6
83.04990	4.2
85.02895	1.6
87.04477	1.3
89.06035	2.4
91.05463	0.5
93.03395	1.3
93.07063	0.5
95.04966	10.0
95.08599	0.5
97.02897	0.6
102.69212	0.4
103.03949	2.1
105.03396	100.0
105.04544	3.4
106.03712	0.5
111.04456	7.2
112.32093	0.3
121.02851	2.4
123.04428	4.4
129.05492	5.1
131.06981	0.4
133.06580	0.4
133.08650	0.8
136.06209	0.5
139.03912	3.5
145.06493	0.9
147.04462	0.5
147.06566	1.6
150.07735	0.7
156.64565	0.3
157.04974	3.0
163.03973	0.7
165.05435	0.6
167.08664	0.4
169.03474	0.7
171.05040	0.9
173.06114	0.4
175.06012	1.0
177.05470	0.4
178.32938	0.3
185.04485	0.5
187.04494	0.5
188.81966	0.3
197.02992	1.2
197.06114	0.4
215.04080	1.5
215.07083	0.7
219.02960	0.6
219.06557	0.3
223.07538	0.4
245.45546	0.3
269.04340	0.3
274.07736	0.8
279.08646	5.1
279.23282	0.5
283.03165	0.5
292.08829	0.8
297.09885	0.4
297.11426	0.3
297.14731	0.6
299.06345	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.076
Annotation	3'-Methoxy-4',5'-methylenedioxyflavone
Peak:m/z	Relative Intensity
51.02377	0.2
55.05500	0.2
57.07040	0.2
66.24745	0.1
67.05491	0.2
69.07084	0.2
70.06034	0.6
72.90781	0.1
75.47922	0.1
79.05515	0.2
81.07058	0.4
91.05489	1.5
93.07042	0.2
95.08629	0.2
101.55649	0.1
102.04690	2.1
105.07003	0.2
107.04948	0.2
107.08569	0.2
109.10169	0.2
115.05474	1.5
116.06230	0.2
119.08591	0.2
121.06506	0.2
121.10123	0.2
127.03982	0.2
130.04164	2.1
131.08601	0.2
135.04414	0.5
135.11655	0.3
145.06488	100.0
146.06845	0.4
152.01112	0.2
152.06221	0.4
154.14235	0.1
160.99626	0.2
165.07080	0.2
170.07310	0.2
171.08022	0.3
172.05206	0.5
177.64209	0.2
180.05696	0.5
181.06534	0.2
182.07323	0.3
185.09663	0.2
187.34532	0.1
191.03462	0.2
195.08060	1.1
197.06172	0.1
198.06839	0.4
199.07539	0.2
208.05217	0.4
210.06792	0.6
213.09123	0.3
223.07498	1.6
226.06261	1.6
236.04588	0.7
237.05499	0.5
240.07793	0.3
241.08620	1.1
251.07043	4.3
253.04985	0.6
254.05803	2.2
265.04999	0.4
266.05743	2.1
269.08099	3.0
279.06546	3.4
280.07474	0.2
282.05252	2.0
282.39722	0.1
297.07578	71.2
298.07870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.4
57.07082	5.3
60.04531	33.5
62.82420	0.4
67.05516	5.1
69.03432	0.6
69.07068	5.5
70.07694	1.0
70.08088	1.1
71.05009	0.5
71.08635	2.2
79.05499	4.1
81.06599	0.5
81.07068	6.6
83.04964	0.6
83.08607	1.7
83.52415	0.4
84.08131	1.3
84.09322	0.4
86.09714	24.1
87.04441	0.6
91.05476	3.6
93.07046	5.7
95.04944	1.0
95.08611	6.0
96.05756	1.3
97.06558	0.5
97.10161	0.7
105.07049	5.8
107.07881	0.7
107.08604	12.0
109.06553	0.5
109.10157	4.8
111.08147	0.5
112.07561	0.6
113.06004	0.7
113.20305	0.5
117.07034	0.6
119.08606	4.3
121.10172	3.5
123.11735	1.2
124.31113	0.4
127.11233	1.0
131.08559	1.8
133.10147	3.8
135.07954	0.7
135.11693	6.0
141.12796	0.4
142.12253	0.9
145.10127	3.6
147.11662	4.4
149.09647	0.6
149.13283	0.7
151.11133	0.7
153.09109	3.3
153.12779	0.5
156.13875	1.0
157.10199	0.5
159.11728	3.4
161.13272	2.0
163.11137	1.2
173.13368	0.6
175.14848	0.6
177.12802	0.8
189.16382	1.5
191.17957	2.0
201.16389	2.9
203.17944	4.0
219.17462	2.3
220.18272	0.8
237.18597	3.5
261.22330	0.6
262.21771	0.6
278.21335	0.6
279.23331	2.4
296.22620	4.9
296.29495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
57.03421	0.4
59.43254	0.3
65.03942	0.3
69.03437	0.5
69.07060	0.4
69.40750	1.4
69.41157	0.5
70.06607	0.4
71.04979	0.7
77.30699	0.3
79.05495	0.7
80.30737	0.3
81.07039	0.5
81.62305	0.3
82.80415	0.2
84.41351	0.2
85.02917	2.4
91.05477	1.0
93.05779	0.3
97.02896	1.3
98.97617	0.3
99.04455	0.5
99.08100	1.8
101.02365	0.3
103.05468	0.3
104.04989	0.8
105.07018	0.3
106.06561	0.7
108.04514	1.3
110.06068	0.5
117.05737	0.3
117.09145	4.1
118.05714	0.4
118.06555	8.6
119.08566	0.3
120.08116	30.0
121.08920	5.1
122.06020	0.4
123.04376	0.3
125.02993	0.6
127.03925	0.5
131.04956	0.5
134.06247	0.6
135.04442	0.5
136.07614	0.7
137.02936	0.7
138.03708	1.0
138.09152	1.3
145.06493	0.7
146.09650	4.3
147.04416	0.9
152.05298	27.0
153.06075	2.6
154.06871	4.2
159.06560	0.5
163.03900	1.6
164.07021	0.5
166.08636	0.3
167.09006	0.5
172.11235	0.8
173.05988	0.7
185.06038	0.3
189.05568	0.3
190.08655	5.3
191.09418	5.9
192.10260	0.4
194.10002	1.3
201.05318	0.3
204.08499	0.6
215.07040	0.6
218.11751	9.0
219.06538	0.6
233.08035	0.7
248.09277	0.4
250.09006	0.4
261.09692	0.9
268.10052	0.8
269.64825	0.3
278.08356	3.2
278.10681	0.3
278.13629	0.3
296.09528	100.0
297.09818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2633
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
53.03939	0.7
55.01891	0.7
55.05511	12.4
57.03436	1.5
57.07078	5.1
59.05000	1.8
67.05508	8.4
67.05842	0.8
68.23746	0.4
69.03427	3.6
69.07070	100.0
71.05013	1.7
71.08635	1.5
71.53145	0.5
73.06515	0.5
79.05506	3.0
81.07059	20.1
83.04959	0.9
83.08618	7.5
84.50179	0.4
85.02910	1.7
85.06564	2.1
85.10192	0.9
91.05499	0.9
93.07033	5.7
95.05001	1.0
95.07993	0.6
95.08610	12.1
97.02898	1.3
97.06527	3.3
97.10152	2.9
98.97611	0.9
99.04489	0.6
99.08115	2.0
105.07065	2.8
107.08598	5.5
109.02895	0.5
109.06537	1.9
109.10163	15.9
111.08121	1.1
111.11724	29.5
113.09673	0.5
115.03939	1.2
119.08591	2.0
121.10155	6.4
122.17072	0.4
123.08083	0.8
123.11706	8.1
125.09618	0.7
127.03881	0.7
127.11254	0.9
129.12749	3.2
133.04987	1.1
133.10156	1.6
135.11707	2.5
137.09627	0.9
137.13283	2.0
139.11183	26.5
141.12752	0.8
147.11674	2.1
149.13252	2.9
151.14832	0.5
153.12730	0.8
157.06317	0.4
157.12199	3.5
163.14822	1.3
165.12767	0.7
167.14351	0.5
169.05043	0.5
173.20821	0.5
177.16402	0.9
189.16429	0.6
193.15938	1.5
207.17567	0.7
209.19073	0.6
221.19069	0.5
228.77193	0.4
259.24277	1.6
277.22168	0.9
277.25201	6.6
295.05740	0.7
295.26318	37.3
296.26746	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03947	5.2
55.01857	5.1
55.05513	23.1
57.03421	3.4
57.07086	23.4
57.47386	2.6
63.34007	2.8
67.05232	2.7
67.05514	31.1
69.07066	17.9
70.56252	8.6
71.04990	4.3
79.05505	26.4
81.03423	15.2
81.07064	32.5
83.04974	10.7
83.08606	10.4
85.10192	56.3
91.05490	27.2
93.07050	21.9
95.04968	18.5
95.08609	22.5
97.06527	5.8
97.10162	8.6
105.07070	16.1
107.04950	14.3
107.08607	8.7
109.06549	6.2
109.10152	8.1
111.08059	4.7
113.09657	75.0
117.06960	3.2
119.08602	6.3
121.10159	4.6
123.08096	6.4
123.11637	3.3
125.09637	3.7
129.06999	5.4
131.08563	4.4
133.10143	5.7
135.11742	4.9
143.08633	2.8
145.10110	5.6
147.11687	12.0
149.09653	9.6
151.11188	7.8
161.13313	4.7
163.11223	8.3
165.12769	55.3
171.11722	4.4
175.11139	6.2
179.14328	3.9
185.13356	3.2
225.94344	3.1
256.68185	2.9
259.20724	6.1
277.18820	5.3
277.21637	65.6
295.22717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03952	12.4
55.01866	4.8
55.05516	18.7
57.03439	1.5
57.07074	5.0
67.05511	44.0
69.03423	1.9
69.07076	34.6
71.04998	1.9
71.08636	5.1
79.05071	2.0
79.05505	27.8
79.61665	1.1
81.03427	53.2
81.07065	38.7
83.04988	11.9
83.08635	6.6
85.06563	2.1
85.10190	1.8
91.05479	15.7
93.07044	28.1
95.04983	30.3
95.08616	15.7
97.06554	3.0
97.10193	4.9
98.20705	2.5
99.08121	4.5
105.07040	18.8
107.08604	18.7
109.06512	7.1
109.10168	12.0
111.08126	3.3
113.09689	2.1
117.07008	2.1
119.08604	9.9
121.06501	2.5
121.10155	7.7
123.08102	2.2
123.11700	6.2
125.09640	5.8
129.07039	2.9
131.08571	4.7
133.06499	1.4
133.10153	16.3
135.08122	3.1
135.11720	8.0
137.09666	2.2
138.54883	1.3
143.08670	1.5
145.10107	2.4
147.08076	2.7
147.11697	12.9
147.28264	1.3
149.09615	1.8
149.13243	5.2
151.11198	34.5
153.09097	3.5
153.12776	1.3
157.10080	2.8
159.11736	2.5
161.13301	10.8
163.14824	2.4
165.11565	1.3
165.12730	7.2
171.10291	1.4
171.11757	4.6
173.13344	1.6
175.11180	2.1
175.14899	2.7
177.12775	2.4
179.10664	1.6
179.14374	5.2
185.13176	1.6
189.12802	2.7
193.12228	1.9
207.13876	3.6
217.19603	1.7
231.21092	8.5
241.19550	5.1
249.22173	3.8
249.24841	1.5
259.20648	9.1
277.21655	100.0
278.21863	1.3
291.97256	1.4
295.22751	3.7
318.34875	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.01624	1.5
53.03950	1.8
55.01858	1.8
55.05515	15.5
57.03431	2.9
57.07079	2.9
60.42600	1.5
61.61750	1.5
64.60054	1.5
67.05507	32.9
69.07074	15.4
69.24117	12.3
70.31781	1.4
71.05019	2.7
71.08630	33.0
79.05493	30.9
79.05913	2.5
81.03423	7.6
81.07065	36.8
83.04995	7.4
83.08625	8.1
85.06573	1.8
88.96289	1.5
90.31039	1.8
91.05492	18.5
93.07046	42.6
95.04442	1.5
95.04991	6.0
95.08610	27.5
97.06557	7.3
98.20650	1.9
99.08096	30.2
105.04536	1.5
105.07045	13.9
105.93983	1.9
107.04980	5.4
107.08589	19.9
109.10161	9.5
113.09685	2.6
117.07014	3.3
119.08595	6.7
121.10151	20.2
123.08121	2.2
131.08597	3.6
133.10181	7.9
135.11699	34.7
137.09688	2.9
141.09172	3.4
143.08569	2.0
145.10204	4.3
147.11694	3.7
149.13202	8.3
151.11162	13.2
153.12807	2.1
159.11755	3.0
161.13347	7.9
163.11198	4.1
163.14740	2.1
177.12784	3.1
179.14319	100.0
181.12282	2.5
185.13321	2.7
189.12825	3.7
190.72487	1.9
195.13884	2.8
221.15375	3.4
235.16922	4.4
241.19447	2.0
244.06841	1.8
259.20697	4.4
277.21643	42.7
295.22720	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	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03929	3.4
55.01873	27.4
55.05511	56.4
57.03415	6.7
57.07064	5.5
67.05505	75.8
69.03421	3.9
69.07072	26.6
69.85405	9.0
71.04979	5.2
71.08627	32.3
71.95743	2.2
74.05585	2.3
79.05495	43.6
81.03420	12.5
81.07058	75.5
83.04984	17.1
83.08624	34.3
85.06534	5.4
85.10184	5.0
91.05483	31.4
93.07044	54.2
95.04971	17.2
95.08613	41.5
97.06541	14.7
97.10161	15.7
99.08092	28.7
105.07021	26.0
107.04953	4.3
107.08588	32.9
109.06519	6.9
109.10154	20.2
111.08081	39.0
113.06017	2.2
113.09626	3.5
117.07001	8.7
119.08566	16.7
121.10147	17.6
122.43576	2.7
123.08061	4.4
123.11718	6.4
125.09639	20.6
129.06995	3.2
131.08554	9.2
133.10164	28.2
135.08104	3.3
135.11668	18.4
137.13277	4.0
139.11188	8.2
143.08554	5.4
145.10121	7.0
147.11684	16.8
149.09607	6.9
149.13242	16.0
151.11180	24.4
153.09023	3.2
153.12714	3.0
157.10109	4.7
159.11697	8.3
161.09590	2.8
161.13287	15.0
163.11198	8.6
163.14789	3.2
165.12740	9.3
167.14278	2.7
171.11694	3.6
171.28130	2.4
173.13263	4.5
175.11203	4.0
175.14822	5.3
177.12857	3.0
179.14352	8.1
181.12241	3.6
189.11214	13.9
193.12234	6.3
195.13812	7.3
199.14795	3.4
207.13762	2.7
221.15395	3.7
228.60791	2.5
231.20927	4.2
235.16844	2.8
241.19435	4.4
241.41634	2.4
249.21992	3.5
259.20605	9.5
262.36697	2.3
277.21625	100.0
295.22693	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	295.129
Annotation	gamma-Glutamylphenylalanine
Peak:m/z	Relative Intensity
55.01867	0.4
55.05506	0.4
56.05043	0.6
57.03441	6.5
57.07066	0.3
58.06604	15.8
61.47447	0.3
67.05489	0.3
67.12946	0.3
69.03426	0.8
69.07064	0.5
71.53979	0.3
71.93271	0.3
73.02924	0.4
74.02444	9.4
79.05505	1.0
81.03432	0.3
81.07088	0.4
83.08648	0.4
84.04511	3.6
85.02895	1.1
86.09735	0.4
87.04493	0.7
88.04012	0.4
91.05466	1.4
93.07047	1.4
94.06605	0.4
97.02904	0.6
97.06561	0.4
97.10184	0.6
99.04462	0.5
100.02222	0.6
102.05554	6.0
103.05459	4.3
105.06982	0.3
107.04982	1.8
107.08563	0.5
119.04924	0.7
120.08112	100.0
121.02868	1.3
121.08469	0.3
127.03945	0.4
130.05022	1.0
130.06546	2.6
131.04922	3.0
134.08153	0.8
136.06195	2.8
136.07140	0.3
136.07637	0.3
139.03917	0.8
146.02728	0.3
146.06029	1.7
147.04440	1.2
147.09219	0.4
147.11653	0.3
148.04778	1.1
149.05988	1.8
150.07753	4.7
151.03841	0.3
158.09639	1.2
160.11206	2.2
162.04124	1.1
163.03899	0.6
163.12372	0.8
164.13094	0.6
166.08650	33.8
176.07079	1.0
177.01863	0.3
181.05009	0.9
186.09227	0.3
189.13850	0.4
195.02989	0.7
203.11868	2.5
203.15540	0.4
204.10219	0.5
205.04901	0.4
215.11993	0.4
217.13420	0.3
229.05109	0.4
231.06525	0.4
231.11311	1.2
231.15028	0.6
232.09694	1.9
247.06003	1.7
249.12357	26.5
277.12131	0.6
277.15518	3.0
288.61804	0.3
295.05740	2.3
295.12918	14.0
295.16556	6.1
311.23590	0.4
318.11157	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2067
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.05502	0.3
57.07063	0.5
67.05507	0.9
69.07060	0.3
69.83720	0.2
70.73808	0.5
71.08610	0.2
78.89152	0.1
79.05504	0.5
81.07063	1.8
91.05471	0.5
93.07037	0.3
94.04192	1.6
95.04992	0.2
96.88072	0.1
97.06489	0.2
106.07520	0.2
107.04935	0.3
107.08596	0.5
108.08922	0.2
109.06501	0.5
115.72494	0.1
121.94254	0.2
122.03654	5.9
123.11710	1.6
137.05986	100.0
138.06287	0.4
139.11174	0.2
155.40749	0.2
158.15425	1.3
158.63335	0.2
170.15411	2.5
217.37079	0.2
238.11536	0.3
276.20337	0.7
294.20917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1004
Annotation	TRIADIMEFON
Peak:m/z	Relative Intensity
51.02391	1.6
55.01866	2.4
55.05501	6.5
56.05843	2.8
57.07078	27.0
60.16017	1.6
67.05502	13.2
68.05831	5.1
69.07068	100.0
70.07840	6.0
78.44644	1.7
79.05502	8.7
80.05831	4.2
81.07059	20.6
82.07377	9.2
83.08623	1.9
91.05489	10.0
92.05824	4.1
93.07035	6.6
94.07356	5.1
95.04958	3.7
95.08595	8.1
96.08939	5.0
105.04527	2.3
105.07027	6.1
106.07356	5.2
107.04942	1.7
107.08608	5.6
108.08901	2.2
109.06528	3.3
109.10152	6.5
110.06845	3.9
110.10482	2.8
113.01555	2.4
115.07570	29.0
117.07022	1.9
119.08575	8.1
120.08924	8.0
121.10133	2.5
121.19908	1.8
122.10519	1.9
123.08073	1.8
124.12054	1.6
125.09586	1.8
126.99483	9.1
129.01047	15.3
130.47081	2.1
131.08583	2.5
133.10132	5.9
134.10452	6.8
136.08423	2.0
137.06004	2.6
138.09947	2.2
141.01027	19.1
147.11719	3.4
148.12100	4.3
155.02588	7.7
159.11699	2.9
164.11537	2.6
184.07332	2.1
187.19624	2.0
197.07289	71.8
216.56892	1.8
225.06789	4.4
241.84853	1.8
258.19394	4.5
276.20441	25.4
294.10040	37.1
294.21255	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	294.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82656	0.2
57.15306	0.2
58.99597	1.1
65.03937	1.0
70.06570	0.2
71.54119	0.4
84.04511	0.9
85.02865	0.2
86.99055	1.0
87.75582	0.2
91.05486	9.0
94.76132	0.2
97.02878	0.5
100.02206	3.9
102.05544	2.9
103.61994	0.2
105.00098	0.8
119.04951	24.8
120.05236	0.4
120.08081	0.3
121.02863	1.0
123.04433	0.7
124.02182	0.3
124.04763	1.3
125.04957	0.5
126.05308	0.3
127.03923	1.3
129.00085	0.3
129.99567	0.3
130.05013	1.9
139.03917	1.2
140.04271	1.3
141.04382	1.2
142.04681	0.7
144.01170	1.0
146.02725	4.7
147.04419	100.0
148.04732	0.6
148.05911	0.3
150.05316	0.2
152.01756	0.3
160.04297	1.0
165.05397	0.3
188.03751	0.5
190.01723	2.6
198.02299	0.2
202.05344	0.9
206.04831	1.9
212.03796	0.7
216.03316	0.4
230.04756	0.4
234.04303	1.1
234.13406	0.3
248.06006	0.9
248.09311	0.4
252.74742	0.3
276.05420	0.8
294.06403	1.6
294.09702	1.2
294.17950	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2843
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03964	1.2
55.01880	2.0
55.05267	1.4
55.05520	20.0
57.03466	0.7
57.07083	15.4
59.05012	1.3
67.05514	30.1
69.03439	3.3
69.07077	50.9
70.06599	2.1
71.04990	3.6
71.08649	6.7
71.54252	1.1
79.05508	10.4
81.07068	99.3
83.04996	1.6
83.08631	27.8
85.06555	12.2
85.10195	2.4
91.05009	1.0
91.05490	5.6
93.07056	22.6
95.05000	2.0
95.08620	100.0
97.06538	3.0
97.10181	16.2
98.97602	0.9
99.08108	7.6
101.06047	0.8
105.07053	6.5
107.08608	24.7
109.06533	2.7
109.10172	54.9
111.04402	0.8
111.08096	7.8
111.11732	9.5
113.09641	1.6
117.07012	1.5
119.04974	0.8
119.08604	5.4
121.06516	1.2
121.10158	15.0
123.08118	0.9
123.11725	38.0
125.09621	4.3
125.13297	5.8
127.11222	0.9
129.18840	0.9
131.04955	1.8
131.08571	2.8
133.10190	3.9
135.08069	1.8
135.11713	10.8
137.09621	2.8
137.13274	45.2
139.11176	2.1
139.14862	1.4
145.10139	2.6
147.04442	1.7
147.11708	2.7
149.02379	1.2
149.09662	1.7
149.13281	20.7
151.11224	1.2
151.14844	6.0
153.12756	2.1
155.14326	1.1
159.11714	2.4
160.31596	0.7
163.11230	1.4
163.14868	6.6
165.16425	4.5
167.14345	11.0
173.13327	1.3
177.16454	3.0
179.17993	3.6
181.15967	0.8
183.11652	0.7
191.14355	1.5
191.18011	2.2
193.19617	1.7
197.13310	0.9
205.19548	1.5
219.21097	2.0
223.20668	1.6
237.22261	0.8
247.24310	1.3
249.25778	2.7
275.20200	4.8
275.27310	7.1
293.13904	1.6
293.17969	1.4
293.21436	6.7
293.24960	2.2
293.28400	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
52.04686	1.9
53.03939	5.0
55.01866	6.2
55.05519	18.9
57.03206	1.8
57.03445	16.8
57.07082	15.7
59.93113	2.2
65.03922	3.9
67.05188	1.3
67.05510	36.7
69.03414	1.9
69.07074	11.6
71.04997	6.0
71.08647	2.2
79.05498	35.2
81.03406	5.2
81.07062	68.2
81.12668	1.8
83.04982	7.3
83.08656	11.8
84.08234	1.9
85.06534	5.5
91.05486	40.8
93.07047	32.9
95.04978	13.0
95.08626	27.5
97.02948	2.1
97.06536	8.9
97.10184	2.5
97.99014	2.2
99.04460	8.0
99.08096	4.0
105.07040	24.1
105.36481	2.0
107.04956	6.1
107.08599	22.3
109.06519	27.2
109.07187	3.2
109.10181	10.6
111.04439	12.0
111.08041	3.7
116.88474	1.9
117.07009	15.2
118.96810	4.4
119.08588	21.5
121.06514	6.2
121.10146	13.8
123.04428	2.6
123.08066	7.5
123.11738	4.3
125.05993	2.4
125.09656	4.0
129.07045	4.5
131.08554	20.9
133.10158	19.7
135.08076	4.4
135.11743	10.0
137.09627	10.4
137.13245	1.9
145.10120	13.4
147.04485	3.2
147.11665	9.9
149.09630	12.3
149.13266	4.1
151.11195	3.1
152.28664	2.1
153.05461	2.7
157.10150	3.3
159.11667	10.2
161.13286	4.2
163.11208	7.2
165.09158	2.4
173.13199	3.1
175.11272	1.9
175.14943	2.3
177.12791	3.6
181.04968	4.1
181.12170	2.1
183.10298	2.9
185.13301	7.1
191.10666	6.0
193.12207	2.0
197.74747	2.3
201.16400	7.4
203.14297	4.9
209.11700	13.8
219.10320	2.2
219.17458	100.0
229.19450	2.5
233.11769	2.3
237.11253	25.3
247.20587	8.5
257.19037	5.8
258.69342	2.0
265.21524	3.7
275.20071	51.4
293.17838	3.7
293.21133	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	4.4
55.01881	10.0
55.05513	28.1
57.03425	2.2
57.07064	3.1
59.05015	1.6
65.03936	1.8
67.05508	38.9
68.33820	1.1
69.03425	3.9
69.07075	25.5
70.07397	1.6
70.79616	2.6
71.04989	4.2
79.05495	31.6
81.03431	5.7
81.07061	72.6
83.04996	8.1
83.08632	14.9
84.08987	1.2
85.02902	3.1
85.06538	4.5
87.04514	1.3
91.05490	29.4
93.07047	31.9
95.04979	11.3
95.08612	37.5
97.02938	1.8
97.06541	15.4
97.10184	17.3
98.97617	1.4
99.08083	2.6
103.05450	2.0
105.07034	31.3
107.04971	9.0
107.08604	43.5
109.06525	14.3
109.09454	2.1
109.10165	22.3
111.04436	1.2
111.08079	3.8
115.03148	1.0
115.05460	1.3
116.98660	1.4
117.07017	7.9
119.08595	23.1
120.76120	1.1
121.06509	6.4
121.10151	17.4
123.08095	7.6
123.11716	8.0
125.09637	9.1
129.07014	3.1
131.08583	12.7
133.10144	22.1
135.08107	5.3
135.11671	9.7
137.09598	6.0
137.13287	2.8
139.11133	1.7
141.07043	1.9
141.09152	1.3
143.08582	2.7
145.10124	13.5
147.08067	2.4
147.11690	16.9
149.09639	13.7
149.13278	4.8
151.11153	7.6
151.14769	1.9
157.10161	3.1
159.11705	12.2
161.09628	1.2
161.13293	5.8
163.11177	7.4
163.14821	2.1
165.09171	4.7
165.12788	3.6
169.10136	2.7
171.11671	2.0
173.09662	2.1
173.13271	7.3
175.11244	2.4
177.12772	3.9
181.12218	1.3
183.11684	2.5
187.11211	2.2
187.14766	1.5
189.11264	5.3
189.12738	1.7
191.14410	3.3
193.12292	1.9
195.13907	1.3
197.13307	3.0
205.12306	1.3
215.18011	2.4
219.13770	1.4
221.11293	2.8
223.13368	2.0
229.19530	2.9
232.61977	1.4
233.15533	1.4
233.18858	1.2
237.14879	2.5
239.17990	7.0
247.20609	7.0
257.18945	12.0
265.21616	2.4
275.20084	100.0
276.20306	1.5
280.82043	1.3
293.21176	45.8
293.24634	2.6
293.28088	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	2.0
55.01867	3.4
55.05515	22.3
57.03426	2.9
57.07063	2.6
59.04991	0.8
63.65342	0.7
67.05506	19.6
69.03421	2.0
69.06733	1.2
69.07075	17.3
69.63706	2.1
69.64113	2.2
71.04975	2.9
79.05068	1.3
79.05495	14.2
81.03439	4.1
81.07061	30.1
83.04973	2.9
83.08623	5.9
85.02871	1.0
85.06562	3.7
91.05485	13.9
93.07048	21.2
95.04975	8.4
95.08614	28.7
97.06039	0.6
97.06539	5.9
97.10176	27.1
98.98497	1.0
99.04449	1.3
99.08085	1.0
101.06048	0.9
103.05469	1.2
103.65873	0.8
105.07040	18.9
107.04991	3.8
107.08598	20.6
109.06520	16.8
109.10158	14.6
111.04478	0.7
111.08064	2.3
111.11714	0.9
113.05999	0.8
113.09597	1.4
117.07021	4.7
119.08594	12.4
121.06509	3.9
121.10146	13.8
123.04476	0.8
123.08109	6.3
123.11713	6.7
125.05973	1.8
125.09637	9.6
127.03881	0.7
129.07011	1.7
131.04951	3.0
131.08580	8.4
133.10141	15.1
135.08060	2.4
135.11707	6.6
137.05972	1.0
137.09628	2.5
137.13251	1.9
139.11198	1.6
141.09105	2.1
142.07675	0.8
143.08559	1.6
143.10686	2.7
144.09383	0.9
145.10129	8.3
147.08040	1.8
147.11685	7.5
149.09622	15.2
149.13263	3.4
151.07462	0.7
151.11192	6.4
157.10147	1.5
159.11702	8.5
161.09645	4.4
161.13280	4.1
163.11205	5.6
163.14862	1.8
165.12759	2.2
169.12228	0.8
171.11751	0.9
173.09679	1.0
173.13268	7.6
175.11192	1.3
175.14806	1.2
177.12762	8.5
179.10638	2.0
179.14336	0.8
183.11684	1.0
187.11140	2.0
187.14847	2.5
189.11224	1.3
189.16412	1.2
191.14290	2.3
193.09744	1.4
193.12306	2.3
197.13376	0.9
199.14818	1.1
201.12701	0.9
201.16383	1.5
203.17986	0.8
205.15991	0.8
207.13762	1.1
215.14302	1.3
215.17979	1.6
217.15913	0.8
219.13776	3.5
223.13327	6.0
229.19537	3.6
233.18988	1.5
237.14888	10.2
239.18007	2.0
247.20682	5.0
257.18997	7.6
275.20074	32.8
293.21124	100.0
294.21054	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03954	5.8
55.01876	26.1
55.05519	27.1
55.71579	2.0
57.07077	2.3
65.03919	2.5
67.05180	2.6
67.05515	30.9
69.03454	2.1
69.07078	19.7
70.16495	1.8
71.04997	4.5
71.28048	2.7
79.05073	3.5
79.05503	52.4
81.03423	8.0
81.07059	29.8
83.04980	5.3
83.08618	15.5
91.05493	31.4
93.07050	31.6
95.04983	6.8
95.08623	21.5
97.06535	27.1
97.10179	18.8
105.07034	38.2
107.04950	9.1
107.08610	91.4
109.06546	3.6
109.10167	9.5
111.08085	2.8
113.09539	2.1
117.07039	7.9
119.08581	21.1
121.06544	5.6
121.10170	12.1
122.03617	2.3
123.08074	5.3
123.11775	2.4
125.09631	19.9
129.07025	2.8
131.08601	10.5
133.10130	22.5
135.08070	5.7
135.11740	8.6
137.05998	20.2
137.09636	3.0
143.08609	4.5
145.10156	16.7
147.11708	19.4
149.09648	16.8
149.13280	2.5
151.11200	4.6
157.10188	3.6
159.11737	7.9
161.09682	2.1
161.13249	4.0
163.11206	7.0
165.09093	5.2
169.10146	3.2
171.11711	3.6
173.13315	3.0
177.12798	4.7
181.12273	3.0
187.11256	5.1
187.14938	2.9
189.11287	17.0
213.16335	2.4
224.75470	2.0
229.19720	3.6
239.18040	5.9
247.20671	5.6
249.01158	2.0
257.19110	11.3
261.34433	2.0
275.20096	100.0
293.21133	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.02396	1.2
53.03942	3.1
55.01876	7.8
55.05271	1.6
55.05515	22.8
57.03434	1.1
57.07084	1.3
64.56400	0.8
65.03943	2.1
67.05511	17.2
67.29226	0.9
69.03426	2.1
69.07077	11.7
71.04990	1.1
79.05500	39.1
81.03414	2.8
81.07064	20.1
83.04981	5.2
83.08618	13.3
85.06547	1.4
91.05484	22.8
93.07048	16.3
95.04987	5.0
95.08617	12.8
97.06536	8.5
97.10172	18.3
103.05484	0.9
105.06328	1.0
105.07037	28.6
107.04960	6.3
107.08601	100.0
109.06527	5.9
109.10165	6.7
110.59301	0.9
111.08091	1.6
117.07031	5.3
119.06060	2.0
119.08581	14.5
121.06535	1.6
121.10153	6.5
123.08086	3.3
123.11726	3.6
125.09634	15.8
129.07025	1.3
131.08585	8.9
133.10141	14.7
135.08047	4.6
135.11713	4.7
137.09535	2.0
137.13203	1.0
143.08540	1.8
143.10680	1.4
145.10136	10.9
147.04337	1.1
147.07985	1.5
147.11691	9.3
149.09613	10.1
149.13280	2.2
151.11189	2.1
153.09137	1.7
153.12697	1.1
157.10120	2.2
159.11682	5.8
161.13264	3.4
163.11188	3.3
165.09140	1.6
167.10730	0.9
169.10062	1.5
171.10242	1.9
171.11710	2.5
173.13269	3.1
177.12807	1.8
181.12213	2.4
183.11752	2.1
187.11179	1.2
189.11244	15.7
197.13290	1.5
201.12701	1.0
215.18036	1.2
229.19496	2.0
233.19037	1.0
239.18010	3.1
247.20604	1.4
257.19064	9.4
275.20081	79.1
293.21207	10.6
293.27850	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03920	2.3
55.01867	14.5
55.05273	3.5
55.05514	52.7
57.03421	2.9
57.07072	2.7
59.04991	3.5
62.69260	2.0
65.03938	2.7
66.39959	2.4
67.05505	43.4
69.03436	4.0
69.07066	14.9
69.72489	4.9
69.72906	7.1
71.04982	6.0
79.05495	91.0
79.52727	2.2
81.03419	4.1
81.07058	34.6
83.04985	26.6
83.08611	21.1
83.09945	2.1
85.06552	4.5
91.05480	32.3
93.07050	47.2
95.04950	8.0
95.08614	19.3
96.67745	2.3
97.06544	16.2
97.10171	24.8
105.07041	34.7
107.04964	42.2
107.08599	60.6
109.06533	5.2
109.10149	20.6
117.07018	12.0
119.08589	25.5
121.06540	3.1
121.10146	23.4
123.08057	4.4
123.11694	9.4
125.09641	27.8
131.05307	1.9
131.08571	16.4
133.10149	20.9
135.08058	10.7
135.11684	4.4
135.68636	2.3
145.10115	11.7
147.11708	16.2
149.09628	76.4
149.13269	3.7
150.34795	2.1
153.09116	4.5
155.10640	3.1
159.11711	9.3
161.13261	7.8
163.11163	5.9
169.10062	2.3
169.12248	6.0
171.10176	3.9
171.11685	3.4
173.11784	5.6
173.13300	8.2
177.12779	3.3
187.11180	4.2
189.11259	16.4
191.14484	3.0
197.13217	2.4
209.11642	2.3
209.15395	7.0
229.19507	9.5
237.11253	5.7
239.17964	4.8
247.20563	5.3
257.18994	18.9
275.20071	100.0
281.39819	2.4
293.21042	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	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03945	1.7
55.01866	2.9
55.05514	11.0
57.07073	2.2
58.40254	0.9
62.67675	0.8
65.03945	1.5
66.04133	0.8
67.05508	22.8
69.03437	0.9
69.07070	19.1
70.08453	3.7
71.04991	2.6
71.85453	0.8
75.66934	1.0
79.05499	13.5
81.03426	1.4
81.07063	24.2
82.21229	0.8
83.04977	6.5
83.08624	4.3
85.06534	1.4
91.05495	13.5
91.06036	1.5
93.07046	19.7
95.04963	6.5
95.08617	15.0
97.06548	3.2
97.10194	2.7
105.07037	19.4
107.04966	4.9
107.08599	12.3
109.06517	7.4
109.10161	8.6
111.08085	1.2
117.07007	5.6
119.08582	11.9
121.06516	7.0
121.10137	7.3
123.08080	4.2
123.11735	2.8
125.09617	1.3
129.07025	1.7
131.08562	11.7
133.06535	2.3
133.10141	14.7
135.08072	2.5
135.11716	3.5
137.09676	1.7
143.08591	1.8
145.06528	2.5
145.10132	7.6
147.08102	2.4
147.11702	10.2
149.09619	4.9
149.13315	2.6
151.11209	6.7
155.08530	1.6
157.10185	3.1
159.11714	4.7
161.09636	2.3
161.13301	2.7
163.11189	4.5
163.14986	1.0
165.09181	0.9
169.10075	1.2
171.11757	1.4
173.09695	1.7
173.13263	4.4
175.11267	1.5
177.05446	1.0
177.12871	1.2
177.36549	0.9
179.14346	0.9
183.11748	1.3
185.13127	1.1
187.11241	1.9
187.14900	1.1
191.14302	1.8
197.13339	1.9
201.12880	0.9
207.13858	3.2
215.14357	1.7
215.17882	0.9
219.13887	4.2
219.57675	0.9
229.19551	1.6
239.18079	3.0
247.20708	2.9
257.19019	13.1
270.63327	0.8
275.20078	100.0
276.20367	1.3
293.21173	32.3
304.54456	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03946	3.7
55.01876	5.0
55.05513	14.4
57.03439	2.1
57.07065	2.6
57.12312	0.9
63.01643	0.8
65.03935	2.3
67.05509	32.0
69.03431	1.1
69.07071	14.3
71.04981	2.6
77.03922	0.9
79.05499	34.3
81.03429	6.9
81.07061	100.0
81.43301	0.8
83.04990	5.0
83.08621	9.7
85.06542	3.2
91.05490	22.8
93.07050	18.9
95.04973	9.9
95.08614	17.4
97.06550	6.2
97.10172	2.5
99.08096	1.9
105.07041	24.7
107.04966	8.5
107.08602	13.2
108.94020	0.8
109.06526	42.4
109.10168	8.6
111.08102	4.5
113.06016	1.0
117.07023	6.8
119.08588	19.5
121.06530	4.3
121.10155	12.5
123.04449	0.8
123.08066	8.3
123.11718	5.4
125.09644	2.4
129.07005	2.0
131.08582	8.7
133.06517	1.3
133.10138	18.7
135.08063	4.3
135.11688	5.2
137.05901	0.8
137.09641	4.1
139.07613	0.8
141.07019	1.5
143.08597	0.9
143.15721	1.1
145.10124	10.4
147.11703	15.4
149.09625	9.3
149.13225	7.2
151.11214	5.2
155.08539	1.3
156.69411	0.8
157.10121	3.9
159.11685	7.2
161.09665	1.5
161.13249	3.6
163.11197	7.0
163.14830	1.8
165.12756	3.6
171.11687	1.6
173.09628	2.3
173.13287	3.6
175.11166	3.1
177.12772	2.4
183.11632	1.8
185.13232	0.9
187.11154	1.6
187.14838	2.0
189.12756	1.1
191.14336	1.4
193.12308	4.4
205.15903	1.4
207.13931	1.4
209.11743	1.1
215.14326	2.2
219.13777	1.3
219.17448	1.1
223.13200	1.1
229.19461	2.1
239.18015	2.8
247.20638	5.3
257.19016	5.5
275.20084	63.1
293.17899	1.4
293.21112	33.9
293.28329	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03935	6.5
55.01878	8.2
55.05278	1.6
55.05515	20.0
57.03426	5.2
57.07066	4.7
65.03908	2.9
67.05505	45.4
68.43490	1.7
69.03403	1.7
69.07072	24.4
70.23928	6.1
71.04983	4.6
79.05495	43.9
81.03417	4.8
81.07059	100.0
83.04974	4.8
83.08610	10.8
85.06528	5.1
91.05482	32.2
93.07046	36.2
93.07627	2.0
95.04987	9.9
95.08611	36.5
97.06526	6.7
97.10165	3.5
105.07040	42.0
107.04951	4.7
107.08588	22.8
107.51147	1.6
109.06528	27.9
109.10159	24.8
111.08088	4.8
115.07559	3.4
117.07005	12.5
119.08587	44.3
121.06494	4.5
121.10133	17.4
123.08063	10.1
123.11720	7.8
125.09625	3.5
127.07536	2.6
129.06964	2.1
131.08577	15.2
133.10132	33.6
135.08057	8.1
135.11687	7.9
137.09636	8.1
143.08539	2.2
145.10124	15.6
147.08049	2.1
147.11685	13.6
149.09628	11.4
149.13263	4.7
151.11203	9.7
155.08537	2.5
157.10118	4.6
159.11662	9.7
160.50687	1.5
161.09601	4.6
161.13298	3.9
163.11189	8.3
163.14613	1.6
165.12779	2.6
169.10150	2.7
169.12199	1.6
171.11639	3.3
173.09673	2.8
173.13277	5.7
175.11076	2.6
175.14786	2.5
177.12714	1.9
183.11755	2.7
187.11082	2.0
187.14786	2.7
191.14342	1.9
197.07346	5.9
197.13205	1.9
201.12589	2.1
209.11714	1.5
223.13277	2.5
229.19559	3.5
239.17984	6.6
247.20714	8.1
257.18982	11.2
265.21576	2.3
275.20074	84.2
293.21109	42.4
294.09949	4.0
311.53915	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	5.7
55.01868	7.6
55.05269	2.1
55.05514	25.5
57.03418	4.5
57.07080	2.9
61.89454	1.6
63.96324	1.5
65.03945	2.1
65.84142	1.7
66.19776	1.4
67.05509	46.0
69.07072	23.0
70.77723	3.7
71.04993	3.0
71.74094	1.6
79.05067	2.8
79.05497	38.9
81.03412	6.6
81.07059	100.0
83.04975	6.7
83.08627	12.6
85.06530	4.4
86.80644	1.5
89.14010	1.5
91.05484	31.9
93.06484	2.3
93.07049	33.1
95.04971	19.7
95.08615	35.0
97.06548	8.9
97.10175	5.0
99.08109	2.3
105.04536	1.9
105.07037	36.0
107.04957	7.1
107.08593	29.9
109.06525	25.9
109.10164	15.6
111.08090	6.7
117.07014	8.4
119.08588	34.6
121.06502	4.8
121.10162	16.5
123.08096	12.3
123.11727	5.5
125.09618	3.9
129.06992	3.1
131.08592	11.4
133.10139	27.3
135.08064	8.5
135.11705	6.6
137.05966	3.9
137.09619	11.3
139.11172	1.9
143.08580	2.9
145.10135	15.4
147.08051	2.0
147.11685	23.0
149.09637	10.8
149.13225	4.0
149.41266	1.9
151.11188	4.5
157.10136	5.6
159.11688	9.7
161.13237	5.6
163.11174	8.5
165.12753	4.3
169.10207	1.7
171.11661	2.2
173.13202	7.8
175.11237	3.8
177.12776	2.9
183.11761	2.0
187.11223	2.1
187.14844	2.3
189.11285	1.9
191.14314	1.7
193.12157	1.7
219.13834	2.5
228.67410	1.6
229.19548	1.8
233.15564	1.9
239.18069	4.0
242.80714	1.7
247.20587	5.6
257.19016	9.2
264.20209	1.7
275.20081	84.2
293.21115	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03956	23.2
55.01880	15.6
55.05508	27.7
57.03426	3.2
67.05508	58.9
69.03432	4.6
69.07071	40.9
71.29179	4.3
77.03915	3.1
79.05501	41.8
81.03421	58.1
81.07063	93.1
83.04974	12.9
83.08616	8.2
91.05486	62.3
93.07050	45.0
95.01333	7.9
95.04987	19.0
95.08611	46.9
97.06543	26.8
97.10175	4.8
103.05450	3.6
105.07038	90.2
107.04967	28.6
107.08616	18.4
109.06527	5.6
109.10164	9.8
111.04411	3.6
111.08060	5.7
117.06985	22.1
119.08591	52.5
121.06490	6.5
121.10132	8.8
123.04398	6.0
123.08095	16.4
123.11717	3.1
125.09597	5.2
129.06989	3.8
131.08560	32.6
133.10129	61.8
135.08046	7.0
135.11684	16.5
141.07045	5.9
143.08562	4.5
145.06468	7.5
145.10133	19.6
147.11684	24.6
149.09634	5.3
149.13252	5.4
151.11223	6.8
157.10152	5.6
159.11708	22.9
159.51845	3.0
160.64394	3.0
161.13205	5.3
165.09135	3.8
169.10150	6.9
173.13257	5.2
177.12714	7.5
179.14279	18.5
183.11636	3.3
183.22607	3.1
187.11218	11.1
195.13760	5.7
205.12434	4.0
209.02582	3.0
209.11752	4.9
237.11153	10.7
239.18094	4.6
241.14326	4.5
247.20653	3.6
257.19049	9.1
275.20074	100.0
293.21143	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03949	3.4
55.01875	13.1
55.05511	20.1
57.03438	5.9
57.07075	4.6
67.05177	2.5
67.05511	33.7
69.03430	2.1
69.06778	1.6
69.07074	17.6
70.95016	1.5
71.05003	3.0
71.08633	1.6
71.26279	3.3
79.05499	41.7
81.03414	6.9
81.07061	39.5
83.04977	5.6
83.08625	13.7
85.06546	3.8
91.05487	34.9
93.07048	31.7
95.04985	11.0
95.08620	27.9
97.06544	20.9
97.10162	12.4
105.06330	2.0
105.07032	37.7
107.04970	10.7
107.08603	64.8
109.06551	11.0
109.10162	13.9
111.08076	3.1
117.07025	9.8
119.08581	24.9
121.06509	5.0
121.10175	16.0
123.08085	4.0
123.11700	5.2
125.09631	9.1
129.07060	2.8
131.08597	15.9
133.10149	20.5
135.08069	6.8
135.11708	7.3
137.09593	5.1
141.07068	1.4
143.08521	3.6
145.10146	17.8
147.08087	2.2
147.11711	19.0
149.06018	2.7
149.09634	13.7
149.13258	4.2
151.11195	5.5
153.09189	1.8
157.10173	5.9
159.11696	11.4
161.09663	3.2
161.13248	8.8
163.03876	4.6
163.07605	2.5
163.11197	5.2
165.09128	5.3
165.12805	2.3
169.10115	2.3
171.11665	3.0
173.13269	6.3
175.11159	2.8
177.05499	34.5
177.12764	3.7
178.06268	29.1
183.11725	3.1
185.13246	9.6
187.11206	6.8
189.11151	7.4
191.07060	9.3
191.10701	1.8
197.13303	2.5
201.16454	2.8
203.14351	7.3
205.12270	7.4
207.13733	1.7
215.10901	1.9
215.14429	1.8
219.17398	11.7
221.15422	7.8
229.19530	4.9
233.09541	3.2
233.11739	45.8
233.15216	2.0
239.17947	5.4
247.20610	4.0
256.90048	1.7
257.19006	13.7
275.20084	100.0
293.17688	2.6
293.21118	23.1
293.28061	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	4.8
53.20699	1.4
55.01876	21.9
55.05273	2.5
55.05515	31.8
56.96546	1.7
57.03436	2.9
57.07077	29.3
65.03933	2.0
67.05183	2.4
67.05510	36.8
68.99796	2.2
69.03431	3.6
69.07068	19.0
70.00691	3.3
70.01110	5.7
71.04996	4.2
79.05498	42.6
81.03423	7.4
81.03812	1.6
81.07062	36.4
83.04990	10.8
83.08239	1.7
83.08630	19.7
84.77737	1.6
85.06547	1.8
91.05489	30.4
91.83486	1.4
93.07047	29.3
95.04977	35.3
95.08614	24.7
97.06533	27.8
97.10186	20.2
98.20762	1.8
98.98470	2.8
99.08089	3.8
105.06326	1.6
105.07035	35.2
107.04977	10.9
107.08607	69.3
109.02810	2.3
109.06509	7.3
109.10152	11.7
111.04441	10.6
111.06225	1.5
111.08089	4.7
113.68026	1.5
117.07035	9.1
119.06093	2.0
119.08576	21.6
121.06491	4.6
121.10149	17.4
123.08095	7.4
123.11693	4.7
125.05981	4.9
125.09647	20.1
131.08577	15.4
133.06578	1.9
133.10143	17.2
135.04387	2.4
135.08064	7.5
135.11694	6.4
137.05978	23.5
137.09613	3.1
137.13202	1.5
139.01599	2.1
143.08548	4.2
143.86037	1.7
145.06453	2.2
145.10126	16.8
147.07957	1.6
147.11682	11.5
149.09630	30.5
149.13260	3.2
151.11209	5.4
153.05473	9.0
153.09105	2.0
157.10173	2.0
159.11748	10.9
161.09668	2.3
161.13257	5.4
163.03900	4.7
163.11195	17.0
165.09180	3.4
165.12697	2.0
169.10059	2.3
169.13518	1.8
171.10268	1.6
171.11688	3.8
173.13318	4.6
174.21402	1.7
177.05461	3.1
177.09076	2.1
177.12708	3.6
178.06155	2.0
179.14336	1.5
181.04988	10.6
181.12231	3.6
187.11180	3.5
187.14751	1.9
189.11218	14.7
191.06921	2.1
191.10704	16.6
191.14268	2.1
195.10139	6.7
195.13725	1.6
197.13261	2.3
203.07040	2.6
205.12297	2.0
209.11731	34.2
215.14499	1.9
219.10167	3.1
221.08080	6.8
223.13330	17.3
229.19537	2.9
233.11754	5.0
233.15062	1.9
237.11247	61.9
239.18002	5.2
247.20639	5.9
257.18982	12.2
275.20071	100.0
279.65692	1.8
293.14041	3.0
293.17935	5.4
293.21140	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1237
Annotation	Itoside L
Peak:m/z	Relative Intensity
53.03957	1.6
54.10511	1.1
55.01872	2.0
56.96570	4.7
57.03447	5.4
57.07085	7.9
59.05000	1.1
61.02934	6.5
65.03944	1.8
66.74682	1.0
67.05515	17.5
69.03439	13.8
69.07066	3.0
70.72952	0.8
71.04991	5.9
71.53454	1.4
73.02907	3.9
79.05529	1.3
81.03430	4.3
81.07052	2.2
83.01330	1.2
84.04511	1.3
84.96055	2.1
85.02916	63.4
85.06555	7.4
87.04464	1.8
91.03975	3.7
91.05493	2.7
95.04984	23.8
97.02905	14.3
98.43736	1.0
98.97598	11.1
99.04473	2.8
101.02377	1.2
102.96888	1.2
105.07047	1.7
109.02896	5.6
110.97568	1.0
113.06021	44.0
116.98654	5.7
119.04982	2.8
127.03937	13.0
130.06503	1.4
131.00204	1.1
131.07060	100.0
134.99652	1.8
139.03923	6.8
140.04260	1.4
141.04451	2.2
143.00171	1.7
145.04982	18.7
145.06157	1.2
147.04425	11.9
161.01222	1.9
161.07202	1.5
163.04060	1.3
163.06094	3.1
177.00743	2.6
202.08777	2.5
203.03479	2.8
233.06978	1.1
247.01123	1.9
249.04099	1.4
251.04446	2.1
251.08046	1.3
265.02313	1.1
269.05551	3.3
275.20294	1.1
287.44540	1.0
293.05704	3.2
293.11337	1.4
293.14667	1.5
311.06589	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	3.7
62.92880	1.7
67.33077	1.5
69.86893	6.9
84.96025	1.9
98.97612	11.5
116.98626	3.1
123.61749	1.4
124.23768	1.6
137.91812	1.5
173.01201	1.8
188.79999	1.5
251.04399	5.2
269.05508	7.4
293.06351	100.0
311.06421	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	293.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60564	0.4
54.98653	0.4
56.96568	28.1
57.03432	0.7
61.02928	0.9
61.09170	0.4
69.03435	1.6
69.48534	2.2
69.48945	0.7
70.98128	6.8
71.95265	3.3
73.02917	0.8
74.65654	0.4
74.97619	0.7
78.36864	0.4
84.96035	12.6
85.02895	2.1
86.09733	0.5
86.97613	1.0
88.99149	2.3
90.46430	0.4
90.83001	0.4
95.72265	0.4
97.02879	1.2
97.96808	5.9
98.21516	0.8
98.97587	100.0
102.97039	0.8
109.02948	0.4
110.97578	8.0
112.99137	4.9
115.97859	0.9
116.07092	0.9
116.98627	29.0
123.98369	1.2
124.95483	0.4
124.99126	10.4
126.97067	0.5
127.00720	0.8
127.03894	0.6
128.98625	7.4
131.00188	7.0
134.99666	4.7
136.99106	1.3
139.00694	1.9
140.00159	0.5
140.98605	3.4
141.99388	2.6
143.00169	16.3
143.97359	0.6
144.98071	0.6
145.01711	0.8
146.99655	3.6
147.04321	0.6
149.01224	1.3
152.98619	1.2
154.96533	1.8
155.00156	4.1
155.97285	0.9
156.98058	0.6
157.01747	4.7
158.99669	6.8
160.00406	0.5
161.01231	4.8
163.02766	1.0
164.98570	0.6
165.00734	1.5
170.95993	0.9
170.99602	2.0
172.94391	1.4
172.97612	4.7
173.01215	6.9
173.02591	0.5
174.99142	1.2
175.02759	1.6
177.00746	4.1
181.98927	0.6
182.99713	2.0
183.04051	0.6
185.01300	0.8
188.97124	1.0
189.00752	3.4
190.95418	0.5
190.98656	4.4
191.02309	3.5
199.02849	0.6
200.00035	0.5
200.96999	0.6
201.00697	2.5
203.02164	0.7
205.00258	0.7
207.01778	1.3
208.99597	0.6
211.57033	0.5
214.95468	0.5
214.98679	0.8
215.02267	1.1
218.98141	1.3
219.01752	6.5
232.96461	1.1
232.99709	4.8
233.03281	7.1
237.02788	5.3
251.00671	4.1
251.04407	22.0
256.96432	3.2
261.02780	0.8
264.74445	0.5
269.05457	31.5
274.97513	12.9
275.00385	0.5
279.03937	0.5
287.06528	4.0
292.98767	4.7
293.05444	34.6
311.06500	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
57.03432	0.6
57.07072	0.7
61.78065	0.4
65.03939	1.1
65.68078	0.4
67.04244	2.1
69.02432	0.4
69.03426	2.0
69.07088	0.5
69.26175	3.7
70.07368	0.5
76.02232	0.9
80.05022	0.6
81.03388	0.4
81.07072	0.4
82.06580	53.9
82.17341	0.4
85.02893	0.5
88.03986	2.2
91.05483	8.1
97.06537	0.4
100.07616	12.3
107.04890	0.4
107.08625	0.6
114.67212	0.4
119.04946	23.8
122.02729	3.8
123.04481	1.1
124.04786	1.0
125.09617	0.8
128.07083	31.0
130.06528	1.3
131.06886	1.2
137.69478	0.4
139.03877	1.6
140.04247	1.2
143.05284	1.8
146.08122	8.3
147.04411	100.0
148.04750	0.7
153.09091	0.7
171.10173	1.2
203.07384	1.1
234.85005	0.4
236.61375	0.4
266.81442	0.4
276.56290	0.5
292.11801	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.118
Annotation	AH 135Y
Peak:m/z	Relative Intensity
53.23085	0.3
65.03933	0.5
65.29423	0.3
67.04257	2.4
67.82265	0.3
69.03430	3.0
70.24464	0.3
70.24812	1.1
71.04989	0.4
72.08150	0.5
80.05026	0.5
82.06583	58.9
83.07359	1.0
88.03996	1.7
91.05486	4.2
92.82323	0.3
95.05000	0.4
100.07624	12.2
119.04949	15.6
120.52667	0.3
123.04423	0.6
124.04756	0.7
128.07086	33.7
135.11702	0.3
139.03896	1.5
140.04269	1.3
146.08133	8.5
147.04417	100.0
148.04796	0.5
232.11673	0.5
274.12878	0.4
292.11780	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	291.2684
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
53.03941	2.2
55.05513	18.6
55.74694	1.1
57.03418	2.2
57.07081	17.3
59.04989	2.0
63.59087	1.2
65.03934	1.5
67.05511	36.0
69.03436	2.5
69.07074	49.3
70.07986	2.9
70.08369	2.2
71.04983	2.6
71.08646	7.9
79.05495	17.1
81.03426	3.2
81.07063	98.0
82.46416	1.2
83.04971	3.5
83.08150	1.9
83.08622	24.3
85.06545	2.4
85.10173	1.9
91.05501	10.4
93.07051	37.6
95.04972	7.5
95.08614	100.0
97.06544	3.2
97.10155	11.4
105.07038	19.4
107.08605	36.0
109.06498	5.3
109.10163	52.9
109.72842	1.0
111.08083	5.3
111.11725	7.1
115.46416	1.3
119.08588	15.6
121.10150	37.2
123.04407	3.9
123.08060	2.1
123.11719	35.9
125.09663	2.9
125.13268	2.2
127.11243	1.4
130.85095	1.2
133.10168	10.8
135.11702	26.2
137.09589	2.2
137.13271	27.0
139.03925	8.6
139.11174	6.3
145.10147	2.2
147.04420	1.3
147.11705	17.8
149.09599	2.1
149.13284	24.8
151.11215	1.9
151.14853	6.5
153.12737	3.4
161.13283	11.8
163.14827	19.0
165.12772	3.2
165.16429	3.6
167.10669	21.2
167.14314	1.8
175.14847	5.7
177.16412	11.2
179.14326	2.5
179.17949	1.8
189.16365	6.0
191.17969	5.5
203.17863	5.8
205.19568	1.7
207.17473	1.4
211.56163	1.3
217.19551	8.9
219.20978	1.6
233.15398	2.1
233.22739	1.5
245.22649	1.3
247.24248	3.3
263.05975	1.2
273.18634	2.4
273.25778	30.0
273.28577	2.4
291.19727	3.7
291.26834	82.1
292.27151	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2683
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03937	2.4
53.97744	1.1
55.05512	18.8
57.03437	2.0
57.07077	8.2
67.05507	19.4
69.07072	44.6
69.34903	5.5
69.35316	3.6
71.04977	2.6
71.08633	2.9
79.05499	17.2
81.07060	100.0
81.78837	1.1
83.08227	1.4
83.08626	15.2
85.06163	1.2
85.06558	14.0
91.05477	10.1
93.07048	48.3
95.04948	1.9
95.08609	56.9
97.10168	8.6
98.70350	1.1
99.08101	13.9
105.07044	12.3
107.08598	57.7
109.06506	2.5
109.10155	36.3
111.08066	2.2
111.11712	5.1
113.09636	4.2
119.08601	14.2
121.10150	54.8
123.04470	1.2
123.08136	1.3
123.11718	18.5
125.09648	1.3
125.13280	1.5
127.11190	5.3
133.10146	8.0
135.08101	1.4
135.10701	1.8
135.11696	29.5
137.13261	6.1
139.03918	2.2
143.14304	1.4
147.11679	8.9
149.13266	66.0
151.14836	3.2
161.13206	6.9
163.14827	51.6
165.16454	1.2
167.14256	1.6
167.61685	1.3
175.14822	2.6
177.16383	11.9
181.15900	2.2
189.16380	3.3
190.77388	1.4
191.17958	6.3
195.17451	3.1
203.17989	3.4
209.19078	2.5
217.19559	3.4
221.19012	3.4
235.20525	3.9
273.25735	3.2
285.93658	1.4
291.19577	5.0
291.26831	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2683
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
51.94175	4.8
55.05516	21.0
57.07076	11.4
59.99679	3.4
67.05503	37.5
69.07068	41.7
71.05000	6.9
71.08633	6.7
71.85053	3.1
76.19623	3.5
79.05488	22.9
81.07059	86.8
83.08621	20.4
85.06557	5.7
91.05492	10.9
93.07057	38.8
95.04956	7.0
95.08616	100.0
96.05683	3.3
97.06564	4.0
97.10178	10.4
99.08096	7.2
105.07040	15.8
107.08611	36.5
109.06514	39.7
109.10165	51.7
111.04447	3.9
111.08108	4.4
119.08612	12.5
121.10165	29.3
123.11703	35.1
127.11204	7.8
133.10141	13.2
135.11668	25.4
137.13278	11.1
147.11697	12.7
149.13274	26.1
153.92842	3.8
161.13260	9.5
163.14842	16.4
165.12747	28.8
175.14865	9.5
177.16393	8.9
179.14311	3.6
189.16388	6.4
191.17989	8.3
203.17934	5.0
217.19528	8.2
235.17015	10.4
273.25720	34.4
291.12854	5.7
291.19846	9.9
291.23196	85.8
291.26849	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03946	4.5
55.01866	0.8
55.05269	1.4
55.05513	16.5
57.03431	1.0
57.07064	3.2
59.04993	1.0
65.03924	1.0
67.05508	37.0
67.53033	0.7
69.03429	1.2
69.07072	15.9
69.78656	4.3
70.38728	0.8
70.77438	0.7
71.04962	1.2
71.08625	0.9
73.06562	1.0
75.27388	0.6
77.03931	1.5
79.05495	78.2
81.07056	45.8
83.04972	2.3
83.08618	8.9
85.06540	3.3
88.82869	0.8
91.05479	28.7
93.07046	100.0
95.04962	4.5
95.08609	33.9
97.06499	2.3
97.10159	4.0
98.20838	1.0
99.08057	1.4
101.06036	1.1
105.04499	3.2
105.07028	16.3
106.85119	0.8
107.08596	52.8
109.06520	2.7
109.10162	15.8
111.08054	2.0
115.07626	1.4
117.06999	3.6
119.06065	0.7
119.08582	14.3
121.10147	49.0
123.04414	1.1
123.08051	2.5
123.11710	4.5
125.09643	1.9
129.06990	2.6
129.09180	0.9
131.08546	6.0
133.10138	13.9
135.08089	2.5
135.11694	58.4
137.09627	2.2
137.13301	0.9
139.11230	1.4
143.08514	2.8
145.10136	5.3
147.11693	10.8
149.09616	2.7
149.13261	35.2
151.11165	1.3
157.10115	2.0
159.11664	4.8
161.09586	1.2
161.13257	11.0
163.11179	3.8
163.14818	11.4
171.11705	3.7
173.13283	3.8
175.11206	1.6
175.14810	6.0
177.12749	3.0
177.16351	1.7
185.13336	4.5
187.14873	1.0
189.12752	2.4
191.14322	0.9
193.15842	1.0
195.13902	1.0
199.14810	3.0
203.14317	2.6
207.13806	0.8
209.15422	2.8
213.16370	2.3
217.15866	1.0
217.19592	2.2
221.15358	1.9
224.56134	0.8
229.53745	0.9
231.17345	2.1
231.21208	1.5
235.16960	2.2
241.19455	6.3
249.18459	3.8
250.20674	0.9
259.20575	11.8
274.41061	1.0
291.19977	2.9
291.23181	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.27663	3.1
53.03944	6.2
54.62241	3.0
55.01867	10.7
55.05510	52.5
57.03436	7.6
57.07064	6.9
59.04998	5.3
67.05512	60.2
69.03430	7.3
69.07073	31.6
69.73289	12.7
69.73708	5.9
71.04994	13.3
71.51942	3.9
77.03925	3.9
79.05496	74.0
81.03412	9.1
81.06590	6.4
81.07059	100.0
83.04972	13.2
83.08626	21.9
85.06548	8.2
91.05488	95.4
93.07050	95.0
95.04979	17.7
95.08604	64.0
97.06541	9.6
97.10178	16.4
98.97590	5.0
101.06054	4.0
105.03399	4.3
105.07034	76.7
107.04969	12.7
107.08598	48.8
109.06530	24.1
109.10149	20.4
111.08084	40.7
115.05476	6.5
117.07037	54.8
119.04941	5.5
119.08588	60.0
121.06522	18.6
121.10140	39.0
123.04427	20.3
123.08054	33.7
123.11694	6.8
125.09632	8.7
128.06233	10.8
129.06993	23.5
130.07771	10.3
131.08574	86.3
133.06477	10.4
133.10143	33.1
135.08069	19.4
135.11725	20.3
137.09605	6.0
139.03906	27.2
139.11191	9.7
141.06966	4.8
142.07793	5.8
143.08560	67.0
145.06441	7.4
145.10124	100.0
147.04422	6.5
147.08020	24.2
147.11697	13.4
149.09650	15.9
149.13271	16.3
151.07535	70.7
151.14813	4.1
155.06035	4.0
156.09338	5.2
157.10135	20.4
159.08060	5.7
159.10365	4.1
159.11658	20.6
161.09619	18.2
161.13280	5.7
163.11171	10.1
165.05476	5.4
166.07848	3.7
167.08545	5.0
169.10135	11.7
171.06775	4.2
171.11693	18.1
173.09683	6.3
173.13214	5.6
175.11208	10.6
177.09065	4.4
181.10196	4.3
181.12180	3.4
183.11676	4.3
185.09639	3.8
185.13356	5.5
189.12750	27.3
191.14459	3.8
193.12302	4.9
195.11703	14.4
197.11755	13.3
199.14857	5.7
201.12865	5.7
203.12755	4.4
207.13817	45.9
217.12213	3.8
217.15851	6.4
227.18033	7.5
233.15408	7.6
237.16464	13.8
245.19023	6.1
249.14867	5.1
255.17570	15.8
263.19965	4.6
273.18488	65.5
283.06384	7.1
291.16116	7.3
291.19510	95.8
291.26794	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	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03947	5.2
55.01877	13.5
55.05268	2.6
55.05511	18.1
56.96562	4.0
57.03435	12.7
57.07077	3.3
65.03931	6.2
67.05513	65.1
69.03442	3.1
69.07085	12.7
69.97929	6.9
71.04997	2.9
73.61237	1.9
79.05072	3.7
79.05503	58.4
81.03429	5.5
81.07066	86.3
83.04973	8.5
83.08614	6.5
83.10650	1.9
85.06531	4.5
91.05493	45.6
93.07052	36.8
95.04979	97.1
95.08613	22.6
97.06533	8.1
97.10178	4.7
98.97593	10.3
98.98478	2.2
105.07043	34.9
107.04961	26.1
107.08607	25.6
109.06528	100.0
109.10166	10.0
111.04425	2.5
111.08088	7.4
115.05454	3.8
116.98627	6.7
117.07032	18.2
119.04998	2.3
119.08607	23.1
121.06482	13.3
121.10126	10.0
123.04422	14.4
123.08073	7.9
125.09590	3.4
128.06235	4.3
129.07010	8.5
130.07707	2.2
131.08600	21.6
133.06483	8.7
133.10129	9.1
134.99658	3.7
135.08064	60.8
135.11705	8.6
139.01575	2.5
139.03862	17.3
143.08595	13.9
145.10127	19.9
147.04431	4.5
147.08134	11.4
147.11691	5.9
149.09654	10.0
149.13251	2.6
151.07658	2.3
157.10138	7.1
159.11717	7.9
161.05957	2.1
161.09650	14.1
163.11151	7.0
165.05583	2.7
169.10172	2.1
171.11641	3.8
173.13335	2.5
175.11203	4.7
175.83560	2.0
176.90834	2.0
177.12811	3.5
181.10184	2.8
185.13283	2.4
189.12776	1.9
195.11823	2.7
196.08693	1.9
199.14771	2.5
217.15918	12.6
223.13254	3.6
227.17957	5.1
245.18959	4.6
249.15096	2.8
255.17493	4.3
273.18527	52.1
291.08655	2.9
291.19583	79.0
291.22925	4.5
291.27039	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	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03947	1.6
55.01874	1.6
55.05515	7.0
57.03427	0.9
57.07067	3.0
59.04991	2.7
67.05508	4.9
69.03400	1.7
69.07046	1.4
69.18630	8.9
71.04980	2.9
74.05158	1.0
79.05500	8.8
80.78123	0.8
81.07063	8.3
83.04967	3.0
83.08622	8.8
85.02872	1.5
85.06540	2.6
91.05494	6.1
93.07048	11.2
95.04962	4.5
95.08611	16.0
97.06523	6.1
97.33694	0.8
98.97580	2.5
105.07018	9.4
107.04964	15.5
107.08582	8.6
109.06519	9.1
109.10166	2.7
111.04453	1.1
111.08081	39.4
113.05962	1.1
113.09645	2.6
116.98606	1.1
117.07021	1.0
119.08593	9.4
121.06496	2.2
121.10157	6.6
122.07211	2.1
123.04411	4.1
123.08070	36.1
123.11639	1.2
125.09629	2.9
129.07002	1.4
129.46678	0.9
131.08560	5.9
133.06494	3.3
133.10143	8.1
135.08072	6.8
135.11693	2.7
137.09613	3.3
139.03906	6.6
139.11140	1.2
141.05455	1.0
142.07828	1.2
143.08572	2.4
145.10123	3.4
147.04445	1.3
147.08066	3.6
147.11703	5.7
149.09599	6.9
149.13293	1.4
151.07550	100.0
153.09222	0.9
155.10674	3.5
156.09317	1.6
157.10123	5.8
159.08047	2.3
161.09602	3.5
161.13246	1.9
163.11186	2.5
165.05466	1.5
165.09184	1.0
169.12325	1.2
171.11670	3.1
173.09627	1.5
173.13245	6.7
174.10460	2.2
175.11212	5.6
177.09143	2.0
179.10631	4.4
181.12227	2.3
189.12752	29.7
191.10701	1.8
191.14305	15.1
192.11475	3.5
197.11734	15.1
197.13297	2.4
205.12325	1.3
207.13814	61.8
211.13231	2.2
211.15048	1.1
213.16428	2.2
215.14346	4.0
217.12186	4.0
231.17448	2.6
233.15373	48.5
235.13318	2.3
249.18521	2.0
255.17442	2.9
273.18530	7.2
290.22415	0.9
291.19553	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03944	1.1
55.01875	1.2
55.05515	4.7
57.03440	0.9
57.07072	3.2
59.04997	3.2
67.05239	0.5
67.05510	5.8
68.67384	0.6
69.03429	2.2
69.07060	2.7
71.04997	3.0
77.03947	0.6
79.05499	6.8
81.07053	8.9
83.04973	2.4
83.08631	4.8
85.02902	1.0
85.06523	2.2
91.05478	6.3
93.07043	8.7
95.04969	4.1
95.08609	14.9
97.06528	3.1
98.20702	1.1
105.07034	9.9
107.04947	5.6
107.08587	8.6
108.05727	0.8
109.06516	8.1
109.10165	4.2
111.08080	25.1
113.06057	0.8
113.09629	1.6
117.07014	2.6
119.08583	10.3
121.06490	1.9
121.10146	7.9
122.07282	1.0
123.04440	2.2
123.08070	35.3
123.11694	0.8
125.09634	2.1
129.06978	1.5
130.07779	1.1
131.08560	7.1
133.06494	4.1
133.10141	8.6
135.08044	7.5
135.11678	3.5
137.09644	5.2
139.03868	3.6
141.05458	0.7
142.07770	1.4
143.08577	2.6
144.09300	1.1
145.06418	0.8
145.10126	16.9
147.04414	0.8
147.08076	3.9
147.11693	7.7
149.09634	4.6
149.13242	0.9
151.07542	100.0
153.09123	0.6
155.08559	1.4
155.10652	1.9
156.09325	2.5
157.10121	5.6
158.10852	0.9
159.08095	2.0
159.11702	5.6
161.05908	0.9
161.09624	4.1
161.13254	2.6
163.11171	4.0
165.09103	1.0
165.12784	0.6
169.10115	0.8
170.10913	0.7
171.11685	4.8
173.09656	1.4
173.13260	8.2
174.10388	2.1
175.11165	6.0
175.14684	0.7
177.09119	2.6
177.12762	2.4
179.10681	5.0
181.12285	1.2
182.10988	0.9
185.13329	0.9
187.11197	4.0
187.14861	1.7
189.12744	29.1
190.13481	0.8
191.10677	0.9
191.14268	6.0
192.11440	4.6
197.11714	16.6
197.13283	2.5
203.14305	2.0
205.12234	1.2
205.15970	0.7
207.13808	59.3
211.14932	1.3
213.16406	2.4
215.14293	6.3
217.12279	2.5
222.14017	0.6
227.17870	0.7
229.03073	0.8
229.15907	0.8
231.17471	2.2
233.15359	24.9
235.13356	1.9
237.16383	0.8
249.18507	1.0
255.17419	3.3
273.18481	11.9
273.25745	1.0
291.19553	59.1
291.26971	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	291.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01873	1.2
55.05270	1.1
55.05513	13.8
56.05026	1.6
57.07078	20.4
58.99582	0.9
60.52797	0.9
67.05481	1.4
69.06461	0.9
69.07067	1.9
69.33447	2.0
69.33869	3.5
79.05490	1.9
80.09117	0.6
81.07053	3.2
83.04964	0.7
83.08618	1.0
84.04500	2.0
84.08133	0.9
85.01120	3.6
85.02892	1.0
85.59223	0.7
87.02696	1.6
87.08109	100.0
91.05481	1.5
93.07055	2.3
94.07409	0.6
95.08607	2.2
98.09713	3.4
98.21571	1.6
100.11272	0.9
102.03769	8.6
102.05546	11.4
105.07023	1.1
107.08594	2.9
109.10116	1.6
111.08115	0.7
112.03986	3.0
113.04250	2.7
116.01697	3.2
119.08577	1.2
121.10143	1.3
123.04458	3.9
123.11711	1.2
130.05064	1.3
130.06859	1.8
130.08649	6.1
135.11742	1.5
139.03922	6.6
143.02742	0.9
144.01190	0.8
145.10098	1.0
147.04440	1.7
149.13261	2.4
149.70740	0.7
151.03845	1.1
151.07561	1.0
156.08492	3.1
156.10223	2.8
162.02173	2.1
165.05461	0.9
188.03825	3.0
189.03270	1.6
205.06432	16.0
216.06931	7.2
250.87045	0.6
259.11124	60.7
261.83511	0.8
273.18414	0.9
291.10336	1.5
291.13669	17.0
291.19217	1.3
291.26859	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	291.0975
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
55.32590	0.9
67.71571	1.1
68.99804	1.0
69.61568	2.9
69.61974	2.1
71.04973	1.5
75.01707	1.0
75.03625	1.0
79.05482	1.9
83.08655	1.7
84.04527	1.3
85.06564	1.3
87.00809	1.3
91.05470	1.8
93.07055	2.6
98.98433	1.2
105.07006	2.4
107.08583	1.8
108.02097	1.0
110.17850	1.1
111.04463	2.0
115.05451	4.5
116.52724	0.9
117.05774	1.6
117.07001	1.8
118.06562	10.8
119.04882	1.4
119.08641	1.0
121.10130	1.7
123.04446	6.1
123.67192	1.0
129.07022	1.6
130.06532	100.0
132.08095	32.5
133.10144	1.5
139.03914	8.7
142.06534	10.1
143.07260	2.0
143.10605	1.4
144.08067	6.0
146.06039	17.3
147.04398	1.7
147.44214	1.0
156.02834	1.5
156.08063	4.3
157.07602	4.5
158.06044	1.8
158.08426	5.6
159.09184	88.9
160.07561	6.8
161.05940	2.1
165.05441	1.8
169.07620	3.2
170.06024	33.8
172.07599	1.2
174.03967	2.3
182.05954	1.3
183.09207	5.7
184.07579	17.5
185.07111	39.7
187.08661	3.9
188.07062	42.0
198.05368	1.2
199.08745	1.9
200.07086	7.5
201.10271	12.2
203.10651	1.4
207.06497	1.6
209.07153	2.1
217.08759	1.2
227.08177	41.7
227.10384	1.7
229.09750	3.6
231.07588	3.2
245.09229	98.3
255.07626	3.3
263.12860	1.8
273.08707	13.4
273.11340	1.8
291.06592	3.5
291.09744	4.1
291.12451	4.0
291.16956	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0976
Annotation	Indole-3-acetyl-L-aspartic acid
Peak:m/z	Relative Intensity
55.01860	0.3
55.05503	0.4
57.03419	0.3
57.76001	0.2
58.92900	0.2
61.46283	0.2
67.05508	0.5
69.03410	0.3
69.07059	0.3
69.62686	0.4
69.63097	1.0
71.04961	0.3
74.02446	2.2
75.08275	0.2
77.03920	0.2
81.03425	0.2
81.07040	0.4
83.04965	0.2
85.02890	0.6
88.03992	4.1
91.05486	0.6
93.07038	0.4
95.04973	0.3
95.08594	0.3
97.06518	0.3
103.05421	0.3
105.07031	0.5
106.19765	0.2
107.04939	0.7
107.08579	0.4
111.04453	0.2
111.08054	0.5
115.05384	0.2
116.03476	1.8
119.04897	0.3
121.10189	0.2
123.04430	1.7
127.03924	0.2
129.05421	0.2
130.06529	100.0
131.06897	0.3
133.06453	0.4
133.10129	0.3
134.04488	11.9
135.11642	0.3
138.09093	0.3
139.03896	3.8
139.04904	0.3
145.10210	0.3
147.04405	0.4
147.11725	0.3
151.04053	0.2
154.05014	0.2
158.06029	0.3
161.06033	0.4
165.05534	0.4
176.07137	0.4
182.06046	0.6
199.08731	0.8
211.58559	0.3
227.08136	0.6
244.12117	0.3
245.09239	1.1
245.12987	0.3
273.08987	1.5
273.11905	1.2
283.52805	0.2
285.44119	0.2
291.09692	2.0
291.13406	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	291.0862
Annotation	ent-Robinetinidol
Peak:m/z	Relative Intensity
51.02372	0.3
53.03950	0.3
55.01866	0.3
55.05506	0.2
55.25539	0.1
56.51276	0.1
57.03436	0.2
59.87790	0.1
67.01867	0.2
67.05500	0.9
68.99777	0.3
69.03415	0.2
69.23830	1.3
75.07574	0.1
77.03930	0.7
79.05494	0.4
81.07041	0.6
81.11485	0.1
83.04974	0.2
84.04529	0.2
85.02895	0.3
85.06502	0.1
91.05478	0.4
93.07036	0.4
95.04984	1.0
95.08586	0.2
98.97562	0.2
100.98518	0.2
101.99744	0.1
105.03376	0.9
105.07037	0.2
107.04984	0.2
107.08611	0.3
109.02885	0.3
109.06497	0.2
109.10155	0.2
111.00835	0.2
119.04900	0.2
119.08600	0.2
119.52155	0.1
121.10173	0.3
122.57340	0.2
123.04428	100.0
123.11682	0.3
124.04787	0.4
127.02972	0.4
127.03917	7.0
128.06149	0.2
129.07039	0.2
131.08597	0.2
133.10165	0.3
135.11647	0.2
137.05968	0.7
138.09161	0.3
139.03917	1.3
145.10173	0.3
147.04448	0.2
147.08096	0.2
151.03874	1.6
155.48100	0.2
165.05476	10.1
169.04968	7.3
189.05432	0.2
189.12816	0.2
198.10500	0.2
246.11227	0.2
255.06554	0.3
273.07568	0.7
291.08673	0.8
291.13062	0.5
291.16437	0.2
291.19635	0.4
292.15558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0864
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.03948	0.5
55.01870	1.6
65.03944	0.9
67.01879	0.4
67.05502	1.6
68.99789	2.3
69.03433	0.7
69.07068	0.4
70.68652	0.3
70.69020	1.1
83.04987	1.4
85.02911	1.1
87.54100	0.3
91.05479	1.7
93.03400	1.8
95.04976	2.6
97.02933	0.5
98.21643	0.3
105.03379	0.6
107.04987	0.5
111.04446	2.7
115.05499	1.0
117.72773	0.3
119.04951	5.4
121.02831	0.5
123.04437	67.5
124.04763	0.4
127.03931	1.3
131.04941	0.4
133.06511	0.9
135.04407	0.7
137.02356	0.9
137.06041	0.6
139.03911	100.0
143.04944	2.8
147.04419	20.6
148.26038	0.3
149.05916	0.3
151.03908	3.0
151.07556	0.6
153.04332	0.3
153.05501	1.0
159.04480	0.3
161.05989	7.6
163.03900	1.6
163.07477	0.3
165.05486	14.1
169.04991	1.3
177.05515	1.3
179.07021	3.2
181.04996	1.1
181.34810	0.3
189.05472	1.9
207.06548	7.1
230.53162	0.3
231.06444	0.4
249.07664	1.2
273.07584	1.3
291.08636	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	291.0863
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.03936	0.3
55.01878	1.9
58.01075	0.3
63.52494	0.3
65.03940	1.4
67.05502	1.2
67.69994	0.2
68.99786	1.5
69.19146	0.7
69.19547	2.7
77.03929	0.4
83.04985	1.0
85.02906	0.4
91.05486	1.8
93.03413	1.3
95.04977	2.9
97.02899	0.6
105.03393	0.6
105.07021	0.5
107.04974	0.6
111.04449	3.3
115.05468	1.6
119.04955	6.3
121.02848	0.4
123.04431	64.3
124.04768	0.8
127.03898	1.0
131.04912	0.6
133.06509	1.1
135.04434	0.9
137.02345	1.3
137.05975	1.2
139.03905	100.0
140.04256	0.4
143.04930	3.3
147.04416	21.5
149.05968	0.3
151.03917	1.9
151.07542	0.5
153.05484	0.7
159.04373	0.3
161.04640	0.5
161.05991	9.1
163.03839	1.7
165.05481	13.3
169.04938	1.2
177.05501	0.7
179.07031	2.9
181.04974	0.7
189.05522	2.0
207.06522	6.4
249.07629	1.5
273.07574	1.6
291.08636	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	291.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96306	4.5
56.96572	73.2
66.11867	1.8
66.71291	1.7
70.98120	3.0
71.95264	2.6
84.96013	6.2
85.02895	4.3
86.97598	2.5
91.05495	2.6
97.02917	2.3
98.21556	3.7
98.97597	100.0
110.97588	11.7
112.99145	4.8
115.00716	1.9
116.98643	26.7
119.04973	2.9
124.99141	32.0
127.00687	2.2
128.49709	1.9
128.98599	6.2
131.00197	4.0
132.98111	3.1
134.99669	5.1
139.03926	10.3
140.98615	2.3
141.02235	3.4
143.00179	38.4
144.00508	2.3
146.99629	3.6
147.04451	9.0
151.00720	4.6
152.98622	11.8
158.50969	2.0
158.99710	15.0
159.03293	4.0
161.01227	17.2
162.99200	2.4
167.00186	5.0
169.01698	5.6
170.99666	27.8
174.99075	3.6
177.00688	6.9
177.44931	1.9
180.07149	2.0
182.42224	1.7
185.01239	17.7
186.99025	3.0
187.02719	2.6
189.00720	19.8
189.02354	3.3
191.02333	2.0
194.99669	5.0
201.00691	4.2
203.02289	9.1
205.00208	3.3
207.01772	5.2
213.00757	13.2
219.01767	8.7
221.03345	2.9
229.03963	2.4
231.01785	19.9
237.02855	6.8
244.99713	10.9
245.14792	2.0
247.01280	3.5
248.99248	5.2
249.02809	24.9
249.99594	4.1
257.12949	2.3
263.00812	6.3
267.00327	2.7
267.03918	13.7
268.00571	9.1
273.02863	8.8
285.05014	5.2
286.01669	3.2
291.01089	1.5
291.03885	37.3
291.08316	25.0
298.43207	1.9
309.04938	34.8
309.08572	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	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96301	8.4
56.96569	100.0
62.25121	7.9
69.27912	65.2
81.87814	7.6
84.96044	20.2
85.02893	11.0
92.75892	7.5
98.97589	69.6
101.00893	31.4
103.00651	29.2
110.97570	14.2
113.00887	18.9
116.98631	27.0
117.02165	13.3
119.01937	19.6
121.01653	34.9
124.99112	47.5
131.01859	10.4
133.01665	10.0
139.02669	9.3
143.00140	53.9
144.98045	8.9
145.01656	15.5
145.03429	14.7
146.08119	15.8
152.98553	9.9
157.03441	13.1
158.99632	10.4
161.01268	23.3
161.02878	14.9
162.66273	6.9
162.99138	7.8
163.02672	21.5
167.00066	8.2
170.99680	45.4
173.01222	11.1
185.01215	21.1
186.99133	10.3
187.04536	8.0
189.00690	36.5
189.02347	14.3
203.02313	13.3
203.04068	15.6
207.01942	9.5
213.00684	21.2
217.00195	14.7
219.01759	11.6
231.01654	15.8
231.03712	13.7
249.02563	50.2
267.03687	12.7
285.59576	9.6
291.03494	47.6
291.07797	79.1
291.10718	48.3
309.04846	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62002	1.1
56.96567	100.0
59.07514	1.0
69.90449	2.8
69.90860	2.3
71.22446	1.0
71.95244	3.2
83.13169	1.1
84.96026	6.5
98.97588	93.6
99.97864	1.1
105.00112	1.8
106.98080	2.4
110.97554	2.8
112.99140	6.0
115.00674	1.2
116.97829	2.1
116.98623	31.2
123.01180	1.6
124.99124	73.0
126.97035	1.3
127.00688	6.2
131.00133	5.1
134.99637	5.3
139.00671	2.4
141.02252	9.0
143.00166	77.9
144.98058	1.2
145.01735	1.5
151.00699	4.9
152.98584	25.5
156.98027	1.4
157.01741	1.9
159.03264	4.1
161.01231	23.4
167.00157	7.5
168.98053	2.3
169.01726	12.4
170.99661	61.2
177.00745	1.2
182.99637	1.3
185.01227	44.5
185.02887	2.6
186.99193	5.3
187.02811	6.7
189.00728	35.1
194.99654	9.6
201.00699	2.2
203.02295	24.0
205.00220	6.6
207.01810	2.7
211.02754	1.9
213.00708	36.4
216.47173	1.0
221.03300	1.8
223.53049	1.4
229.00308	2.2
229.03775	1.5
231.01764	50.7
245.03401	5.5
247.01384	5.2
249.02832	50.8
254.03630	1.6
255.01701	2.2
263.04373	5.1
265.05365	1.1
267.03906	27.2
273.02792	17.3
285.04932	10.4
291.03854	94.2
309.04929	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88095	0.6
56.96574	38.9
58.59740	0.6
61.02918	1.1
68.26115	0.6
69.03442	1.5
69.60529	4.2
70.98106	0.7
71.95264	1.3
74.97625	6.3
78.90300	0.7
81.03458	0.8
84.96035	1.2
84.99579	0.7
85.02923	2.4
86.97604	8.9
91.05473	0.8
95.04976	0.8
97.02921	1.0
98.97600	100.0
101.00894	2.9
102.00951	3.5
110.97583	2.7
114.97076	14.4
116.02505	1.6
116.98641	24.1
119.01957	3.1
119.04943	1.5
120.02022	6.6
124.99140	8.5
126.97117	0.7
127.03924	1.9
127.94431	0.6
128.04266	1.4
128.98622	3.1
130.04086	0.8
131.00261	0.8
131.01917	1.0
132.02063	1.3
132.98112	21.0
133.03503	1.0
134.03615	1.9
134.99678	4.2
136.99463	0.7
137.03004	1.0
138.97075	1.7
139.03931	4.3
140.00172	1.3
140.04279	2.5
140.98643	0.8
143.00183	16.5
144.02113	1.3
144.98062	0.8
146.99683	1.9
147.04445	3.1
150.99164	15.2
156.98106	8.7
158.99696	19.3
159.01042	0.9
161.01254	8.5
161.02530	1.0
161.03046	0.8
162.03093	4.1
165.00784	0.8
169.00264	3.4
169.04951	0.7
170.00113	0.9
174.99168	14.5
177.00737	9.2
187.00896	1.3
188.01125	2.8
188.97188	1.5
189.00758	2.1
190.98654	2.4
192.54832	0.9
193.00246	12.8
197.99471	1.1
202.98726	2.1
205.00200	1.0
206.02124	1.0
206.98155	10.8
207.01840	2.7
211.01318	1.3
212.97083	1.3
216.00616	1.9
218.02238	0.9
220.99648	4.0
224.99222	1.7
230.02188	1.3
230.98224	3.1
239.00931	2.5
248.00916	0.7
248.03116	4.0
248.99220	31.2
249.02788	1.3
267.00284	81.7
272.00867	3.0
281.07773	0.8
285.01343	30.4
290.01749	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	290.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.5
56.96571	41.4
57.03418	0.5
61.02911	0.4
69.83369	1.8
71.95264	1.7
72.96056	1.0
74.97616	5.4
81.03418	0.5
84.96017	1.5
86.97601	5.3
87.72154	0.4
94.57323	0.5
97.99185	1.6
98.97593	100.0
99.97916	1.1
101.00899	1.1
110.97584	2.4
112.99158	1.4
114.95707	0.5
114.97062	8.4
116.00274	1.4
116.98630	35.5
118.00581	0.4
119.01915	2.4
121.43788	0.5
124.95475	0.6
124.99129	6.4
126.97084	1.3
128.98665	2.3
131.00162	1.7
132.98106	13.8
132.99817	0.6
134.01379	0.5
134.99666	8.6
137.02998	0.5
138.97044	0.5
140.00174	1.1
140.98578	0.6
142.96559	0.7
143.00183	11.3
144.98093	3.0
145.03481	0.7
146.99609	1.2
148.00464	1.1
149.01306	0.7
150.99155	11.2
152.98578	1.1
154.93275	0.5
156.96893	0.6
156.98080	3.2
158.01341	0.8
158.99669	9.8
160.97664	0.8
160.99449	0.5
160.99881	0.7
161.01234	6.8
161.45610	0.5
162.99158	2.6
168.05144	0.5
168.98256	1.3
169.00241	2.4
169.01601	0.8
170.99692	1.4
173.01393	0.7
173.44308	0.5
174.99174	6.7
176.97296	0.6
176.99135	0.7
177.00705	6.4
177.02017	0.6
181.00294	0.6
182.99637	0.5
185.01247	1.7
186.00739	0.5
186.99164	2.9
187.02881	0.8
188.97139	1.4
189.00726	2.6
190.98743	1.4
192.98538	0.6
193.00230	9.3
194.98140	0.7
198.97845	0.6
202.97021	0.8
202.98712	1.7
203.02278	1.6
205.00212	3.4
206.98164	8.0
210.88992	0.8
211.01233	1.5
211.97751	0.8
213.00774	1.9
219.01932	0.6
220.01968	0.6
220.99695	2.6
221.97070	0.6
224.99220	1.8
226.00790	0.9
227.95792	0.5
230.93443	0.7
230.98155	2.1
231.01755	2.5
239.00829	2.0
241.96878	0.7
248.99196	15.4
249.02896	2.1
254.93546	1.4
256.96979	0.5
263.94083	1.4
264.44028	0.8
264.93683	0.5
267.00275	42.0
267.03714	2.4
270.91278	0.8
272.00931	1.6
272.94263	2.5
275.44449	0.6
285.01343	18.2
285.04767	1.2
290.01877	2.3
291.03882	3.3
302.93979	0.6
309.04910	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2528
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03949	1.6
55.01877	1.0
55.05515	9.3
57.06828	0.8
57.07085	9.2
59.05015	1.5
59.40708	0.5
61.42332	0.6
64.64735	0.5
65.03947	2.2
67.05511	22.5
69.03431	1.5
69.07075	38.3
71.04992	2.7
71.08621	0.9
71.54241	0.8
77.03918	0.6
79.05498	13.1
81.07064	99.9
83.04987	2.0
83.08636	6.1
85.02918	1.2
85.06554	1.3
91.05483	6.2
93.03415	1.9
93.07054	26.2
95.04984	3.5
95.08615	100.0
97.06540	6.4
97.10192	4.9
99.08118	1.0
105.07041	12.9
105.07696	1.0
107.04964	1.3
107.08604	25.1
109.06522	1.1
109.10165	34.1
111.04465	4.0
111.08126	1.4
111.11740	6.5
113.09666	0.6
117.07040	1.3
119.08591	12.0
120.10211	0.6
121.02888	0.5
121.06485	0.6
121.10153	20.4
123.04446	7.5
123.08125	1.1
123.11722	26.0
125.09634	2.1
127.03924	3.2
127.11243	0.7
129.07030	0.6
131.08591	3.8
133.10139	8.3
135.04434	13.2
135.11717	14.2
137.09630	1.6
137.13268	67.8
139.03908	9.6
139.11208	5.6
143.08598	0.6
145.10147	4.2
147.10669	0.7
147.11720	9.0
148.58813	0.7
149.02393	1.0
149.09677	0.7
149.13281	11.6
151.03873	2.9
151.11134	0.9
151.14832	1.8
153.12733	1.1
159.11711	6.5
161.13255	8.1
163.03934	2.2
163.11198	0.8
163.14862	5.8
165.12737	1.6
167.14337	0.7
173.13255	5.0
175.14836	5.2
176.14418	1.8
177.12816	0.7
177.16411	4.1
179.14339	1.2
179.17963	0.7
187.14862	5.1
189.16403	2.9
191.18001	1.8
193.15994	1.6
195.17519	0.7
200.10361	0.6
201.16489	2.9
203.17960	1.7
215.18024	4.3
217.19504	0.7
219.17378	0.6
229.19632	1.4
231.06381	0.7
231.21007	1.0
233.19069	0.9
245.22658	1.6
259.05920	1.0
261.07541	0.9
271.06015	0.7
271.21274	0.9
271.24207	13.9
289.06134	5.4
289.18149	1.7
289.25293	43.7
290.21179	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	289.2528
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
50.69432	1.1
51.02385	1.1
53.03940	2.9
55.01878	1.3
55.05516	17.8
56.09847	1.0
57.03422	2.2
57.07087	7.1
61.02906	1.5
65.03936	3.6
67.05185	1.6
67.05515	22.0
68.99788	1.7
69.03429	4.0
69.07075	36.5
71.04990	3.2
71.08616	4.3
73.02925	1.4
79.05499	18.7
81.03413	3.3
81.07063	100.0
83.04980	3.4
83.08628	11.8
85.02911	7.0
85.06544	3.7
89.03905	2.4
91.05481	18.9
93.03391	4.5
93.07047	71.0
95.04975	11.5
95.08612	54.5
97.02891	2.1
97.06534	4.7
97.10180	6.2
99.08037	1.3
103.05447	1.8
105.04562	1.4
105.07040	27.0
107.04949	3.5
107.08604	46.7
109.02891	1.2
109.06552	7.0
109.10166	35.7
111.04443	11.7
111.08088	5.6
111.11719	4.1
117.07020	2.1
119.08590	18.2
121.02877	8.5
121.06540	1.3
121.10157	35.6
123.04441	22.2
123.08087	2.8
123.11713	26.7
125.09641	2.3
127.03942	6.8
127.11211	1.6
131.04901	1.3
131.08572	5.3
132.95842	3.1
133.10138	24.1
135.04425	38.6
135.08038	2.8
135.11708	21.4
137.02373	2.8
137.05984	19.3
137.09549	2.1
137.13239	9.5
139.03909	29.1
139.11186	3.2
145.10162	8.5
147.11697	13.8
147.77039	1.2
149.02335	3.2
149.09648	1.7
149.13268	16.1
151.03918	11.3
151.11217	17.9
151.14862	1.8
153.01826	4.2
153.12747	2.2
159.11697	11.5
161.13252	11.8
163.03932	9.4
163.11206	4.6
163.14870	8.6
165.12759	5.8
173.13290	7.4
174.96910	4.2
175.14841	9.1
177.12781	3.1
177.16383	5.6
179.03502	1.8
187.14799	3.0
189.16330	6.6
191.17972	3.4
193.04803	1.2
193.15782	1.4
195.17525	2.2
201.16408	4.7
203.03389	1.3
203.07011	1.4
203.18001	2.4
207.17380	2.1
215.07129	1.4
215.17979	7.1
217.19394	1.8
219.17560	1.2
229.19583	1.9
231.06519	1.8
231.21178	2.7
233.18925	2.9
245.22591	3.5
259.06143	3.6
261.07590	3.6
271.06210	5.8
271.08890	1.2
271.24225	19.8
271.33572	1.2
285.61108	1.3
289.07010	11.1
289.10013	1.9
289.14658	3.6
289.25281	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2528
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
52.67635	1.8
55.05511	16.0
55.73603	1.8
56.48368	1.8
57.07072	9.0
59.04994	2.7
67.05511	22.8
69.03399	3.0
69.07074	40.0
70.67319	1.7
71.04991	7.1
71.08614	3.2
79.05499	18.7
81.07062	89.8
83.08627	15.4
85.06521	2.6
91.05463	11.3
93.06489	2.5
93.07056	42.8
95.04981	3.5
95.08613	55.9
97.06514	5.1
97.10160	4.2
99.08099	3.4
105.07030	24.5
107.08602	53.5
109.06547	3.9
109.10159	41.8
111.08104	2.6
111.11723	7.9
113.03528	2.1
113.09635	2.9
117.07002	4.4
119.08593	30.7
121.10149	42.9
123.04443	3.4
123.08028	3.2
123.11710	37.6
125.09653	3.4
127.03926	9.6
127.11210	3.3
131.08557	8.5
133.10144	21.3
135.11702	33.7
137.13321	9.3
139.11153	5.7
145.10118	11.2
147.11707	21.0
149.12042	2.2
149.13277	41.6
151.11154	6.3
151.14836	3.7
153.12778	2.8
159.11717	14.2
161.13260	20.1
163.14836	16.9
165.12759	4.2
167.54659	1.8
171.11781	2.9
173.13223	10.1
175.14873	12.8
177.16385	10.1
179.14380	3.5
187.13408	2.0
187.14767	11.3
189.16434	9.8
191.17947	7.7
201.16414	8.8
203.18027	9.2
205.15843	3.0
207.17482	3.1
210.74812	2.2
215.17987	10.5
216.08894	2.0
229.19531	4.8
231.21017	3.1
233.18896	2.1
250.38464	2.0
271.24197	34.2
289.06155	3.8
289.21790	5.5
289.25266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2528
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03939	3.3
55.05521	22.2
57.07068	9.2
58.68852	2.0
59.05019	2.4
62.75303	2.1
65.03929	2.8
67.05515	17.8
69.07074	38.7
71.04984	6.2
71.53263	2.7
79.05494	20.6
81.06595	4.6
81.07061	86.3
83.08621	12.7
85.06550	4.0
91.05493	14.9
93.07047	45.3
95.08611	67.3
97.06541	3.4
97.10152	5.0
99.08102	7.1
103.86904	2.4
105.07037	37.5
107.08600	60.0
109.06543	4.0
109.09471	4.4
109.10161	55.3
111.08051	2.8
111.11758	3.3
117.06989	5.5
119.08585	43.9
119.39773	2.8
121.09347	3.6
121.10158	51.4
123.04436	2.8
123.08037	4.9
123.11716	33.2
125.09639	5.8
127.03905	11.1
127.11195	13.6
131.08553	9.0
133.10144	31.3
135.04439	4.7
135.08032	2.6
135.11708	28.6
137.13280	12.2
137.59497	2.5
137.78532	2.8
139.03876	2.4
139.11150	4.8
145.10149	15.3
147.11694	41.2
149.13255	49.6
151.11201	3.3
153.12785	4.3
159.11719	22.4
161.09633	2.2
161.13272	35.5
163.14832	21.3
165.12788	5.9
167.14276	3.0
171.11653	4.6
173.13266	14.1
175.14818	12.9
177.16394	10.3
179.14293	10.8
187.14868	15.8
189.16409	7.1
191.14351	2.5
191.18013	6.8
193.15894	3.1
194.25111	2.3
201.16356	11.0
203.17944	21.9
205.15866	3.5
215.17993	9.6
217.19400	3.5
219.17397	2.9
229.19554	6.4
231.21086	5.2
233.19046	3.5
271.21176	5.1
271.24200	56.8
289.06229	4.0
289.21747	8.5
289.25256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03946	3.5
55.01870	2.3
55.05508	19.0
57.03455	2.4
57.07080	10.4
59.04993	2.2
65.03944	10.0
67.05507	29.2
68.99787	3.8
69.03430	6.9
69.07074	54.8
71.04990	4.6
71.52972	3.2
79.05152	1.6
79.05506	19.5
81.03413	6.8
81.07062	88.8
83.04998	4.2
83.08614	16.8
85.02891	6.0
85.06532	8.8
89.03903	4.3
91.05472	17.5
93.03413	12.0
93.07053	45.3
95.04977	19.3
95.08614	61.3
97.06530	8.1
97.10164	6.0
98.97581	3.5
99.04462	2.2
99.08097	3.4
103.05462	2.9
105.07039	35.6
107.04961	13.2
107.08607	51.8
109.02831	3.1
109.06512	7.2
109.10165	46.1
111.04452	28.3
111.08089	8.6
111.11714	9.0
116.98651	2.2
117.03378	3.7
117.07008	2.5
119.08582	34.5
120.08130	3.5
121.02874	20.7
121.06508	2.5
121.10151	47.5
122.03611	2.3
123.04437	50.0
123.05336	3.6
123.08114	3.0
123.11723	49.8
124.07619	1.9
125.09639	2.8
127.03912	19.5
131.08566	7.9
132.95822	2.0
133.02847	10.9
133.10155	19.7
135.04431	91.9
135.08035	2.3
135.11700	29.8
137.02341	25.5
137.05997	38.2
137.09621	5.9
137.13228	9.2
139.03914	55.8
139.11177	8.1
145.10147	10.5
147.11719	22.0
149.02341	7.1
149.09657	3.1
149.13266	24.9
151.03940	22.0
151.11188	6.3
152.04321	2.4
153.01793	11.0
159.04353	2.1
159.11729	10.5
161.13263	18.0
163.03931	25.8
163.11241	3.5
163.14795	16.7
165.12759	8.8
167.14354	2.6
171.13840	2.2
173.06123	2.3
173.13280	10.1
175.07909	2.6
175.14845	13.1
177.05576	1.9
177.12720	3.7
177.16420	10.1
179.03410	16.4
179.14343	2.4
187.14835	6.7
189.16402	11.6
191.14346	2.3
191.17917	3.6
193.15991	2.4
197.06003	6.8
201.16399	8.9
203.17960	6.4
205.04982	3.0
205.15924	2.5
207.17407	4.6
215.14400	1.9
215.17950	8.0
217.19479	4.4
219.17448	5.4
229.15935	2.2
231.06395	4.2
233.18901	2.5
233.64948	2.0
243.06458	3.9
243.21091	2.7
245.22652	20.8
259.06064	6.7
261.07632	6.4
271.06015	18.8
271.14383	3.9
271.17181	2.9
271.24289	24.5
289.06876	28.4
289.14969	5.0
289.18219	4.7
289.22061	3.7
289.25275	100.0
306.34305	1.8
314.06787	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2528
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03943	3.0
55.05513	21.8
57.03414	2.6
57.07079	9.3
65.03960	1.9
67.05508	28.2
69.07072	59.7
71.04989	2.1
71.08646	2.8
71.52505	2.4
79.05498	18.8
81.07063	94.3
83.08628	17.6
85.06560	4.6
87.11158	1.9
91.05485	14.7
93.07051	51.1
95.04955	5.0
95.08611	82.1
97.06519	3.7
97.10160	9.2
97.26282	2.0
99.08079	2.5
105.07039	35.4
107.08601	63.9
109.06516	5.3
109.10165	59.8
109.10917	3.1
111.08118	3.8
111.11718	4.6
111.76958	1.9
113.19000	2.2
119.08591	45.7
121.06512	2.8
121.10151	44.8
123.04396	4.8
123.08080	5.8
123.11718	36.3
124.00288	1.8
125.09624	6.0
127.03902	4.0
129.07011	2.5
131.08575	11.1
133.10138	24.5
135.04430	8.8
135.11691	29.3
137.13287	15.2
139.03949	4.8
139.11179	4.9
143.08653	2.2
145.10107	19.0
147.11705	32.6
149.13257	37.8
151.11182	7.3
153.12729	2.0
157.10063	2.8
159.11705	24.3
161.13263	27.7
163.14835	14.1
165.12729	10.0
173.13245	19.2
175.14857	17.9
177.12733	4.7
177.16356	7.6
179.14297	11.6
187.14905	11.9
189.16377	15.4
191.17976	4.6
193.15945	5.9
201.16374	11.3
203.17926	6.3
205.15892	2.7
207.17490	4.1
215.17989	17.5
229.19437	4.1
231.21103	2.7
233.18932	4.9
271.24222	56.6
289.21686	7.7
289.25238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03932	2.3
53.54130	1.4
55.05278	1.9
55.05513	21.0
57.07061	5.5
57.72555	1.5
65.03938	1.9
65.43828	1.4
67.05511	19.4
69.06737	2.6
69.07074	37.3
70.48769	2.1
70.49101	3.2
75.03617	1.5
76.19595	1.5
79.05492	16.5
81.07059	72.6
83.08622	14.8
85.06525	3.2
91.05486	13.8
93.06488	2.4
93.07047	34.7
95.08613	84.6
97.06500	2.4
97.10182	17.3
98.97598	2.4
99.08083	3.0
101.64704	1.5
105.07044	30.4
107.08596	44.1
109.06525	3.5
109.09469	2.8
109.10159	34.8
111.04438	2.2
111.08085	2.1
111.11741	2.8
116.50371	1.6
117.07000	3.4
119.08586	37.5
121.06500	3.6
121.10139	44.1
123.04379	4.1
123.05232	1.6
123.08027	1.8
123.10960	1.8
123.11728	23.1
125.09628	3.2
125.13235	2.1
127.03884	4.7
131.08566	8.3
133.10126	22.8
135.04387	9.3
135.11676	19.6
137.13251	5.6
139.03868	4.3
139.11127	1.6
143.08643	1.5
145.10139	13.1
147.11693	26.0
149.13274	15.3
151.03899	2.2
151.14836	3.3
159.08061	1.9
159.11726	12.9
160.12398	2.5
161.13268	34.6
163.03972	2.3
163.08510	1.6
163.14850	17.5
167.14204	1.9
173.13266	12.1
175.14848	20.9
177.16400	7.5
181.15863	1.6
185.13377	1.8
187.14859	12.1
189.16393	10.9
191.14375	1.7
191.17986	3.8
193.15872	12.7
201.16318	8.0
203.17902	6.0
207.17506	1.6
213.16391	1.7
215.17964	8.7
217.19547	1.5
229.19470	4.7
231.21158	3.1
247.20592	2.2
271.24203	33.0
289.11978	2.2
289.21622	15.0
289.25226	100.0
296.71310	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01871	4.6
55.05503	7.8
56.48212	1.8
64.89471	2.2
65.03941	5.1
65.47894	1.8
67.05515	22.8
68.99778	2.1
69.03418	6.4
69.07076	10.5
69.26788	1.8
69.77077	4.6
69.77483	9.3
70.26095	1.8
71.05004	15.3
79.05505	27.1
80.72068	1.8
81.03410	2.9
81.06600	2.8
81.07065	48.3
83.04997	16.1
83.08611	8.1
85.02894	2.7
85.06532	7.5
86.08133	1.9
87.04459	3.8
91.05494	16.5
93.03410	9.0
93.07051	59.9
95.04988	16.7
95.08614	33.4
97.06548	28.6
99.04472	17.3
105.07040	41.5
107.04968	10.4
107.08599	29.9
109.06535	29.8
109.10110	6.0
111.04460	12.0
111.08085	16.9
112.51041	2.0
113.05994	5.4
115.03989	3.9
117.03402	2.7
117.05441	2.8
117.07008	3.6
117.52611	2.2
119.08584	20.6
121.06522	87.3
121.10146	21.2
123.04425	16.9
123.08057	5.1
123.11744	11.1
125.05994	11.6
127.03896	6.0
127.07564	10.3
131.08574	8.5
133.06483	2.1
133.10158	19.1
135.04434	24.1
135.08034	8.5
135.11682	2.5
137.05952	8.2
138.90356	1.9
139.03923	50.1
139.07550	27.3
139.11163	5.1
141.05455	2.4
142.07780	4.8
143.07063	5.9
143.08556	5.4
145.10107	7.5
147.08075	5.4
147.11696	43.6
149.09639	4.2
149.13234	2.8
151.03870	4.2
151.07547	2.5
151.11220	21.4
153.01839	13.4
157.05016	2.1
157.08589	10.1
157.10135	16.8
157.12163	4.4
159.06549	5.1
161.06004	2.7
161.13332	9.8
163.03906	11.5
165.12782	17.6
167.10666	8.7
169.12242	14.7
171.08179	2.2
171.11707	14.8
175.11205	33.4
181.10118	4.9
185.11800	2.3
189.12770	24.8
193.12305	32.5
199.11200	27.4
207.13826	15.1
211.13313	34.9
217.12268	100.0
229.14311	7.5
235.13327	99.8
247.15613	2.0
253.11736	4.0
253.14366	56.2
257.10751	2.2
259.05957	3.7
261.07602	3.4
271.15485	3.4
289.06412	24.0
289.11301	4.9
297.11740	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.092
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03940	0.4
55.01861	0.3
57.03426	0.6
61.02918	0.8
69.03437	1.4
69.95518	0.8
73.02916	0.3
81.03417	0.6
82.77692	0.2
85.02431	0.4
85.02909	4.7
86.92525	0.2
87.30598	0.2
91.03986	0.2
97.02895	1.3
99.04463	0.4
109.02888	0.7
127.03922	100.0
128.04303	0.5
135.04408	0.3
139.03902	0.6
141.06523	0.2
145.04964	0.6
201.30305	0.2
249.07558	0.2
263.08444	0.2
271.16422	0.3
289.09219	0.2
289.17581	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	289.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19536	1.3
53.03940	2.1
55.01883	7.5
55.05513	13.4
57.03439	3.4
57.07058	1.9
63.19697	1.2
65.03930	5.1
67.05507	28.6
68.99777	1.5
69.03434	8.0
69.07073	18.1
70.35435	5.2
71.04999	42.5
72.96727	1.5
77.03926	1.4
79.05500	61.9
81.03415	3.4
81.06602	1.7
81.07061	23.9
83.04989	17.5
83.08601	2.7
85.02877	2.9
85.06550	14.3
87.00816	2.7
87.04470	9.8
91.05478	17.6
93.03411	5.2
93.07050	69.2
95.04962	5.7
95.08613	22.9
97.06538	14.4
99.08088	1.7
101.06046	3.4
105.07026	17.4
107.04987	10.0
107.08598	29.6
109.06509	2.6
109.10131	3.2
111.04458	13.7
111.08099	6.5
113.06008	3.8
115.03932	11.8
119.08604	8.3
120.13692	1.3
121.02853	3.4
121.06506	5.2
121.10152	100.0
123.04429	9.7
123.08042	4.0
123.11669	1.7
125.06010	8.5
125.09655	1.8
127.03883	5.8
127.07522	1.9
129.05452	3.8
131.08569	20.9
133.10155	2.6
135.04436	20.5
137.09604	2.1
139.03920	16.2
139.11195	29.4
143.07005	3.0
147.11673	1.6
149.09628	35.9
151.03912	5.3
151.11134	1.5
153.01843	15.5
157.04970	2.8
157.10139	1.5
157.12247	21.6
163.03909	11.0
167.10686	46.3
167.12100	2.3
171.11674	1.6
185.11754	14.5
187.04105	1.4
203.12865	1.9
207.01703	1.3
217.12210	1.6
235.13306	3.7
243.12129	2.4
257.10245	2.1
271.06009	3.3
271.10721	1.9
289.06143	42.7
289.11902	2.0
289.15033	2.1
289.18066	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
51.49190	0.6
55.01858	0.8
60.49335	0.5
61.41847	0.5
65.03941	2.0
67.01867	6.6
68.68520	0.5
68.99786	5.2
69.03426	1.2
69.07058	0.8
70.06583	0.5
70.86600	0.6
70.86922	1.3
74.87774	0.5
79.05518	1.3
81.03432	1.0
81.07040	0.9
83.01335	0.6
85.06554	0.6
89.03931	0.6
91.05474	3.7
92.05807	2.3
93.03405	1.0
95.04976	2.2
97.02889	1.9
97.06516	1.7
105.06967	0.7
107.04959	56.8
111.00783	1.3
111.04451	4.6
119.04939	1.6
120.31339	0.5
121.02869	7.3
123.04431	7.1
127.03925	16.0
129.01840	0.9
131.04965	0.8
131.08572	0.6
133.02887	0.7
135.04414	15.5
137.02306	0.8
139.03912	7.3
141.06995	1.7
145.06566	0.5
147.04381	1.1
147.08041	1.4
149.02347	49.7
150.02998	0.9
151.03889	2.2
153.01834	100.0
163.03889	4.9
167.03424	6.4
169.06474	4.4
171.02896	10.1
173.05928	1.1
182.99107	0.6
187.03973	0.8
187.07645	1.0
195.02910	8.1
197.05911	4.5
200.18265	0.6
215.07030	46.6
225.05457	1.1
242.05753	1.5
243.06535	43.6
254.60431	0.5
259.06033	0.7
261.07770	1.1
271.06024	14.6
289.07065	15.0
289.12253	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	naringenin dibenzoylmethane tautomer
Peak:m/z	Relative Intensity
52.12772	0.2
55.01877	0.5
55.05504	0.3
57.07059	0.3
57.63004	0.2
58.96240	0.2
60.08961	0.2
62.53054	0.2
65.03945	2.2
67.01860	0.5
67.05499	0.8
68.99789	4.5
69.03433	0.9
69.07070	0.8
69.91588	0.5
69.92007	0.7
71.04994	0.7
79.05505	1.1
81.03406	0.4
81.07047	1.1
81.80700	0.3
83.04976	0.6
84.08154	0.4
85.02910	0.7
85.06563	0.6
89.03903	0.3
91.05480	0.6
92.80915	0.2
93.03401	1.5
93.07038	1.4
95.04971	0.9
95.08638	1.2
97.02907	0.6
97.06506	0.2
98.20825	0.3
98.97598	0.2
99.04407	0.3
103.05487	0.4
105.07040	0.7
107.04953	2.1
107.08602	1.1
109.02861	0.3
109.06493	0.5
111.04446	4.1
111.08080	0.3
115.05505	0.3
117.03345	0.2
117.07011	0.3
119.08552	0.8
120.08115	1.0
121.02869	100.0
121.06448	1.2
121.10136	1.0
121.46543	0.2
123.00670	0.3
123.04420	5.2
125.05997	0.3
127.03928	5.5
129.10257	0.4
131.04970	0.3
131.08574	0.2
135.04420	8.8
137.02284	0.3
137.06010	0.3
139.03905	4.9
139.07552	0.4
139.11151	0.4
143.04913	0.2
145.10159	0.3
147.04407	0.3
147.08061	0.4
147.11674	0.6
149.02344	0.7
151.03906	1.7
153.01831	53.4
154.02155	0.4
159.04372	0.5
159.06567	0.3
159.07953	0.3
161.05997	0.2
161.13313	0.4
163.03905	19.5
163.11176	0.7
167.10652	0.3
169.01349	0.5
171.11728	0.2
173.05957	0.3
175.11238	0.4
177.05515	0.3
179.03328	0.3
181.04977	0.2
187.03925	0.3
189.03102	1.1
189.12762	0.3
193.12167	0.3
195.02937	0.4
197.06065	0.3
199.11211	0.3
201.05498	0.3
205.05122	0.3
211.13231	0.5
215.07018	0.3
217.12210	1.1
225.05479	0.5
231.06477	0.5
235.13249	1.1
243.06505	1.2
245.08061	3.1
253.14308	0.6
259.05939	0.6
261.07477	0.7
271.06012	1.5
271.10645	0.9
282.20697	0.3
289.06375	5.3
289.10745	4.4
289.14630	0.5
289.18030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
53.03936	1.3
57.03439	1.6
65.03930	4.7
67.01871	2.0
67.05501	1.9
68.99788	3.8
69.03407	1.4
69.07059	2.0
70.83397	1.0
70.83710	1.9
79.05488	2.9
81.03419	2.4
82.86848	1.0
83.04955	1.3
85.02876	1.7
89.03905	1.5
91.05484	5.5
93.03417	5.1
95.05012	1.4
97.06540	1.7
107.04963	32.3
109.02890	1.1
111.04450	5.4
112.02177	1.3
113.98929	1.0
115.03870	1.0
117.03370	2.1
119.04936	2.3
121.02869	7.6
123.04436	13.1
127.03948	6.7
131.04900	1.9
131.08522	1.4
131.38890	1.1
135.04422	29.6
137.02328	1.6
139.03914	15.9
141.06990	4.1
145.02890	2.8
145.06483	2.1
147.04391	1.6
147.07999	1.6
149.02353	64.9
151.03914	6.6
153.01843	52.5
153.02827	0.8
157.06470	1.3
163.03906	16.5
167.03343	2.2
169.06505	5.2
173.06052	1.8
179.03317	1.3
181.06580	1.2
187.07506	1.8
195.02840	2.6
197.06009	7.6
213.05414	1.8
215.07039	74.0
225.05501	1.7
231.06573	1.6
243.06535	100.0
253.04895	1.6
259.06015	1.7
261.07535	1.5
271.06033	41.8
276.22766	1.2
289.07077	25.8
289.15613	1.8
306.07596	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	(2S)-5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
51.02385	0.3
52.73432	0.3
53.00769	0.3
55.01880	0.5
55.05526	0.3
63.02363	0.3
65.03938	0.8
67.01875	2.5
67.05497	0.8
68.99791	3.0
69.03433	2.3
69.07080	0.4
69.59611	1.6
79.05495	1.3
81.07059	0.7
83.01306	0.3
83.04980	0.4
85.02907	0.4
87.68250	0.3
89.03918	4.7
91.05489	0.6
93.03396	1.3
93.07069	0.4
95.04965	0.7
95.08597	0.5
97.02900	1.3
98.20773	0.6
102.55466	0.3
105.07006	0.3
105.13470	0.3
107.04974	2.1
107.08591	0.7
109.10124	0.3
111.00819	3.3
111.04442	3.1
117.03388	8.1
120.08163	0.4
121.02866	1.1
123.04441	6.9
124.07586	0.4
125.02377	0.3
127.03935	1.0
131.04941	0.3
135.04430	17.8
137.02356	0.6
137.05975	0.4
139.03923	5.0
145.02856	10.0
149.02313	0.4
151.03940	2.6
153.01843	100.0
159.04427	0.8
160.35243	0.3
161.05962	0.8
163.03923	60.2
164.07082	2.1
171.02907	2.5
177.05475	0.5
179.03427	5.8
185.06001	0.5
187.03909	2.4
199.33965	0.3
201.05537	0.4
205.04959	1.6
223.06186	0.4
247.05957	0.7
253.04953	0.5
261.07516	0.4
271.06000	2.5
289.07092	76.9
289.15509	1.2
289.25336	0.5
290.07480	0.6
290.32376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0711
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
50.72284	0.3
51.02398	0.5
53.84795	0.3
54.78098	0.4
55.05517	2.7
57.07059	1.3
60.93214	0.4
62.12192	0.4
63.02364	0.4
65.03945	2.4
65.80600	0.4
67.01877	2.8
67.05504	4.0
68.99785	3.4
69.03440	2.0
69.06732	0.6
69.07076	7.1
69.40162	0.5
69.97861	2.0
70.95873	0.4
71.04981	0.5
71.08625	0.5
72.93801	0.4
75.95306	0.4
79.05499	3.7
81.03418	1.3
81.07065	9.8
83.05014	0.7
83.08603	1.7
85.02903	1.2
85.06551	0.5
89.03919	4.6
91.05493	2.3
93.03411	3.6
93.07053	6.0
95.04956	1.7
95.08614	8.1
95.78249	0.4
97.02900	1.6
97.06522	0.9
97.10162	0.6
98.97618	0.7
99.08093	0.5
100.87527	0.4
105.07040	3.3
107.04961	2.9
107.08615	6.0
109.06542	0.6
109.10172	4.9
110.22010	0.4
111.00798	2.7
111.04452	7.1
111.08079	0.6
111.11745	0.8
116.98579	0.5
117.03393	7.9
117.07011	0.5
119.08611	3.7
121.02892	3.1
121.06512	0.5
121.10157	4.1
123.04440	16.8
123.08114	0.5
123.11717	2.5
125.02424	0.5
127.03917	4.1
131.04910	1.3
131.08569	1.4
133.10110	2.0
135.04431	33.3
135.11674	2.6
137.02377	1.9
137.13272	0.9
139.03918	16.3
139.11195	1.0
140.42525	0.4
145.02863	11.3
145.03986	0.8
145.10144	1.5
145.25766	0.4
145.93892	0.4
147.11685	1.8
149.02383	1.9
149.13268	4.3
151.03938	6.2
151.11165	0.7
153.01843	100.0
157.06532	0.5
159.04424	1.7
159.11714	1.6
161.05974	0.5
161.13248	1.6
163.03922	67.2
163.14842	1.1
165.12791	0.6
171.02928	3.1
173.05847	0.6
173.13287	1.1
175.14836	1.2
175.67509	0.4
177.05516	0.8
177.16437	0.9
179.03423	7.3
187.03897	2.1
187.14838	1.0
189.16441	0.8
191.18063	0.4
201.16386	0.4
203.04906	1.1
205.05016	1.4
215.06999	0.7
215.18015	0.9
229.04945	1.0
231.06555	0.8
243.06615	1.4
247.06068	0.9
253.04926	0.8
259.06058	2.1
261.07611	1.6
271.06015	4.4
271.24103	2.3
285.91696	0.4
288.64240	0.6
289.07092	97.9
289.15302	1.8
289.18161	1.5
289.21725	1.3
289.25299	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	289.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.7
56.96567	21.6
57.03445	3.4
61.02927	7.9
69.03423	5.6
70.06601	1.8
70.99872	2.1
71.05007	4.1
73.02911	4.6
74.15560	1.4
75.81995	1.6
81.03411	8.3
81.38426	2.0
81.40391	1.4
82.03721	2.4
82.99830	9.6
84.96034	3.7
85.02900	14.0
86.03255	2.7
87.04474	2.2
91.05486	1.9
97.01404	8.6
97.02880	9.1
98.97585	29.7
99.04460	1.5
101.00889	76.3
103.02463	2.5
107.04935	1.5
107.24020	1.6
109.02916	7.8
110.97591	6.8
111.04465	3.2
112.01034	1.5
112.99150	2.1
113.00870	9.1
114.97004	1.9
115.00660	2.3
115.02434	32.6
116.98652	9.2
117.04037	3.6
119.01930	100.0
119.04958	2.3
123.04430	9.0
124.02464	1.6
124.99115	3.7
126.98802	2.4
127.02486	2.7
127.03921	51.7
128.98628	2.7
129.00299	2.4
129.02048	1.5
129.03970	11.9
129.50386	1.9
131.00197	1.9
131.01910	21.3
132.98088	3.7
133.03482	36.5
135.04381	15.8
137.03020	8.5
139.02823	3.0
139.03908	62.1
143.00131	4.5
143.01904	25.3
144.99854	6.2
145.03445	11.7
145.04637	2.2
145.04919	2.0
146.99709	1.9
147.01373	2.3
147.03293	2.0
147.04211	1.9
147.05025	7.8
148.04814	2.2
149.02956	3.7
150.99226	2.5
151.03894	5.2
155.01927	1.7
156.98038	2.6
157.03511	5.2
158.99667	6.9
159.01382	2.4
161.01479	3.1
161.02968	45.1
163.03952	6.6
168.99852	16.9
170.99782	1.6
171.01421	6.7
173.01514	2.5
173.02917	11.9
174.99353	3.0
175.00896	3.2
175.04436	3.0
177.00693	3.2
177.02428	3.0
177.04094	1.8
179.03833	1.9
185.02953	3.0
186.04767	3.0
186.99266	1.6
187.00883	31.7
187.02560	2.2
187.04495	2.0
189.02464	10.6
189.04018	2.2
191.04002	13.6
191.54100	4.1
193.00163	4.8
196.99391	10.5
198.04744	2.2
198.54834	2.2
199.00937	10.4
201.02458	5.7
201.05382	2.5
203.04008	3.0
203.99689	1.5
205.01938	14.9
207.01701	2.4
207.03513	4.4
207.05206	3.5
207.55411	6.8
213.02452	3.2
215.00394	44.5
215.02008	1.7
216.55891	2.5
217.01898	13.7
217.05453	2.2
219.01730	3.4
219.03540	10.7
224.16653	1.5
227.04060	4.6
229.01945	17.9
231.03549	2.2
233.01471	4.0
245.05151	3.2
247.03035	53.6
248.99200	4.8
251.04523	2.7
257.01407	4.0
265.04150	9.6
267.00339	7.8
269.05405	5.2
270.05652	1.9
271.06030	3.6
277.04062	2.0
285.01398	3.8
289.04004	11.8
289.07312	10.6
289.14871	1.8
307.05008	5.8
310.88959	1.6
311.06442	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28441	0.9
52.35690	0.9
53.03947	1.7
55.01873	3.0
56.96569	10.2
57.03440	5.8
58.99848	1.4
61.02933	6.2
68.98305	1.2
69.03430	8.6
70.06600	1.9
70.98131	1.6
70.99867	3.0
71.01356	1.2
71.05033	2.5
71.32285	2.0
73.02927	5.6
74.97639	1.3
77.00910	1.3
81.03410	5.8
82.03700	1.1
82.99846	7.0
84.96030	1.0
85.02914	14.5
86.03252	2.3
88.16084	1.2
89.00894	1.8
91.02476	1.1
97.01417	5.5
97.02905	7.4
98.03288	1.4
98.97009	2.1
98.97588	16.8
99.04483	2.7
101.00898	65.0
102.96888	1.2
103.02480	2.4
109.02911	5.2
109.70150	1.1
110.97575	3.9
112.99139	1.5
113.00876	9.2
113.02449	1.3
115.02447	24.2
116.98666	5.7
117.04004	3.1
119.01933	100.0
120.02003	1.1
121.01697	1.6
124.99135	3.1
126.98806	3.4
127.02448	1.9
127.03930	17.9
128.04283	1.1
128.98615	4.0
129.03976	9.7
129.98952	1.3
131.00262	1.3
131.01909	20.3
132.98062	1.7
133.03488	27.7
135.03110	1.4
135.05069	1.6
137.02968	11.9
139.02676	1.0
139.02861	1.0
139.03908	5.9
142.03482	1.6
142.96573	1.6
143.00262	5.0
143.01921	27.4
144.98073	1.4
144.99883	6.8
145.03496	7.9
145.05028	1.8
146.02345	1.5
146.52473	1.6
146.99654	4.4
147.01375	2.9
147.03215	2.9
147.05086	8.7
149.02910	3.0
151.04614	2.2
153.03154	1.3
155.02927	2.1
157.03543	3.5
158.99661	2.9
161.01486	1.9
161.02975	45.4
162.99001	1.3
163.04558	2.0
168.99854	15.1
170.99919	1.7
171.01424	8.2
171.05052	2.1
171.54352	1.6
172.99364	1.5
173.01338	2.0
173.03009	11.5
174.99146	2.7
175.00864	1.2
175.04529	2.6
177.00723	2.2
177.02623	1.9
177.04114	8.6
184.03050	1.5
185.02904	2.3
186.04747	8.0
187.00902	35.6
188.97159	1.7
189.00758	4.8
189.02470	10.9
189.04124	1.6
189.06094	2.0
191.04025	13.1
191.54044	3.0
192.04601	1.5
193.00215	2.9
193.03700	2.2
195.01285	1.2
196.99301	6.7
198.54898	1.9
199.00894	7.9
199.04646	2.1
201.00798	1.6
201.02478	5.9
201.05299	1.2
202.98639	1.2
203.04094	1.5
205.01944	12.8
207.01762	6.0
207.03568	3.1
207.05283	3.1
207.55392	5.3
208.05585	1.5
209.03325	1.2
215.00386	46.1
216.05881	1.3
216.56056	2.1
217.01984	14.6
217.05637	4.6
219.01740	1.6
219.03568	7.7
227.04120	2.4
229.01985	14.0
231.03619	3.1
233.01428	4.1
233.03439	1.2
243.03593	1.7
245.05127	3.9
247.03029	42.7
248.99309	2.3
251.04390	2.4
252.04718	1.2
259.03006	2.4
265.04144	7.5
267.00284	3.5
269.05554	4.4
270.05832	1.8
271.03101	1.3
275.02881	1.3
277.04193	1.2
280.06348	3.8
288.58121	1.3
289.03879	8.2
289.15094	1.7
293.05536	1.5
294.05850	2.0
307.05240	3.3
311.06567	2.2
312.06927	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70465	0.5
53.03965	0.5
55.01877	1.2
57.03133	0.5
57.03437	1.7
61.02922	1.8
63.84998	0.5
65.03941	1.6
67.05525	0.7
68.27795	0.5
68.99800	0.6
69.03433	5.0
70.85954	1.3
71.05009	0.9
72.08167	1.5
72.93798	1.5
73.02924	1.6
81.03422	1.7
83.05005	1.3
85.02914	22.1
85.42033	0.5
86.09728	1.5
87.04489	0.7
91.05495	100.0
97.02908	20.1
99.04464	1.0
105.07068	1.0
107.04968	2.0
109.02910	1.3
111.04446	0.5
113.96400	0.7
115.03979	2.5
117.07014	1.0
123.04488	1.1
127.03937	4.9
129.10269	0.9
132.95877	1.5
133.06529	0.9
135.04453	1.8
138.05534	0.7
143.08568	1.1
145.04980	6.3
145.06126	0.6
145.06558	0.8
149.02347	1.3
150.97026	0.7
153.01868	2.7
153.07010	0.5
155.97438	0.8
158.97435	6.1
161.04477	1.5
161.05901	0.8
163.06049	1.7
165.99573	1.0
171.08115	0.8
175.07674	0.8
176.98482	2.5
180.08768	1.3
181.99036	4.1
194.11252	0.6
199.07698	0.6
200.00104	0.7
200.04382	0.6
200.98482	5.8
215.07066	1.8
217.08714	2.4
218.99573	0.7
224.00169	1.8
228.98300	0.5
235.09801	0.9
242.01187	2.3
242.05196	0.6
243.06750	1.1
253.10748	1.1
265.00204	1.1
271.06195	0.6
288.02231	0.9
288.05969	6.4
288.10703	2.2
289.06915	0.7
302.64673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2368
Annotation	Retinol
Peak:m/z	Relative Intensity
53.03939	1.4
55.05516	7.8
56.04707	0.8
57.07060	2.9
62.06099	0.8
67.01865	1.7
67.05512	6.4
68.99786	5.5
69.07063	6.0
70.65252	2.5
71.08625	0.8
79.05493	7.8
81.06595	1.3
81.07060	18.8
83.08611	2.5
85.06511	1.0
85.47820	0.8
91.05483	14.8
93.06489	1.4
93.07048	23.4
93.53281	0.9
95.04945	1.4
95.08604	15.6
97.10173	1.3
99.08133	0.8
105.07034	26.1
107.08597	19.8
109.06517	1.7
109.10158	8.0
117.07009	3.6
119.07804	1.4
119.08584	16.9
121.06541	2.0
121.10146	9.5
123.08105	1.3
123.11678	5.9
128.06252	1.0
129.07021	2.2
131.08578	5.5
133.10146	18.0
135.04434	2.6
135.08098	1.0
135.10686	1.6
135.11690	21.7
137.02235	1.2
137.09616	1.3
142.07802	0.9
143.08563	5.3
145.10120	7.1
147.04399	0.9
147.11690	28.2
149.02315	1.0
149.09644	1.0
149.13220	2.2
153.01845	9.1
153.12791	1.0
156.09375	1.2
157.06438	0.9
157.10135	5.4
159.11700	7.8
161.13280	6.4
163.14880	1.8
165.12715	1.4
167.08612	0.9
170.10875	1.4
171.02977	1.0
171.04372	1.6
171.11740	4.8
173.05949	1.4
173.13287	7.1
175.03935	1.1
175.11166	1.1
175.14830	5.4
177.06738	1.3
177.12817	1.5
185.05945	1.0
185.13301	4.1
187.14810	7.3
189.16428	2.3
191.14252	1.0
199.03922	3.7
199.14824	6.4
201.05435	1.5
201.16385	1.5
203.03349	1.2
205.15836	1.4
213.05464	3.2
213.16386	9.3
214.17000	1.0
215.17947	0.9
217.04997	2.3
219.06615	1.9
227.17908	2.5
229.19524	1.2
230.24805	2.1
231.17412	4.1
231.25133	4.2
240.79457	0.9
241.04910	2.6
241.19365	1.5
245.04482	3.1
253.50558	0.8
269.04507	2.1
269.19363	1.3
269.22653	28.4
275.21588	0.8
287.05505	100.0
287.20291	2.9
287.23679	47.6
287.31311	17.5
288.05774	2.3
291.26218	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2371
Annotation	Helicallenal
Peak:m/z	Relative Intensity
50.85067	2.1
54.08707	1.7
55.05500	6.4
55.79487	1.8
57.07058	3.5
67.05511	12.8
69.07072	16.3
71.04977	2.3
71.52771	2.3
71.53139	2.7
72.55003	2.2
73.05055	1.7
79.05499	11.7
81.06660	2.6
81.07070	27.2
81.32942	2.3
83.04963	3.3
83.08604	4.6
91.05477	7.4
93.07047	24.0
95.08617	28.3
97.00533	3.5
97.06485	3.0
97.10148	4.2
99.08072	2.7
102.61177	1.9
105.07056	18.1
107.08609	33.5
109.06495	3.5
109.10165	23.9
111.08109	3.2
111.11724	2.1
119.08590	18.6
121.06493	4.0
121.10167	17.4
123.08070	3.5
123.11703	8.5
131.08540	6.9
133.10126	16.7
135.01964	2.6
135.11697	11.5
137.05969	3.0
137.09650	15.6
137.13257	3.9
143.08545	4.4
145.10106	9.2
147.06061	1.8
147.11679	18.1
149.13271	24.4
151.11183	5.7
153.01825	5.9
157.10123	7.0
159.11722	10.5
161.09624	3.9
161.13260	11.0
163.11189	2.5
163.14793	4.5
171.11650	3.4
173.13263	8.7
175.14812	4.9
177.06721	11.0
177.12758	14.6
181.23418	2.2
185.13246	2.5
187.14796	4.4
189.12796	2.1
189.16356	8.0
191.14278	4.1
199.14743	5.2
203.17941	11.9
213.16348	10.6
217.15834	3.2
227.17923	3.3
229.19571	12.5
231.17477	6.3
265.50897	2.2
269.22650	32.6
287.05499	64.2
287.08173	4.1
287.20523	3.8
287.23697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2369
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
53.03947	1.8
55.05522	8.5
57.07060	4.2
64.51552	1.2
65.03941	1.4
66.23538	1.3
67.05228	1.0
67.05508	11.8
68.99780	2.4
69.03429	1.3
69.07063	13.2
71.04973	5.3
71.53391	2.0
79.05491	17.2
81.07060	69.8
83.04980	2.0
83.08616	6.3
85.06531	1.6
91.05492	10.3
93.06483	1.9
93.07047	28.1
93.48354	1.4
95.04962	3.5
95.08611	29.8
97.00550	1.9
97.06529	7.4
97.10151	2.6
99.08106	3.3
105.07034	31.5
107.08597	38.5
109.06556	5.7
109.10165	18.6
111.08097	2.2
111.11710	2.8
113.06003	1.8
115.05435	1.6
117.07013	4.2
119.08590	28.1
121.02867	1.2
121.10139	26.1
123.08073	3.1
123.11718	9.5
125.06016	2.0
125.09624	2.8
127.11179	3.4
129.06982	2.5
131.08588	9.9
133.10136	18.2
135.04420	3.1
135.08057	2.5
135.11693	13.5
137.02327	1.5
137.05975	7.4
137.09636	1.7
137.13248	4.3
139.07538	1.8
139.11176	1.6
143.08568	7.0
144.09421	1.2
145.10146	18.3
147.08051	1.7
147.11696	18.7
147.23039	1.2
149.09612	2.0
149.13261	18.4
151.07549	3.4
151.11179	1.4
151.14859	1.7
153.01854	9.2
156.09370	1.6
157.10124	10.1
159.11687	18.0
160.12512	1.4
161.13293	16.1
163.14825	5.1
171.11678	7.6
173.13246	8.8
175.14832	7.6
177.06770	8.1
177.12886	1.4
177.16400	6.2
185.13298	8.8
187.14857	9.6
189.12732	1.6
189.16420	7.3
191.14348	1.4
191.17996	3.0
199.03864	1.6
199.14870	7.4
201.16368	13.2
203.03346	1.2
203.10706	1.4
203.14388	3.2
203.17996	5.9
210.79941	1.2
213.05447	2.0
213.16368	10.2
215.18050	1.8
217.15808	1.7
227.17969	4.4
229.19522	5.1
231.17433	2.3
241.19392	1.8
243.21164	4.5
245.18973	1.5
259.20633	2.0
259.24213	2.3
269.19458	2.4
269.22601	24.1
287.05499	100.0
287.07922	4.0
287.20151	6.3
287.23685	50.9
287.26932	2.7
287.31253	1.2
288.05914	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	287.237
Annotation	Helicallen-16-al
Peak:m/z	Relative Intensity
53.03952	2.3
55.05515	7.7
57.03436	1.1
57.07058	3.0
58.64558	1.0
67.01842	1.0
67.05502	13.8
68.99785	2.8
69.03403	1.3
69.07065	12.4
69.10880	1.1
71.53891	1.6
76.14816	1.1
79.05070	1.8
79.05495	18.9
81.07059	47.0
82.07387	2.3
83.08603	3.8
83.91840	0.9
86.10583	0.9
91.05482	17.9
93.07047	32.9
95.04964	2.8
95.08611	38.2
97.06514	2.9
97.10188	1.9
105.07034	26.5
107.08599	44.0
109.06517	6.7
109.10158	14.8
111.00854	1.2
111.08083	18.6
117.06991	7.9
119.08580	26.6
121.06496	1.8
121.10143	22.2
123.08070	1.9
123.11694	6.4
125.09625	1.7
128.06238	1.6
129.06993	4.3
130.07785	1.4
131.08577	14.3
133.10138	24.4
135.04446	3.0
135.11694	15.3
137.02380	1.0
137.05983	7.6
137.09593	4.6
137.13261	1.7
139.07535	1.1
139.11194	2.3
142.07852	1.4
143.08548	7.8
145.10127	17.1
147.08125	1.7
147.11691	17.1
149.09671	1.7
149.13271	15.8
151.07524	3.5
151.11185	4.2
151.14790	1.3
153.01833	9.2
153.12711	1.1
156.09398	1.9
157.10136	9.3
159.11691	14.5
161.09612	1.5
161.13246	9.5
163.11261	1.1
163.14839	2.9
165.12767	3.9
169.10138	2.0
170.10924	1.5
171.11716	9.6
173.13271	14.8
175.03865	1.1
175.14822	5.5
177.06850	1.4
177.12759	2.1
177.16299	1.2
179.14359	1.8
183.11700	1.1
185.13290	9.6
187.14845	10.1
189.09079	1.2
189.16428	3.3
191.14302	1.7
193.15910	2.4
199.03922	2.4
199.14838	12.1
201.16486	5.2
203.03442	1.8
203.14359	1.2
203.18011	1.6
205.15935	1.5
211.14792	1.3
213.05458	2.0
213.16365	8.7
217.05043	1.4
217.15855	3.1
219.06532	1.4
219.17484	1.9
225.16278	1.0
227.17941	14.0
228.18706	1.8
229.19528	29.8
231.17430	2.9
241.04919	1.9
241.19501	2.2
245.04594	2.6
259.20621	1.4
259.24319	1.1
269.04584	1.2
269.19360	2.0
269.22653	22.1
287.05508	100.0
287.20120	9.7
287.23685	81.3
287.31348	3.2
288.05881	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	287.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.05511	7.4
57.07072	4.6
60.11185	1.4
67.05509	11.4
69.03442	2.0
69.07069	12.3
71.04977	1.5
79.05502	40.1
81.07060	100.0
83.04969	2.2
83.08627	2.7
91.05475	20.0
92.46895	1.5
93.07051	52.3
95.04994	3.4
95.08613	19.7
97.06539	5.3
97.10146	1.7
101.89522	1.4
105.07042	20.5
107.08598	87.6
109.06525	29.9
109.10165	9.4
117.07021	3.4
119.08607	9.9
121.06519	4.9
121.10147	30.3
123.08066	14.6
123.11710	3.1
125.05975	8.6
127.07436	1.5
129.06972	3.4
131.08575	8.9
133.10155	8.2
133.40903	1.4
135.04478	2.1
135.08054	5.3
135.11688	4.8
137.05986	61.3
137.09608	1.9
137.13255	2.8
139.07559	15.2
141.06956	2.0
143.08556	5.3
145.10150	9.8
147.08078	4.2
147.11710	6.4
149.09616	4.2
149.13266	64.2
151.07552	19.8
151.11066	1.6
151.14844	2.6
153.01855	4.3
157.10146	5.4
159.11713	5.5
161.09604	7.5
161.13333	6.9
163.07545	6.8
163.11157	2.2
163.14850	2.5
169.10167	1.7
171.11682	4.7
173.09657	2.8
173.13286	2.1
175.11174	3.2
177.09105	3.9
177.12703	1.4
183.11694	2.3
185.13312	5.1
187.11263	1.8
187.14842	4.1
189.09146	3.6
189.12772	2.8
191.10689	2.9
199.14900	1.7
203.10658	3.3
205.12303	1.6
213.12805	2.2
213.16499	2.7
217.12347	2.3
227.18105	2.6
231.13803	2.2
237.21677	1.9
241.19620	6.0
243.17424	2.6
243.42566	1.6
245.19089	1.9
259.20621	7.8
269.19046	7.1
276.67892	1.7
287.05521	50.3
287.20078	24.2
287.23334	2.6
287.31354	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	287.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01871	1.4
57.03430	1.9
62.26654	0.4
65.03942	0.5
67.05505	1.1
68.99795	3.2
69.03436	1.2
69.07072	0.9
69.38832	2.6
69.39243	1.0
70.06597	0.6
75.04483	0.6
77.03920	0.6
78.04727	0.8
79.05502	7.5
81.03438	0.6
81.07066	2.0
81.13492	0.5
83.04993	1.0
85.02902	0.8
91.05495	3.9
93.07065	1.2
95.04996	2.3
95.08603	0.7
97.00567	0.5
99.04466	0.6
103.05485	7.4
105.04525	0.5
105.07042	7.6
107.04963	51.5
107.08568	0.8
109.02825	0.7
109.06511	0.8
111.00813	1.6
112.43707	0.4
114.07858	0.5
114.09171	1.7
115.05471	2.7
117.07018	2.2
119.04922	0.8
120.05743	1.6
121.02903	1.2
121.06484	2.0
122.03648	0.8
123.04423	3.9
124.05236	2.4
125.05980	1.2
129.07036	0.9
131.04953	2.8
133.06523	2.5
135.04448	0.9
135.08058	14.2
137.06010	2.6
138.35858	0.5
145.06538	0.6
145.07576	1.3
147.04510	1.0
148.05202	0.6
149.02367	4.3
149.05980	2.0
151.03918	0.8
151.07588	1.2
152.04654	1.3
153.01884	1.5
154.06256	2.4
155.04893	0.6
157.06514	1.1
161.05913	0.7
163.07556	39.7
165.05486	1.1
165.06744	0.5
165.09119	0.9
166.06171	0.5
167.07053	100.0
168.07742	1.1
169.06497	0.6
171.04416	1.7
173.06006	0.8
175.03880	1.0
177.05438	0.9
177.06836	1.0
180.07869	3.2
181.08626	1.3
185.06026	1.5
187.03955	0.7
188.07155	0.6
193.08607	4.0
194.07283	0.6
195.08138	2.8
195.10172	31.2
197.05968	0.5
199.03902	2.3
201.05502	1.1
203.03406	1.8
211.07820	0.8
211.09665	5.9
212.08347	0.7
212.10428	0.8
213.05527	3.5
213.11235	45.3
217.05016	1.2
219.06548	1.2
224.07982	0.5
227.10674	3.1
231.06599	2.3
241.04964	2.0
241.09634	0.6
245.04611	2.5
255.10245	2.1
259.05960	3.7
269.04507	1.1
269.09277	0.9
285.91864	0.5
287.05521	47.0
287.10083	2.4
287.13284	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	287.1278
Annotation	4-O-Methylangolensin
Peak:m/z	Relative Intensity
53.03949	0.9
55.35906	0.3
57.03423	0.3
65.03958	0.3
67.01859	0.6
67.05503	0.5
68.99795	1.7
69.03426	0.4
69.07066	0.8
69.75538	1.4
69.86341	0.3
79.05498	2.2
79.35609	0.3
81.07056	1.8
83.08634	0.3
89.00347	0.3
89.03922	1.3
91.05499	0.9
93.07034	1.1
95.04974	2.2
95.08620	1.1
101.52369	0.3
103.05475	1.2
105.04549	0.4
105.07022	3.0
107.04958	100.0
107.08607	2.2
109.06522	0.3
109.10154	0.7
111.00840	0.6
111.04506	0.3
115.05460	0.5
116.94842	0.3
117.03388	2.0
119.08599	1.4
121.06502	2.5
121.10129	0.6
122.06842	1.2
123.04436	0.8
123.07078	0.4
131.04929	1.0
131.08560	0.4
133.10149	0.6
135.04417	4.7
135.08054	7.1
137.02348	0.6
137.05978	0.5
139.07553	0.8
145.02823	2.1
145.10190	0.4
147.04414	0.3
147.11694	0.3
149.05977	0.7
149.13275	0.6
149.64124	0.4
151.03908	16.2
151.07556	0.4
153.01845	3.1
157.10159	0.5
159.11713	0.8
161.13264	0.4
163.03914	11.3
163.07552	10.7
169.04948	0.9
171.03032	0.3
171.04417	1.2
171.11642	0.5
173.05974	0.5
175.03897	0.6
175.07578	0.3
177.05475	1.7
177.06799	0.9
181.08597	45.7
185.13275	0.6
189.05559	0.4
193.08594	0.4
195.08084	0.7
199.03925	2.0
201.05467	0.7
203.03401	0.7
213.05414	1.2
213.16730	0.3
216.81918	0.3
217.04959	0.8
219.06476	0.6
223.07518	0.7
241.04918	0.9
241.08640	1.9
245.04414	1.2
269.04526	0.6
269.08051	1.9
269.11539	1.5
269.18939	0.8
269.22180	0.3
272.06787	0.6
287.05466	43.6
287.09079	17.2
287.12732	16.2
287.20023	1.6
287.23447	0.6
287.27612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01859	1.3
55.05506	1.1
56.96306	1.3
56.96569	18.8
57.03437	3.5
61.02911	2.8
65.03930	1.0
67.05517	0.7
68.99790	2.6
69.03146	0.6
69.03435	6.6
69.07076	0.8
70.06590	1.2
70.09001	1.8
70.09381	1.4
70.98113	0.8
71.04993	1.7
73.01718	0.6
73.02930	3.5
79.05493	2.8
81.03399	2.0
81.07048	2.8
83.04994	0.6
84.04498	0.8
84.08136	2.0
84.96030	2.6
85.02444	0.8
85.02914	11.4
87.04472	1.7
89.03913	2.2
91.05492	4.1
93.07042	1.2
95.04942	0.9
95.08636	0.8
97.02895	6.4
98.43250	0.7
98.97590	16.1
99.04459	1.1
100.99125	0.6
101.02360	0.8
105.06998	1.0
107.04962	1.7
107.06903	0.6
107.08613	1.6
109.02892	2.4
109.06476	1.4
109.10216	0.6
110.01279	0.8
110.07159	1.1
110.97570	4.0
111.00821	0.9
111.04434	1.2
111.07468	1.0
112.07592	2.3
112.99110	1.1
116.98631	7.4
117.03374	1.6
119.01819	2.1
119.04939	2.9
119.08555	0.6
121.02875	3.1
121.06503	0.9
121.10162	0.6
123.04433	2.2
124.03932	1.0
124.07574	1.2
124.99110	2.9
125.01746	0.8
125.07116	1.4
125.07954	1.3
127.03928	3.7
128.02267	1.0
128.07068	0.7
128.98619	4.2
130.08632	1.6
130.93311	2.1
131.00197	1.3
131.01823	1.4
133.02826	0.6
134.99646	2.2
135.04410	4.4
137.05963	1.7
139.03952	1.4
140.02357	0.9
140.98608	1.3
143.00175	5.2
143.03491	0.7
145.01802	0.8
145.02750	1.3
145.04921	0.8
146.99651	2.1
147.04393	10.3
148.04768	2.0
149.01239	0.9
149.02379	2.3
149.05942	0.6
149.13223	1.2
152.02335	0.9
152.98608	1.2
153.01869	3.9
156.03363	1.4
157.01671	0.8
158.02370	0.9
158.99652	4.4
159.03238	1.8
161.01224	4.8
161.02728	1.3
163.03905	14.6
164.04218	1.6
164.12643	0.9
165.04123	0.7
167.02866	0.8
168.98079	0.7
170.99692	3.0
171.04353	0.8
172.94373	2.8
173.01205	1.7
173.02901	1.2
174.04405	1.8
174.99239	0.9
175.04060	1.2
177.00740	4.9
179.00189	0.9
182.03374	1.9
182.99709	1.3
183.04172	0.7
185.01207	2.0
185.05971	0.8
186.04410	2.2
186.99120	1.2
188.03288	1.6
189.00691	4.5
189.05542	0.8
190.95351	5.0
191.03908	2.3
193.00238	0.7
195.01787	0.7
197.03973	3.6
197.05589	0.6
199.03929	1.2
200.04398	1.2
201.00777	2.5
203.03690	1.1
204.05446	2.1
205.00227	0.8
206.02663	1.3
206.04440	3.5
207.01788	3.4
207.05220	1.8
208.96472	1.4
213.00740	1.2
213.05521	1.3
214.95435	0.8
217.00220	1.0
217.05048	1.1
219.01691	3.7
219.06464	1.0
221.05031	1.3
228.05457	1.1
231.01785	1.5
231.06534	1.3
232.96553	3.1
233.03343	1.0
235.01270	1.3
237.00504	0.7
237.02838	2.4
241.00232	2.2
241.05093	1.2
244.99730	0.9
245.04520	0.8
249.02827	3.4
250.97543	1.5
251.04294	0.7
259.01300	1.4
259.05936	1.0
261.08167	1.0
263.00769	1.3
263.04199	0.7
267.03894	2.6
269.05020	2.5
273.02817	1.5
287.05695	32.5
287.11008	100.0
287.17853	2.9
291.03879	2.7
304.98602	1.3
309.04935	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0915
Annotation	4-O-Methylbutein
Peak:m/z	Relative Intensity
53.03943	1.0
54.46348	0.3
55.01863	0.6
55.05501	0.9
56.96544	0.5
57.07072	0.4
59.04968	0.3
65.03941	0.6
67.01866	0.5
67.05498	1.0
68.99792	3.6
69.03452	0.3
69.07060	0.9
69.97459	1.5
71.04972	0.4
77.92697	0.3
79.05495	0.9
79.21628	0.3
81.03419	7.3
81.07063	1.7
89.03917	4.2
91.05477	1.5
93.03389	0.8
93.07036	1.2
95.04967	0.7
95.08603	1.6
96.02098	0.6
98.20799	0.5
98.97580	0.7
105.03397	0.3
105.07030	1.5
107.04956	1.3
107.08598	1.8
109.02882	0.9
109.06527	0.7
109.10204	0.9
110.03638	0.6
111.00818	0.8
111.04440	1.5
117.03384	14.4
117.07082	0.5
119.08600	1.1
121.02809	0.5
121.06535	0.8
121.10146	1.1
122.38713	0.3
123.04476	0.9
123.08102	0.7
125.05975	1.3
127.03930	0.9
129.06981	0.3
131.08600	0.6
133.10139	1.1
134.03635	1.2
135.04446	3.1
135.08089	0.6
135.11667	0.6
136.05203	0.6
137.02344	100.0
137.05888	2.1
143.08559	0.7
145.02849	26.8
145.10138	1.0
147.04416	0.6
147.11690	0.8
149.06017	4.1
150.03207	0.7
151.07588	0.7
153.01836	2.9
153.05516	0.8
154.02617	0.3
155.03389	3.5
157.06471	0.8
159.11710	0.5
161.02345	0.5
161.09680	0.6
162.03145	0.6
163.03912	12.5
169.06613	0.3
171.04433	1.5
171.11674	1.0
173.05968	0.6
173.13330	0.7
175.01555	0.7
175.03923	0.7
177.05475	40.6
181.06491	1.8
184.64751	0.4
185.06020	1.1
185.13281	0.7
186.05518	1.0
187.14877	0.4
193.10068	0.4
197.06210	0.3
199.03947	1.7
199.07625	0.8
201.05424	0.6
201.09103	0.4
201.12686	0.4
203.03319	0.8
209.06026	0.9
213.05518	0.7
213.12688	0.6
217.04929	0.8
217.08582	0.5
219.06467	0.9
226.06268	0.8
227.03375	0.6
227.07031	0.6
227.17973	0.5
237.05479	0.8
241.04984	1.2
241.08658	1.6
245.04446	1.3
245.08157	0.5
254.05807	0.7
255.06651	0.6
257.04697	0.4
269.04694	0.8
269.08121	3.1
269.18979	1.0
271.05969	0.9
272.06732	2.4
287.05563	42.6
287.09158	98.6
287.20056	2.6
287.23358	0.8
288.09497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0912
Annotation	Calythropsin
Peak:m/z	Relative Intensity
53.01866	0.4
55.01860	0.5
55.05508	0.5
61.59740	0.4
63.02347	0.4
63.33401	0.4
63.35348	0.4
65.03938	1.1
67.05501	1.2
68.99791	2.6
69.07065	0.8
69.58735	0.4
71.08668	0.4
71.33010	0.4
75.15885	0.4
79.05494	2.0
81.07061	2.1
89.03915	6.3
91.05484	0.9
93.03394	1.1
93.07039	1.1
95.04974	10.1
95.08608	1.2
105.07001	0.9
107.04951	3.2
107.08577	1.4
108.02085	1.6
109.10167	0.5
111.00817	0.7
111.04445	2.0
117.03378	9.1
117.06937	0.4
119.01353	0.5
119.08546	0.8
121.02772	0.5
121.06475	1.2
121.10155	0.7
123.04443	3.4
125.05988	0.6
131.08595	0.5
133.10080	0.7
135.04420	17.6
135.07948	0.4
135.11711	0.4
137.02356	0.7
139.03902	1.5
144.02043	0.6
145.02850	12.6
145.03993	0.7
147.11739	0.6
149.05977	1.7
151.03906	93.0
152.04260	0.9
152.06277	0.5
153.01816	4.5
159.04483	0.4
161.02269	0.5
161.06062	0.5
163.03911	58.9
169.04979	4.9
171.04390	1.2
173.06003	0.7
175.03931	0.9
175.11243	0.4
177.05481	8.3
177.06860	1.0
180.05788	0.7
185.06029	0.5
186.05496	0.8
186.11607	0.4
189.18217	0.4
195.08102	3.0
197.06215	0.5
198.06752	0.9
199.03934	2.5
201.05470	0.5
203.03404	1.0
209.06029	0.7
210.06737	0.7
213.05450	1.6
213.09109	0.5
217.04953	1.1
219.06689	0.5
223.07553	2.9
226.06325	2.7
227.03528	0.5
227.06938	0.7
241.04904	1.3
241.08597	8.2
245.04419	1.4
251.07121	1.3
254.05966	0.7
259.06067	0.6
269.04791	0.9
269.08093	9.0
269.22620	0.6
272.06799	2.9
287.05521	52.6
287.09125	100.0
287.19928	1.3
287.23618	1.2
288.09512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.02385	0.1
53.03961	0.1
54.09233	0.0
55.01868	0.1
55.05511	0.1
63.33718	0.1
65.03945	0.2
67.01865	0.6
67.05505	0.1
68.99476	0.1
68.99795	1.6
69.03426	0.1
69.07058	0.1
69.67022	0.2
69.67433	0.1
71.01360	0.1
79.01824	0.1
79.05495	0.5
81.03420	0.2
81.07063	0.1
85.02915	0.1
89.03927	0.2
91.05499	0.1
93.03442	0.1
93.07044	0.1
95.04996	0.2
95.08643	0.1
97.02880	0.1
97.06544	0.2
103.05466	0.2
105.03395	0.6
105.07053	0.1
105.92947	0.1
107.04962	0.7
107.08620	0.1
109.02882	0.5
110.03675	0.1
111.00818	1.0
111.04450	0.2
115.05468	0.1
117.03409	0.2
117.07022	0.1
119.04967	0.2
121.02879	4.0
121.03922	0.2
121.06509	0.1
124.99216	0.1
125.02355	0.1
127.03939	0.2
128.06287	0.1
129.01859	0.1
129.07036	0.2
131.04950	0.1
133.02875	0.6
133.10117	0.1
135.04427	1.4
135.08061	0.1
136.46571	0.1
137.02348	1.7
139.05441	0.1
141.06966	0.2
143.04929	0.1
144.05641	0.1
145.06509	0.4
147.04413	1.2
149.02299	0.1
151.03853	0.1
153.01840	9.6
157.06499	0.9
161.02354	0.4
161.05965	0.3
165.01854	2.3
169.06512	0.1
171.02895	0.2
171.04437	0.5
173.06030	0.1
175.03958	0.2
175.07605	0.1
179.03430	0.2
183.02896	1.0
183.04492	0.1
185.05974	0.9
189.00711	0.1
189.05450	0.2
195.04314	0.1
195.08131	0.1
197.06030	0.2
199.03926	0.2
201.05511	0.1
203.03448	0.3
203.07095	0.2
213.03438	0.1
213.05476	2.2
214.06075	0.1
216.04282	0.1
217.05020	0.2
219.06522	0.1
229.04939	0.3
231.06511	1.0
241.04964	1.5
241.07492	0.1
243.06496	0.2
245.04431	0.2
258.05261	1.6
259.06036	0.8
263.05505	0.1
269.04477	0.5
286.04724	0.1
287.05511	100.0
288.05798	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.83416	0.1
67.01868	1.3
68.99791	1.0
69.57465	0.4
79.05492	0.4
81.03427	0.1
89.03909	0.5
92.32243	0.1
93.07064	0.1
97.02882	0.1
98.20844	0.1
107.04964	0.2
109.02894	0.1
111.00800	0.3
111.04463	0.1
114.41595	0.1
116.42418	0.1
117.03398	0.7
125.02328	0.1
127.03893	0.1
129.01805	0.2
129.06972	0.1
133.99306	0.1
135.04417	4.1
137.02339	1.2
137.03993	0.1
139.05412	0.1
147.04411	0.1
153.01828	10.3
157.06516	0.2
161.02330	1.2
171.02888	0.4
171.04390	0.2
174.74420	0.1
175.03848	0.1
179.03426	0.6
185.05934	0.4
199.03828	0.2
201.05336	0.1
203.03439	0.3
213.05443	0.5
214.06001	0.1
217.04997	0.1
219.06433	0.2
231.06534	0.1
241.04948	1.3
241.13251	0.1
245.04428	0.3
258.05176	0.1
259.06091	0.2
263.05627	0.2
269.04480	0.9
283.47583	0.1
287.05490	100.0
288.05847	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79330	0.1
53.03941	0.1
55.01866	0.1
58.57054	0.1
65.03941	0.3
67.01862	0.3
67.05498	0.1
68.99790	1.8
69.02192	0.1
69.03430	0.2
69.47012	0.3
69.47421	0.2
71.01357	0.1
72.88366	0.1
79.05498	0.5
81.03413	0.3
81.07047	0.1
82.37849	0.1
91.05489	0.2
93.03464	0.1
93.07072	0.1
94.04163	0.1
95.01331	0.1
95.04975	0.3
97.02881	0.2
98.21507	0.1
103.05489	0.2
105.03397	0.7
105.06999	0.1
107.04957	0.9
107.08572	0.1
108.02106	0.1
108.92273	0.1
109.02898	0.7
111.00807	1.3
111.04443	0.2
115.05415	0.1
117.07030	0.1
119.04967	0.2
121.02873	5.7
121.03912	0.2
125.02415	0.1
127.03896	0.2
128.06186	0.1
129.07001	0.3
131.04898	0.1
133.02852	0.8
135.04422	0.4
137.02344	1.8
141.06946	0.2
142.68306	0.1
145.06456	0.4
147.04416	1.1
153.01836	9.5
155.06042	0.1
157.06505	1.1
161.02394	0.1
161.05980	0.4
163.03944	0.1
165.01843	3.1
169.06476	0.1
171.03032	0.1
171.04439	0.6
173.05975	0.1
175.03970	0.2
175.07538	0.1
179.03397	0.1
183.02899	1.3
183.04506	0.1
185.05977	1.0
189.05476	0.3
194.02135	0.1
197.06036	0.2
199.03896	0.2
201.05553	0.1
203.03357	0.2
203.07050	0.2
212.04688	0.1
213.05461	2.7
216.04300	0.1
217.04893	0.1
219.06435	0.1
229.05003	0.4
231.06523	1.2
240.04184	0.1
241.04922	1.5
243.06549	0.2
245.04424	0.2
258.05273	1.9
259.06030	0.8
269.04312	0.4
286.04706	0.1
287.05502	100.0
288.05841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31638	0.0
55.01881	0.1
67.01530	0.1
67.01871	1.2
67.05524	0.0
68.99442	0.1
68.99790	1.1
69.03418	0.1
69.49152	0.1
69.49558	0.3
79.05502	0.3
81.03439	0.1
81.07052	0.1
89.03915	0.5
91.05488	0.2
93.07061	0.1
95.04979	0.1
97.02862	0.1
103.05450	0.1
105.03403	0.1
105.07021	0.1
107.04962	0.3
107.08562	0.1
109.02882	0.2
109.06506	0.1
111.00809	0.2
111.04455	0.2
115.05466	0.1
117.03393	0.7
119.04910	0.1
121.02859	0.4
121.06509	0.1
123.04436	0.1
125.02378	0.1
127.03918	0.1
128.06244	0.1
129.01819	0.3
129.07016	0.1
131.04951	0.2
131.08566	0.1
133.02811	0.1
135.04420	3.7
135.08058	0.2
137.02356	1.1
137.03366	0.1
137.05975	0.5
139.05490	0.1
143.04959	0.1
145.06506	0.1
147.04436	0.2
149.02330	0.1
149.05997	0.4
151.03952	0.1
151.07576	0.3
152.06236	0.2
153.01831	10.4
155.04924	0.1
157.06442	0.3
161.02348	1.1
161.05986	0.1
163.03934	0.1
163.07558	0.5
165.01808	0.2
165.07021	0.1
165.09064	0.1
166.07832	0.1
167.04919	0.1
167.08545	0.7
171.02898	0.6
171.04446	0.2
175.03969	0.1
177.05515	0.1
177.07022	0.1
179.03374	0.4
181.06487	0.1
183.02922	0.1
183.04457	0.1
184.08778	0.1
185.06017	0.3
189.05489	0.1
194.07198	0.1
195.08066	1.0
196.08931	0.1
197.06006	0.2
199.03932	0.2
201.05496	0.1
203.03435	0.3
209.09732	0.1
211.07527	0.1
212.08334	0.2
213.05463	0.6
217.05002	0.1
218.05829	0.1
219.06500	0.2
223.04016	0.1
223.07568	0.3
227.03456	0.1
227.10649	1.2
231.06448	0.2
240.04105	0.1
240.07854	0.1
241.04950	1.4
241.07452	0.1
245.04434	0.2
255.10204	1.0
258.05267	0.2
259.06049	0.2
263.05548	0.1
269.04459	0.9
269.11832	0.1
286.04681	0.1
287.05496	100.0
288.05804	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74006	0.1
53.03925	0.1
61.59500	0.1
65.03929	0.2
67.01842	0.4
68.99795	1.5
69.03429	0.3
69.26562	1.3
79.05478	0.3
81.03403	0.2
93.07012	0.2
105.03378	0.6
107.04949	1.0
109.02903	0.5
111.00816	1.1
111.11671	0.2
116.16678	0.2
121.02010	0.3
121.02872	5.1
121.03773	0.2
127.03944	0.2
129.07066	0.3
133.02846	0.7
135.04408	0.6
137.02344	1.8
141.44994	0.2
145.06497	0.5
147.04408	0.9
153.01831	9.2
155.17735	0.2
157.06468	0.9
161.02310	0.3
161.06012	0.4
165.01855	2.6
171.02971	0.2
171.04385	0.4
183.02869	1.3
185.06007	0.6
189.05403	0.2
199.03879	0.2
203.07045	0.2
213.05475	2.2
229.04942	0.3
231.06532	1.0
241.04857	1.2
243.06554	0.3
258.05212	1.6
259.06097	0.6
259.30869	0.2
269.04416	0.3
287.05493	100.0
288.05762	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14724	0.2
67.01858	0.7
68.99802	1.2
69.45962	1.4
71.32782	0.2
73.77443	0.2
79.05494	0.4
89.03906	0.2
91.05505	0.2
95.05783	0.2
95.16689	0.2
98.20764	0.4
105.03382	0.3
107.04955	0.5
109.02897	0.4
111.00809	0.8
117.03365	0.2
119.08591	0.2
121.02871	3.0
128.06194	0.2
129.07025	0.2
133.02863	0.5
135.04434	2.2
137.02357	1.3
145.06558	0.3
147.04424	0.7
153.01846	8.9
157.06520	0.7
161.02350	0.6
165.01837	1.6
168.79895	0.2
171.02911	0.2
171.04373	0.4
179.03398	0.2
183.02917	0.7
185.06038	0.5
197.06065	0.2
198.67485	0.2
203.07176	0.2
203.74255	0.2
213.05447	1.6
219.06622	0.2
229.04930	0.3
231.06573	0.8
241.04939	1.4
243.06535	0.2
245.04555	0.4
258.05273	0.8
259.06012	0.6
269.04477	0.6
287.05518	100.0
288.05936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0537
Annotation	Luteolin
Peak:m/z	Relative Intensity
61.29721	0.1
67.01533	0.1
67.01865	1.2
68.99789	1.1
69.03417	0.1
70.85364	0.1
70.85693	0.1
79.05475	0.1
81.03412	0.1
81.47441	0.1
83.01382	0.1
89.03928	0.6
107.04954	0.2
109.02888	0.1
111.00785	0.2
111.04498	0.1
115.05468	0.1
117.03387	0.6
125.02374	0.1
127.03949	0.1
129.01813	0.2
129.06995	0.1
135.04416	4.0
137.02347	1.0
137.03401	0.1
139.05447	0.1
147.04430	0.1
153.01833	10.3
157.06453	0.2
161.02348	1.1
167.04916	0.1
171.02875	0.5
171.04425	0.1
173.05981	0.1
179.03423	0.5
185.05954	0.4
189.05418	0.1
195.04376	0.1
199.03839	0.1
203.03421	0.2
213.05447	0.4
217.04941	0.1
219.06520	0.2
223.03899	0.1
231.06497	0.2
241.02667	0.1
241.04961	1.3
244.03717	0.1
245.04454	0.2
259.06018	0.1
263.05563	0.1
269.04404	0.8
286.04688	0.1
287.05496	100.0
288.05811	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
50.54450	0.9
53.03943	4.7
53.90230	0.8
55.05512	9.9
57.03438	1.1
57.07057	2.2
65.03938	2.6
66.04730	1.0
67.05506	15.5
69.07069	9.0
69.72012	2.1
69.72424	3.3
71.05002	1.4
73.30621	0.8
79.05496	32.2
81.03432	2.5
81.07062	100.0
82.07420	1.3
83.04986	24.0
83.08647	4.6
85.02881	1.4
91.05489	16.2
92.51202	0.9
93.07050	30.9
95.04951	6.2
95.08612	32.0
97.06535	3.8
97.10165	3.2
98.21460	1.0
98.50597	0.8
98.98464	1.0
99.08067	1.1
103.05490	1.3
105.07040	34.7
107.08599	35.4
109.06524	2.8
109.09479	1.3
109.10163	17.3
111.08070	2.8
115.07247	0.9
117.07017	6.8
119.08593	29.5
121.06550	5.1
121.09325	1.9
121.10148	19.4
123.08076	1.1
123.11711	6.4
125.09631	1.5
128.06171	1.4
129.07039	4.3
130.07732	1.3
131.08578	16.1
133.06419	1.1
133.09142	1.0
133.10141	19.0
135.08078	4.5
135.11688	8.0
137.09648	3.0
137.13254	1.5
138.57739	1.0
141.06969	3.0
142.07762	2.7
143.08578	15.0
144.09331	2.6
145.10129	19.0
147.08028	2.1
147.11705	15.7
149.09639	5.4
149.13283	10.3
151.11261	1.9
151.14801	1.3
154.07806	1.3
155.08588	6.9
155.72748	0.8
156.09328	3.5
157.10152	12.3
158.10861	1.1
159.11696	15.9
161.09587	4.5
161.13251	10.3
163.14796	2.7
165.12717	1.0
167.08594	1.3
168.09357	1.8
169.10139	8.0
170.10930	2.2
171.11694	11.3
173.09680	1.6
173.13280	10.8
175.11171	2.8
175.14882	5.3
177.12759	2.2
177.16357	1.3
181.10089	1.1
182.10925	3.5
183.11702	8.8
184.12462	1.2
185.13258	9.3
187.11145	1.6
187.14832	7.0
189.12767	3.0
189.16403	2.8
191.14325	2.1
193.12228	1.8
193.98058	1.0
195.11748	1.3
196.12418	2.2
197.13278	8.4
198.13901	0.9
199.14827	9.0
201.12685	2.2
201.16393	7.3
203.14284	2.5
211.14836	10.4
213.16394	2.5
215.14290	3.2
215.17923	1.9
225.16302	4.8
227.17940	5.9
229.15875	5.4
230.16606	1.1
239.17905	1.8
241.19492	2.0
242.05746	7.2
243.17410	1.7
244.20537	1.7
257.19025	2.0
257.22644	8.0
267.21088	16.4
270.05249	3.3
285.07596	24.1
285.18665	2.8
285.22119	83.0
285.33551	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.03918	1.9
55.05510	9.0
57.03418	4.6
57.07073	2.7
63.00016	1.1
67.05504	14.0
68.67388	1.2
69.03414	2.2
69.07063	9.8
71.53634	1.8
79.05489	10.5
80.73165	1.2
81.03402	4.7
81.07058	30.5
83.04963	3.9
83.08596	4.8
85.02879	3.3
85.03368	1.3
85.06537	2.1
91.05484	13.9
93.06497	1.5
93.07047	24.1
95.04948	5.4
95.08064	1.7
95.08613	24.5
97.06528	2.6
97.10121	1.6
98.98482	1.5
103.05447	1.6
105.07027	25.9
107.04951	2.2
107.08591	18.3
108.75494	1.2
109.06497	3.3
109.10150	14.6
111.08096	2.1
117.06997	4.9
117.28436	1.3
119.08575	24.9
121.06482	5.3
121.10149	15.7
123.08057	4.5
123.11678	6.0
128.06126	1.7
129.06998	3.7
130.07724	1.7
131.08565	13.5
132.80991	1.3
133.06445	2.5
133.10133	17.2
135.04427	3.6
135.08032	3.4
135.11691	8.3
137.09555	1.9
139.83055	1.3
142.07767	3.3
143.08583	11.3
145.06438	1.6
145.10123	15.7
147.08055	4.3
147.11696	14.8
149.09593	2.5
149.13220	3.9
151.11092	1.6
155.08554	6.8
156.09332	4.2
157.10138	15.4
159.07964	2.4
159.11691	15.6
161.09607	4.6
161.13266	11.0
163.11166	3.6
163.14774	3.0
165.12715	2.4
167.08563	1.5
168.09370	2.4
169.10092	8.1
170.10910	1.5
171.11671	9.8
173.09586	3.5
173.13260	12.3
175.11198	7.9
175.14789	6.6
177.12752	4.8
182.10822	2.7
183.11732	7.0
185.13252	7.3
187.11145	1.6
187.14790	6.7
189.12704	4.6
191.14227	3.0
193.12257	4.8
195.11603	1.6
197.13286	7.9
199.14755	4.2
201.12720	5.1
201.16359	3.9
203.14294	4.3
204.85022	1.3
211.13284	2.1
211.14813	11.2
212.15573	1.3
213.16389	3.6
215.14236	3.9
215.17867	1.3
225.16377	4.9
227.17873	5.3
229.15886	11.9
239.17868	2.0
241.19452	2.8
242.05777	8.2
243.17390	1.8
243.20973	2.6
257.04565	1.4
257.22604	4.7
267.21097	29.6
270.05243	4.9
285.04449	1.0
285.07571	35.6
285.17023	4.2
285.22098	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.03929	1.7
55.05518	8.6
57.03424	3.2
57.07066	2.8
59.27407	0.8
61.12074	1.0
65.03902	0.8
67.05507	11.8
69.03420	1.6
69.07066	8.8
69.87496	0.9
71.04990	1.1
79.05502	12.8
81.03430	4.5
81.06594	1.8
81.07062	31.3
83.04980	8.4
83.08632	7.7
85.02914	2.7
85.06530	1.3
90.37364	0.8
91.05484	12.4
93.07055	17.3
95.04971	3.6
95.08616	17.3
97.06514	2.6
97.10137	1.4
99.08107	1.5
105.06391	1.7
105.07037	18.6
107.08607	18.3
109.06530	4.4
109.10168	10.0
111.08070	3.9
113.06017	0.9
117.07014	3.5
119.08594	18.6
121.06551	2.4
121.10156	13.4
123.08080	4.6
123.11710	7.9
125.09573	1.6
129.07002	2.6
131.08578	10.4
133.10127	11.1
134.87495	0.8
135.08069	19.6
135.11723	7.5
137.09610	3.1
137.13234	1.7
139.11182	1.4
141.06955	1.1
143.08571	3.4
144.09370	1.1
145.10138	13.7
147.08051	1.9
147.11700	20.7
149.09615	7.2
149.13242	4.5
151.11125	1.2
155.08583	2.5
156.09329	1.8
157.10132	8.6
159.08032	2.3
159.11697	11.5
161.09641	3.1
161.13210	4.9
163.11205	2.2
165.12822	5.9
169.10129	3.3
171.11703	6.3
173.09692	1.7
173.13309	6.1
175.11215	5.7
175.14835	4.9
177.12721	3.5
183.11690	3.4
185.13275	5.4
187.11130	3.3
187.14819	8.2
189.12752	2.8
191.14355	1.9
193.12228	4.9
197.13319	5.0
199.14795	2.8
201.12709	3.5
201.16428	6.2
203.14359	2.1
205.15793	1.0
209.13258	1.1
210.14032	1.1
211.13245	2.7
211.15010	4.6
213.12837	0.9
213.16370	6.3
215.14325	3.5
215.17989	2.4
225.16400	2.8
227.17963	4.0
229.15999	7.2
239.17989	1.3
241.19487	2.4
242.05754	9.7
243.17455	6.2
243.21054	3.4
252.18880	1.1
257.18951	1.5
257.22720	6.6
267.15805	1.6
267.21112	13.5
270.05228	4.8
285.07617	26.3
285.10703	1.6
285.17407	11.8
285.22131	100.0
285.33420	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	285.2214
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
50.48654	0.7
53.03952	2.6
53.96848	0.7
55.05513	8.1
57.03450	1.1
57.07075	2.4
65.03934	1.0
67.05508	10.8
69.03423	1.4
69.07069	6.3
71.04987	1.4
71.39216	1.1
74.79079	0.7
77.03990	1.0
79.05498	29.5
81.03438	0.9
81.07059	100.0
83.04983	17.9
83.08624	3.5
85.06557	0.8
91.05484	12.6
93.07050	20.7
95.04970	3.5
95.08613	20.9
97.06544	2.2
104.43050	0.7
105.04546	1.1
105.07037	28.3
107.04995	1.3
107.08598	19.8
109.06542	3.4
109.10169	12.7
111.08125	0.9
115.05470	1.1
117.07020	4.4
119.06042	0.9
119.08588	19.7
121.06511	12.8
121.10157	11.9
123.08088	2.9
123.11732	5.5
125.09663	0.9
128.06207	2.1
129.06998	4.9
130.07753	1.1
131.08563	12.4
133.10143	14.5
135.08054	5.4
135.11693	5.1
137.09612	1.1
137.13210	1.2
141.07039	1.2
142.07777	2.6
143.08562	8.9
144.09340	1.1
145.06454	0.8
145.10126	16.5
147.08064	3.7
147.11696	12.4
149.09619	3.3
149.13268	4.8
151.11200	0.9
151.14778	1.1
155.08540	4.4
156.09340	1.7
157.10138	9.8
159.08096	0.8
159.11700	11.6
161.09589	2.7
161.13257	7.1
163.11134	1.0
163.14824	2.5
165.12738	1.2
166.50865	0.6
168.09346	1.3
169.10167	6.1
170.10857	0.9
171.11711	9.6
173.09650	1.8
173.13264	7.5
175.11230	2.4
175.14859	4.5
177.12732	1.4
177.16385	1.4
183.11665	5.2
185.13257	6.6
187.11156	2.7
187.14824	5.5
189.12747	1.9
189.16460	1.6
191.14299	1.0
196.12486	1.1
197.13257	5.5
199.14871	4.9
201.12735	1.3
201.16438	4.2
203.14330	1.5
209.09198	0.7
209.13286	1.0
211.14847	5.9
212.15500	1.0
213.16376	1.9
215.14365	1.7
215.18033	1.0
217.15703	0.9
223.14777	0.9
224.15657	0.9
225.16391	3.2
227.17944	9.9
229.15945	4.3
238.17142	0.7
239.17921	1.5
241.19521	4.6
242.05792	1.0
243.17546	1.0
243.21040	2.0
257.22580	3.4
267.21097	12.8
285.07605	3.8
285.17072	1.6
285.22134	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2212
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05516	17.6
57.07064	5.2
67.05505	23.5
69.03451	3.8
69.07071	57.4
70.12075	2.7
71.04991	10.7
79.05492	18.6
81.03413	3.3
81.07059	37.5
83.04987	3.8
83.08623	12.2
85.02949	3.0
86.18166	2.6
91.05495	28.0
93.07041	32.5
95.04985	13.4
95.08613	45.2
97.06525	24.6
97.10162	6.9
99.08113	3.4
103.05460	2.8
105.07034	69.6
106.30618	2.6
107.08596	40.2
109.06512	28.4
109.10162	31.9
111.08070	13.4
111.11719	4.1
117.07033	5.7
119.08586	88.8
121.06536	8.7
121.10139	33.4
123.08081	9.1
123.11730	14.7
128.06209	3.0
131.08554	10.7
131.43500	2.8
133.10135	52.8
133.97606	2.6
135.08047	14.3
135.11685	17.3
137.09645	6.1
142.07762	5.5
142.67448	2.8
143.08533	4.2
145.10123	19.3
146.07288	6.5
147.08095	5.9
147.11684	24.3
148.12300	2.9
155.08601	3.1
157.10146	9.6
159.11736	9.6
161.09619	100.0
161.13252	6.4
169.10187	9.9
171.11707	8.1
173.13298	5.5
175.11217	5.5
175.14819	63.8
175.16290	4.0
177.16354	8.0
183.11729	9.1
185.13295	12.4
187.14784	5.2
193.12288	3.6
193.15953	11.9
197.13293	11.0
201.16388	2.8
211.14810	9.7
215.17906	3.6
242.05771	13.6
267.21030	10.5
270.05344	7.9
285.07568	48.6
285.22034	24.8
285.29419	3.2
285.33316	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	285.2212
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
52.99707	1.1
53.03936	5.4
55.05510	6.2
57.07071	1.4
65.03925	1.9
67.05506	8.0
69.07058	3.8
77.78758	1.0
79.05493	26.7
81.07059	100.0
83.04987	19.0
83.08602	2.2
85.25735	1.1
86.69897	1.2
91.05476	9.4
93.07051	15.5
95.04967	5.5
95.08619	18.4
97.06522	1.3
105.07038	21.0
107.04975	1.4
107.08596	17.1
109.06521	2.2
109.10156	7.1
117.07002	4.7
119.08598	14.6
121.06524	2.9
121.10150	10.2
123.08128	1.4
123.11732	2.3
127.94927	1.2
128.06206	2.0
129.07008	4.7
131.08582	11.9
133.10153	9.6
135.11700	4.6
142.07816	2.6
143.08554	8.3
145.10136	17.4
147.11696	8.5
149.09636	1.4
149.13242	2.6
155.08589	3.6
156.09430	1.5
157.10132	8.2
159.11694	12.6
161.09671	2.0
161.13258	4.9
163.14777	2.3
169.10146	4.9
170.10986	1.3
171.11693	7.9
172.12645	1.4
173.13324	7.2
175.14812	5.4
183.11700	4.5
185.13277	5.8
187.14838	6.1
189.12830	1.6
191.14383	1.9
197.13281	4.3
199.14819	4.6
201.16405	4.6
203.14244	1.5
211.14761	5.9
215.14296	2.2
217.05614	1.4
225.16389	4.1
227.17944	8.9
229.15939	2.6
239.18073	1.8
241.19524	2.0
257.22601	4.4
267.21106	15.7
285.22128	54.2
285.25302	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.03936	5.3
55.05504	9.9
55.36364	1.3
57.03405	1.4
57.07073	2.2
65.03934	1.8
66.04741	1.5
66.69600	1.3
67.05510	12.4
69.07059	7.5
70.78349	3.5
72.29951	1.2
79.05070	2.4
79.05497	28.9
81.03400	2.8
81.07061	100.0
83.04984	20.9
83.08614	4.9
85.02874	1.7
86.47768	1.3
91.05479	14.6
93.07045	21.3
95.04967	3.3
95.08612	26.7
95.96314	1.1
97.06512	2.0
97.10136	3.5
105.07035	32.8
107.08594	25.6
109.06494	3.9
109.10157	12.4
111.08053	2.9
117.07012	5.6
119.08584	23.8
121.06487	3.5
121.10154	12.9
123.11710	5.5
128.06252	2.3
129.07008	5.3
131.08572	17.1
133.10139	17.4
135.08055	4.2
135.11688	5.7
137.09634	2.8
141.07010	2.5
142.07768	2.4
143.08575	14.6
144.09319	1.5
145.10126	21.6
147.08040	1.5
147.11697	10.7
149.09633	5.6
149.13281	8.1
155.08548	6.0
156.09302	2.1
157.10127	12.0
159.11719	16.2
161.09656	2.9
161.13274	10.3
163.11234	2.5
163.14799	1.9
168.09311	2.0
169.10149	8.7
171.11696	10.7
173.13266	10.7
175.11182	2.0
175.14850	6.3
177.12827	1.6
182.10947	3.0
183.11696	10.4
185.13174	6.7
187.14818	7.6
189.12709	2.1
193.12392	1.3
195.11649	1.5
197.13274	9.1
199.14790	6.8
201.12740	3.4
201.16406	8.6
203.14275	2.1
211.14828	11.2
213.16431	3.3
215.14348	3.0
215.17863	2.3
225.16449	6.6
227.17946	10.0
229.15883	3.7
229.19518	2.5
239.17995	4.0
241.19475	3.5
257.20099	1.2
257.22531	7.5
267.21066	19.9
285.07623	6.2
285.22128	81.0
296.84583	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Hysterone D
Peak:m/z	Relative Intensity
50.01391	1.5
51.89820	1.5
52.67260	1.5
53.03938	4.4
55.01871	3.9
55.05515	27.9
57.03439	49.6
57.46141	1.5
62.05972	1.4
67.05177	2.5
67.05508	31.7
69.03419	6.1
69.07057	11.5
69.20890	12.9
70.45748	1.6
71.05005	10.9
71.35057	1.3
79.05498	30.3
81.03419	83.4
81.06597	2.5
81.07059	40.7
83.04985	14.5
83.08154	2.2
83.08624	33.6
85.02907	78.8
85.06528	3.6
91.05484	39.1
93.07050	23.1
95.04971	36.9
95.08614	16.5
97.02885	2.7
97.06536	5.4
97.10139	3.6
105.06396	2.7
105.07034	33.1
107.04930	6.4
107.08608	11.6
109.06514	6.3
109.10172	8.0
111.04428	3.9
111.08089	19.0
113.05988	5.5
119.08585	24.8
121.06512	2.4
121.10141	16.8
123.08054	4.9
123.11701	4.3
125.09646	1.7
129.07011	11.6
129.58830	1.4
131.08578	15.3
133.06509	3.4
133.10120	14.7
137.09599	2.1
142.07764	4.1
147.08063	3.4
147.11700	28.5
149.09628	8.4
157.10132	19.8
157.11382	2.6
165.12759	6.6
175.11200	22.2
193.12251	99.1
211.13287	84.0
242.05730	2.7
267.15906	4.5
285.07611	13.7
285.16953	100.0
285.21954	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01868	3.0
55.05512	10.2
56.84681	1.2
57.03438	11.7
59.04992	1.2
60.23589	1.1
61.02938	2.2
62.79620	1.1
64.92667	1.1
67.05506	17.0
68.99789	2.1
69.03433	5.4
69.07057	6.0
69.37569	8.1
71.04995	5.8
79.05493	14.4
79.37612	1.1
81.03419	100.0
81.07058	18.2
83.04997	9.0
83.08615	21.0
83.55479	1.2
85.02908	14.3
85.06560	1.5
87.04467	2.3
91.05482	18.2
93.07051	10.6
95.04971	29.0
95.08607	7.9
97.02889	7.3
97.06551	4.5
99.08102	1.2
103.05511	1.3
105.07034	15.0
107.04946	6.6
107.08600	8.2
109.06530	8.9
109.10157	4.3
111.04466	2.7
111.08094	12.2
113.05987	2.2
115.05463	1.2
117.06998	1.7
119.08588	13.2
121.06532	2.5
121.10149	6.9
121.23360	1.1
123.08086	7.5
123.11670	1.9
125.09633	1.4
129.07027	9.3
131.08578	7.5
133.06494	3.1
133.10150	6.0
135.11757	1.4
137.02409	1.4
137.09651	2.6
139.11162	1.1
142.07832	2.5
145.06470	1.6
145.10162	1.6
147.08061	3.9
147.11700	10.9
149.09608	5.4
150.05492	1.6
151.11163	1.2
153.12735	2.4
155.04909	1.9
157.10141	12.0
163.11235	2.7
165.01802	1.5
165.12744	3.2
167.84666	1.2
173.06015	1.5
175.11198	14.1
177.12775	4.0
179.10683	1.5
187.03944	1.4
193.12248	62.4
193.25955	1.2
195.13800	2.8
201.05499	4.7
211.13283	14.8
229.04950	10.2
229.14294	1.3
231.13927	1.9
242.05785	2.9
249.14819	2.0
257.04501	8.9
267.15912	21.2
285.03955	37.7
285.07526	9.0
285.16989	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	285.1697
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
51.46951	0.6
53.03946	1.5
55.01874	1.4
55.05515	15.7
57.03441	19.4
59.04997	0.8
67.05506	33.1
69.07071	17.8
70.18596	1.4
70.18977	1.3
71.04999	7.2
79.05495	16.2
81.03404	2.2
81.07060	100.0
83.04992	7.0
83.08619	9.6
85.02917	1.7
85.06554	6.8
87.04468	1.0
87.26893	0.7
91.05484	24.8
93.06490	0.9
93.07052	14.2
95.04980	3.6
95.08611	22.5
97.06541	8.5
97.10179	1.1
99.08124	4.9
101.06026	1.6
105.07037	39.7
107.04997	1.1
107.08604	13.5
109.06529	5.0
109.10153	2.4
111.08094	1.4
113.06007	1.3
115.07611	0.7
117.07021	0.8
119.08588	29.6
121.10147	22.3
123.08089	4.8
123.11716	31.6
127.07563	4.2
129.07008	3.2
131.08588	1.6
133.10130	4.3
134.03682	1.1
137.02339	2.9
137.09622	0.9
137.13243	2.7
141.09146	0.8
145.10091	2.5
147.11697	78.2
148.12119	0.8
149.09676	1.2
149.13332	1.2
153.23798	0.8
157.10136	4.0
159.11713	0.9
165.12762	44.9
169.06494	0.8
170.52046	0.7
173.13434	0.8
175.11166	4.5
181.27899	0.9
183.13823	5.3
193.12231	5.0
206.51808	0.7
211.13354	2.1
213.05496	1.5
225.05420	3.0
229.14404	7.2
242.05681	2.4
253.04956	2.7
257.58365	0.8
267.15924	6.5
269.04474	3.0
270.05273	4.3
285.07611	23.5
285.16959	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
54.70692	1.4
55.01856	2.2
55.05515	17.0
57.03446	20.3
61.13039	1.5
63.00037	1.9
67.05186	2.3
67.05511	35.1
69.03419	2.5
69.06727	1.9
69.07069	20.2
70.03791	1.5
70.86124	2.7
71.04998	7.1
79.05084	2.2
79.05502	17.3
81.03404	4.8
81.07062	100.0
83.04982	8.7
83.08611	10.8
85.02905	2.7
85.06532	7.0
91.05494	28.5
93.06486	1.9
93.07042	17.1
95.04968	2.8
95.08614	23.8
97.06543	8.5
98.97530	2.3
99.08079	5.2
101.05984	2.7
105.07040	40.3
107.08580	17.3
109.06525	5.9
109.10152	4.5
111.08067	2.0
113.06006	2.2
117.07065	1.7
118.06875	1.6
119.08598	31.5
121.10145	23.6
123.08061	4.5
123.11718	35.4
124.71391	1.4
127.07541	2.2
129.06992	2.5
131.08597	3.9
133.06494	1.5
133.10130	7.9
135.11732	1.9
137.13269	3.0
142.07690	1.5
143.08615	3.2
145.10152	2.5
147.11702	79.7
153.57240	1.5
157.10112	6.2
165.12764	50.4
175.11197	5.2
183.11659	1.6
183.13765	6.4
193.12247	10.5
203.03342	8.8
203.17972	1.5
211.13206	3.2
229.05055	6.4
229.14288	9.6
242.05783	5.9
257.04480	32.8
267.15884	6.2
270.05225	4.2
285.07645	25.7
285.12061	2.8
285.16965	75.7
285.22073	5.4
291.04022	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03943	1.7
55.01879	1.3
55.05516	18.1
57.03440	21.7
65.03954	1.3
67.05508	34.3
69.00143	0.8
69.07072	24.0
70.20201	4.2
71.04993	7.2
79.05073	1.3
79.05499	19.1
81.07061	100.0
83.04993	7.4
83.08633	9.3
84.96317	0.9
85.06547	8.6
91.05487	21.9
93.07053	12.0
93.18316	0.8
95.04977	2.3
95.07993	1.1
95.08611	21.6
97.06538	9.1
97.10163	1.5
99.04488	0.9
99.08089	6.0
101.06025	2.0
105.07042	39.3
107.08605	12.8
109.06531	7.7
109.10162	2.8
113.05998	1.5
119.08588	29.3
121.09333	1.4
121.10159	21.9
123.08094	5.5
123.10830	2.0
123.11718	36.0
127.07607	3.6
129.07028	2.2
131.08533	1.1
133.10176	2.6
137.13258	2.8
142.07864	1.0
147.11693	86.8
157.10138	2.9
160.87756	1.0
165.12769	46.7
175.11174	4.7
183.13812	5.8
189.61731	1.0
193.12282	4.5
211.13327	1.1
229.14343	8.8
242.05881	2.4
267.15924	5.8
270.05286	3.1
285.07684	7.2
285.16992	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
52.88140	0.7
53.03952	1.2
55.01876	1.6
55.05514	16.0
57.03436	21.7
65.03944	1.8
66.14619	0.6
67.05506	30.5
68.75913	0.6
69.03408	1.5
69.07068	18.6
69.56188	3.7
71.04990	7.3
72.45577	0.7
73.06567	0.6
77.65815	0.7
78.33767	0.6
79.05494	18.8
81.03426	7.3
81.07059	100.0
83.04984	9.2
83.08624	9.2
84.32701	0.7
85.02892	1.8
85.06538	6.5
86.49570	0.6
91.05484	23.5
93.07042	10.4
95.04976	5.1
95.07995	0.8
95.08154	0.4
95.08607	19.6
97.06536	7.3
97.10185	1.9
99.08096	5.4
101.06030	2.1
105.07035	37.6
107.04891	0.8
107.08600	12.6
109.06520	5.9
109.10164	2.5
111.08086	2.4
113.06061	1.6
117.07011	1.3
119.08585	28.0
121.06563	0.9
121.10148	19.4
123.08086	3.4
123.11711	28.8
127.07565	2.9
129.07018	3.3
130.06522	1.8
131.08572	2.0
133.06496	0.7
133.10147	3.1
137.09612	1.1
137.13240	3.4
141.09106	0.8
142.07840	0.8
144.08076	1.4
145.10095	1.9
147.11691	74.8
149.09641	1.5
156.08096	0.8
157.10121	4.0
163.03967	1.0
165.01930	0.7
165.12759	43.2
167.07326	1.2
168.08105	6.2
175.11191	4.5
180.08115	6.3
183.13799	5.2
191.03427	5.7
193.12231	6.8
194.09662	1.7
208.11253	2.8
211.13251	1.4
212.14313	0.7
222.12808	2.3
229.14351	8.2
242.05711	1.5
267.15921	6.3
268.13327	13.2
285.04218	1.1
285.07605	4.7
285.16977	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.17
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
51.62844	0.5
53.03954	1.7
55.01873	2.3
55.05520	15.9
57.03446	23.3
57.07075	0.7
59.05005	0.8
61.11725	0.7
65.03947	1.3
67.05511	34.7
69.03436	1.3
69.07076	18.0
70.81651	0.5
70.81978	1.0
71.05011	6.9
73.06532	0.7
77.03944	0.8
79.05503	20.8
81.02940	0.7
81.03428	16.3
81.07067	100.0
83.04992	8.6
83.08630	12.7
85.02921	3.4
85.06553	7.6
87.04472	1.2
91.05489	28.8
93.07055	14.0
95.04985	7.3
95.08620	20.7
97.06539	8.0
97.10162	1.5
98.21358	0.7
99.08106	4.3
101.06007	1.2
105.07043	37.2
107.04964	1.6
107.08607	13.4
109.06532	6.3
109.10148	2.7
111.04477	0.8
111.08115	3.6
112.59887	0.5
113.06023	1.6
115.07533	0.7
117.07046	1.0
119.08596	29.8
121.10165	20.2
123.08112	4.9
123.11719	32.6
127.07568	2.5
128.84348	0.5
129.07013	3.2
131.08563	2.3
133.10170	3.5
135.11702	0.9
137.09630	1.0
137.13242	3.0
141.09067	1.3
142.07785	1.0
145.10132	1.2
147.11705	80.1
149.09641	1.9
157.10124	5.3
165.12776	47.6
175.11192	7.1
183.13835	6.5
185.96661	0.6
193.12262	16.4
193.13875	1.1
203.17812	0.6
211.13306	5.4
229.14368	9.2
242.05766	1.1
244.99950	0.5
267.15967	9.2
283.20886	0.6
285.07901	2.6
285.16992	80.5
286.17316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03956	2.2
55.01870	2.2
55.05279	1.4
55.05519	17.7
56.48234	1.2
57.03202	2.0
57.03444	22.9
58.60292	1.2
64.95544	1.3
66.01874	1.3
66.87043	1.3
67.05509	36.0
69.03440	1.7
69.07074	19.7
69.43760	1.4
70.58037	1.4
70.58337	2.8
71.04989	8.7
79.05502	21.4
79.08612	1.4
81.03426	38.6
81.07063	100.0
83.04984	6.8
83.08627	18.3
84.03074	1.2
85.02901	2.2
85.06534	9.2
91.05493	29.6
93.07053	16.9
95.04976	12.4
95.08610	22.5
97.06550	8.0
97.83505	1.3
99.08112	4.0
101.05988	1.7
105.07039	36.8
107.04973	2.3
107.08606	15.5
109.06502	6.9
109.10149	4.2
111.08080	4.4
113.05997	1.4
115.07564	1.6
119.08591	30.4
121.10153	22.0
123.08115	6.1
123.11719	32.5
127.07556	3.5
129.06985	5.0
131.08549	3.7
133.06435	2.3
133.10126	4.3
137.09550	1.6
137.13292	2.0
140.67624	1.4
141.09094	2.1
142.07674	1.6
144.01094	1.2
145.10098	1.7
147.08005	2.0
147.11699	75.2
149.09618	3.9
157.10147	6.3
165.12759	44.4
175.11206	7.7
183.13817	7.3
191.03413	2.6
193.12270	26.1
206.83562	1.5
211.13239	3.7
221.06029	2.0
225.09009	2.1
229.14345	7.8
242.05923	1.5
253.08604	2.6
267.15973	13.4
285.04465	1.5
285.07645	8.6
285.11566	2.6
285.16998	77.1
298.95279	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
52.44582	0.9
53.03938	4.1
55.01871	2.6
55.05520	9.0
55.89606	1.0
57.03445	13.6
65.03970	1.3
66.27087	0.9
67.05512	13.7
69.03407	3.5
69.07063	4.1
70.72311	3.0
71.04993	4.2
74.51488	0.9
79.05083	1.1
79.05502	15.1
81.03425	100.0
81.07065	18.4
83.04978	7.5
83.08157	1.8
83.08627	25.6
85.02909	23.6
89.56512	0.9
91.05487	19.0
93.07056	11.9
95.04375	1.6
95.04977	29.3
95.08597	5.1
95.12719	0.9
97.02884	3.6
97.06531	3.0
97.10210	1.8
99.08115	0.9
105.07048	15.1
107.04970	7.3
107.08598	5.6
109.06538	3.5
109.10169	2.6
111.04451	3.0
111.08089	11.8
113.06009	1.9
117.06995	1.2
119.04981	1.6
119.08598	13.4
121.06515	1.2
121.10174	6.6
123.08035	1.8
129.07036	10.7
131.08578	10.4
133.06511	2.4
133.10144	5.9
137.09663	1.3
142.07750	2.1
147.08078	2.6
147.11702	15.5
149.09631	6.2
153.01910	1.4
157.10139	12.5
165.12813	4.9
175.11197	15.7
193.12259	73.2
211.13297	23.6
229.14326	2.2
258.05273	4.5
258.64926	1.1
267.15927	15.7
283.32675	1.0
285.03909	3.0
285.07635	2.3
285.16965	32.2
286.04761	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	285.1699
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03941	3.1
55.01865	4.2
55.05519	21.2
57.03444	42.3
57.07073	2.2
58.12353	1.0
65.03959	2.7
67.05511	35.0
69.03424	4.0
69.07076	9.5
70.58575	3.0
71.05009	7.8
79.05506	35.6
81.03427	85.5
81.07068	41.2
83.04994	18.1
83.08158	1.6
83.08630	31.4
85.02915	65.7
85.06550	3.2
91.05490	41.0
93.07059	24.8
95.04373	2.1
95.04983	41.7
95.08617	20.3
97.02894	4.3
97.06538	6.4
97.10152	3.5
99.08072	1.5
104.53490	0.9
105.07039	30.8
107.04974	7.0
107.08609	11.9
109.06528	6.6
109.10141	4.5
111.04418	3.6
111.07394	1.5
111.08096	19.1
113.06032	5.7
115.05423	2.4
117.07035	1.4
119.08593	25.5
121.06495	1.5
121.10149	15.1
123.08062	5.0
123.11706	2.9
125.09638	1.9
127.07526	1.2
129.07022	14.0
131.08591	14.4
133.06493	3.9
133.10158	17.0
135.11685	1.0
137.09618	2.5
142.07794	2.9
145.10069	2.2
147.08133	4.9
147.11699	23.2
149.09627	8.1
151.11232	1.5
157.10152	17.6
163.11162	1.3
165.12779	5.3
175.09766	2.0
175.11201	23.9
193.12268	89.6
211.13322	57.7
229.14372	1.8
242.05792	1.8
267.15933	10.8
285.03958	5.2
285.07608	5.1
285.16989	100.0
297.40079	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.17
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.51553	1.6
53.03956	3.7
55.01867	6.2
55.05518	23.8
57.03444	45.3
65.03949	1.5
67.05182	2.9
67.05514	41.9
67.19110	1.7
69.03423	5.5
69.06783	1.5
69.07076	15.7
69.54228	11.0
71.04997	11.1
79.05503	32.1
81.03428	76.0
81.07065	59.1
83.04993	19.1
83.08629	32.2
85.02915	58.2
85.06535	2.3
91.05491	52.2
91.24599	1.6
93.07059	25.3
95.04981	35.0
95.08619	22.4
95.85009	1.6
97.02911	3.4
97.06551	9.1
97.10162	3.2
98.20762	3.2
99.04465	2.2
99.08098	3.1
105.07049	39.4
107.04982	9.0
107.08604	15.1
109.06541	8.9
109.10157	5.4
111.04443	5.7
111.08089	14.4
113.06020	6.6
119.08600	37.9
121.10153	18.3
123.08071	6.2
123.11715	10.4
125.09647	1.9
127.07533	1.8
129.07033	14.5
131.08559	12.7
133.06488	4.1
133.10150	17.2
135.11687	2.2
137.09691	1.7
142.07791	3.5
145.10109	2.1
147.08128	2.9
147.11716	38.0
149.09651	8.6
151.11130	1.8
153.01888	3.8
157.10138	20.4
161.09694	1.7
165.12772	16.1
175.11194	22.3
193.12262	73.1
211.13327	48.6
229.05029	8.3
229.14459	2.4
242.05836	3.3
244.16789	2.2
253.08589	2.5
257.04532	4.2
258.05283	20.9
262.22607	1.6
267.15982	10.0
285.04047	7.4
285.07596	18.7
285.16995	100.0
286.04755	31.8
289.63461	1.7
303.05099	3.6
308.17575	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03938	4.6
55.01879	3.1
55.05511	25.8
57.03442	48.7
57.07062	1.8
60.00233	1.4
60.08133	1.7
65.03947	2.3
67.05180	2.7
67.05508	40.5
69.03419	6.2
69.07085	11.5
71.04987	6.5
79.05072	3.1
79.05498	39.7
81.03422	89.3
81.07060	58.0
83.04985	22.6
83.08624	35.4
85.02908	79.1
85.06520	3.5
91.05483	49.8
93.07047	30.8
95.04971	36.9
95.08599	24.4
97.02898	3.5
97.06533	9.7
97.10152	5.1
99.08089	2.8
105.07040	39.7
107.04954	8.7
107.08609	17.9
109.06491	9.2
109.10171	9.9
111.04426	3.9
111.08096	19.7
113.06012	6.8
116.27813	1.5
117.07024	4.3
119.07803	2.8
119.08588	32.3
121.06516	4.9
121.10150	19.7
123.08088	4.9
123.11725	5.5
129.07027	17.8
131.08578	17.1
133.06487	4.4
133.10121	18.5
135.08041	3.9
135.11665	2.7
137.09633	3.3
142.07753	4.8
145.10144	5.0
147.08095	3.9
147.11699	28.9
149.09665	8.7
149.13188	1.9
157.10132	20.8
159.11665	3.4
163.11082	2.0
165.12787	9.0
171.11714	1.8
175.11189	26.4
193.12254	99.6
201.16362	1.9
211.13280	81.5
241.19487	2.3
242.05687	13.1
267.15875	5.4
267.21036	6.3
270.05292	6.1
284.32678	1.9
285.07620	39.0
285.16974	100.0
285.21848	23.7
285.33481	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	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03938	5.2
55.01869	3.3
55.05514	25.6
55.07743	1.2
57.03442	44.5
57.07081	2.0
57.74755	1.3
59.04988	2.1
67.05508	40.1
69.03424	6.1
69.07061	7.9
71.04987	8.7
79.05501	38.3
81.02928	2.8
81.03423	76.5
81.07059	52.8
83.04988	19.5
83.08624	34.8
85.02910	83.2
85.06533	3.2
89.99276	1.3
91.05487	47.1
93.07045	23.5
95.04975	36.9
95.08615	19.1
97.02898	3.4
97.06540	7.6
97.10182	4.2
102.43945	1.4
105.07039	36.7
107.04970	8.0
107.08590	13.3
109.06545	8.7
109.10171	5.9
111.04435	3.6
111.08090	18.7
113.05975	6.4
115.05479	2.1
117.07017	2.2
119.08585	31.9
121.06532	1.8
121.10147	16.3
123.08083	4.6
123.11708	2.7
129.07019	12.9
131.08577	17.1
133.06468	5.0
133.10149	16.8
137.09639	2.6
142.07744	3.0
145.10075	4.2
147.08060	3.8
147.11676	25.8
149.09605	9.5
151.47487	1.4
157.10139	21.7
165.12756	8.6
173.31998	1.5
175.11197	29.2
193.12260	94.1
211.13292	82.7
242.05685	7.7
267.15857	2.4
267.21109	1.6
270.05142	2.7
285.07623	27.1
285.16974	100.0
285.22067	5.2
285.29922	1.5
285.33276	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
51.32283	1.2
53.03942	3.8
55.01865	4.0
55.05517	23.9
57.03442	50.6
57.07058	2.5
59.05001	2.0
60.23809	1.1
65.03929	1.4
67.05509	37.8
69.03422	3.7
69.07074	10.6
69.28796	6.5
69.29226	3.5
71.04999	10.7
77.03909	1.1
79.05500	37.5
81.03426	81.9
81.07063	55.0
82.07357	1.2
83.04987	21.6
83.08626	35.4
85.02910	83.6
85.06545	2.8
91.05489	48.8
93.07053	25.1
93.07619	1.3
95.04976	41.2
95.08619	21.1
97.02882	3.9
97.06535	6.2
97.10149	2.8
98.20730	1.4
99.04453	1.5
99.08122	2.3
105.07040	37.4
105.07774	1.9
107.04959	6.3
107.08597	13.9
109.06541	9.4
109.10147	6.4
111.04451	4.3
111.08096	20.9
113.06009	6.7
115.05478	2.6
117.07022	2.8
119.04937	1.3
119.08595	32.3
121.06534	2.0
121.10147	16.5
123.08080	5.1
123.11710	5.6
127.07523	2.4
129.07024	13.4
131.08575	17.4
131.97842	1.1
133.06502	3.1
133.10152	15.8
137.09590	4.1
137.13290	1.3
142.07741	3.7
143.08540	1.9
145.10127	3.4
147.08055	4.6
147.11691	27.1
149.09604	10.6
157.08977	1.6
157.10155	23.2
157.11453	1.2
159.11732	1.9
163.11215	3.1
165.12752	6.2
169.10207	1.5
175.11208	26.4
193.12265	92.5
211.13304	74.5
222.96696	1.3
236.97275	1.1
242.05817	7.7
242.07916	1.3
267.15790	2.1
267.21286	1.4
270.05151	3.4
285.07632	29.3
285.16977	100.0
285.21542	9.6
285.33249	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01871	2.9
55.05519	9.4
55.60644	0.8
57.03438	8.5
57.07064	3.6
59.63783	0.9
65.03946	1.1
67.05511	13.8
69.03429	1.8
69.07069	7.7
69.42022	0.8
70.06584	1.0
71.04993	3.8
71.19666	1.0
74.02440	1.8
79.05493	15.2
81.03424	27.3
81.07060	43.3
83.04979	3.8
83.08626	8.2
85.02930	2.7
85.06563	2.6
91.05485	15.1
93.07047	8.2
95.04972	10.2
95.08615	10.2
97.02900	0.9
97.06540	3.4
97.10149	1.1
99.04464	1.0
99.08096	2.1
100.11265	1.2
101.05939	1.0
105.07025	18.0
107.04956	4.5
107.08595	6.5
109.06534	4.1
109.10161	3.9
111.08087	5.3
113.05998	1.2
117.05737	0.9
117.07024	1.3
118.06546	2.0
119.04994	1.1
119.08594	13.5
121.02863	2.1
121.06476	1.8
121.10152	8.2
123.08063	2.6
123.11737	8.6
127.03939	1.5
127.07578	1.2
128.06166	1.2
129.07025	5.3
130.06522	16.3
131.08569	3.8
132.08075	2.0
133.06514	2.2
133.10150	2.9
135.04443	2.4
137.09671	1.3
137.13203	1.0
143.07288	1.0
143.08620	1.0
144.08090	12.2
145.10164	2.8
146.06007	5.3
147.08044	1.0
147.11694	24.2
149.09634	2.3
153.02029	1.2
154.06548	2.5
155.07329	2.5
156.08060	3.3
157.08984	1.1
157.10080	5.1
158.27644	1.0
159.11658	1.6
163.03935	3.6
163.11131	1.2
165.01854	1.6
165.12735	10.6
167.07323	10.1
168.06641	2.2
168.08093	45.4
169.08882	3.0
170.09706	1.6
170.53505	0.9
171.11726	1.0
175.07504	1.0
175.11171	4.9
180.08087	51.4
181.05235	0.9
181.08858	2.8
182.09615	5.4
183.02864	1.4
183.10480	1.3
188.07018	4.3
191.03407	20.4
192.08093	1.7
193.06354	1.8
193.07184	1.0
193.08868	8.5
193.12248	17.7
194.06004	1.4
194.09639	9.6
196.11388	1.1
198.12787	1.1
207.10358	2.8
208.07578	1.7
208.11220	24.6
209.11858	1.7
210.12801	2.2
211.13222	4.4
212.07133	2.5
212.14383	5.9
213.07903	3.5
216.09097	1.3
221.08269	1.0
222.12788	20.9
224.14380	2.2
225.09201	1.2
226.08714	1.5
229.14290	2.2
239.06981	1.1
240.13779	0.9
242.05754	5.0
243.06587	4.4
250.12331	4.8
253.08655	2.2
267.15900	4.2
268.13324	100.0
269.13626	1.0
270.05328	2.2
285.03943	5.7
285.07611	23.1
285.11322	2.9
285.16653	20.5
285.21774	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	285.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.01865	3.9
55.05509	3.5
57.03433	7.4
61.49054	1.6
63.00027	2.0
67.05504	7.1
69.03423	4.4
69.07059	4.5
70.06576	6.1
71.04977	3.5
71.52631	1.5
75.04475	2.5
79.05492	10.1
81.03419	20.4
81.07057	9.2
83.04973	3.6
83.08607	3.0
84.04524	7.9
84.08128	2.6
85.02906	3.3
85.06504	2.1
86.09723	2.9
91.05487	21.8
93.03430	2.7
93.07039	6.2
95.04958	7.4
95.08595	4.6
97.02907	2.4
97.06544	3.2
98.98407	1.7
99.04485	1.9
100.11246	2.8
103.05444	5.7
104.89681	1.4
105.03388	4.5
105.07033	23.2
106.04201	2.5
107.04944	11.3
107.08601	2.9
108.05762	1.7
109.02879	1.7
109.06524	7.5
109.10139	2.3
111.08088	3.1
114.05496	2.4
115.05482	3.5
118.04152	4.8
119.04958	25.4
119.08538	3.6
121.06491	10.5
121.10154	2.7
123.04436	1.9
123.08072	4.1
125.05988	3.7
129.06952	2.3
130.05016	2.1
131.04918	4.7
131.08556	2.2
133.06491	23.3
133.10159	3.2
134.03639	4.9
135.04417	8.1
135.08037	2.0
135.11693	1.6
136.05179	5.9
137.05966	5.9
140.04648	12.9
141.05496	2.6
143.06090	2.5
147.04463	7.7
147.11702	1.8
149.05997	16.5
151.07523	14.2
152.04616	1.7
153.05473	100.0
154.06279	2.2
161.05981	42.5
165.05464	3.1
165.06995	4.5
165.12758	1.6
167.07068	17.1
168.07822	86.2
168.44675	1.4
175.11142	1.8
177.05409	3.1
178.06270	2.7
179.07103	8.4
179.08492	1.8
181.08565	6.4
192.13815	9.0
193.06825	3.2
193.08614	46.7
193.12222	9.7
195.08092	1.6
196.05724	2.8
196.07314	70.8
196.09131	3.5
203.06929	1.7
209.08052	9.2
210.06725	3.2
210.11263	1.8
211.09660	75.8
221.05957	5.5
225.09134	5.8
231.14056	1.6
236.86218	1.4
242.05698	10.7
249.28801	1.4
253.08537	5.8
257.96103	1.4
267.16068	3.8
270.05136	4.9
285.07504	34.2
285.11285	9.7
285.17859	2.5
285.24222	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1122
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
51.02363	0.2
51.71935	0.1
53.03948	0.4
55.01878	0.2
55.05521	1.2
57.03443	1.5
57.07064	0.2
65.03940	0.2
67.05238	0.2
67.05516	1.9
69.07064	0.6
71.04996	0.4
71.53121	0.2
71.77129	0.1
77.23233	0.1
78.04723	0.5
79.05494	1.4
80.90317	0.1
81.03426	3.9
81.07060	2.1
83.04999	0.7
83.08626	1.3
85.02911	3.1
85.03429	0.2
85.06553	0.2
91.05491	3.0
93.07047	1.4
95.04975	2.3
95.08612	0.7
97.06525	0.2
97.10173	0.4
98.97508	0.2
98.98485	0.2
105.04525	0.4
105.07034	1.7
106.04211	0.3
107.04967	0.4
107.08600	0.6
109.06515	0.4
109.10166	0.5
111.08083	0.7
113.05999	0.3
116.98501	0.2
117.07037	0.2
119.08607	1.4
121.06515	100.0
122.06840	0.4
123.08050	0.3
123.11700	0.4
129.07019	0.7
131.08588	0.7
133.06514	0.2
133.10141	0.8
135.11697	0.2
141.68713	0.2
147.11726	1.4
149.09631	0.4
151.03906	0.4
157.10139	0.9
163.03970	0.9
165.05576	0.4
166.12346	0.2
174.98946	0.2
175.11211	0.8
181.16301	0.2
189.00609	0.2
193.12257	3.8
193.13885	0.3
198.62938	0.1
200.14325	0.2
201.80508	0.2
201.86205	0.2
211.13310	3.3
240.23241	0.8
242.05748	1.4
267.15857	0.3
270.05167	0.8
277.21368	0.1
285.07629	5.1
285.11221	2.4
285.16879	3.5
285.24304	0.8
285.29010	0.8
296.51913	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	285.1123
Annotation	7,8-Dimethoxyflavanone
Peak:m/z	Relative Intensity
52.68672	0.1
53.03952	0.7
54.29055	0.1
55.05494	0.2
57.03427	0.2
63.02386	0.1
65.03928	0.2
67.05500	0.4
69.07056	0.1
77.03940	0.3
79.01844	0.2
79.05502	1.1
81.03417	0.3
81.07073	0.9
83.04980	0.1
85.02913	0.3
91.05476	1.6
92.02653	0.4
93.07011	0.3
94.04205	0.4
95.04993	1.0
95.08617	0.2
100.40180	0.1
105.03404	0.4
105.04496	0.4
105.07003	0.3
107.01342	0.3
107.04970	0.4
107.08609	0.1
109.06526	2.4
109.10185	0.2
111.08051	0.2
119.04948	2.6
119.05782	0.2
119.08581	0.4
121.10143	0.2
122.03654	4.5
123.04438	0.3
125.06003	0.9
131.08539	0.2
133.10110	0.2
135.04419	1.5
135.05537	0.3
137.05975	0.9
147.04419	4.8
147.11664	0.3
150.03119	1.2
151.03877	0.1
157.10094	0.2
165.05484	100.0
166.05835	0.3
168.04198	1.4
191.07098	0.2
193.12282	0.3
211.13217	0.2
242.05675	0.3
246.29163	0.1
269.08194	0.2
270.08975	0.7
285.11218	39.1
286.11533	0.3
298.46185	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	285.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44667	1.5
55.01867	2.9
55.05507	1.8
56.96303	3.4
56.96576	65.3
57.03442	6.2
57.15212	1.3
60.95861	1.8
61.02929	7.5
67.05515	1.9
67.26509	1.5
69.03440	14.0
70.06604	3.2
70.98145	7.0
71.01364	1.4
71.05000	2.8
71.52966	2.4
71.95274	5.3
72.08144	1.8
73.02927	5.4
73.06555	1.7
74.97635	1.6
75.89981	1.5
77.10062	1.4
79.05502	2.3
81.03421	6.2
81.07069	2.2
82.06591	20.9
83.04982	1.5
84.08145	9.8
84.96055	6.1
85.02914	17.3
87.04478	3.6
88.99158	1.5
91.03940	2.5
91.05492	9.3
95.08622	2.4
97.02896	12.4
97.06547	2.2
97.96796	2.4
98.97604	100.0
99.04469	2.7
99.97935	2.0
100.07635	75.9
100.99174	3.4
101.00865	6.4
102.00933	1.4
102.96965	2.1
107.04924	1.4
109.02914	4.9
110.01319	2.9
110.07195	1.8
110.97608	5.8
111.04505	2.0
112.92289	2.4
112.99129	3.3
115.03954	1.3
116.98640	59.3
117.01981	1.8
119.01894	10.5
119.04952	9.7
120.01981	2.8
120.97971	3.1
121.01611	1.4
121.02909	2.7
124.99144	5.4
127.03951	4.2
128.02367	3.1
128.98657	9.3
130.08594	1.8
130.93335	22.3
131.00174	2.6
131.01913	2.9
131.99173	2.2
134.99681	19.7
135.02989	1.8
135.04451	3.3
136.93130	1.6
137.02927	2.6
139.03908	8.8
140.00308	2.3
140.98613	4.1
143.00183	13.0
143.01971	2.0
144.98087	1.6
145.01735	1.9
145.03476	4.8
146.02359	1.9
146.99629	8.1
147.04411	33.8
148.04784	4.8
148.94373	4.8
152.05699	32.2
152.06982	1.5
152.99658	3.8
153.04089	4.1
153.06143	29.4
154.93295	5.4
155.00284	1.7
155.04648	2.3
156.06622	2.8
156.98122	3.3
158.99689	9.9
159.01141	1.9
160.97635	1.5
161.01251	8.4
161.02930	4.7
162.99231	2.0
163.03909	10.6
165.00848	3.1
166.01906	1.6
167.02859	2.2
168.00410	2.3
168.01830	3.6
168.98146	1.7
170.99654	3.0
171.04991	1.9
172.94337	51.0
172.97566	3.0
173.01295	3.2
173.02957	3.3
174.99197	2.0
175.00972	1.5
175.02681	2.5
176.05176	4.3
177.00729	7.0
177.02364	2.8
178.01100	1.9
182.03386	1.9
185.01213	2.9
185.02765	1.7
186.99173	3.8
187.02722	3.3
188.05141	6.9
189.00800	7.7
189.02371	2.6
189.04366	3.7
190.95418	59.0
190.98680	3.8
191.02325	2.2
191.04004	2.6
191.05920	2.6
197.03049	1.8
197.05804	4.4
198.04515	3.5
198.95940	2.4
201.00772	5.8
204.01262	2.3
204.96852	2.2
205.00256	4.8
205.03856	3.5
207.01753	8.0
207.05354	2.0
208.96475	20.9
210.02924	1.7
214.95480	5.5
214.98605	1.9
215.04068	3.3
216.97031	13.5
219.01848	7.0
219.03613	2.2
219.99181	1.9
220.02187	4.1
220.99565	1.9
223.01274	2.0
224.56137	1.8
225.03445	2.1
225.05464	1.7
225.97383	2.5
226.04018	2.1
227.06735	4.1
228.00047	1.8
230.98474	4.1
231.01900	2.2
232.96495	31.5
234.02515	3.2
234.97948	3.2
237.02777	4.0
239.02303	4.4
240.97171	7.1
240.99890	2.7
242.05826	6.4
242.95116	2.3
242.99640	1.7
243.01753	2.2
244.04964	55.4
246.97951	2.0
248.99469	6.7
249.02818	2.8
250.97604	14.7
256.96573	1.7
257.03287	1.9
258.98038	39.8
260.95972	17.4
261.02924	1.6
262.00198	1.9
262.03250	16.6
262.06036	37.4
267.00272	6.0
270.05344	2.2
274.97522	6.3
276.99176	21.2
278.97046	15.7
280.01111	1.7
281.99631	2.3
285.01309	3.2
285.07510	23.1
285.10150	2.4
285.14151	6.9
292.98712	1.5
302.97034	13.2
303.03381	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0759
Annotation	Acacetin
Peak:m/z	Relative Intensity
55.05482	0.8
57.03405	0.7
59.04967	0.2
60.82538	0.2
61.99582	0.2
67.05514	2.0
69.03386	0.2
69.07040	0.9
69.62334	0.3
69.62746	0.8
70.74817	0.2
71.04983	0.3
76.29543	0.2
78.80585	0.2
79.05452	0.7
81.03388	0.8
81.07064	3.2
83.04945	0.7
83.08579	0.7
84.04493	0.4
85.02849	0.2
85.82674	0.2
91.05470	0.7
93.07005	0.9
95.04925	0.4
95.08595	1.1
97.06509	0.3
99.08022	0.2
101.05974	1.0
105.07034	1.3
107.08564	0.8
109.10152	1.3
111.04459	1.0
115.36597	0.2
119.08556	1.2
121.06454	0.2
121.10122	0.8
123.08006	0.3
123.11658	0.7
127.97810	0.2
129.05435	0.6
130.06528	0.2
131.04886	0.6
131.08607	0.3
133.10095	0.5
137.02333	0.8
137.05937	0.2
141.09070	0.3
147.06473	0.3
147.11702	1.9
149.05922	0.2
153.01880	1.0
153.14540	0.2
157.10168	0.3
159.04437	0.6
163.03876	0.3
165.06984	0.4
165.12790	1.1
168.08096	0.5
170.09755	0.3
173.13277	0.3
175.07504	0.5
175.11299	0.3
179.30759	0.2
191.03371	0.8
193.12222	0.3
209.04379	0.4
210.06828	0.4
212.14348	0.6
213.05498	1.1
221.05974	0.4
225.09155	0.5
241.04865	0.4
242.05742	36.4
253.08603	0.6
255.06497	0.4
256.07263	0.3
267.16043	0.2
270.05234	49.6
271.05640	0.4
285.07584	100.0
286.04880	0.5
286.07922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57452	0.2
53.03940	0.4
55.05499	0.8
57.03437	0.6
63.22839	0.2
67.05518	1.5
68.99793	0.3
69.03410	0.5
69.07058	0.8
70.87784	0.5
71.05004	0.3
79.05499	1.8
81.03406	0.7
81.07064	5.3
83.04986	0.6
83.08604	0.5
85.02921	0.4
85.06535	0.4
91.05492	1.2
93.07043	1.4
95.04959	0.8
95.08610	1.5
97.06522	0.6
97.10129	0.2
99.08060	0.2
105.07050	1.2
107.04933	0.3
107.08593	1.1
109.06521	0.3
109.10126	0.8
111.04438	0.3
111.08074	0.3
112.28703	0.2
113.06025	0.2
119.08567	0.9
120.88599	0.2
121.10138	1.0
123.08100	0.4
123.11708	0.5
123.77676	0.3
124.07505	0.2
125.09570	0.2
129.07022	0.4
130.06546	0.2
131.04976	0.2
131.08563	0.6
133.06558	0.3
133.10132	0.9
137.02370	0.9
143.08578	0.4
144.08066	0.2
145.10080	0.3
146.05992	0.5
147.11705	1.1
149.09633	0.3
151.11137	0.3
157.10158	0.5
159.11716	0.5
161.98868	0.2
165.12738	0.5
167.07135	0.4
171.11661	0.3
175.11124	0.3
180.08134	0.4
188.07057	0.8
189.16351	0.3
191.03499	0.6
193.12289	0.8
196.11211	0.7
208.11266	0.4
211.13341	0.3
213.05441	1.2
213.16325	0.3
215.03551	0.2
222.12756	0.4
225.09123	0.3
241.04875	0.4
242.05765	35.2
245.35716	0.2
249.18576	0.2
267.19553	0.6
268.13373	4.9
270.05258	50.5
271.05850	0.3
279.95688	0.3
285.07602	100.0
285.22061	0.9
286.04886	0.3
286.07971	0.6
296.56812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05058	1.0
57.07064	0.6
59.04989	0.7
60.25181	0.6
69.03422	1.0
70.06602	0.7
71.53397	1.0
79.05496	1.5
81.03408	0.6
81.07066	2.1
81.07542	0.6
82.07368	0.6
83.06098	2.5
84.04511	48.3
85.02910	3.7
87.08129	0.9
93.07051	1.8
95.04980	0.6
97.02879	1.3
101.07156	3.8
102.05560	1.3
105.07061	0.7
110.06035	1.0
121.31935	0.6
123.06819	2.3
126.09159	9.3
127.03940	0.8
129.06607	10.5
130.05016	72.3
133.33319	0.6
138.09152	100.0
140.07011	0.7
145.04951	0.8
147.07658	58.3
155.11819	3.3
156.88351	0.6
163.03946	0.8
189.96904	0.6
221.12857	6.2
238.11458	0.6
242.14612	0.9
266.10092	0.6
266.14978	1.6
267.13425	1.4
284.16064	23.9
284.20978	1.4
284.29440	3.0
285.07584	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2057
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
51.02360	0.5
53.03949	4.2
55.05511	4.3
58.16593	0.6
63.58520	0.5
65.03949	2.8
66.04727	1.1
67.05511	8.9
69.03441	0.8
69.07066	2.3
70.72018	0.7
70.72368	1.7
77.03940	0.9
79.05498	37.8
81.07059	100.0
82.53823	0.5
83.04964	1.6
83.08620	1.0
91.05480	12.5
93.07050	14.7
95.04970	39.6
95.08615	7.6
97.06515	1.4
105.04529	0.7
105.07035	20.6
107.08601	16.9
107.09313	1.2
109.06516	6.2
109.10138	3.1
115.05457	0.7
117.07014	5.3
119.08583	14.4
121.06541	1.7
121.10136	4.2
123.08043	2.8
123.11731	0.8
128.06221	1.3
129.07024	3.5
130.07782	1.2
131.08569	10.5
133.06505	0.8
133.10130	6.9
135.08076	2.0
135.11687	1.1
141.06946	0.7
142.07782	1.4
142.65201	0.5
143.08582	5.3
144.09326	1.5
145.10130	10.7
145.28505	0.7
147.08046	6.2
147.11693	4.0
149.09674	1.1
149.13251	0.6
155.07433	0.7
155.08643	1.8
156.09369	1.3
157.10152	5.3
158.10924	1.0
159.08055	1.6
159.11700	5.6
161.09639	2.5
161.13246	3.7
163.11147	0.9
168.09309	1.1
169.10056	3.0
170.11035	0.8
171.08067	0.6
171.11702	4.3
173.09613	1.5
173.13289	3.5
175.11211	1.9
175.14780	1.4
180.09360	0.7
181.10161	1.3
182.31673	0.7
183.11707	2.5
185.09674	1.7
185.13275	3.1
187.11238	2.4
187.14790	3.1
189.12749	1.7
194.10811	0.6
195.11736	1.6
197.13246	1.7
199.11143	1.5
199.14844	2.3
201.12744	3.4
201.16515	0.7
202.13545	0.8
203.14343	1.7
209.13248	2.2
211.14836	0.9
213.12764	1.7
213.16440	1.8
215.14410	0.8
223.14825	0.7
225.16418	0.8
227.14354	2.7
237.16478	0.7
237.62045	0.6
239.18044	0.9
241.19482	1.0
255.21118	1.6
265.19455	1.8
283.20578	75.9
284.20874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
55.05508	4.4
57.07054	1.2
62.18529	0.7
64.85651	0.7
67.05505	4.5
69.03430	0.9
69.07063	3.5
70.56055	1.5
79.05498	5.9
79.08518	0.7
81.07061	12.4
83.04984	1.3
83.08595	1.3
91.05489	6.5
93.07040	8.6
95.04975	2.3
95.08001	0.7
95.08610	13.1
97.06509	2.2
105.07028	12.7
107.08596	10.8
109.06505	2.8
109.10159	6.0
111.08062	1.3
115.05407	0.9
117.06990	3.4
119.08578	10.8
121.06503	2.8
121.10149	5.6
123.08067	1.8
123.11720	1.3
125.09641	1.0
128.06204	2.3
129.06999	4.5
130.07799	1.5
130.46729	0.6
130.91170	0.7
131.08566	9.1
133.10130	8.6
135.08066	2.6
135.11684	1.1
137.09666	0.9
141.06985	2.8
142.07784	3.8
143.08559	10.0
144.09375	0.8
145.10110	11.6
147.08060	2.8
147.10864	0.6
147.11714	6.5
149.09634	1.4
149.13264	1.2
153.06964	1.3
154.07759	0.9
155.08539	6.9
156.09346	3.1
157.10127	16.2
159.08044	1.0
159.11697	8.7
161.09720	3.1
161.11024	0.6
161.13312	3.3
163.11169	0.8
165.07028	1.9
166.07706	1.4
167.08534	3.5
168.09367	1.9
169.10126	9.5
170.10912	1.8
171.08032	1.1
171.11684	10.7
173.09576	1.9
173.13235	5.0
175.11183	2.2
175.14923	1.2
179.08594	3.9
180.09338	2.1
181.10133	7.4
182.10921	1.8
183.11685	9.4
185.09605	1.3
185.13264	6.3
187.11186	2.3
187.14825	2.7
189.12704	2.1
193.10129	2.8
194.10875	3.2
194.16650	0.6
195.11697	10.2
196.12523	2.7
197.13243	7.6
198.14085	0.7
199.11156	3.8
199.14862	6.2
201.12791	1.8
203.14156	0.9
207.11653	1.7
208.12508	1.5
209.13283	14.0
210.13985	2.0
211.14847	5.9
213.12793	3.2
213.16325	3.1
215.14494	0.8
221.13220	1.7
222.13976	0.9
223.14842	8.0
225.16394	6.5
227.14285	4.9
227.17851	1.3
235.14891	2.0
236.15608	1.7
237.16385	3.5
239.17909	2.8
241.15862	2.6
241.19511	2.2
250.17116	0.9
252.18697	1.2
253.19627	4.3
255.17310	0.7
255.18544	0.9
255.21069	8.8
265.19522	18.4
283.20566	100.0
284.20880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0965
Annotation	Bonducellin
Peak:m/z	Relative Intensity
51.00904	0.3
51.01137	0.3
53.03942	0.8
54.20869	0.3
54.75246	0.3
55.01868	0.7
55.05508	1.5
60.98613	0.3
65.03944	1.7
67.05517	2.6
68.99790	1.0
69.03423	0.8
69.07064	1.5
79.05509	2.7
81.03414	3.1
81.07052	5.0
83.04987	1.0
83.08659	0.5
89.06022	0.5
89.10432	0.3
91.05482	10.5
93.07046	2.7
95.04963	1.9
95.08601	2.0
97.02889	1.1
97.06542	0.5
97.10149	0.4
103.05459	3.5
105.07027	1.8
107.04970	1.5
107.08583	2.1
109.06515	0.9
109.10172	1.1
111.04446	1.1
111.08112	0.4
115.05477	1.7
116.46374	0.3
117.07037	2.3
119.04955	3.2
119.08590	2.6
121.02872	1.0
121.03991	0.3
121.06501	9.0
121.10132	1.5
123.04400	0.9
123.11726	0.4
125.05991	0.3
129.07031	0.6
130.04164	0.7
131.04945	2.6
131.07716	0.3
131.08560	1.5
132.05710	0.7
133.06494	0.7
133.10117	0.8
135.04420	0.4
135.08031	1.0
135.11717	1.4
137.02342	28.7
139.07523	0.4
142.07761	0.7
143.08569	1.4
145.06491	4.7
145.10114	2.0
146.07225	0.4
147.04413	44.5
147.08051	5.1
147.11694	0.8
153.12715	1.1
157.10127	1.0
159.11714	1.1
161.09544	0.4
161.13248	0.4
163.11226	1.6
169.10162	0.6
171.11665	0.9
173.05988	3.4
173.13263	0.5
175.03912	27.6
181.12161	0.4
183.11745	0.8
185.13300	0.9
187.14821	0.5
191.10670	0.8
193.04970	68.1
195.11838	0.6
195.13847	1.1
197.13405	0.4
199.14891	0.5
209.11659	0.9
209.13446	0.5
216.06572	2.0
223.14902	0.5
225.16376	0.5
227.12645	0.7
227.14575	0.6
234.06737	0.5
241.14362	1.3
251.07048	0.5
255.10271	0.5
255.21140	0.6
265.19595	0.7
283.09659	100.0
283.20438	6.4
284.09998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0964
Annotation	Bonducellin
Peak:m/z	Relative Intensity
53.03934	0.7
55.05489	0.4
56.79901	0.3
60.60183	0.3
60.62373	0.3
65.03942	1.0
67.05491	1.1
68.99794	0.6
69.03426	0.4
69.07060	0.4
69.24870	3.4
79.05502	0.8
81.03423	2.6
81.07051	1.5
83.04977	0.6
83.08629	0.4
91.05485	9.3
93.07025	1.2
95.04946	1.2
103.05470	3.5
105.07052	0.6
107.04938	1.2
107.08572	0.7
111.04430	1.1
115.05441	1.3
117.06982	1.2
119.04942	3.8
119.08554	0.7
121.02875	1.0
121.06506	10.1
121.73000	0.3
123.04443	0.8
129.06955	0.5
130.04137	0.4
131.04929	3.6
132.05676	0.8
133.06480	0.7
133.10106	0.4
137.02339	28.8
145.06496	5.5
146.07275	0.4
147.04414	43.8
147.08043	5.7
149.05907	0.4
173.05957	3.0
175.03914	40.7
193.04971	62.2
195.13821	0.7
212.15758	0.4
216.06573	1.5
241.14308	1.1
251.07043	0.5
252.26309	0.4
265.08496	0.6
283.09653	100.0
283.20560	1.8
284.09912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	20.6
62.96836	4.1
69.73486	26.8
71.04982	6.2
81.03421	5.9
85.02895	5.8
97.02857	5.9
98.79933	4.6
98.97587	100.0
101.49346	4.1
101.84353	4.8
104.10747	8.3
116.98627	51.9
126.27129	4.1
130.01123	4.7
134.99692	22.7
146.08069	5.7
161.01279	6.4
177.00677	5.4
185.03908	15.8
192.04565	6.1
209.99577	5.3
219.01921	10.3
237.02835	8.2
258.99829	56.1
277.00790	70.9
282.00726	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	282.014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05897	0.4
54.98408	0.4
56.96571	13.8
57.03437	0.8
61.01156	0.9
61.02922	1.1
69.03431	2.6
70.45560	1.6
70.98124	1.1
71.61017	0.4
71.95267	1.8
73.02925	1.1
81.03419	0.5
81.04554	0.6
82.06544	0.4
84.96035	0.5
85.02901	3.6
86.09708	1.1
87.04449	0.5
91.05492	0.7
92.15305	0.4
97.02907	2.5
98.97591	100.0
100.07634	1.2
101.00867	1.3
102.96880	0.5
107.06077	0.5
109.02890	1.1
110.97585	1.1
113.02339	0.4
116.07088	1.1
116.98628	40.3
119.01917	3.0
119.04971	0.7
120.01955	0.5
120.66212	0.4
124.99141	0.7
127.02482	0.6
127.03965	2.0
128.98628	0.7
130.93340	1.0
132.10161	0.5
132.98062	0.6
134.99673	10.4
136.06203	0.6
137.03003	1.1
140.00128	0.7
141.98767	0.4
143.00108	0.7
145.03497	2.0
145.04852	0.6
146.99632	1.3
147.04425	2.6
147.98521	0.5
150.07762	8.7
150.97102	0.6
153.00699	1.0
153.01852	0.5
154.93263	0.5
158.01239	0.5
158.99641	1.7
161.01210	0.8
163.02722	0.5
163.04431	1.2
168.05066	0.5
168.98126	1.6
172.01534	0.6
172.94331	0.8
172.97665	0.4
174.04324	0.4
174.97600	0.5
186.99138	0.9
189.00708	0.8
190.95427	0.6
198.99107	0.8
205.05531	0.7
210.98903	0.6
213.02538	0.8
217.00215	1.5
217.98969	0.5
219.01656	0.6
220.10889	0.5
231.03473	1.0
232.96468	0.5
234.99638	0.7
237.02788	0.6
240.98517	2.6
248.99481	0.5
258.99786	42.0
272.80530	0.5
277.00830	53.7
278.01102	0.4
282.01678	0.8
282.11911	0.6
300.02539	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03954	7.4
55.01863	5.2
55.05515	31.6
57.03442	27.5
57.07069	3.2
58.71204	1.1
63.08604	1.1
65.03930	4.6
67.05510	83.6
69.03430	2.8
69.07073	20.4
69.84161	1.0
71.04972	3.4
71.53626	2.2
73.06540	2.2
75.67121	1.2
77.03911	1.7
79.05498	100.0
81.03428	15.3
81.07060	69.5
83.04987	39.3
83.08622	10.2
85.02921	1.6
85.06530	3.8
85.65210	1.1
91.04909	2.8
91.05486	68.1
93.07050	76.1
95.04979	27.7
95.08614	42.3
97.02926	2.0
97.06551	7.7
97.10175	5.4
99.08104	1.6
103.05453	1.4
105.04506	2.1
105.07038	51.2
107.04970	10.8
107.08602	26.9
109.06544	8.3
109.10155	9.2
111.08081	1.8
115.05448	2.1
117.07016	10.6
119.08591	35.6
121.06490	4.1
121.10163	6.4
123.08088	8.8
123.11724	2.3
127.07546	1.4
128.06218	3.4
129.07018	21.4
131.08545	3.0
133.06480	1.8
133.10126	15.9
135.08066	2.6
135.11699	3.4
137.09641	1.7
143.08566	9.1
145.10135	13.8
147.08058	4.4
147.11697	40.4
156.09229	1.3
161.09669	5.3
161.13261	20.6
163.11159	1.7
171.10274	2.2
171.11696	38.6
189.12764	15.2
207.13817	18.6
264.89178	1.2
281.17480	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.2
53.03942	8.5
55.01867	3.6
55.05275	2.1
55.05518	34.5
56.96564	9.4
57.03440	27.2
57.07071	5.0
65.03934	4.4
67.05508	81.7
67.29492	1.4
69.03429	5.9
69.07075	25.2
71.04996	4.7
71.08614	2.2
71.53103	2.6
73.02924	2.7
73.06543	1.9
79.05500	100.0
81.03420	15.5
81.07064	72.3
83.04987	34.0
83.08212	1.7
83.08630	14.7
85.02894	3.3
85.06510	2.1
90.79152	1.4
91.05485	69.1
93.07051	80.9
93.61354	1.3
95.04978	26.0
95.08614	48.3
97.02885	3.6
97.06532	7.7
97.10185	7.9
98.42982	1.4
98.97591	11.5
99.08081	2.3
101.60849	1.8
103.05473	1.5
105.03298	1.8
105.04492	3.6
105.07034	52.8
106.97977	1.7
107.04980	11.3
107.08599	27.8
109.06510	10.9
109.10188	12.0
110.97563	2.1
111.08059	2.5
114.19624	1.5
116.98615	4.7
117.07026	9.5
118.97051	1.8
119.04945	1.6
119.08587	29.7
121.06516	5.5
121.10155	8.9
123.08076	10.3
123.11694	3.1
127.07533	3.4
128.06230	2.2
128.98616	1.6
129.07033	19.5
131.08600	6.3
133.06532	1.9
133.10127	14.1
135.08051	3.0
135.11676	5.1
137.09602	1.5
143.07524	2.0
143.08592	12.0
145.10115	14.5
147.08058	3.8
147.11694	40.6
149.02341	2.2
150.02655	2.5
151.02811	3.4
158.99657	2.4
159.11708	1.6
161.09593	3.7
161.13263	21.9
163.96095	1.5
165.09142	1.8
171.11694	33.6
173.33789	1.5
176.11359	2.6
177.00726	2.5
179.14345	3.2
182.11400	3.5
185.11998	5.1
189.12762	15.4
191.11960	5.1
193.12105	1.5
199.87556	1.9
200.12569	7.3
207.13824	18.7
209.12933	2.4
211.63286	1.8
221.12984	1.6
257.14096	8.0
263.14069	4.1
266.14542	6.4
271.64056	1.6
272.14597	34.3
272.64752	3.1
281.14987	32.0
281.17548	66.2
281.65302	5.6
285.29007	1.5
292.66019	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61413	1.7
55.01865	1.7
55.05514	6.4
57.03431	5.5
57.07082	81.4
59.04988	2.7
63.04496	33.8
64.19887	1.9
67.05494	1.8
67.39703	2.1
69.03436	8.5
71.04996	2.0
71.53580	2.9
79.05491	2.8
81.03412	3.8
83.04996	4.8
85.02438	3.6
85.02914	44.2
91.05473	3.6
93.07047	3.2
95.04990	3.3
97.02910	7.0
99.04462	3.9
101.06017	2.3
101.09645	4.6
105.07063	3.0
109.02913	3.3
109.06557	2.3
119.10708	100.0
121.02867	2.3
121.06509	2.6
121.10111	2.4
127.03927	3.2
131.08598	2.1
133.10146	3.7
135.08119	1.9
145.04953	2.6
146.87173	1.9
147.08128	1.8
149.02379	2.1
150.02759	2.5
151.02803	2.6
161.09654	1.7
163.03854	2.2
163.11159	3.9
177.50374	2.0
185.02296	1.7
185.82982	1.7
202.90990	1.8
235.68161	1.9
259.81787	1.7
263.16522	1.8
281.17603	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	281.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
54.03479	1.5
55.04249	2.3
56.96576	0.6
57.07071	0.6
69.07076	0.5
70.02946	0.5
70.30267	0.3
71.16090	0.6
76.46513	0.3
77.99475	0.3
81.04544	12.5
81.07071	0.4
82.04855	0.5
82.05322	6.2
85.02914	0.5
91.05447	0.5
93.07030	0.4
95.08587	0.3
98.97598	0.6
100.02618	0.3
107.05003	0.5
108.05627	0.9
115.03934	0.4
119.04928	0.3
120.08095	1.5
121.02896	0.4
121.06535	0.4
122.07157	18.7
123.07936	100.0
132.49628	0.3
136.06192	3.8
139.03882	0.5
139.09872	0.3
147.04431	0.8
149.02316	0.8
150.02744	0.8
150.05504	0.9
151.02829	0.8
153.01836	0.6
157.52124	0.3
160.04286	1.2
162.04124	2.0
165.07716	6.6
166.08630	0.3
232.78781	0.3
235.10878	0.4
246.07629	0.3
252.05338	0.4
281.10675	77.7
282.10904	0.5
299.06107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.1
56.96575	100.0
57.03456	11.1
60.95852	2.1
61.01161	12.7
61.02936	6.0
69.03439	14.3
70.22904	1.8
70.23246	5.1
70.98132	4.6
70.99860	2.1
71.43513	1.7
71.95287	3.0
73.02935	11.1
78.02027	2.0
81.03422	8.0
82.01480	3.2
84.96059	3.2
85.02921	37.2
85.97733	1.6
87.04471	1.7
88.99210	1.8
91.03986	2.1
91.05510	2.4
97.02908	16.6
98.20897	2.1
98.97602	49.0
99.04469	3.6
100.02499	2.9
100.97256	2.4
100.97951	2.1
100.99212	1.9
101.00887	4.4
102.96926	1.6
108.01531	1.8
109.02913	5.8
110.01307	1.8
110.97572	8.5
114.04098	1.9
116.86168	1.5
116.98634	17.3
117.02145	1.7
119.01862	8.9
119.04990	3.1
124.99144	6.3
127.00708	6.5
127.02435	1.7
127.03955	11.1
128.98624	5.4
131.00174	3.9
131.01891	3.1
134.99638	3.2
136.99136	10.3
140.02437	1.6
143.00142	10.5
143.01860	2.6
145.01785	4.8
145.05013	4.8
146.99652	2.5
147.04445	7.4
149.01225	2.0
154.93350	1.7
155.00174	44.4
155.02872	3.6
158.99683	14.1
161.01280	7.2
161.02888	3.6
162.99203	2.4
163.03999	2.0
170.03297	2.0
170.99696	6.9
172.97749	3.2
173.01256	53.5
173.02785	2.9
174.99339	2.4
175.00912	4.2
177.00728	6.8
182.03421	5.2
182.99660	1.8
185.02888	2.3
189.00774	9.0
190.55965	2.2
190.98656	2.2
191.02306	28.1
191.03947	21.3
191.05594	2.5
193.00250	3.0
193.02080	2.5
196.02774	2.0
198.02515	7.3
198.99113	1.6
199.56470	1.7
200.04468	26.8
200.06253	2.4
201.00746	2.8
203.00439	3.6
207.01790	4.2
209.03386	9.5
209.05057	1.8
214.98793	1.6
217.00221	33.7
217.02184	3.1
219.01877	5.9
221.01498	3.2
226.02037	6.9
226.27057	1.7
230.03494	3.0
232.04951	2.7
234.92102	1.7
235.01297	86.4
237.02850	5.7
239.04366	2.2
240.01939	4.0
249.02951	2.0
253.02336	9.5
255.03943	2.0
258.02554	3.0
258.04745	6.3
258.99771	4.6
263.00732	2.7
265.02158	1.6
267.00424	2.9
276.03983	3.8
277.00909	6.2
277.07681	2.7
278.07916	7.6
279.03943	5.8
279.07504	3.2
281.01855	4.9
281.05212	2.3
288.02469	1.5
288.06207	1.7
295.09018	2.2
296.08981	5.1
297.08676	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2272
Annotation	Micropine
Peak:m/z	Relative Intensity
51.65591	0.9
55.05510	3.0
57.07082	1.9
58.06598	2.1
59.78970	0.9
60.04530	49.2
67.05509	9.8
69.07072	8.5
70.06606	6.4
70.33025	2.1
70.33379	1.5
71.04987	1.3
71.18839	0.9
72.08133	1.0
79.05502	7.4
81.07064	20.2
83.08599	2.1
91.05485	10.9
93.07040	11.2
95.08616	29.0
97.06519	1.5
97.10146	2.4
105.07036	31.9
107.08607	14.3
109.10167	22.0
112.07633	2.1
119.08585	34.2
120.95368	1.0
121.10150	9.0
123.11713	8.7
133.10141	17.1
135.11687	4.5
137.09650	1.6
137.13242	1.5
145.10136	1.4
147.11691	56.2
150.02631	1.4
150.12897	1.0
161.13278	11.2
163.14854	2.4
165.12755	2.6
175.14900	2.4
189.35802	1.0
197.82712	0.9
203.17966	100.0
204.18324	1.3
205.15822	1.0
220.20581	3.3
221.19044	4.7
222.76878	1.1
238.21732	1.3
238.29228	0.9
262.21664	13.4
280.22714	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03945	1.2
55.01880	0.6
55.05513	9.7
57.03449	1.2
57.07079	14.6
59.30944	0.4
64.05073	0.4
65.03945	3.6
67.05507	93.0
69.07069	10.2
71.04996	1.6
71.08644	0.7
71.52715	0.5
71.53114	0.5
75.85139	0.4
79.05492	13.1
81.07059	100.0
83.04992	1.2
83.08627	6.2
84.73492	0.4
85.06547	1.7
87.04472	0.6
91.05475	4.4
93.07047	13.9
95.04989	0.8
95.08611	82.4
97.06516	2.0
97.10175	3.5
99.08087	0.6
105.03419	0.5
105.07024	4.8
107.08602	10.3
109.06509	0.8
109.10162	49.2
111.08055	1.1
111.11725	1.4
113.09629	0.5
117.07022	1.6
119.08591	5.0
121.02892	4.2
121.03802	0.6
121.03939	0.5
121.06530	0.6
121.10149	7.8
123.08079	1.4
123.11711	26.6
125.09590	0.7
125.13351	0.5
127.07552	1.0
131.08582	5.3
133.10133	4.2
134.53822	0.4
135.08064	1.2
135.11699	5.4
137.09589	1.9
137.13258	10.1
139.11154	1.1
141.09146	0.7
145.10133	3.9
147.11711	3.5
149.02347	87.2
149.09587	2.0
149.13222	3.5
150.02742	0.7
151.11191	1.7
151.14816	3.1
153.09181	0.5
155.10626	0.4
159.11720	3.2
161.13225	3.0
163.11153	2.2
163.14833	2.5
165.12721	1.7
165.16348	1.0
167.03395	1.9
167.10741	0.9
167.89285	0.4
173.13261	3.2
175.14912	0.7
177.12752	2.1
177.16385	2.0
179.14304	1.0
181.12244	2.6
181.50111	0.6
187.14815	4.1
189.04907	0.5
190.05014	0.7
191.14331	1.8
195.13803	3.1
201.16431	2.1
205.08519	1.2
205.15842	1.1
209.15361	3.3
219.05661	1.5
219.17497	1.7
219.21045	1.5
223.16948	4.0
224.00163	0.4
237.18523	1.5
243.21074	5.0
261.22180	6.0
279.09430	2.5
279.19852	3.2
279.23190	56.5
280.23541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1956
Annotation	Paralemnolin D
Peak:m/z	Relative Intensity
55.05515	3.6
57.07076	13.8
64.51799	0.6
65.03931	2.0
67.05505	20.1
69.07069	3.2
70.13357	2.1
79.05494	6.6
81.07059	23.0
83.04964	0.8
83.08614	1.7
85.06533	1.1
91.05484	8.1
93.03423	0.8
93.07055	9.9
95.04964	1.1
95.08607	21.2
97.06512	0.9
97.10154	0.8
99.08077	2.3
105.03432	0.8
105.07031	12.6
107.08601	8.3
109.06564	0.8
109.10167	15.5
109.55841	0.6
111.08079	1.7
111.11681	0.7
117.07015	11.4
119.08576	8.2
121.02888	3.4
121.03712	0.6
121.10141	8.0
123.08031	1.1
123.11707	6.9
125.09651	0.9
130.07826	0.7
131.08569	8.7
133.10133	16.9
135.08081	0.8
135.11711	4.6
137.09642	1.2
137.13266	2.2
139.11226	0.9
143.08571	1.0
144.09224	0.9
145.10129	17.1
147.11702	6.3
149.02348	100.0
149.09612	1.8
149.13280	1.2
159.11691	16.1
161.13255	3.7
163.11205	2.8
165.12793	0.9
167.03458	1.2
173.13254	3.9
175.14830	1.4
177.12779	2.2
189.16388	35.5
190.05016	0.8
191.17897	1.5
201.04619	0.9
201.16383	22.6
205.08521	0.7
219.05774	1.2
219.17464	16.9
223.17009	0.7
237.18515	1.2
243.21118	1.0
261.22104	0.9
279.09351	4.0
279.19574	9.9
279.23224	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	279.1957
Annotation	Paralemnolin D
Peak:m/z	Relative Intensity
51.02407	0.6
51.48559	0.5
54.18412	0.4
55.05500	2.1
57.07081	13.8
60.88832	0.5
65.03937	1.3
67.05506	5.1
69.07057	2.4
69.47355	0.6
70.91038	0.5
70.91352	1.1
79.05493	5.5
81.07068	13.5
83.08620	1.3
91.05487	5.2
93.06487	1.0
93.07052	15.7
95.04953	1.7
95.08615	12.2
97.06541	1.5
105.07040	20.3
107.08603	17.2
109.06533	0.6
109.10154	7.4
111.08065	2.2
116.73016	0.5
117.07033	3.2
119.08593	13.8
121.02860	4.2
121.03814	0.8
121.06519	0.6
121.10155	8.2
123.08064	0.9
123.11716	1.5
125.09618	1.1
129.07007	0.8
130.07791	0.8
131.08575	13.7
133.10143	5.2
135.07994	0.7
135.11697	2.3
143.08568	0.8
144.09398	0.8
145.10138	27.4
147.11703	4.6
149.02353	100.0
149.09659	1.1
149.13246	1.9
157.10074	0.7
159.11710	15.8
161.13264	5.0
163.11250	1.5
167.03369	1.4
173.13286	7.0
175.14810	1.6
177.12836	1.1
185.43634	0.5
190.04977	1.5
191.18005	1.2
193.55702	0.5
196.69473	0.5
201.04723	0.6
201.16396	61.8
205.08617	1.6
219.05746	0.9
219.17461	17.4
223.14891	0.7
251.14264	0.8
261.18329	0.9
279.09369	1.8
279.13959	2.9
279.19525	7.0
279.22675	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13018	0.5
55.05514	33.3
57.07074	6.2
58.99586	15.0
61.01131	1.3
70.58609	1.7
70.95190	0.6
73.01132	2.0
76.02233	5.7
76.04005	3.9
79.05489	1.3
81.07035	0.9
83.08620	30.2
83.99593	0.5
86.99055	14.2
88.02216	3.2
101.09671	2.0
102.03735	0.8
115.05772	0.7
116.01682	56.9
121.02905	1.2
129.07301	0.9
138.52707	0.6
138.56584	0.6
144.01154	26.7
148.21753	0.6
149.02345	35.2
149.07426	0.7
159.08397	7.1
162.02208	100.0
167.03409	1.0
185.12498	0.7
187.22878	0.6
244.10167	1.4
245.25465	0.6
262.11087	32.5
279.13699	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	279.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02260	1.9
56.96572	13.6
57.03424	6.4
69.03436	6.2
71.04993	2.4
71.43487	3.0
73.02888	2.4
81.03408	6.7
82.06575	8.7
84.96040	2.6
85.02893	9.4
85.99682	2.0
89.83109	2.0
97.02923	4.3
98.97594	100.0
100.07629	25.4
101.00899	5.3
103.00630	10.0
109.02892	4.8
110.97594	17.5
115.00673	3.3
116.98632	28.4
119.01908	4.3
121.01675	11.3
124.99131	3.2
127.03924	3.7
128.98637	11.8
130.43227	2.3
130.55252	3.3
131.01866	2.5
134.99666	3.5
135.03175	3.5
139.02615	3.1
143.00177	7.7
143.01926	4.4
146.08138	48.3
146.99701	3.7
147.03114	3.1
157.03481	4.3
158.99678	34.3
159.03246	9.5
161.01212	5.8
161.03030	2.6
161.67316	2.3
163.02740	8.4
165.55629	2.6
170.99707	5.7
177.00742	29.6
177.04295	5.2
181.56886	2.7
182.54922	7.7
187.02756	5.3
189.00780	10.5
190.05914	2.4
190.57439	2.4
191.07489	2.5
191.55435	4.1
193.00189	3.1
198.04657	3.2
201.04205	3.9
207.01768	8.8
219.01776	7.8
229.03830	2.2
237.02869	21.8
255.03949	14.0
257.82285	2.5
277.07684	6.2
279.04590	38.2
279.07617	25.2
295.08807	7.9
297.04941	7.3
297.08652	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2165
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
50.69503	1.1
53.03937	2.7
55.01871	1.5
55.05515	16.7
57.03423	1.9
57.07080	6.2
59.04992	2.1
65.03915	1.6
67.05510	21.8
69.03439	13.9
69.06791	1.2
69.07079	14.6
70.78083	1.4
70.78423	3.4
71.04994	7.9
79.05079	1.3
79.05504	19.7
80.62054	1.1
81.03420	5.3
81.07069	38.4
83.04987	16.6
83.08611	9.4
85.06540	11.4
91.05479	12.1
93.06492	2.2
93.07053	37.7
94.46623	1.2
95.04965	5.6
95.08617	29.1
97.06533	5.9
97.10133	2.5
99.08077	1.5
104.90090	1.3
105.04486	1.6
105.07040	25.0
107.04952	4.5
107.08608	37.3
109.06535	14.1
109.09476	2.3
109.10171	37.5
111.08092	8.8
113.09652	16.9
113.96395	1.2
117.07032	5.0
119.08590	29.6
121.02861	1.3
121.06494	4.4
121.10153	51.2
122.07294	2.7
123.08100	6.6
123.11718	16.6
125.09629	5.5
131.08548	7.3
133.10143	43.1
135.08046	5.7
135.11714	24.8
137.09627	22.0
137.13203	2.0
139.11221	9.8
143.08617	2.3
145.10112	10.6
147.08076	4.0
147.11694	13.4
149.01157	2.5
149.02357	44.3
149.09680	9.0
149.13242	12.1
151.11197	33.6
153.12733	1.2
157.10115	5.4
159.11754	11.0
161.09654	5.5
161.13261	13.1
163.03958	1.5
163.11185	2.7
163.14856	3.0
165.12769	5.8
171.11678	4.4
173.13220	4.2
175.11234	5.4
175.14853	27.1
177.12849	2.3
179.14343	2.8
185.13281	6.9
189.12709	3.5
189.16406	1.5
193.15895	6.3
199.14763	2.3
201.16377	11.7
203.14342	8.9
215.18018	1.5
217.15955	3.8
217.19513	3.0
219.17461	3.6
241.19566	6.3
259.20584	19.1
277.21640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02372	1.2
53.03962	5.5
55.05273	1.5
55.05515	18.4
56.84804	1.0
57.07064	3.3
65.03931	1.8
67.05510	31.4
68.05509	1.0
69.03427	1.2
69.06721	1.6
69.07073	16.5
69.33867	1.0
70.53213	3.6
77.03943	2.1
79.05499	77.0
81.07063	31.4
83.04976	2.2
83.08621	7.2
83.32188	1.2
85.06537	1.3
88.36865	1.1
91.04910	1.2
91.05486	29.1
93.07052	100.0
95.04977	3.4
95.08612	24.9
97.06501	1.4
97.10168	3.5
105.04494	1.9
105.07038	13.3
107.08604	46.6
109.06520	1.9
109.10166	13.8
117.07038	4.2
119.08587	10.0
121.10151	48.5
123.11701	3.8
125.09618	1.3
129.07011	2.3
131.08572	4.6
133.10133	12.6
135.08063	1.3
135.11700	51.0
136.45276	1.2
143.08543	1.6
145.10112	2.2
147.11722	7.9
149.09662	1.5
149.13274	20.3
157.10040	1.7
159.11694	4.5
161.13261	4.1
163.14792	4.0
163.22346	1.2
165.09402	1.1
171.11745	2.3
173.13303	3.2
175.14796	2.4
177.12703	2.0
177.16330	1.1
185.13239	3.3
195.13864	1.7
199.14783	2.3
207.13744	1.4
213.16383	1.4
221.15361	2.5
231.21014	1.4
235.17148	5.0
241.19460	1.5
259.20596	3.5
268.97275	1.1
277.21637	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03932	3.8
53.34708	1.1
55.05275	1.3
55.05513	15.4
57.07057	2.9
67.05509	33.2
69.07068	13.5
71.04993	1.7
71.39006	1.7
77.03938	1.6
79.05496	68.6
81.06589	1.9
81.07059	33.5
83.04961	1.6
83.08620	7.3
83.32803	0.9
85.06541	2.1
91.05481	24.7
93.07049	100.0
95.04973	5.1
95.08609	24.9
97.06523	2.0
97.10164	4.8
105.04506	2.4
105.07037	12.4
107.08600	48.5
109.06532	0.9
109.10162	14.8
109.29784	0.9
110.67303	0.9
110.70140	1.0
111.08072	1.3
117.07044	2.5
119.08596	10.5
121.10151	41.6
123.08046	1.6
123.11697	3.1
129.07068	1.2
131.08546	3.5
133.10152	11.2
135.11691	59.0
137.66193	1.0
143.08514	1.3
145.10133	3.0
147.11700	8.0
148.57787	1.1
149.09596	2.3
149.13258	24.4
157.10046	1.1
159.11679	3.0
161.13254	3.8
163.11206	1.0
163.14818	6.5
167.10622	1.9
171.11659	3.6
173.13258	2.4
175.11232	1.5
175.14832	1.9
177.12724	1.6
181.12279	1.5
185.13203	2.2
189.12782	1.1
195.13809	1.5
199.14850	2.1
207.13861	1.5
209.15277	1.2
213.16354	2.9
221.15311	3.1
222.75900	1.1
231.17671	1.2
235.16908	4.3
241.19574	2.4
259.20685	4.2
260.19931	1.0
274.62741	1.0
277.21640	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	277.18
Annotation	Sugeonyl acetate
Peak:m/z	Relative Intensity
53.03940	1.7
55.01858	0.9
55.05514	13.5
57.03415	1.1
57.07067	4.4
59.04995	0.9
64.69462	0.9
65.03934	1.7
67.05508	15.2
67.43111	1.0
69.03422	4.5
69.07069	12.8
71.04993	2.4
71.08629	3.5
79.05485	5.1
81.07061	11.8
83.04995	1.9
83.08622	5.7
91.05486	8.3
93.07054	13.5
95.04961	10.5
95.08608	13.6
97.06525	3.7
102.60199	1.1
105.07032	26.3
107.04958	2.6
107.08599	16.0
109.06521	6.4
109.10162	15.6
110.16309	0.9
111.08102	2.5
111.84476	1.0
115.05465	2.2
117.05515	1.5
117.07011	7.0
119.04926	1.0
119.08585	23.1
121.06509	100.0
121.10153	19.1
122.06871	1.4
123.08072	4.4
125.09653	1.1
127.11240	1.4
128.06221	2.8
129.07005	3.3
130.07808	1.1
131.08588	8.5
133.06523	1.5
133.10138	23.3
135.08066	19.1
135.11702	5.1
137.06038	0.9
137.09587	1.1
142.07799	5.4
143.08571	8.1
145.10144	4.3
146.07251	6.4
147.04372	1.3
147.08052	16.3
147.11702	9.4
149.02330	5.3
149.09618	4.6
157.10150	14.9
159.08075	1.9
159.11697	14.5
160.08876	1.8
161.09630	73.2
161.13271	3.5
163.11186	69.6
171.11665	2.3
172.09120	0.9
173.13315	3.0
175.09758	1.8
175.11205	21.4
175.14870	2.9
189.16402	24.5
199.14824	13.6
205.12206	1.6
206.99495	1.1
217.15887	39.7
235.13332	1.1
235.16936	26.7
258.85992	0.9
259.16919	1.5
277.14767	1.9
277.18002	18.5
277.21515	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	277.18
Annotation	Sugeonyl acetate
Peak:m/z	Relative Intensity
55.01879	1.3
55.05518	9.0
57.03428	1.6
57.07063	5.0
67.05505	12.8
69.03421	4.1
69.07087	8.9
71.04998	2.5
71.08628	4.1
79.05494	6.0
81.07069	9.1
83.08620	4.1
83.78022	1.0
91.05487	8.1
93.07050	11.0
95.04980	12.1
95.08620	13.6
97.06547	2.9
98.21629	2.4
105.07039	23.6
107.05002	1.7
107.08608	10.6
109.06509	5.5
109.10166	13.6
111.08075	3.2
115.05486	1.2
117.07018	5.7
119.08601	18.1
121.06514	100.0
121.10152	17.0
123.08068	4.5
125.09554	1.1
128.06207	2.3
129.07039	2.4
130.94206	1.3
131.08571	6.5
131.55476	1.2
133.10150	23.4
135.08067	21.1
135.11693	2.6
142.07813	3.8
143.08589	6.3
145.10098	3.0
146.07324	5.6
147.04506	1.6
147.08049	16.6
147.11699	7.9
149.02327	4.9
149.09612	3.4
156.09367	1.8
157.10129	13.0
159.08109	1.4
159.11684	8.3
160.08862	2.2
161.09631	66.5
161.13261	2.6
163.11191	67.1
171.11702	2.8
173.09610	1.4
173.13335	3.0
175.11214	20.8
175.14799	4.3
189.16393	23.0
199.14812	11.7
205.12254	1.6
217.15887	42.4
234.70206	1.3
235.13278	1.8
235.16920	29.6
277.14737	1.6
277.18005	14.5
277.21515	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	277.1799
Annotation	Spirodysin
Peak:m/z	Relative Intensity
53.03937	1.0
55.05508	6.7
56.25036	0.9
57.03431	1.2
57.07077	4.4
67.05507	11.9
69.03426	3.0
69.07071	11.1
71.04986	2.8
71.08625	2.0
73.69727	0.8
79.05499	9.9
81.07063	14.2
83.04979	3.3
83.08614	4.5
91.05481	11.7
93.07049	20.4
95.04965	3.3
95.08602	12.7
97.06539	2.0
97.10175	1.0
98.20739	2.0
105.07035	25.9
107.04993	1.1
107.08592	21.1
109.06527	7.7
109.10155	13.2
111.08099	1.5
117.06992	3.8
119.08591	14.2
121.06509	33.3
121.10151	13.0
123.08098	4.5
123.11747	1.0
125.09601	1.0
128.06230	2.0
129.06984	1.7
131.04880	1.0
131.08582	5.4
132.05769	0.9
133.06555	1.7
133.10136	22.4
135.08064	28.0
135.11688	9.7
137.09624	7.4
142.07785	2.4
143.08601	5.0
145.06525	1.8
145.10109	4.8
146.07266	10.9
147.08051	16.9
147.11726	7.7
149.02354	14.0
149.09581	2.6
149.13287	3.4
151.03867	1.3
151.11192	0.9
157.10139	7.5
159.08067	9.6
159.11681	5.6
160.08847	3.4
161.09625	100.0
161.13303	2.6
171.11758	1.7
173.09644	3.0
173.13255	3.8
175.07568	2.0
175.11186	18.4
175.14795	5.2
179.10710	0.9
185.13275	0.9
187.14777	0.9
189.12756	1.4
189.16399	6.7
193.08604	2.7
197.40332	0.7
199.14775	6.3
201.12788	3.4
203.05238	0.8
203.07101	1.6
205.15955	0.9
217.12325	2.3
217.15877	25.6
219.13779	1.6
235.13335	3.5
235.16852	4.0
241.19623	1.5
259.17148	1.1
259.20596	2.7
277.14508	2.5
277.17969	13.1
277.21600	15.4
277.28195	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.8
55.01860	2.0
55.05499	2.4
56.05037	8.5
57.03435	4.6
57.07077	1.2
58.16919	0.8
58.99580	5.0
60.79806	0.8
61.02910	1.8
68.05032	0.9
68.91174	0.7
69.03428	19.6
69.65551	4.1
71.05007	1.6
73.02906	3.4
74.02418	1.1
76.02220	4.4
76.03974	2.2
77.88515	0.7
79.05476	0.9
81.02982	1.2
81.03416	10.3
81.07044	1.5
83.93811	0.8
84.04510	1.7
85.01130	40.9
85.02903	42.5
86.99036	2.0
87.02687	1.1
87.04462	16.8
88.02217	1.2
91.03976	1.6
93.07058	1.1
97.02886	12.7
98.21484	1.6
99.04460	5.2
101.02372	2.3
102.03767	75.6
102.05544	49.4
103.03936	2.1
107.04939	0.7
109.02882	6.7
115.03931	47.0
116.01672	12.4
124.65671	1.0
127.03920	28.3
133.04967	2.5
144.01151	2.4
145.04968	13.0
145.06044	1.6
151.03912	1.4
156.08316	0.9
159.33095	0.8
162.02179	3.0
163.05997	1.2
175.03787	0.7
188.03760	14.8
205.06421	100.0
235.16914	1.2
259.08197	2.6
259.11154	1.1
277.09241	1.6
277.12048	2.3
277.15158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.107
Annotation	Ascochitin
Peak:m/z	Relative Intensity
53.03946	0.1
55.01869	0.2
55.05501	0.2
56.96551	0.1
57.03430	0.1
57.07075	0.4
65.03926	0.2
67.01852	0.2
67.05499	0.3
68.99801	0.2
69.03436	0.3
69.07075	0.5
71.04998	0.1
71.53095	0.1
74.31949	0.0
79.05493	0.5
81.03431	0.4
81.07050	0.7
83.01349	0.1
83.86071	0.1
85.02908	0.6
85.06537	0.1
85.73723	0.1
87.04471	0.1
89.03912	0.1
91.05473	0.2
93.03403	0.2
93.07031	0.2
95.04955	0.2
95.08607	0.3
97.02879	0.2
97.06532	1.4
97.20966	0.0
99.04456	0.1
105.03392	0.2
105.07027	0.3
107.04994	0.1
107.08567	0.2
109.02873	0.2
109.06524	0.3
109.10122	0.2
112.09946	0.1
115.03912	0.3
117.03335	0.1
119.08559	0.2
121.02870	0.5
121.06474	0.1
121.10150	0.1
123.04410	0.2
123.08091	0.1
123.11713	0.1
127.03958	0.3
127.07570	0.1
129.06967	0.1
131.08582	0.1
133.02837	0.4
133.06450	0.1
133.10155	0.1
135.04402	0.2
137.02269	0.1
137.05957	0.1
139.03906	0.1
142.07799	0.1
143.08540	0.1
145.02838	0.2
145.04929	0.1
145.10071	0.1
147.04419	0.3
147.07974	0.1
147.11737	0.1
149.02344	1.0
149.05960	0.2
150.03075	0.1
151.03909	0.3
151.07578	0.1
157.06512	0.1
157.10127	0.1
159.04349	0.1
161.02344	0.4
161.06038	0.1
161.09517	0.1
163.03909	0.9
164.04704	0.1
164.08366	0.1
165.01823	0.3
165.05453	0.1
166.02707	0.1
166.09845	0.1
167.01976	0.1
167.03386	1.0
167.08603	0.1
173.02368	0.5
173.05989	0.2
174.06760	0.6
175.03870	0.3
175.07520	0.2
175.11116	0.1
176.04637	0.2
177.01808	0.2
177.05479	1.6
177.16476	0.1
179.03339	0.1
179.10710	0.2
181.04961	0.1
185.09645	0.1
187.03914	0.1
188.08357	0.4
189.05501	0.3
189.09030	0.1
191.03404	0.6
191.07014	1.1
192.04132	0.1
193.04964	0.2
193.08611	1.0
195.02873	0.2
201.05455	1.2
202.06241	2.1
202.08138	0.1
203.03403	0.1
203.07018	0.3
203.10690	1.1
205.04935	0.1
205.08658	0.1
205.12276	0.2
206.05757	0.8
207.02911	0.2
211.09731	0.2
213.09119	0.1
215.07040	0.9
216.07671	0.1
217.05011	0.2
218.05766	0.5
219.06534	6.5
219.10123	0.3
220.07303	1.8
220.10689	0.4
221.04420	0.1
229.03299	0.1
229.04959	2.5
230.05743	2.6
230.09384	0.1
231.10165	11.1
232.10588	0.1
233.08044	0.4
233.11792	0.1
234.06700	0.0
234.08871	1.4
235.17001	0.1
241.08693	0.1
247.06027	6.3
247.09673	3.2
248.06810	8.0
248.10443	7.0
249.07307	0.1
249.11263	0.5
259.09677	6.3
262.08347	0.1
277.10706	100.0
278.11029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0919
Annotation	Ranunculin
Peak:m/z	Relative Intensity
50.79424	0.6
53.03948	3.5
55.01859	2.7
55.57294	0.6
57.03435	8.8
61.02933	5.8
66.17770	0.7
69.03432	43.6
69.81550	4.1
71.01344	2.0
71.05009	4.7
73.02917	6.0
79.05479	0.7
80.69054	0.6
81.03426	22.0
85.02908	90.1
87.04472	39.4
91.03950	2.7
92.33345	0.6
97.02898	26.8
99.04456	8.9
99.05035	1.1
101.02388	5.0
103.03951	4.8
107.05003	0.9
109.02888	14.6
115.03934	100.0
116.01671	1.7
118.06581	1.4
127.03922	53.3
132.08095	0.8
133.04996	4.8
133.06529	0.8
145.04965	25.6
146.06055	2.3
151.03967	0.7
153.01831	2.1
156.08470	0.9
156.10202	1.4
157.04953	0.9
163.06079	1.1
177.00002	0.7
188.07092	3.0
216.06908	1.0
231.11356	0.7
259.06024	0.9
259.08173	6.6
259.11115	2.8
277.15314	0.8
295.45578	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0923
Annotation	Ranunculin
Peak:m/z	Relative Intensity
53.03955	4.1
55.01867	3.4
55.05506	1.9
56.05038	5.7
57.03443	8.3
57.07072	1.3
58.99584	3.2
60.25187	0.7
61.02934	5.6
65.11637	0.8
67.05521	0.9
68.05030	1.0
69.03437	43.9
69.30219	2.7
69.30640	4.3
71.01366	2.5
71.04999	4.3
73.02932	5.8
76.02236	2.4
76.04008	1.6
81.03426	23.5
83.01379	0.8
84.04506	1.2
85.01144	30.4
85.02915	91.6
85.74045	0.9
86.99068	1.8
87.04478	39.3
91.03952	1.6
91.05487	1.0
97.02295	1.6
97.02905	27.8
97.03529	1.5
99.00825	0.8
99.04473	12.2
101.02383	5.2
102.03780	57.4
102.05556	37.3
103.03956	5.2
107.04964	2.4
109.02895	16.7
111.00845	0.8
115.03944	100.0
116.01684	9.0
117.05516	0.8
121.97977	0.7
127.03936	55.0
133.04971	4.2
133.06517	1.1
144.01172	1.4
145.04985	26.8
151.03976	1.5
157.05025	1.0
162.02203	1.7
163.06070	1.0
185.81111	0.8
188.03802	11.8
205.06448	75.0
225.13820	0.8
235.16963	1.2
241.06952	1.1
259.08124	8.2
262.48459	0.8
268.54416	1.0
277.09006	1.0
277.11890	2.1
277.18112	1.7
279.68512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01862	5.0
55.05500	1.0
56.05037	1.1
57.03440	10.4
61.02932	5.5
67.05487	1.2
68.99787	1.8
69.03434	46.7
69.61872	2.9
69.62286	2.7
71.01352	2.3
71.04977	4.4
73.02926	6.6
76.02205	1.4
79.05502	1.1
81.03420	25.8
81.07042	2.8
83.01320	1.2
84.04499	0.9
85.02909	100.0
87.04475	41.4
91.03955	1.7
95.08604	1.3
97.02892	28.0
98.09686	1.3
98.21529	1.0
99.03874	0.9
99.04466	13.6
101.02386	4.8
103.03928	4.2
103.05456	4.6
105.07024	2.6
107.04955	15.2
109.02883	15.2
111.00787	1.5
115.03934	98.1
116.01676	1.2
125.19524	0.9
127.03926	58.5
129.06642	1.8
130.05002	1.4
131.04930	13.0
133.05008	4.8
133.06494	10.3
138.47729	1.0
145.04967	27.9
146.05988	0.9
147.07889	1.3
149.02336	1.4
153.05487	3.1
163.05922	1.0
173.06064	1.2
183.81070	1.0
189.09053	1.5
217.08580	2.0
249.12627	1.2
259.08148	9.1
259.11081	6.5
277.11185	1.1
277.15256	1.7
277.18088	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	277.092
Annotation	Ranunculin
Peak:m/z	Relative Intensity
53.03939	6.2
55.01882	3.6
55.05502	3.0
57.03447	10.5
57.07056	1.8
58.15624	1.4
61.02923	4.3
67.05505	5.5
69.03436	56.0
69.07064	6.4
69.49564	10.6
71.01350	2.6
71.04986	5.9
73.02910	5.3
79.05483	4.1
81.03426	34.3
81.07075	13.7
83.04958	1.8
85.02914	100.0
85.06456	2.5
87.04479	33.8
89.03957	1.8
91.03960	2.2
91.05482	3.2
93.07055	7.7
95.08620	15.3
97.02902	29.0
97.06541	7.7
98.21506	1.7
99.04478	15.0
101.02372	5.0
101.40790	1.4
103.03951	4.8
105.07024	4.0
107.08598	5.9
109.02892	17.8
109.06552	2.2
109.10160	10.2
115.03938	73.5
119.08569	3.4
121.10120	3.8
123.11748	2.5
127.03935	72.2
131.08511	1.9
133.04994	2.5
133.10133	3.9
135.11720	3.9
145.04976	33.3
145.10170	2.1
147.11652	2.7
149.13245	2.7
150.61436	1.5
151.03937	4.7
163.03882	3.1
163.14784	2.0
202.15424	1.7
259.07907	12.1
277.08835	4.4
277.17847	3.7
277.21735	1.8
277.25461	4.2
289.30402	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
54.60114	0.9
55.01876	4.4
55.05511	1.9
56.05027	3.1
57.03438	10.7
57.07066	1.0
58.99581	3.6
60.32720	0.8
60.93377	0.9
61.02921	5.9
63.01886	0.9
63.05153	1.0
67.05494	1.3
68.76987	0.9
68.99773	1.3
69.03434	44.5
69.68256	1.7
69.68661	4.3
71.01355	2.2
71.05000	4.6
73.02917	8.3
74.02435	1.3
76.02231	6.4
79.05490	2.9
80.05019	0.9
81.03423	28.9
81.07063	7.9
84.04486	2.1
85.02909	100.0
86.00652	2.2
86.99076	1.6
87.02696	1.7
87.04475	38.3
88.02213	1.0
89.39747	0.8
90.09240	1.0
91.03960	3.7
91.05477	1.6
91.39916	0.9
95.08608	1.4
97.02895	28.6
98.09692	5.1
98.97591	1.2
99.04453	10.9
99.08059	1.4
100.07640	1.7
100.75261	0.9
101.02380	3.5
102.05542	3.7
103.03944	3.2
103.05444	1.3
105.03417	1.0
105.07045	1.9
107.04987	5.7
109.02888	18.9
110.09715	1.1
112.03973	1.6
113.04240	2.7
115.03934	91.5
116.01708	7.2
117.07030	1.2
118.06528	1.9
123.04407	6.3
123.36473	1.2
127.03922	55.1
130.04974	1.1
130.06885	2.2
131.04927	3.5
132.08115	4.1
133.02847	2.2
133.04942	5.0
133.06497	3.3
144.01169	1.8
144.08110	1.5
145.04970	29.6
146.06003	5.4
146.08142	3.5
147.04434	2.1
147.07919	1.5
151.03954	6.2
151.04961	1.0
153.05463	1.7
156.08405	4.5
156.10254	4.6
157.04964	1.2
162.02205	6.8
163.06050	1.7
179.04868	2.4
188.07089	5.6
189.03307	1.0
189.08989	1.2
213.05450	1.9
216.06891	3.6
217.08502	1.0
241.04895	1.7
259.08218	9.3
259.11148	27.1
277.07089	2.8
277.15433	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	277.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74900	4.8
69.95204	26.7
69.95565	7.6
98.21526	6.8
101.00861	8.0
117.34371	4.9
119.01901	7.7
134.01006	5.1
156.88992	5.7
157.03369	6.2
161.03012	8.4
166.92122	5.2
182.04437	5.4
277.00449	10.3
277.03223	100.0
277.07550	17.6
295.08804	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	277.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31784	8.6
56.96556	29.9
59.18919	9.0
61.02909	14.0
62.14008	8.3
67.18096	8.3
67.68203	9.3
69.83678	42.4
70.98113	14.6
84.54906	8.1
84.96039	10.7
85.02879	13.1
97.54224	8.2
98.97585	53.0
101.00910	14.1
109.55087	9.1
110.97569	24.8
112.99107	13.2
113.41310	9.6
116.07101	34.2
116.98634	14.1
119.01900	18.1
143.01894	20.0
146.99629	13.1
157.03514	9.8
161.03009	22.3
177.00734	10.8
211.71085	9.0
219.01830	10.2
223.01262	9.3
237.02791	18.7
277.03320	100.0
277.07483	52.8
295.09045	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.7
58.02962	0.4
60.04264	0.3
60.04528	4.2
61.02924	0.5
62.35680	0.3
65.13670	0.3
67.05502	0.8
68.05018	0.7
69.07075	16.1
69.86908	0.5
69.87310	0.9
70.06594	2.2
71.08633	0.5
72.04531	0.4
74.02435	0.6
74.06090	0.4
79.05522	0.4
81.07081	0.5
84.04493	1.2
84.08144	0.5
85.02885	1.1
85.06532	0.4
85.08928	1.7
86.09713	13.2
89.31004	0.3
91.05476	0.6
93.07037	0.5
95.04897	0.3
95.08602	0.8
95.20297	0.3
96.04476	0.9
96.08135	4.0
97.02893	0.4
97.06545	0.8
98.09710	1.0
100.11232	0.3
102.05537	1.2
103.03972	1.5
104.07099	0.4
105.07036	0.6
107.04974	0.4
107.08611	0.7
108.05247	0.5
110.09655	0.3
111.08098	0.6
112.04019	0.3
119.08607	0.4
120.06586	15.0
123.04431	4.8
124.04770	4.6
126.09156	0.5
127.03959	0.4
128.10725	6.2
130.05017	1.0
131.08582	0.3
132.06573	0.7
132.95807	0.7
135.08046	0.3
140.07039	0.7
140.10690	0.6
142.08656	2.4
147.04424	0.4
148.04868	0.6
148.06050	9.5
150.05370	0.3
150.96927	0.4
153.01979	0.3
153.05482	0.4
154.02150	0.9
154.05858	0.6
154.12244	0.3
155.02292	1.7
156.02649	1.4
160.06049	0.8
165.05455	0.4
170.11748	1.4
174.96883	1.8
188.12843	7.3
194.11751	0.5
198.11235	0.4
201.90439	0.3
216.12325	100.0
217.12546	0.3
248.15208	0.4
276.08377	2.8
276.14438	16.9
276.19687	2.5
277.10754	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2734
Annotation	Kaurane
Peak:m/z	Relative Intensity
53.03940	1.4
55.05516	10.7
57.07073	8.3
67.05508	22.3
69.07072	24.9
70.48473	3.1
71.08621	3.0
79.05486	10.4
81.07059	100.0
83.08625	11.7
91.05478	4.1
93.07042	11.9
93.44225	1.0
95.08611	74.4
97.10172	7.7
105.07034	2.8
107.08596	15.5
109.10165	44.7
111.11720	8.4
119.08572	2.3
121.10149	8.5
123.11713	23.0
125.13293	2.2
133.10121	2.1
135.08116	1.2
135.11710	9.1
137.13271	8.1
145.10167	1.3
147.11713	1.1
149.13278	7.1
151.14818	5.7
163.14835	5.2
165.16444	2.1
170.52611	1.1
177.16394	2.5
181.06126	0.9
219.21028	1.4
257.26733	1.2
275.04929	1.8
275.20184	6.7
275.27414	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
56.05032	0.6
57.03426	0.5
59.33365	0.2
60.04529	3.0
67.05496	0.8
68.05028	2.9
69.03416	1.2
69.07069	23.9
70.06586	1.9
70.84679	0.3
70.85011	0.6
72.04516	0.4
73.02898	0.4
74.02431	2.4
74.06063	0.3
79.05479	0.3
80.05038	0.4
81.07041	0.3
84.04506	4.3
84.08106	0.4
85.02893	0.9
85.08923	1.6
86.06065	0.7
86.09711	5.5
92.49152	0.3
94.06574	0.3
96.04500	0.4
96.08135	4.7
97.06494	0.3
98.06049	0.4
98.09679	0.5
102.05542	1.7
103.03915	1.4
108.08094	0.4
108.08884	0.3
109.10159	0.3
110.09665	0.4
112.03968	1.3
120.06583	14.1
122.09612	0.4
124.11240	0.6
124.31391	0.3
126.09113	0.4
128.10713	4.2
130.05005	0.8
132.95818	0.6
136.11201	0.5
137.14684	0.3
142.08650	3.5
142.12256	0.5
144.10210	0.7
144.95769	0.3
146.11763	1.0
148.06052	12.6
152.10722	0.6
154.12273	1.3
160.06032	1.8
166.74121	0.3
170.11832	0.7
174.07607	0.3
174.96899	0.7
188.12828	4.0
198.11247	0.6
202.12343	0.4
216.12317	100.0
217.12695	0.3
248.14906	0.9
259.59976	0.4
268.21240	0.3
276.14426	13.6
276.19653	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03941	1.8
55.01877	13.7
55.05518	16.1
57.03437	1.1
57.07073	1.6
67.05505	21.5
69.03450	1.1
69.07069	14.4
70.06564	1.7
71.04963	1.8
71.53088	1.6
71.91525	1.3
79.05496	23.1
81.03429	2.6
81.07063	39.6
83.04969	2.6
83.08623	5.5
85.06544	2.0
91.05488	48.6
93.07052	21.1
95.01334	2.0
95.04967	4.9
95.08619	19.1
97.05930	1.6
97.06544	21.8
97.10176	3.2
103.05450	2.0
103.16689	0.9
105.07038	79.5
107.04964	7.2
107.08585	10.0
109.06519	3.9
109.10149	5.9
111.08081	22.0
117.07025	9.4
119.08591	38.2
121.06507	1.6
121.10151	6.4
123.08101	11.0
123.11727	3.0
125.09641	1.6
129.07008	2.0
129.22537	1.2
131.08588	17.7
133.09120	2.6
133.10138	52.5
135.08083	3.0
135.11725	3.7
137.09641	7.1
139.07510	1.9
143.08574	3.0
145.10141	15.7
147.11700	21.9
149.09650	7.8
151.11208	2.6
157.10078	2.6
159.11722	7.3
161.09650	1.4
161.13264	4.4
163.11221	3.7
165.09114	3.0
169.10168	2.3
171.11658	2.3
173.13272	3.7
177.12727	1.5
179.14320	4.3
183.11674	1.5
189.12714	1.4
197.13284	2.0
201.12700	1.3
220.49272	1.2
220.51505	1.1
229.19473	2.3
233.15483	1.4
239.18085	2.7
247.20532	4.8
254.91759	1.2
257.19040	9.0
257.22375	1.5
275.04736	1.5
275.20087	100.0
275.23471	4.9
275.27786	8.8
276.20480	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.00774	1.0
55.05510	4.3
57.07074	1.8
67.05509	5.7
69.03417	2.2
69.07072	13.1
71.04974	3.2
71.53323	1.3
77.35802	0.9
79.05488	3.6
80.99450	1.0
81.07063	7.8
82.18530	1.0
83.04956	1.7
83.08613	2.6
85.06527	3.9
87.93076	0.9
89.69778	1.2
91.05489	7.1
93.07042	10.7
95.04977	3.2
95.08617	7.7
97.06544	2.5
105.07033	8.8
107.08582	7.6
109.06516	3.1
109.10181	7.4
111.08088	20.5
113.09642	4.7
116.06257	1.3
117.07014	1.2
119.08586	10.0
121.06516	3.3
121.10142	6.2
122.07265	3.0
123.08075	13.9
123.11678	3.1
129.06985	1.6
131.08569	9.1
133.10143	7.5
135.08067	21.5
135.11681	2.8
137.09663	2.8
139.11197	2.9
142.07774	1.3
143.08577	2.2
145.10127	8.4
147.08051	1.3
147.11719	5.8
149.09596	3.4
149.13286	1.8
156.09325	2.8
157.10130	4.1
159.08138	1.1
159.11711	9.6
161.09654	3.1
161.13287	1.1
163.11194	3.0
165.12761	2.5
169.10085	1.5
171.11688	19.0
173.13266	5.8
175.14836	2.9
176.12001	4.0
177.12701	2.0
181.12245	14.2
183.11632	2.5
187.14854	2.2
189.12759	2.6
189.16371	1.4
191.14319	100.0
197.13222	1.6
199.14841	7.5
201.12695	2.1
213.16426	1.5
215.17986	4.2
215.93346	1.2
217.15863	6.1
239.18002	1.6
240.32549	1.1
257.19028	14.0
275.04810	1.2
275.20081	56.5
275.27740	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	275.2009
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03950	1.6
55.01866	2.3
55.05273	0.8
55.05519	10.6
57.03449	3.6
57.07065	1.4
65.03932	1.3
67.05183	1.3
67.05513	17.7
69.03417	0.9
69.07073	8.0
69.92266	0.7
70.06593	2.6
71.04990	2.2
71.06925	0.6
79.05075	1.1
79.05506	19.2
81.03451	1.1
81.07066	24.7
83.04982	2.6
83.08620	3.5
85.06541	0.9
88.07645	2.2
89.07968	1.1
91.05490	31.8
93.07059	18.6
95.05006	3.8
95.05476	0.7
95.08620	13.4
97.06553	2.5
97.10162	1.6
98.73641	0.7
99.08154	0.7
103.05461	1.5
105.07048	47.3
106.08647	1.0
107.04967	4.3
107.08605	14.6
109.06525	5.4
109.10184	5.6
111.08083	2.1
114.58727	0.6
115.05443	0.9
117.07038	7.6
119.08598	31.7
121.06527	3.3
121.10144	6.9
123.08094	5.3
123.11723	1.4
125.09605	0.8
129.07027	2.6
130.07864	0.8
131.08583	12.1
133.06509	0.8
133.10146	38.5
135.08075	6.0
135.11726	6.3
137.09607	2.9
139.11284	0.7
141.07034	1.3
143.08571	2.3
144.09375	0.9
145.10135	10.9
146.10976	0.7
147.08113	1.0
147.11693	14.4
149.09656	4.4
149.13319	1.5
151.07492	0.7
151.11258	1.2
155.08493	1.6
157.10156	3.4
159.11711	7.0
161.09636	1.7
161.13260	3.7
163.09978	0.7
163.11198	3.6
163.14745	0.7
165.12938	0.7
169.10150	1.6
171.11719	3.7
173.13284	5.6
175.11215	1.8
175.14848	1.6
177.12727	1.9
183.11719	2.7
185.13223	2.6
187.11249	1.2
187.14809	1.1
189.12704	1.2
191.14247	1.0
197.13268	2.7
199.14891	0.9
201.12781	1.5
201.16365	1.6
203.14340	2.1
211.14928	0.9
215.14319	1.2
219.17395	1.1
229.01637	0.7
229.19553	2.1
231.17267	0.7
233.15430	1.4
239.17992	6.3
247.17039	0.7
247.20605	4.8
255.71713	0.6
257.19034	10.5
275.20096	100.0
275.27789	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03933	2.0
53.75033	1.0
55.01875	2.3
55.05518	11.1
57.03425	3.5
57.07079	2.4
59.04987	1.1
61.44812	1.0
64.80485	0.9
65.03954	0.9
66.08901	0.9
67.05508	17.6
69.03436	1.3
69.07071	8.6
70.06596	3.0
71.04983	4.3
71.39094	1.4
72.89742	0.9
79.05499	19.9
81.07062	26.5
83.04990	2.5
83.08640	5.6
85.06534	2.6
88.07623	1.5
90.03277	1.0
91.05486	32.7
91.16668	1.0
93.07050	21.3
95.05006	4.6
95.05496	0.9
95.08617	16.2
97.06553	2.4
99.08112	1.0
103.05457	1.7
105.07038	45.7
107.04991	4.7
107.08598	16.3
107.74654	0.9
109.06516	9.8
109.10159	5.7
111.08098	6.2
115.05389	0.9
117.07029	11.1
119.08588	34.3
121.06503	3.1
121.10161	10.8
123.08072	4.3
123.11700	3.2
125.09628	1.2
129.06995	3.7
130.07817	2.0
131.08574	17.5
133.06505	1.1
133.10139	31.6
135.08072	8.7
135.11676	5.6
137.09587	3.4
141.07056	1.1
142.07771	2.2
143.08560	6.3
144.09412	1.4
145.10133	17.4
147.08028	2.0
147.11708	17.4
149.09628	6.7
149.13278	1.9
151.11162	1.1
155.08545	1.3
156.09416	1.3
157.10164	8.9
158.10936	1.9
159.08014	1.7
159.11688	16.2
161.09662	2.8
161.13298	6.1
163.11188	4.1
163.14812	1.2
165.12794	0.9
167.96735	1.0
169.10176	3.3
171.11688	3.9
173.13295	16.3
174.14050	2.2
175.11209	4.4
175.14828	3.2
177.12788	3.5
183.11696	5.1
185.13231	3.9
187.11205	2.3
187.14862	3.8
189.12831	1.9
191.14313	1.9
197.13300	3.9
199.14789	5.6
201.12766	3.5
201.16417	1.3
203.14372	2.5
213.16331	2.0
215.14426	2.1
215.17911	2.0
217.15860	1.1
219.13829	1.1
224.15707	1.0
229.15773	1.1
229.19566	2.2
239.17949	6.7
247.20605	2.7
257.19009	15.1
275.20084	100.0
275.27774	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	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
52.49174	0.6
53.03934	2.2
55.01882	4.7
55.05516	20.8
57.03437	1.4
57.07071	1.3
59.04987	1.0
65.03940	1.2
66.68314	0.5
67.05508	25.7
69.03446	1.3
69.07067	7.8
70.65366	1.6
71.04982	2.3
77.03917	0.8
79.05497	36.6
81.03413	1.1
81.06590	1.1
81.07059	21.1
83.04989	3.1
83.08624	4.8
85.06519	1.8
88.07615	0.8
90.47829	0.5
91.05485	30.5
93.07051	21.1
95.04965	3.2
95.08058	0.8
95.08611	9.9
97.06528	3.5
97.10163	3.9
99.08089	0.9
103.05466	1.3
105.04535	0.6
105.07037	40.7
107.04965	24.3
107.08596	24.7
109.06545	2.8
109.09471	1.0
109.10161	12.4
111.08071	2.1
115.05447	0.9
117.07023	10.6
119.08584	23.9
121.06512	3.1
121.10151	12.1
123.08059	1.4
123.11708	2.7
125.09631	4.0
127.26060	0.6
129.06999	2.0
131.08577	12.9
133.06461	0.9
133.10135	26.1
135.08055	4.5
135.11748	3.0
137.09572	1.1
141.06950	0.8
143.08571	1.9
145.09077	0.8
145.10139	12.0
147.08022	0.9
147.11690	19.5
149.09625	44.6
149.13261	1.2
151.11182	0.5
153.09108	2.3
155.08609	1.2
155.10645	1.1
157.10117	2.3
159.08073	0.8
159.11707	9.3
161.09624	1.2
161.13266	7.2
163.11168	2.1
167.10689	0.7
169.10112	1.6
169.12236	2.2
171.11684	2.4
173.11749	2.8
173.13264	4.7
175.11118	0.8
175.14812	0.7
177.12782	1.0
179.10710	0.9
183.11678	2.4
185.13329	0.7
187.11220	2.7
187.13239	1.3
187.14832	1.4
188.54681	0.6
197.13254	2.3
201.12738	0.6
205.12204	0.7
215.14291	1.5
215.17953	2.2
229.19527	6.2
233.15353	1.5
239.17989	2.8
247.20634	2.1
257.19012	16.2
275.04865	1.4
275.20068	100.0
275.27826	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	275.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.9
60.00006	0.4
67.05508	1.1
69.07069	9.7
70.53375	1.6
71.04994	0.5
73.06556	0.5
73.94001	0.5
81.07061	0.7
84.04507	39.8
85.02916	0.9
85.06544	0.8
86.09707	100.0
91.05482	1.0
93.07059	0.5
94.39697	0.4
95.04974	0.5
97.06474	0.5
102.05529	1.6
107.04947	1.3
107.08591	0.6
130.05011	8.2
142.16478	0.5
146.11765	56.1
152.10675	0.8
163.03864	0.7
184.13283	3.2
198.11221	3.3
201.69061	0.4
212.12819	4.3
243.13385	1.6
249.98717	0.4
257.07959	0.5
258.13367	6.5
275.05316	0.6
275.09540	0.6
275.16080	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	275.0914
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.02374	0.1
53.03933	0.5
53.44263	0.1
60.10834	0.1
67.01855	0.3
67.05487	0.1
70.04529	0.1
70.04827	0.5
73.57491	0.1
77.03918	0.2
79.05495	0.8
85.02888	0.2
95.04974	0.5
105.04531	0.3
107.04956	100.0
108.05277	0.3
119.08619	0.1
121.06496	0.3
121.97578	0.1
123.04456	0.4
127.03927	0.9
139.04010	0.1
141.05127	0.1
145.83711	0.1
149.05977	1.1
151.03893	1.3
155.03377	0.1
169.04968	11.5
181.05005	0.1
204.28424	0.1
275.09131	3.1
275.11926	0.2
275.20166	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	275.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
55.05511	0.8
56.96566	40.1
57.03435	2.2
57.97361	0.6
58.99854	1.0
61.02927	2.3
67.05504	0.8
69.03433	5.1
69.07069	0.9
69.18504	1.9
69.18921	3.6
70.06589	0.9
70.98122	5.2
71.04990	1.3
71.95261	2.9
72.08151	0.9
72.96078	0.9
73.02928	3.1
74.97617	2.0
76.02217	1.9
79.05502	0.8
81.03410	2.8
81.04532	0.6
81.07073	0.9
84.08134	1.6
84.61386	0.6
84.96029	5.6
85.02908	7.9
87.04458	1.2
88.73358	0.5
88.99162	2.0
91.05486	6.5
94.04217	0.6
95.04967	0.6
95.06086	0.7
95.60593	0.5
97.02886	5.7
97.06535	5.7
97.96811	0.7
98.97588	92.1
99.04426	0.7
100.99159	1.5
101.00887	3.5
102.53156	0.9
102.96928	1.2
104.65842	0.6
107.04980	2.2
109.02876	1.5
110.97579	5.7
111.05577	1.6
112.07583	3.9
112.99155	1.4
113.00857	0.8
113.02364	4.8
115.00719	1.2
116.01699	0.6
116.98624	48.6
119.01898	6.8
119.04942	4.8
121.02873	0.8
123.04520	0.7
123.05544	1.2
124.00181	0.6
124.95473	0.6
124.99118	2.6
125.07111	1.4
127.00662	1.5
127.02374	1.1
127.03917	2.3
128.98621	6.7
129.02277	2.7
130.08641	5.5
130.93300	0.9
131.00160	1.3
131.01900	1.7
133.03561	0.7
134.99661	19.2
135.04413	0.8
137.02983	0.6
137.05988	7.4
138.06366	0.6
139.02388	1.0
139.03908	1.8
140.00157	1.0
140.98624	1.3
141.06622	2.3
142.96400	0.6
143.00137	6.1
143.01932	1.6
143.03758	4.5
144.98116	2.1
145.01714	2.0
145.03479	3.2
145.04982	1.3
146.98573	0.9
146.99641	5.2
147.03304	2.0
147.04405	12.8
148.04745	1.5
151.07547	0.7
153.00697	1.5
153.01881	2.1
154.96468	1.2
155.01990	0.8
156.03357	1.2
156.98073	0.6
157.03496	1.5
157.07590	1.0
158.99670	7.4
160.69568	0.6
161.01231	6.1
161.02957	1.7
161.04848	5.9
162.02180	1.6
162.99164	3.5
163.02779	2.3
163.03967	2.0
165.00731	2.5
165.04311	0.8
168.03375	1.0
169.02083	0.5
169.03471	3.1
170.99686	1.3
171.03302	1.7
172.01376	0.6
172.94414	1.6
172.97578	4.9
173.01244	2.9
173.02831	0.7
174.04385	1.6
174.55144	1.0
174.99159	1.5
177.00725	5.8
179.02423	0.7
179.04832	1.8
179.07135	1.3
181.00172	1.2
184.06398	0.9
185.01280	0.7
185.02956	1.6
185.06593	1.4
186.04395	3.1
186.99155	3.2
187.02815	1.8
187.04556	4.0
188.97112	1.0
189.00731	1.7
189.02570	0.8
189.04283	3.2
190.95425	1.5
190.96933	1.0
190.98640	9.0
191.02272	8.5
191.03830	0.9
191.05865	0.6
193.00133	0.8
193.04346	0.7
197.02977	0.7
199.04405	1.7
201.00723	1.3
203.02240	1.2
203.03986	1.1
204.05424	1.2
205.00214	8.6
205.01997	1.0
205.03777	5.8
205.05464	0.6
207.01758	2.3
207.05270	1.3
208.04936	12.4
208.55084	2.9
208.99744	1.9
209.03333	7.6
209.05391	1.1
210.58083	9.2
210.99069	0.6
211.00932	0.9
213.04361	2.1
214.95517	0.8
214.98705	1.2
215.02251	3.1
215.04047	1.3
217.05490	7.1
217.55673	1.5
218.98236	1.4
219.01744	1.9
219.55777	1.6
221.05077	1.2
223.01208	3.1
223.04930	1.2
227.02310	0.9
229.00067	1.3
229.01971	2.1
229.05461	2.6
231.01817	1.2
231.05460	2.8
232.96550	2.4
232.99678	6.4
233.03235	8.6
235.02812	1.3
237.02856	3.1
243.05240	0.9
247.03006	4.5
247.06795	1.4
251.00732	4.8
251.04449	6.0
252.03578	4.8
256.96451	5.0
257.09308	1.1
257.14890	2.8
266.05267	0.7
267.01755	0.6
269.05533	2.2
270.04617	4.2
274.97528	30.4
275.11011	100.0
275.16000	2.5
285.02560	0.7
292.98599	10.9
293.01776	0.8
293.05301	0.9
297.99121	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05542	0.4
56.96574	3.0
58.99870	0.6
63.22175	0.4
65.03934	1.2
67.05516	1.8
68.98312	0.6
69.03440	0.9
69.36715	0.4
69.83564	2.2
70.20497	0.3
70.99879	0.4
71.50077	0.4
78.26517	0.3
80.97675	0.4
82.99839	5.9
83.00290	0.4
83.04985	1.3
84.93936	0.4
85.01421	0.9
86.99349	0.7
93.03426	1.2
95.04977	1.8
97.01391	0.5
97.02895	1.2
98.20835	0.5
98.97596	8.9
101.00891	42.2
103.02459	1.0
107.03499	0.7
109.01356	2.0
111.02954	0.7
111.04433	1.1
113.00899	1.2
115.02458	1.1
116.98608	2.7
119.01934	50.7
121.02884	4.6
124.99163	0.9
125.04533	0.9
127.02431	18.1
129.00343	0.5
129.04004	0.9
131.01942	0.7
133.03488	1.6
134.99706	0.4
137.02979	6.0
139.02431	1.6
139.03883	1.1
140.49084	0.3
141.03947	0.8
142.03491	0.5
143.00191	0.9
143.01903	5.1
143.05571	0.9
144.98140	0.4
145.03479	32.7
147.01402	1.2
151.02402	2.3
153.03979	2.5
153.09460	0.4
154.01105	0.4
155.01950	0.7
156.96629	0.5
157.03474	9.4
159.01416	0.6
159.05037	1.6
161.01094	0.4
161.01639	0.6
161.02962	6.6
161.06520	0.7
162.99187	0.5
163.04494	0.9
167.01930	2.7
167.05594	0.5
169.03479	53.9
170.99963	0.6
171.01372	2.9
171.05046	7.7
173.02922	0.5
175.04524	2.2
177.03984	0.6
179.01904	1.6
183.05043	1.2
185.02985	21.3
185.06589	1.5
187.04536	51.6
188.04790	0.5
189.02487	5.7
189.06078	0.9
193.03485	1.1
195.05038	4.8
196.97899	0.6
197.02982	11.6
203.02057	1.0
203.04063	3.7
205.05618	4.7
207.03561	1.2
208.98001	0.5
210.06102	1.0
211.04546	3.6
213.02477	1.8
213.06116	2.3
215.00406	1.0
215.04016	10.4
217.98376	0.7
221.02951	4.3
221.99539	0.8
229.05597	36.7
229.98463	0.5
231.03490	2.7
231.07346	0.4
231.50021	0.7
233.01462	1.1
233.05087	0.9
239.03984	2.2
247.06667	14.6
249.04669	0.7
256.96680	0.5
257.05121	3.2
274.97586	1.7
275.06140	100.0
276.06271	1.1
292.98633	0.4
293.04031	0.8
293.07190	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	275.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44062	0.8
56.96569	39.8
56.96851	2.3
60.12775	0.9
66.08952	0.8
69.03433	1.2
70.09715	4.3
70.97733	1.8
70.98125	37.1
71.95272	2.7
73.18195	0.9
84.96040	1.2
85.02908	2.2
88.99174	6.4
98.20805	0.9
98.97591	100.0
101.00906	2.2
106.64341	1.0
110.01543	0.9
110.97572	3.1
113.02380	1.1
116.98626	25.2
119.01910	1.9
125.07041	1.1
128.98615	9.5
130.93297	1.2
134.99666	3.8
140.00249	0.9
143.00208	2.1
146.99654	10.7
147.04333	1.0
154.96541	17.0
159.92419	0.9
165.00742	3.1
169.03566	1.6
170.96066	1.1
172.94379	3.2
172.97600	39.4
173.60258	1.0
174.99219	1.4
182.96028	1.3
185.03075	1.2
186.99144	3.4
187.04492	1.7
188.97121	1.6
190.98648	33.4
193.00311	1.3
200.97098	7.8
205.00166	5.4
208.99739	2.8
214.95499	2.8
214.98618	7.4
218.98151	12.3
219.70590	0.9
223.01251	2.2
229.05675	1.2
232.96420	2.2
232.99699	34.0
236.99194	2.7
247.06802	1.1
251.00769	14.6
256.01117	1.0
256.96436	13.7
274.97534	58.8
275.01334	3.2
275.06155	3.2
292.98618	23.7
293.01865	1.2
297.99286	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	7.9
56.96850	0.5
69.85869	0.9
69.86275	0.5
70.95863	0.6
71.95271	2.5
77.35545	0.2
81.12646	0.2
89.12720	0.2
98.97596	100.0
101.00894	0.3
116.98634	34.8
119.01944	0.3
121.81364	0.2
128.07092	0.2
130.93306	1.2
134.99677	7.1
140.00224	0.8
148.94347	0.3
153.00792	0.4
154.93413	0.2
157.03412	0.4
158.01283	0.3
161.02975	0.3
169.03503	0.2
172.94376	5.7
175.04530	0.3
183.56419	0.2
184.03149	0.2
190.95441	2.7
197.95187	0.3
203.02550	0.2
208.96205	0.8
214.95404	2.6
216.98853	0.2
230.98503	0.3
232.96460	5.4
234.99657	0.3
250.97491	1.8
256.96469	15.6
258.99957	0.3
274.97525	73.8
288.14508	0.2
292.98584	27.5
297.99106	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
51.63419	0.8
55.05512	9.2
55.42610	1.0
57.07066	2.6
60.32450	0.9
63.50062	0.9
65.63394	0.8
67.05511	10.2
69.07072	34.6
70.92791	2.2
71.08634	1.3
75.02978	0.9
79.05497	6.2
81.06596	1.5
81.07064	28.5
83.08626	8.8
91.05479	4.5
93.07047	21.4
95.08615	30.7
97.10187	5.0
97.14155	0.8
102.18158	0.9
105.07043	8.2
107.08600	42.2
109.10160	23.7
111.11718	4.0
119.08588	8.2
121.10154	27.8
121.11028	1.3
123.11725	9.0
125.13242	1.2
133.09258	0.9
133.10124	6.2
135.11702	14.4
137.13264	2.3
147.11731	5.8
149.13266	34.8
161.13266	6.4
163.14830	100.0
175.14822	5.6
177.16385	8.7
189.16370	4.9
189.76788	0.9
191.17949	18.5
199.47823	0.9
203.17928	7.1
217.19487	9.4
231.21063	2.1
273.23184	2.5
273.25781	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
52.11868	1.0
52.79282	0.7
52.97861	0.9
53.03934	1.3
55.05271	1.4
55.05517	14.6
57.06871	0.7
57.07079	7.7
67.05514	22.6
69.07076	31.5
70.70381	1.2
71.08630	2.4
79.05497	12.7
80.37456	0.9
80.57329	0.7
81.07066	71.3
82.99427	0.9
83.08634	13.6
85.51225	0.9
90.10446	0.9
91.05488	10.7
93.07053	31.8
95.08616	66.5
97.10180	11.1
98.21381	0.9
99.92713	0.9
105.07039	23.4
107.08605	47.1
109.10165	53.7
111.11754	5.0
119.07772	0.7
119.08591	18.7
121.10155	47.6
123.11721	44.9
125.13284	2.0
133.10144	14.3
135.11703	30.7
137.12326	1.2
137.13274	12.6
145.10136	1.4
147.11702	18.3
149.13272	49.1
151.14819	7.1
159.11671	1.3
160.12347	0.8
161.13264	28.3
161.14598	1.6
162.61143	0.9
163.14839	29.2
165.16391	3.2
175.14871	13.2
177.16408	20.0
179.17944	1.4
189.16399	20.5
191.17973	12.3
203.17979	20.6
217.19547	27.4
231.21013	4.0
235.40103	0.9
262.24960	0.9
273.25797	100.0
291.72684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2216
Annotation	androstenone
Peak:m/z	Relative Intensity
53.03951	1.6
55.05517	7.1
57.07070	3.8
59.07594	1.1
67.05510	13.8
69.07072	9.5
70.31057	3.8
79.05502	10.3
81.07063	30.4
83.04958	1.5
83.08632	4.7
91.05478	10.9
93.06485	1.9
93.07054	33.6
95.04977	1.5
95.08617	49.9
97.06522	3.4
97.10178	2.0
105.07043	28.9
107.08606	42.9
109.06531	4.5
109.10174	20.1
111.04465	0.9
111.08088	2.7
117.07016	4.8
119.08591	25.4
121.06516	6.6
121.09325	1.6
121.10152	21.4
123.08093	8.8
123.11720	7.2
125.09636	3.0
125.34250	1.0
128.06253	1.4
129.07008	3.0
131.08585	13.8
133.10139	17.3
134.95169	0.9
135.08057	2.7
135.11705	9.9
137.09634	8.4
137.13242	3.3
139.11165	1.0
142.07820	1.5
143.08586	9.5
144.09358	2.5
145.10147	17.5
147.11697	16.5
149.09616	2.0
149.13278	15.4
151.11205	1.5
156.09407	1.8
157.10139	12.7
159.11716	14.7
161.09634	1.4
161.13274	13.4
163.11186	1.8
163.14859	2.9
165.12766	2.5
170.10912	1.2
171.11688	10.5
173.13315	11.0
175.14865	9.1
177.12749	1.9
179.14224	1.2
183.11630	1.5
184.12517	1.2
185.13271	13.3
187.14816	4.9
189.12831	2.4
189.16389	4.2
191.14372	1.4
197.13368	1.7
199.14873	14.4
201.16389	4.4
203.14359	7.0
203.17961	2.0
213.16426	8.0
215.18030	6.0
217.15892	4.2
227.17973	4.4
229.19591	1.6
243.21085	1.5
245.22733	3.3
255.17311	1.3
255.21111	43.0
273.18851	3.4
273.22147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.05502	0.7
57.07052	0.4
65.03930	0.2
65.86547	0.2
67.05521	1.3
69.07069	1.4
70.06585	0.2
71.43109	0.2
71.77568	0.2
78.04700	0.3
79.05496	1.0
81.03401	0.4
81.07049	2.1
83.04982	0.3
83.08611	0.8
87.58927	0.2
91.05479	2.5
93.07052	1.5
95.04973	0.5
95.08609	2.0
98.20752	0.7
98.97584	0.8
100.72395	0.2
105.07042	1.2
106.04200	0.3
107.08617	1.7
109.10154	1.4
112.03983	0.2
116.98611	0.3
117.07027	0.2
117.80323	0.2
119.04957	0.3
119.08597	1.0
121.06508	100.0
121.10082	1.2
123.04438	0.9
123.11735	0.5
128.06247	0.2
131.05003	0.2
131.08571	0.3
133.10147	1.0
135.04446	0.4
135.11722	1.1
137.02362	2.1
144.05739	0.5
145.02821	0.3
145.06506	0.9
145.10144	0.3
147.04404	0.7
147.11713	1.1
149.13298	0.7
153.01837	1.4
157.10193	0.3
159.08057	0.3
161.05988	0.4
161.13252	0.6
163.03926	1.7
163.14864	0.4
170.11815	0.3
175.14816	0.3
177.00711	0.3
177.16379	0.4
189.16333	0.5
191.18036	0.3
203.17876	0.3
217.19482	0.3
223.45244	0.2
229.04950	0.3
231.82010	0.2
253.35614	0.3
255.06615	0.3
255.14047	0.3
264.14899	0.3
264.87717	0.2
273.07498	3.8
273.11292	1.2
273.14807	1.6
273.18542	0.6
273.22763	0.4
273.25836	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	273.076
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.78646	0.2
58.25010	0.2
65.03960	0.2
67.01871	1.9
68.99788	1.6
69.03435	1.4
70.97558	0.5
72.72826	0.2
77.02610	0.2
77.23943	0.2
79.62688	0.2
83.01335	0.6
83.04956	0.2
85.02884	0.2
85.38268	0.2
91.05489	6.7
95.04986	2.0
97.02893	0.9
107.04958	1.9
111.00800	0.6
119.04951	16.9
121.06493	0.6
123.04439	4.0
123.05314	0.2
147.04420	43.7
149.13181	0.2
151.03923	0.7
153.01839	100.0
154.02184	0.3
161.06018	0.3
171.02933	1.6
179.03427	0.6
189.05470	0.9
213.12790	0.2
231.06526	0.5
255.06636	0.5
273.07581	76.0
274.07855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.20537	0.7
52.05119	0.6
56.55508	0.7
59.13490	0.5
59.22929	0.6
65.90273	0.7
67.01865	2.6
67.05508	1.1
68.99802	2.8
69.03408	1.6
69.07053	0.9
70.06237	2.0
79.05480	0.7
81.07053	1.2
83.04974	0.8
85.02916	1.0
91.05486	5.7
93.07058	0.7
95.04987	1.6
95.08601	1.2
97.02913	0.9
105.07005	1.0
107.04960	7.0
107.08591	0.9
109.10157	1.1
111.04448	0.9
117.06989	0.8
119.04961	14.5
121.02891	1.8
121.06529	0.9
122.15625	0.6
123.04434	5.4
123.11706	0.6
131.04854	0.7
131.08543	0.7
135.04449	1.2
145.06526	1.0
145.10205	0.7
147.04430	47.6
151.03833	0.7
153.01845	100.0
154.02223	0.7
155.08513	0.7
157.06516	0.8
161.13332	0.6
165.06946	0.9
167.51709	0.8
171.02911	4.5
171.04355	1.1
173.13232	0.7
179.03368	1.2
189.05479	2.5
229.08623	21.1
255.06511	1.0
255.10260	2.8
273.07584	95.9
273.11209	33.8
286.69946	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	Butein
Peak:m/z	Relative Intensity
53.03951	0.6
54.64852	0.2
55.01884	0.2
63.02388	0.4
65.03942	0.7
68.99781	1.9
69.03472	0.2
79.05499	0.7
81.03425	6.5
84.61689	0.2
89.03918	3.7
93.03419	1.0
96.02113	0.9
107.04964	2.5
109.02892	1.0
111.04446	1.9
117.03388	9.5
123.04436	1.9
127.03912	0.5
129.06996	0.4
135.04424	11.4
135.49623	0.2
137.02347	100.0
138.02675	0.4
139.03938	1.3
141.07022	0.5
145.02855	9.9
145.04008	0.5
147.04385	0.3
153.07021	1.4
155.03404	0.8
157.06500	0.5
158.33000	0.2
158.64485	0.2
163.03917	55.6
165.07121	0.3
169.06544	0.5
171.07909	0.2
181.06497	4.4
185.06021	1.2
187.07559	0.9
196.91295	0.2
199.07584	1.5
203.07086	1.0
209.06032	2.8
213.05518	0.9
227.07037	4.1
231.06665	0.4
237.05490	2.1
245.08093	0.3
255.06534	12.1
258.05219	2.5
273.07584	91.8
274.07932	0.8
277.30722	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	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
54.77174	0.5
56.96545	0.6
61.91114	0.4
65.53156	0.5
66.05308	0.4
67.01868	2.3
68.99804	1.4
69.03424	1.5
69.40695	3.7
83.01326	0.6
91.05489	5.6
95.04955	1.4
97.02885	1.5
98.97602	0.8
107.04976	2.2
111.00796	0.5
119.04943	14.9
123.04444	3.2
125.02337	0.5
140.52632	0.5
147.04416	43.4
153.01834	100.0
171.02902	1.6
179.03381	1.2
189.05481	1.0
231.06551	0.9
255.06566	0.7
273.07574	87.6
274.07907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
56.04065	0.3
58.20434	0.3
65.03968	0.4
67.01880	2.4
67.05506	0.5
68.99792	1.3
69.03435	1.1
69.21721	2.4
69.22134	0.7
73.64803	0.3
82.64121	0.4
83.01342	0.4
85.88419	0.3
91.05491	5.4
93.07042	0.5
95.04946	1.7
97.02894	0.5
98.20798	0.7
103.84910	0.3
105.07065	0.4
107.04948	1.9
111.00777	0.5
119.04961	16.6
120.54781	0.3
121.02922	0.5
121.06509	1.0
123.04449	4.1
133.10187	0.4
147.04428	42.4
151.03922	1.1
153.01846	100.0
159.09206	0.6
163.07619	0.4
171.02910	2.4
179.03442	0.9
185.07239	0.5
189.05536	1.0
205.90616	0.4
227.08257	0.5
231.06514	0.6
237.87833	0.3
242.89755	0.4
245.09172	0.7
245.11555	0.4
255.06677	0.5
273.07602	90.5
274.07843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	36.2
69.83334	2.8
69.96399	0.6
71.95271	3.6
72.96069	2.8
74.97631	1.1
82.99874	0.8
84.96034	3.9
85.02919	1.0
91.99443	0.6
98.97591	100.0
100.99157	1.1
101.00888	4.6
110.97593	1.2
112.99161	2.8
115.00687	0.6
116.98631	26.7
119.01940	4.5
124.19389	0.6
124.95483	3.8
124.99119	13.9
126.97054	1.5
129.00360	1.2
130.98296	0.6
131.00198	1.3
134.99664	4.3
140.00276	0.8
140.98663	1.0
142.96550	2.8
143.00177	19.1
143.01866	8.2
144.98102	2.8
147.01410	1.6
152.95209	0.6
152.99707	2.0
153.98807	0.6
156.98068	0.7
158.99699	2.7
160.97607	1.2
160.99886	0.7
161.01259	6.4
161.02998	11.1
162.00204	1.4
162.99110	2.8
164.99652	1.2
167.00278	0.8
168.98337	1.3
170.96021	0.9
170.99606	1.1
171.01395	1.8
173.01271	1.1
173.02850	0.6
174.00223	2.7
174.97717	1.0
174.99149	1.2
177.00819	1.3
178.98553	0.8
179.02245	0.8
183.00723	5.0
185.01341	2.6
186.99214	1.8
187.00995	2.3
187.99983	2.0
188.97192	1.3
189.00729	1.7
189.02501	1.9
192.01224	1.6
194.98141	0.8
195.99847	1.3
196.01491	6.4
196.51707	0.6
197.00534	5.4
201.00945	0.8
203.02385	1.2
205.00319	4.5
205.02081	1.1
206.01048	1.1
206.98219	1.3
208.01671	0.8
208.97910	0.7
213.00745	0.9
215.96906	0.7
223.01176	1.2
229.98503	1.4
230.98157	2.3
231.01735	18.5
231.03561	2.0
231.51950	1.4
236.97546	0.9
237.00740	0.6
238.00027	1.2
240.02312	8.5
247.00694	1.3
247.98866	0.8
248.51274	0.8
248.99165	2.7
249.02798	2.0
249.04810	10.6
251.53142	0.8
267.00284	1.7
267.03687	3.1
272.06473	0.8
285.04962	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05506	6.4
57.07078	4.0
67.05510	10.0
69.07056	9.9
71.08598	2.3
74.88945	2.1
75.54222	1.8
77.04871	1.8
79.05489	7.2
80.57937	1.4
81.07056	35.2
81.81837	1.7
83.08615	3.8
91.05508	9.1
93.07047	15.9
95.04953	1.7
95.08605	29.7
96.36270	1.7
97.10160	2.2
98.21500	5.6
105.07027	19.0
107.08590	21.4
109.10166	24.1
117.07029	4.2
119.04910	2.5
119.08597	21.3
121.10146	14.9
123.11713	13.2
131.08565	10.8
133.10126	16.7
135.11700	11.6
137.13332	3.0
145.10139	12.8
147.11679	12.9
149.13249	12.5
153.01849	8.5
159.11716	21.8
161.09541	1.9
161.13277	13.4
163.14828	11.9
173.13274	14.2
175.14859	9.6
177.16426	4.9
187.14809	9.7
189.16411	3.8
201.16354	14.6
215.17932	20.3
229.19530	8.2
271.06030	100.0
271.21161	3.1
271.24207	93.6
271.28268	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	271.2422
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05514	5.1
57.07072	4.8
67.01837	0.9
67.05502	8.6
69.07066	8.1
70.64740	1.7
79.05488	5.0
81.07061	16.9
83.08614	4.6
85.07088	0.9
86.79409	0.8
91.05482	5.4
93.07060	11.0
95.08613	21.5
97.10164	1.7
100.62547	0.8
105.07046	13.9
107.08601	17.6
109.10168	19.2
111.11716	1.2
117.07012	2.0
119.04943	3.1
119.07813	1.4
119.08589	16.0
121.10149	16.6
123.11710	8.4
131.08566	5.8
133.10143	10.8
135.07986	0.8
135.11693	9.4
137.13251	3.1
143.08562	1.3
145.10124	12.7
147.10789	1.0
147.11719	9.3
149.13274	8.1
153.01840	3.6
158.10794	1.0
159.11708	16.3
161.13266	10.1
163.14825	7.3
169.10101	1.2
173.13278	6.9
175.14844	10.8
177.16443	2.0
187.14828	8.4
188.58324	0.9
189.16388	3.9
191.18117	1.1
199.14941	1.1
201.16385	10.6
203.17918	1.7
215.17973	14.8
229.19521	3.0
243.21129	1.5
246.86714	0.9
253.19531	0.9
271.03076	2.1
271.06030	42.5
271.20898	3.7
271.24225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03939	1.2
55.05512	7.1
57.07063	3.1
57.93570	1.6
67.01849	1.3
67.05503	10.0
69.03420	1.0
69.07070	13.0
69.67035	0.7
71.04993	0.7
71.08608	0.8
71.32401	0.6
71.53365	0.6
75.80324	0.6
79.05493	7.7
81.07059	26.2
83.04975	0.8
83.08612	5.5
85.06545	0.8
86.53913	0.6
88.51987	0.6
89.01892	0.6
91.05488	7.6
93.06491	0.9
93.07047	14.6
95.04947	1.7
95.08611	19.6
97.06506	1.6
97.10188	3.1
105.07034	15.9
107.08598	19.4
109.06528	3.5
109.10155	16.6
111.08105	1.2
111.11721	2.0
116.97195	2.5
117.07019	3.2
118.96761	0.8
119.04948	4.6
119.08586	17.2
121.02827	0.7
121.06506	22.3
121.10140	12.8
123.08057	2.4
123.11715	9.1
128.06166	0.8
129.07002	1.3
130.07794	0.7
131.08549	8.1
133.10123	11.9
135.08057	6.6
135.11674	7.2
137.02451	0.8
137.09599	1.8
137.13214	2.3
139.98801	2.9
141.98323	0.8
142.07765	0.9
143.08559	3.6
144.09364	1.5
145.02873	1.2
145.06488	0.9
145.10117	16.3
147.08060	5.1
147.11699	12.1
149.09616	1.5
149.13275	8.3
151.14816	1.0
153.01833	8.6
155.08582	1.9
156.09346	0.8
157.10130	5.4
159.08073	2.0
159.11697	12.2
161.09612	4.6
161.13258	9.2
163.11160	0.8
163.14822	5.4
169.10062	4.0
171.02933	0.9
171.11710	3.0
173.09631	4.3
173.13292	6.1
175.11186	2.9
175.14818	7.6
177.12700	1.1
177.16374	1.2
183.11693	2.5
185.13278	2.3
187.11238	4.9
187.14787	6.8
189.12726	2.0
189.16397	2.3
190.13490	0.8
197.13249	3.6
199.14816	2.3
201.12732	2.9
201.16406	8.6
202.17125	0.9
203.17836	0.9
211.14819	2.5
213.16396	2.4
215.14429	3.5
215.17955	9.6
225.16362	0.9
227.18008	1.2
229.04991	0.8
229.15933	0.7
229.19540	2.2
243.06567	0.8
243.17513	0.9
243.21135	3.2
253.19499	6.6
271.06021	100.0
271.20590	48.0
271.24200	48.0
272.06329	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2058
Annotation	Clathrin B
Peak:m/z	Relative Intensity
53.03947	2.1
55.05516	6.4
57.07063	1.7
58.94005	0.8
67.05509	8.1
68.46168	0.9
69.03433	1.9
69.07075	10.7
70.21393	0.8
71.04969	1.0
71.11397	1.6
79.05502	9.8
81.06587	1.6
81.07061	26.8
83.04998	1.1
83.08610	3.8
91.05482	9.8
93.07049	14.1
95.04990	1.8
95.08607	17.8
97.06512	1.9
97.10168	3.3
105.07034	17.7
107.08603	18.3
109.06521	3.4
109.10163	9.8
111.08087	1.7
111.11691	1.3
115.05483	1.1
116.97223	3.9
117.07011	4.3
119.04929	2.7
119.08595	15.5
121.06512	50.4
121.10154	8.7
123.08058	3.5
123.11734	3.0
128.06198	0.9
129.07039	1.5
131.08559	9.1
133.10136	10.2
134.75142	1.0
135.08073	15.1
135.11687	4.7
137.09634	2.7
137.13286	2.8
139.98790	2.9
142.07779	2.5
143.08563	7.6
144.09300	1.5
145.06552	1.4
145.10127	16.4
147.08064	10.4
147.11702	8.9
149.09595	3.6
149.13269	5.3
151.14809	1.9
153.01830	4.4
155.08583	3.6
156.09373	1.9
157.10164	7.1
158.07289	1.4
159.08035	4.5
159.11705	10.0
161.09615	8.7
161.13245	6.0
163.11201	2.3
163.14832	2.0
169.10158	8.6
171.11705	7.7
173.09642	9.8
173.13245	7.0
175.11247	5.0
175.14804	1.7
177.12784	3.5
182.10883	2.0
183.11714	5.2
185.13255	3.2
187.11194	13.3
187.14781	4.8
189.12805	3.6
190.13489	2.2
196.12547	1.2
197.13292	7.0
199.14824	3.6
201.12758	6.2
201.16382	3.1
203.14165	1.4
211.14833	4.2
213.16415	3.6
215.14323	7.1
215.17923	2.1
222.12538	0.9
224.15546	1.4
225.16385	2.2
227.18082	2.3
229.15961	1.9
242.16615	1.0
243.17302	1.0
243.21080	7.0
253.19550	14.1
271.06021	49.7
271.20581	100.0
271.24030	6.6
293.18082	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2058
Annotation	Clathrin B
Peak:m/z	Relative Intensity
53.03933	1.2
55.05513	8.6
57.07066	3.2
65.03938	1.0
67.05515	6.5
69.03423	1.9
69.06729	1.1
69.07072	12.8
70.70973	1.2
70.71337	1.5
76.05147	0.7
79.05502	7.6
81.06592	1.1
81.07059	15.4
83.04986	1.1
83.08600	4.1
91.05486	8.6
93.07050	15.1
95.04968	1.7
95.08061	1.2
95.08607	14.4
97.06524	5.1
97.10205	4.1
100.76895	0.7
105.07029	12.3
107.08600	14.3
109.06520	5.9
109.10150	8.5
111.08079	1.5
111.11723	2.1
117.07003	2.1
119.08595	9.5
121.06512	70.3
121.10147	6.2
123.08073	8.4
123.11700	3.6
128.06155	1.2
129.07018	1.8
129.96230	0.9
130.07762	1.5
131.08582	6.9
133.06587	0.7
133.10133	8.5
135.08070	18.1
135.11673	2.5
137.09639	3.0
137.13289	5.5
139.72528	0.7
141.06999	1.4
142.07785	2.4
143.08578	5.6
145.06491	2.2
145.10129	12.1
146.07243	1.5
147.08064	16.9
147.11687	4.8
149.09633	4.4
149.13309	4.5
155.08588	3.9
156.09360	1.3
157.10158	7.4
158.07243	3.8
159.08078	9.3
159.11691	8.7
160.08781	0.9
161.09641	17.8
161.13266	3.3
163.11169	2.9
163.14867	1.3
169.10118	3.4
171.11714	5.6
172.08833	2.1
173.09641	19.8
173.13220	4.4
174.10402	0.7
175.11201	11.9
176.11992	1.1
177.12825	1.2
181.10075	0.8
183.11707	3.7
185.13289	2.0
187.11192	17.4
187.14787	3.7
189.12695	4.0
197.13254	7.1
199.14828	4.6
201.12770	10.5
201.16371	2.1
211.14769	1.6
213.16376	3.2
214.13536	2.8
215.14331	11.0
225.16368	1.1
227.18044	1.2
229.15907	2.1
229.19563	1.6
243.21082	2.7
253.19508	10.7
271.06018	5.9
271.20581	100.0
289.94247	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
55.05521	2.4
56.96564	0.5
57.03442	1.6
57.07063	0.4
65.03947	0.4
65.62883	0.2
67.01869	1.1
67.05513	4.5
68.39156	0.2
68.99794	1.2
69.03409	0.3
69.07072	2.8
71.05006	1.4
71.08615	0.4
71.53427	0.3
76.30228	0.3
79.05501	2.1
81.06591	0.4
81.07063	7.5
83.04961	0.5
83.08614	1.3
85.02914	0.4
85.06532	0.7
91.05480	3.0
93.07053	2.9
95.04966	0.3
95.08617	7.5
97.02850	0.3
97.06548	1.5
97.10175	0.6
98.97601	0.6
99.04456	0.3
99.08078	0.8
105.03384	0.2
105.07043	1.9
107.04951	1.9
107.08640	1.6
109.02876	0.3
109.06528	0.5
109.10171	2.1
111.08095	0.3
113.09649	0.3
117.07011	0.3
119.04957	3.9
119.08601	2.3
121.02884	1.3
121.06527	0.3
121.10139	1.0
123.08029	0.5
123.11701	0.7
125.05980	0.2
129.01837	0.4
131.08508	0.5
133.10130	1.9
135.11697	1.2
137.02348	1.8
137.13248	0.7
141.07007	0.6
143.07069	0.4
145.02861	1.0
145.10132	0.8
147.04486	0.3
147.11667	0.7
149.02184	0.3
149.13235	0.9
151.11296	0.3
153.01845	8.9
155.04892	0.5
157.06493	0.3
159.11739	0.6
161.02342	0.4
161.13258	2.3
163.03929	0.8
163.14864	0.3
169.06471	0.7
169.10135	0.3
171.02925	0.6
171.11757	0.3
173.05971	0.5
173.13298	0.3
175.14873	0.4
179.14365	1.2
181.04774	0.2
183.04376	0.7
187.03949	0.4
187.14832	0.4
190.89897	0.2
197.05983	1.1
201.05449	0.7
202.06314	0.2
203.07091	0.3
209.15324	0.3
211.07484	0.4
215.07059	1.0
215.18018	0.3
217.19495	0.2
225.05429	1.3
227.16539	0.3
229.05003	1.3
239.07129	0.3
243.06544	1.1
244.06625	0.3
253.04921	0.4
253.17909	0.4
259.14014	0.3
271.06030	100.0
271.19046	5.2
271.23965	1.5
272.06390	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1441
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
54.78970	0.4
55.05497	1.5
56.96559	0.7
57.07082	0.5
57.96238	0.4
63.05933	0.5
67.01856	0.9
67.05501	1.2
68.99794	1.1
69.07046	1.2
70.77450	0.5
71.54295	0.6
71.65462	0.4
79.05483	2.4
81.07059	4.2
83.08612	0.8
87.29610	0.5
91.05484	2.2
93.07047	2.1
94.06550	0.7
95.08608	2.1
96.08150	0.8
97.06519	0.6
98.55566	0.4
98.97578	1.1
104.55601	0.4
105.07024	1.9
106.06564	0.7
107.08610	2.9
108.08121	2.8
109.06547	0.5
109.10155	1.7
116.98621	0.6
118.06526	0.6
119.04941	5.1
119.08572	2.0
121.02895	0.8
121.06517	1.1
121.10104	0.9
123.08041	0.5
123.11697	0.7
127.07710	0.5
129.06995	0.8
131.08554	1.4
133.10135	1.6
134.06036	0.8
135.07957	0.5
135.11745	0.7
137.02386	0.6
141.06995	0.8
142.07788	0.8
143.08568	1.0
144.08049	0.6
144.09328	0.5
145.02890	1.1
145.10127	1.5
147.11627	0.9
149.09633	0.6
149.13254	0.5
153.01822	9.8
155.08539	0.8
157.10127	1.9
159.11673	0.8
161.13264	1.0
163.03888	1.0
168.08087	2.7
169.08887	1.7
169.10170	0.7
171.11646	1.2
173.09560	0.6
173.13293	0.5
174.09178	1.1
181.10080	1.0
182.09637	1.1
183.10442	4.0
183.11707	0.8
185.10739	0.6
185.13200	0.6
186.11514	0.8
187.14769	0.9
196.07571	1.8
197.08278	2.5
197.13327	1.3
198.09244	0.6
198.12778	4.5
199.08649	2.9
200.13055	0.6
210.09084	0.9
211.09924	6.5
211.14922	0.9
212.09492	1.1
213.10220	4.9
213.16356	0.6
214.10995	1.4
215.15576	1.1
225.05415	0.6
225.14000	0.6
226.12292	12.6
227.08209	1.1
227.11784	10.3
227.17908	0.5
228.12578	12.2
229.04982	0.8
240.09010	0.6
241.09642	0.8
242.10542	1.1
243.14934	11.7
253.13393	2.1
253.19427	1.5
254.11635	0.6
255.11305	18.7
256.12073	19.5
269.12906	1.0
271.06024	100.0
271.14398	57.5
271.16751	1.0
271.20575	8.8
271.23871	0.9
272.06372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0965
Annotation	Methyl-liquiritigenin
Peak:m/z	Relative Intensity
52.03149	0.1
52.32348	0.1
53.03939	0.2
53.09087	0.1
55.05508	0.2
55.28314	0.2
57.07071	0.1
65.03936	1.3
65.32797	0.2
67.01845	0.1
67.05511	1.0
68.99792	1.6
69.07063	0.4
71.05004	0.2
71.07540	0.4
77.36150	0.2
77.59471	0.1
79.05504	0.4
81.03419	0.3
81.07066	0.7
82.66641	0.1
83.08625	0.3
87.52264	0.1
91.05479	1.2
93.07049	0.6
95.04971	1.3
95.08594	0.4
98.97552	0.3
105.03398	0.3
105.07033	0.3
107.04956	0.3
107.08606	0.2
108.02101	2.6
109.10184	0.3
111.04447	0.7
111.08009	0.2
119.04942	2.5
119.08562	0.3
121.02916	0.8
121.03982	0.6
121.06540	0.2
121.10123	0.2
123.04459	1.0
123.11695	0.2
133.10168	0.3
135.11725	0.2
136.01530	1.0
137.02322	0.2
137.13254	0.2
147.04416	3.2
147.11722	0.4
151.03908	100.0
152.04247	0.3
153.01823	1.4
154.02585	0.8
155.08517	0.2
159.11676	0.2
177.05443	0.3
197.06012	0.2
201.05489	0.2
210.06758	0.2
225.05414	0.3
229.04956	0.4
229.08511	0.2
235.13338	0.2
241.04912	0.2
241.48683	0.2
243.06523	0.3
256.07324	0.8
271.06070	16.3
271.09662	36.8
272.09827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0965
Annotation	2',4'-DIHYDROXY-4-METHOXYCHALCONE
Peak:m/z	Relative Intensity
53.03949	0.7
59.54871	0.3
65.03947	0.5
65.42458	0.3
67.05487	0.4
68.99786	1.7
69.03420	0.6
69.07084	0.3
70.05251	1.2
70.05653	0.7
70.89223	0.3
76.14088	0.3
79.05496	1.1
81.02984	0.6
81.03423	6.5
81.07043	0.8
89.80377	0.3
91.05486	0.9
95.08617	0.4
96.02116	1.3
97.83347	0.3
103.05461	1.4
105.07033	1.4
107.08575	0.4
107.95956	0.3
109.02889	1.1
109.06519	1.1
109.10133	0.6
111.04433	1.0
117.03387	2.9
118.04169	1.7
119.04938	1.2
121.02928	0.4
121.04036	0.5
121.06500	1.0
127.03950	0.7
133.06497	16.5
133.10123	0.5
135.04442	0.7
135.08098	0.5
137.02344	100.0
137.05815	1.5
138.02692	0.7
145.02766	0.4
153.01845	2.1
155.03424	1.9
161.05989	36.9
163.03908	3.3
165.07016	0.6
166.07819	0.4
182.07300	0.5
183.08038	0.5
185.09592	0.6
194.07292	0.4
197.09634	0.6
201.09096	0.8
202.23157	0.3
210.06773	0.9
211.07582	0.5
211.14674	0.3
225.05646	0.5
225.09105	3.7
229.08669	0.3
253.08640	4.5
256.07336	2.7
271.06119	20.4
271.09680	85.1
272.10059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0966
Annotation	2',4'-DIHYDROXY-4-METHOXYCHALCONE
Peak:m/z	Relative Intensity
53.03944	0.9
68.99794	1.2
70.27533	0.4
70.35651	0.8
79.05520	1.0
81.03429	5.5
89.31812	0.4
96.02133	0.6
103.05466	1.3
105.07056	1.2
106.54475	0.4
107.04969	0.5
109.02891	1.1
109.06525	1.2
111.04461	1.2
116.97233	2.2
117.03392	2.6
118.04179	1.7
118.96777	0.5
119.04913	0.5
121.06518	1.6
127.03909	0.6
133.05475	0.8
133.06506	16.2
135.04404	0.7
135.08022	0.9
137.02350	100.0
137.05940	2.2
139.98819	1.8
147.04465	0.6
151.03969	0.9
155.03433	1.2
161.05997	35.1
162.06433	0.4
163.03949	2.6
165.07031	0.7
182.07324	0.7
210.06680	0.7
225.09106	3.1
246.31689	0.4
253.08615	4.6
256.07321	2.8
271.09665	85.3
271.20615	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0603
Annotation	Apigenin
Peak:m/z	Relative Intensity
54.26820	1.1
55.05487	2.0
56.96568	1.1
57.07053	1.8
59.21335	1.1
61.83992	1.1
62.12646	1.1
63.75906	1.1
67.05466	1.9
69.07046	2.7
71.51724	1.4
81.07050	2.4
91.05477	2.0
93.07015	2.4
95.08608	2.0
106.85746	1.1
119.04940	4.7
121.10129	1.4
134.99670	1.1
137.50751	1.3
153.01834	8.5
207.02118	1.3
271.06024	100.0
271.20554	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	271.0602
Annotation	Genistein
Peak:m/z	Relative Intensity
52.79398	0.2
53.03931	0.3
55.01872	0.3
58.02346	0.2
65.03945	0.5
68.99792	1.0
69.07071	0.2
69.44491	0.5
69.44901	1.3
79.05496	0.5
81.03423	1.3
89.03926	0.8
91.05457	0.6
93.07040	0.3
95.04951	0.3
105.03409	2.3
107.04934	0.7
115.05425	0.6
117.03380	0.5
119.04934	0.5
119.08568	0.3
121.02850	0.6
129.07019	0.3
131.08600	0.6
133.02867	0.6
135.04430	1.2
137.02347	25.6
141.06003	0.3
141.07010	3.9
144.05717	0.3
145.02850	0.3
145.06493	0.6
147.04404	0.7
149.02316	1.1
152.06204	0.6
153.01851	1.4
153.06976	0.7
155.04922	0.7
159.08035	0.6
161.02339	3.4
169.06497	4.1
173.06010	1.0
175.03911	0.7
181.06490	2.3
183.04430	0.9
187.07568	2.1
187.27773	0.3
189.01823	0.3
197.05997	8.3
200.04707	1.1
201.05457	2.0
203.07071	0.3
213.05440	0.2
215.07043	13.0
225.05476	14.1
229.04982	0.3
243.06563	2.6
253.04973	4.8
271.06027	100.0
272.06223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0603
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.03941	0.1
55.01855	0.1
56.53734	0.1
62.05044	0.1
65.03934	0.3
67.00555	0.1
68.99798	1.8
69.03426	0.2
69.22201	0.7
69.22623	0.4
69.37585	0.1
79.05504	0.2
81.03438	0.7
89.03935	0.4
95.01324	0.2
107.04959	0.2
109.02867	0.5
111.04459	0.7
114.41151	0.1
115.05454	0.2
115.34834	0.1
117.03384	0.6
119.04972	0.2
121.02924	0.2
121.04021	0.2
126.05828	0.1
127.03925	0.1
129.07034	0.1
135.04430	3.0
137.02348	9.9
141.07007	0.5
143.38394	0.1
143.64967	0.1
145.02850	0.1
153.01828	0.6
155.03380	1.0
155.04678	0.1
157.06516	0.4
161.02356	3.9
169.06487	0.5
173.06015	0.2
185.06006	0.4
197.06036	0.8
215.07106	0.3
225.05481	0.6
231.79974	0.1
242.05763	0.1
243.06549	0.4
253.04987	0.5
253.07387	0.1
271.06027	100.0
272.06403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33187	0.1
55.38326	0.0
65.03932	0.1
67.01871	1.4
68.99796	0.7
69.00134	0.1
71.45285	0.1
72.82461	0.0
80.25981	0.0
91.01869	0.1
91.05486	1.2
97.02907	0.1
106.22113	0.0
109.02856	0.1
111.00806	0.2
119.04950	4.7
121.02881	1.4
125.02338	0.1
127.03919	0.1
129.01819	0.2
131.04955	0.1
141.06982	0.1
145.01768	0.1
145.02852	1.5
145.04008	0.1
145.06561	0.1
153.01840	10.3
155.04857	0.1
163.03922	0.9
169.06520	0.2
171.02907	0.5
173.05968	0.1
185.05992	0.1
187.03946	0.3
197.05988	0.2
203.07014	0.2
211.03940	0.1
215.07104	0.0
225.05444	0.5
229.04977	0.4
243.06488	0.6
247.06096	0.2
253.05009	0.2
271.06027	100.0
272.06339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0603
Annotation	Apigenin
Peak:m/z	Relative Intensity
54.40363	0.2
55.05492	0.3
56.96531	0.2
57.85620	0.2
66.30474	0.2
67.01862	1.3
67.05502	0.5
68.99783	1.2
69.07059	0.6
79.05487	0.3
81.07052	0.8
83.08608	0.3
85.35916	0.2
86.87001	0.2
91.05479	1.1
93.07049	0.5
95.04985	0.3
95.08606	0.8
98.21613	0.4
98.97567	0.3
99.65164	0.2
105.07047	0.5
107.08574	0.4
109.06515	0.2
109.10160	0.5
111.00809	0.3
116.21279	0.2
119.04948	4.9
119.08571	0.4
121.02895	1.3
121.10186	0.2
123.11728	0.3
129.01830	0.4
131.04950	0.2
133.10123	0.3
135.11653	0.2
137.02298	0.3
137.05922	0.2
141.06993	0.4
145.02837	0.9
147.11665	0.2
153.01834	9.6
155.05045	0.2
159.11699	0.2
163.03912	0.8
165.07036	0.3
171.02885	0.7
173.06010	0.4
187.03989	0.3
197.06035	0.4
215.06999	0.2
225.05440	0.7
229.04999	1.0
243.06532	0.4
247.06062	0.2
253.05144	0.3
271.06018	100.0
271.24078	0.7
272.06314	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68616	0.0
65.03942	0.1
67.01535	0.1
67.01873	1.4
68.99785	0.9
69.00117	0.1
69.03432	0.1
70.54816	0.1
72.91039	0.1
75.78002	0.1
79.05485	0.1
91.05492	1.1
97.02901	0.1
111.00793	0.2
119.04950	4.9
119.30128	0.1
121.02882	1.4
125.02376	0.1
127.03942	0.1
129.01842	0.2
131.04868	0.1
141.07016	0.2
145.02856	1.3
149.09622	0.1
149.89098	0.1
153.01840	9.9
155.04941	0.1
157.06509	0.1
163.03935	0.8
169.06493	0.2
171.02921	0.4
173.06001	0.1
187.03917	0.3
197.06018	0.3
203.07132	0.1
211.03896	0.1
225.05524	0.5
229.04948	0.4
243.06557	0.6
247.06102	0.2
253.04919	0.2
271.06024	100.0
272.06323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
54.19250	0.8
55.01873	1.4
55.05487	0.9
56.96342	0.9
56.96574	10.2
57.03422	1.6
59.05011	5.7
61.02917	3.1
69.03423	3.6
69.93732	4.0
70.98122	1.4
72.08156	1.3
72.93793	1.9
73.02911	2.7
73.06562	100.0
73.75422	0.8
74.01097	0.9
74.62122	0.8
75.04496	1.9
81.03412	2.4
84.96018	0.9
85.02436	1.5
85.02914	19.1
87.04474	6.2
89.06036	1.7
91.05497	5.5
91.07607	12.1
93.55505	0.9
95.06067	1.7
97.02901	5.4
98.97585	10.9
103.03954	2.8
105.07042	1.3
109.02895	1.3
110.97554	3.3
113.96389	2.0
116.98612	3.8
119.03434	3.0
119.04957	8.3
124.99122	2.6
127.03909	3.9
128.98648	2.7
131.00194	0.9
131.03419	3.6
132.95882	0.9
136.06178	2.4
139.03865	1.6
143.00165	3.1
145.04967	4.9
147.04424	35.4
148.04755	2.5
158.99673	3.1
161.01212	2.6
161.04483	7.5
163.03879	2.6
165.05478	1.8
169.01752	1.9
170.99666	1.3
177.00764	1.8
183.03110	3.2
185.01250	1.4
187.02858	1.5
189.00674	1.3
192.03621	2.6
203.02246	1.4
205.00308	1.0
211.14520	0.9
217.03455	23.4
218.99800	1.0
219.01756	4.4
231.01784	1.9
235.04541	8.9
237.02812	2.9
249.02773	1.5
270.13306	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	270.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.6
56.96300	3.3
56.96570	39.1
57.03441	5.8
57.07075	2.5
59.04998	11.3
61.02908	5.5
66.62526	2.4
67.05493	4.3
68.99794	4.1
69.03445	13.5
69.07053	4.3
70.06599	4.6
72.93785	8.0
73.02911	8.2
73.06563	93.8
75.04486	4.4
81.03408	4.5
81.07028	3.4
83.05001	5.2
84.96046	6.3
85.02921	34.7
87.04483	20.2
89.06042	3.4
90.94811	4.7
91.05491	19.9
91.07604	24.5
95.04982	3.7
95.06101	4.9
97.02885	14.5
98.09681	4.1
98.20717	5.0
98.97591	39.3
99.27248	2.4
103.03954	8.0
107.04948	5.8
109.02887	5.5
109.06502	3.4
110.62225	2.4
110.97562	7.8
111.04459	4.0
113.96415	9.3
116.98615	13.5
119.03435	12.0
119.04911	22.4
120.08126	2.8
124.99120	7.2
127.03924	5.6
128.98634	11.3
131.00224	4.7
131.03415	7.9
131.97443	3.2
133.06535	5.4
134.99651	3.3
136.06207	6.8
138.05460	2.9
139.03896	6.1
143.00159	11.1
145.02850	3.1
145.04930	3.9
146.99692	3.1
147.04431	100.0
158.99661	8.0
161.01233	8.3
161.04475	19.6
163.03896	7.6
169.01718	4.4
170.99594	2.9
175.02370	4.9
177.00699	6.5
183.03114	19.7
185.01222	4.8
187.02748	3.0
188.17987	3.0
189.00768	5.8
192.03593	5.6
196.06749	5.3
201.00706	6.0
203.02179	5.3
205.00113	2.8
211.14546	4.8
213.00749	2.6
217.03474	43.2
219.01730	14.8
227.02168	3.1
229.27769	3.8
231.01877	3.5
235.04483	21.6
237.02792	12.4
249.02785	6.0
261.05121	4.2
267.03946	3.1
269.50061	2.5
270.04514	4.1
270.13257	4.1
270.21744	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	270.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.5
55.01848	1.2
55.05510	1.7
56.05035	1.6
56.96568	18.1
57.03427	3.5
58.99859	2.1
61.02929	6.7
69.03445	6.9
69.81603	4.9
70.06595	1.5
70.98122	2.7
70.99845	3.2
71.04983	2.7
73.02919	2.6
79.25516	1.1
81.03418	3.1
81.07053	1.9
82.01453	1.8
82.99830	7.4
83.04932	1.6
84.96048	2.9
85.02908	11.1
87.04468	2.0
88.99178	1.3
90.77249	1.3
91.05491	1.4
97.01371	3.3
97.02889	7.7
98.21506	1.7
98.97595	12.7
99.04465	1.7
100.02479	2.7
101.00893	67.9
107.04948	1.6
109.02834	2.7
110.01332	1.3
110.97551	1.8
111.04456	2.1
113.00858	3.2
113.02401	2.0
113.43990	1.1
113.46618	1.4
115.00708	1.6
115.02444	17.3
115.03918	2.1
116.07079	1.8
116.98637	3.3
117.03952	1.9
118.03562	1.4
119.01931	100.0
121.06520	1.1
124.02464	3.4
124.95576	1.3
124.99096	4.1
126.98788	4.1
127.02412	1.4
127.03873	3.5
128.98624	1.3
129.03975	5.6
131.00121	1.4
131.01901	10.4
131.05612	1.4
133.03487	13.8
134.02715	2.0
137.02948	11.1
138.00827	1.5
138.05498	9.9
139.03923	2.0
140.98663	1.4
142.03522	6.0
143.00182	8.1
143.01907	6.1
144.99829	7.7
145.01700	3.0
145.03445	4.3
145.04953	1.7
146.99644	1.6
147.01343	4.1
147.04330	3.8
147.05167	2.2
149.02945	2.5
151.04517	1.9
151.07544	3.0
152.02219	1.4
154.98285	1.9
157.01643	1.5
157.03484	1.5
158.99681	2.8
159.01476	2.8
159.04994	1.8
161.01244	5.7
161.02940	10.0
162.01791	1.2
163.02705	2.0
163.03941	1.5
167.02780	2.4
168.99828	25.1
171.01399	3.9
172.99364	3.6
173.01582	1.1
173.02940	6.3
174.06328	3.9
176.01738	1.1
176.03384	1.8
177.00792	1.8
177.02406	3.6
182.03056	2.5
183.05174	1.4
183.06819	3.6
183.56891	1.5
186.99323	1.6
187.00893	33.2
189.00679	3.7
189.02463	5.9
189.04088	1.3
191.00307	1.4
191.04041	4.0
191.05684	2.0
196.99342	18.3
197.01152	2.1
199.00919	2.3
200.04199	2.2
201.02458	2.9
203.04030	1.7
204.04753	1.4
205.00211	1.6
205.01927	5.2
212.04050	2.5
213.05984	1.4
215.00389	64.3
217.01921	4.0
219.01723	2.2
219.03540	5.1
220.04234	2.0
223.01248	1.5
229.01997	8.3
229.03970	1.5
233.01456	7.6
238.02107	3.2
241.82730	1.2
247.03004	22.0
251.02437	4.1
256.03030	6.7
257.05280	1.6
265.04016	3.5
269.05563	2.8
270.04700	1.2
270.09918	2.7
270.14383	2.6
271.06042	3.0
274.04083	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	269.2264
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
53.03941	1.8
55.05518	6.1
57.07071	2.6
64.17004	0.8
65.03934	1.0
67.05509	9.1
69.07068	6.2
70.21132	2.1
70.21525	1.7
79.05071	1.3
79.05498	16.3
79.05939	0.7
81.07057	55.9
83.08595	3.2
91.05480	7.9
93.07045	16.0
93.07624	1.2
95.08611	19.7
97.10156	1.7
105.06410	1.4
105.07043	20.0
107.08604	15.4
109.10155	10.6
111.11723	1.2
117.07003	3.2
119.06086	1.1
119.07805	1.5
119.08588	20.0
121.10136	12.6
123.11697	4.8
128.06300	0.8
129.06989	3.6
131.08568	15.6
133.10143	12.4
135.11693	6.5
137.13228	1.4
142.07765	1.6
143.08577	9.9
144.09337	1.5
145.10123	17.3
147.11694	12.7
149.13261	5.3
156.09389	1.3
157.10124	12.9
158.10860	1.9
159.11707	18.3
161.13264	12.2
163.14903	1.4
169.10126	1.4
170.10945	2.1
171.11694	10.4
173.13272	29.3
175.14845	12.3
175.17468	0.8
184.12540	1.4
185.13283	12.5
187.14824	12.0
188.15610	20.4
188.17360	1.1
189.16362	3.0
193.54219	0.8
197.13174	2.1
199.14818	16.8
201.16379	3.8
211.14713	1.2
212.15691	1.0
213.16380	14.8
214.17149	2.0
227.17984	5.0
228.23228	1.8
228.84735	0.8
228.89014	0.8
241.19542	2.5
249.89868	1.0
269.08142	0.8
269.22644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03933	3.8
55.01860	2.8
55.05513	19.5
57.03441	31.8
57.07060	3.7
59.00274	1.1
65.03932	3.1
67.05508	73.1
69.07072	29.6
69.32056	10.3
71.05007	7.2
71.22276	1.3
71.26791	1.2
74.67561	1.2
77.03904	1.1
79.05497	50.6
81.03410	2.1
81.07061	100.0
83.04983	10.5
83.08625	20.9
85.06557	6.9
91.05483	27.6
93.07050	74.8
95.04974	8.3
95.08067	1.9
95.08617	29.1
97.06546	15.7
97.10158	2.3
99.08072	5.5
100.49711	1.2
105.04474	1.6
105.07034	12.3
107.07889	1.8
107.08601	36.0
108.68078	1.1
109.06499	3.4
109.10155	7.3
111.08095	9.5
113.09618	1.7
117.07037	13.1
119.08572	4.1
121.06471	2.0
121.09349	1.5
121.10154	19.3
123.08087	1.6
123.11690	4.9
125.09649	2.4
131.08583	13.2
133.10139	14.2
135.08009	2.9
135.11696	13.2
139.11134	2.2
145.10124	1.6
147.11673	3.7
149.13266	48.3
159.10490	2.0
159.11716	30.2
161.13255	3.8
167.14368	1.8
173.13280	1.9
177.12738	18.5
179.14253	1.9
195.13829	18.6
197.67473	1.3
226.06180	2.1
269.04715	1.5
269.08020	5.7
269.17441	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03937	2.7
55.01861	3.6
55.05513	19.9
57.03441	28.4
57.07072	4.5
65.03930	2.3
67.05508	80.5
69.03437	1.1
69.07073	27.3
69.33016	7.3
71.04998	6.2
73.02896	1.0
79.05497	45.7
81.03403	2.4
81.07060	100.0
83.04991	10.4
83.08150	1.5
83.08622	20.6
85.06542	6.5
85.52476	0.8
91.05484	27.0
93.07049	73.7
95.04964	5.4
95.08613	26.4
97.06538	17.0
97.10137	2.2
99.08085	5.4
105.04487	1.4
105.07037	12.1
107.04960	1.0
107.08600	33.4
108.74642	1.0
109.06531	4.1
109.10157	5.3
111.08092	10.4
117.07030	10.2
119.08577	3.3
121.06499	1.8
121.09340	1.4
121.10153	22.5
123.11702	2.9
125.09664	1.0
131.08565	13.8
133.10143	14.0
135.08072	2.3
135.11700	15.1
136.75517	0.8
139.11192	1.7
145.10123	1.6
147.11690	2.6
149.09598	1.3
149.13266	50.6
151.11151	2.5
157.10144	1.3
159.11699	27.9
161.13235	2.5
167.14433	2.0
177.12735	17.4
179.14304	2.5
195.12010	1.2
195.13811	19.2
213.14812	1.3
226.06366	0.8
233.15413	0.9
236.65175	0.8
251.16325	1.6
269.08063	3.5
269.17480	87.8
269.22458	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03940	4.0
55.01882	2.5
55.05317	1.4
55.05511	15.8
57.03440	32.0
57.07073	3.7
65.03946	2.5
67.05507	70.1
69.06729	2.5
69.07069	32.3
70.13136	6.9
71.04981	6.9
77.04015	1.7
79.05497	45.9
81.07062	100.0
83.04995	8.7
83.08627	18.6
85.06525	7.0
91.05490	24.3
93.07048	73.5
95.04970	4.4
95.08614	29.2
95.64723	1.7
97.06531	15.1
97.10131	3.6
99.04485	2.3
99.08078	5.3
99.78695	2.0
105.07052	11.0
107.08605	32.5
109.06509	3.5
109.10132	5.2
111.08096	9.5
114.14746	1.6
117.07008	6.9
119.08568	3.8
121.06513	2.2
121.10143	24.1
123.11740	2.4
125.09521	1.9
131.08566	12.7
133.10117	12.7
135.08101	1.9
135.11694	10.1
139.11151	1.8
147.11708	2.4
149.13266	56.0
151.07562	2.2
151.11256	2.0
153.09102	2.1
159.11697	23.4
177.12787	12.4
195.13786	18.4
201.64096	1.8
269.04642	1.9
269.07684	1.8
269.17484	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.02364	0.7
53.03941	2.8
55.01871	3.9
55.05510	21.5
57.03437	40.5
57.07077	4.2
65.03944	2.0
67.05505	79.2
69.07069	35.8
69.41296	5.6
71.01363	0.8
71.04989	5.8
71.08643	1.0
71.59866	0.7
72.69126	0.7
73.02915	1.4
77.03929	1.2
79.05494	46.6
81.03410	1.9
81.07055	100.0
83.04981	12.6
83.08618	17.6
85.06539	6.1
85.14461	0.7
86.26668	0.7
91.05479	23.2
93.07045	79.4
95.04962	5.3
95.08605	25.1
97.06527	16.0
97.10182	2.0
99.04484	1.1
99.08083	4.9
101.06045	0.7
102.96836	0.6
105.04462	0.8
105.07017	8.0
105.20093	0.6
107.04959	1.0
107.08595	40.4
109.06522	3.8
109.10156	4.3
111.08075	10.3
113.05991	1.0
113.09681	1.5
117.07018	9.9
119.08561	2.2
120.06705	0.7
121.06496	1.9
121.10144	27.4
123.08076	0.8
123.11722	2.8
125.05952	0.7
125.09602	1.2
131.08566	11.0
133.10133	7.8
135.08058	3.0
135.11694	13.1
139.07458	0.7
139.11197	2.6
147.11739	2.3
149.09651	1.3
149.13261	58.5
151.11198	0.9
153.09221	1.0
159.11693	23.9
165.12906	1.0
167.14326	1.7
175.86037	0.8
177.12749	14.0
186.51399	0.7
195.13799	19.9
213.14778	1.8
214.77846	0.7
216.29317	0.7
228.10168	1.2
269.17471	81.2
275.96707	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03939	4.5
54.07336	1.7
55.01860	2.5
55.05511	18.4
57.03157	2.3
57.03439	43.0
57.07057	4.1
64.53513	1.5
65.03950	2.6
67.05506	82.9
69.07069	36.6
69.17780	3.3
69.18177	16.3
71.04990	6.9
72.20844	1.8
75.82528	1.8
79.05492	53.0
81.03407	3.5
81.07056	100.0
83.04981	14.1
83.08157	1.8
83.08623	21.5
85.06533	6.8
91.05477	26.3
93.07045	87.9
95.04962	7.1
95.08609	31.7
97.06525	19.5
97.10173	3.6
99.08085	4.7
105.07034	10.7
106.37472	1.6
107.08599	45.4
109.06544	3.1
109.10155	4.7
111.08084	13.1
111.56705	1.6
117.07062	10.2
117.07742	1.9
119.08562	4.3
121.06473	3.8
121.09322	2.6
121.10143	28.3
123.08066	2.1
123.11707	2.6
131.08585	11.2
133.10146	10.0
135.08023	3.5
135.11694	11.4
139.11189	3.3
144.56281	1.7
147.11682	3.8
149.13257	67.9
151.11217	1.9
159.11685	25.1
167.14288	2.4
177.12782	13.1
195.13808	18.3
269.17465	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.52269	2.5
55.01866	5.6
55.05519	20.7
56.00813	2.7
56.68903	2.9
57.03192	4.0
57.03444	44.3
57.07087	8.6
59.17984	2.6
66.44711	2.8
67.05512	70.7
68.73746	2.8
69.07077	32.9
71.04987	6.7
79.05503	41.5
81.03413	4.4
81.07065	100.0
83.04983	11.7
83.08629	16.0
84.67892	2.9
85.06555	7.3
91.05490	27.4
93.07051	75.0
95.04988	5.8
95.08615	24.3
97.06548	15.8
97.10192	5.3
99.08104	5.7
103.22759	2.9
105.07053	10.3
107.08598	38.1
109.06494	4.2
109.10135	6.8
111.08092	7.3
117.07036	8.6
119.08573	6.7
121.06507	2.9
121.10152	27.6
123.11753	3.2
124.33687	2.9
131.08572	8.6
133.10164	11.2
135.08008	3.7
135.11714	8.7
147.11623	3.3
149.13266	56.8
157.10103	3.7
159.11714	23.0
160.54688	2.8
177.12807	10.1
189.61650	3.1
195.13849	17.1
269.17444	69.7
269.22052	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	269.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.01879	4.9
55.05514	7.4
63.36028	2.9
67.05501	21.5
69.03440	5.0
69.07072	18.7
69.41205	27.9
71.04984	6.7
79.05503	33.6
81.07067	38.4
83.04995	11.9
83.08637	3.3
85.06573	6.4
91.05482	22.1
93.07061	45.7
93.78313	3.0
95.04974	11.1
95.08615	26.3
97.06530	23.3
99.04447	4.8
105.07037	34.1
107.04963	20.3
107.08604	39.8
109.06532	12.8
109.10174	8.5
111.04450	4.9
111.08054	5.7
113.06072	4.0
117.07022	11.6
119.04969	9.5
119.08587	10.3
121.06531	23.9
121.10175	10.6
125.06018	24.8
125.09688	3.8
129.06975	4.3
131.08592	15.0
133.06471	4.5
133.10104	7.0
135.08084	10.1
135.11710	24.7
137.05963	4.5
139.07547	6.4
143.07013	4.9
143.08571	5.6
144.09416	3.7
145.06464	8.0
145.10139	47.3
147.11703	13.0
157.08585	3.4
157.10254	4.0
158.07283	4.5
159.08090	4.3
159.11742	25.6
163.11205	100.0
165.12766	3.2
166.03212	4.9
169.10126	6.6
172.08792	3.6
173.09663	52.2
177.12766	4.0
179.08578	6.5
181.12236	37.7
187.11176	39.1
189.12914	4.6
191.10680	25.5
193.09093	3.0
197.09657	9.1
205.12337	18.2
209.11679	4.4
215.10658	37.4
227.12769	26.9
233.11819	35.0
251.12825	15.5
269.17572	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	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03938	4.2
54.94142	1.4
55.01857	2.8
55.05516	18.8
57.03444	37.7
57.07067	6.1
65.03937	2.3
67.05511	86.9
69.03416	2.2
69.07073	32.0
71.04985	5.1
71.08617	1.4
71.38857	2.5
72.99995	1.7
73.02898	2.2
79.05499	44.2
81.03410	3.5
81.07063	100.0
83.04990	12.8
83.08627	20.7
85.02890	1.8
85.06564	9.1
88.24363	1.3
89.61304	1.3
91.05491	23.0
93.07052	77.5
95.04978	7.2
95.08619	27.7
97.02892	1.6
97.06544	17.7
97.10166	4.1
98.97649	1.3
99.08111	6.7
105.07044	10.5
107.07883	2.4
107.08601	43.5
107.45338	1.3
109.06506	4.1
109.10177	8.7
111.08104	11.2
111.11718	1.9
113.05975	2.1
113.09658	1.4
117.07041	11.7
119.08603	2.9
121.06491	2.1
121.10148	25.4
123.11722	3.3
125.09576	1.6
127.44039	1.3
131.08600	10.8
133.10153	10.6
135.08078	3.1
135.11710	14.9
139.11200	2.5
142.38554	1.4
145.10179	3.5
147.11723	2.7
149.13277	61.7
151.11143	2.2
157.10106	1.7
159.11696	27.2
161.79257	1.3
167.14397	1.8
177.12769	14.3
195.13811	19.4
215.14349	1.4
226.06201	1.9
237.10588	1.8
251.16614	2.7
251.19885	1.8
262.72617	1.7
269.08029	3.8
269.17487	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09867	4.7
53.03942	7.6
53.95666	5.6
55.01865	12.6
55.05515	28.3
57.03447	13.8
64.60667	5.4
67.05505	45.5
67.75211	4.6
69.03435	19.8
69.07085	27.1
70.21056	4.7
71.04988	12.6
71.53423	5.0
79.05496	43.1
81.03436	5.8
81.07069	66.3
83.04980	22.0
83.08628	8.9
85.06547	16.1
86.09720	35.4
91.05495	39.8
93.07047	80.2
95.04971	18.3
95.08617	59.7
97.02914	6.1
97.06516	32.3
97.10204	7.1
98.97588	12.1
99.04465	12.3
105.07044	44.6
107.04958	19.9
107.08596	58.3
109.06534	20.1
109.10173	17.2
111.08093	16.8
113.06061	6.2
116.98631	6.3
117.07037	17.7
119.08574	26.6
121.06508	25.3
121.10130	25.3
123.08109	8.7
125.05994	15.3
125.09641	12.1
129.07097	6.0
130.07809	5.2
131.08578	18.0
133.06477	7.2
133.10100	13.4
135.08084	11.9
135.11671	34.8
137.06001	7.1
137.09613	15.5
139.03886	7.5
139.07574	7.8
143.07117	5.6
143.08543	9.7
145.06485	6.1
145.10121	60.7
147.04437	6.2
147.11694	19.0
149.09673	8.4
149.13318	13.9
158.99687	9.5
159.11725	33.0
161.13269	8.8
163.11194	100.0
169.10048	7.9
173.09618	45.6
173.13293	5.7
175.04094	5.0
177.12715	11.0
181.12256	42.9
187.11211	30.0
187.14864	10.3
189.12726	9.2
191.10693	20.6
191.14247	7.3
195.13881	11.7
197.09683	10.4
205.12308	16.9
209.11780	7.7
215.10765	18.1
215.14233	7.2
226.06294	10.1
227.12811	26.7
233.11765	32.5
233.15436	11.0
239.11790	8.2
240.12535	9.6
251.06865	7.1
251.12762	23.8
251.16536	15.0
251.19955	9.5
269.04526	16.7
269.08109	55.6
269.13483	10.1
269.17004	21.0
272.95905	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	269.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50939	1.5
53.55124	1.4
55.01841	1.6
56.96566	52.3
57.07069	2.1
61.02906	2.8
67.05502	2.1
69.03436	7.1
70.98114	3.1
71.52518	1.4
71.95244	2.5
72.96029	1.7
73.02917	1.4
81.03405	2.6
81.07030	1.9
82.06586	1.6
84.96040	10.6
85.02907	7.6
91.05475	3.3
93.44319	1.5
95.04961	2.7
97.02880	4.1
98.57178	1.5
98.96942	2.5
98.97588	42.7
100.07610	2.7
100.99180	1.7
102.96902	1.8
109.02858	1.7
110.07185	3.2
110.13586	1.5
110.97559	6.8
112.07594	2.0
112.99143	2.4
115.00714	8.2
116.98633	19.6
119.01807	1.8
119.04963	3.7
124.99146	5.5
126.97041	4.5
128.02380	1.7
128.98601	4.6
130.08623	1.8
131.00243	1.7
133.01723	3.3
134.99677	5.1
136.06194	49.2
137.06641	41.6
138.02289	1.6
140.98589	2.6
143.00146	9.4
144.98064	12.7
146.99666	1.8
147.04402	10.3
148.36331	1.4
155.00208	1.6
156.03331	73.9
158.99678	10.1
161.01259	7.1
162.99156	20.3
163.03865	2.6
165.68027	1.4
167.15833	1.4
168.03329	31.9
170.99593	2.4
171.04146	1.6
172.94307	1.8
173.01265	2.8
173.02899	1.4
174.04407	35.1
177.00728	8.6
177.02048	1.4
181.00200	6.2
182.01175	1.6
186.04401	100.0
186.99144	4.9
190.95311	2.3
192.05479	3.7
197.07280	2.0
204.05455	45.0
205.00217	20.9
209.06023	2.1
211.02608	1.5
219.01746	3.1
223.01245	30.3
228.01877	3.1
228.05440	64.6
241.02287	2.4
244.99762	9.6
246.02696	3.3
246.03780	2.6
246.06485	42.5
246.08913	2.1
263.00757	4.6
269.05096	4.3
269.10611	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	269.0811
Annotation	5-Hydroxy-3'-methoxyflavone
Peak:m/z	Relative Intensity
51.56129	0.2
55.05496	0.3
57.03421	0.4
59.64086	0.2
67.05514	0.9
68.99791	0.5
69.07055	0.3
70.69733	0.2
71.34380	0.3
79.05478	0.6
81.03468	0.2
81.07061	1.4
81.31559	0.2
81.59816	0.2
83.08588	0.2
91.05486	0.3
93.07025	1.0
94.82859	0.2
95.08601	0.3
95.22450	0.2
97.06503	0.3
107.08589	0.4
121.10140	0.4
133.06514	1.7
135.04474	0.2
137.02318	2.0
149.13271	0.6
158.07321	0.2
159.04449	1.0
159.11699	0.3
186.06696	0.4
195.13837	0.4
226.06261	29.0
241.08577	0.3
254.05772	14.8
258.73657	0.2
259.21106	0.2
269.08102	100.0
270.08490	0.5
285.71158	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9828
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51665	0.4
71.52055	0.3
82.28977	0.3
94.92999	1.6
100.07599	0.4
124.75787	0.3
136.94048	4.6
162.95612	2.8
176.93533	1.3
222.97710	1.2
224.37939	0.3
250.97238	1.1
268.98264	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	85.7
57.03431	4.3
57.07065	2.3
61.02916	4.3
65.95794	1.3
66.09348	1.4
69.03429	6.6
70.06577	1.6
70.98109	1.4
71.51995	1.9
71.95247	3.9
72.96048	3.8
73.02921	2.6
74.97600	2.8
76.48978	1.2
81.03411	3.5
81.04527	1.9
82.06585	49.7
84.08147	6.2
84.96043	27.5
85.02906	12.8
87.04446	1.5
94.93042	1.3
95.04954	1.3
97.02895	4.9
97.99179	1.5
98.97590	48.2
99.04421	1.5
100.07623	100.0
100.99135	4.6
101.00875	7.9
102.97014	4.4
109.02875	5.2
110.01330	2.7
110.97570	4.5
112.99168	1.8
113.00909	2.0
113.02369	2.5
113.03495	1.6
114.05553	2.5
115.00713	23.1
115.02430	2.8
116.98626	26.5
118.00284	1.6
118.03526	1.5
119.01911	14.0
120.98088	2.2
124.99122	7.6
126.97066	9.3
127.03924	3.3
128.98610	1.6
131.00154	2.6
131.01900	4.6
133.01755	12.4
133.03452	3.6
134.99651	10.1
136.06194	43.9
137.01003	1.6
137.02965	2.0
137.05638	2.5
137.06641	32.4
140.00166	1.4
140.98616	5.4
143.00180	20.3
143.01907	2.2
144.98091	30.1
145.03435	4.9
145.04912	1.9
146.08147	3.0
146.99663	2.5
149.01096	1.5
149.99928	1.6
153.00589	2.7
156.03333	2.8
157.01627	1.9
158.99646	25.5
159.03221	1.7
161.01237	17.8
161.02945	2.3
162.99150	70.4
163.99728	2.5
166.01868	2.6
166.96268	1.9
167.00366	2.9
167.01901	1.5
167.99828	1.6
168.98164	2.0
173.02922	1.6
175.04474	2.2
177.00723	33.7
179.02208	2.4
181.00203	25.5
182.00975	1.9
182.06599	3.6
184.02858	6.1
185.02908	2.5
186.00784	3.4
186.04449	3.0
186.06087	1.9
186.99135	17.4
187.00871	3.4
188.00822	2.5
193.00177	1.5
195.01746	3.4
197.01268	4.4
197.03099	2.0
200.02258	1.5
200.07689	4.4
201.00662	1.6
204.05116	1.6
205.00220	52.4
207.01567	2.4
209.01390	3.2
209.03323	1.4
210.06136	8.1
213.02486	2.3
215.00432	3.8
215.07689	1.8
218.01787	2.8
218.08710	1.8
219.01735	3.1
223.01263	94.1
228.01889	14.1
228.04976	3.1
228.07184	64.7
237.02737	2.2
241.02249	10.4
246.02907	12.2
246.08270	71.1
247.03177	2.2
251.04344	5.7
255.03636	1.8
268.98251	31.7
269.05463	8.3
269.10339	14.5
287.06500	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	268.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53811	0.3
56.96559	0.5
58.06611	0.6
58.46916	0.3
60.04541	2.0
61.57941	0.4
63.01869	0.4
69.07104	0.4
69.49222	2.7
70.02975	0.8
71.05009	0.7
74.02449	0.6
79.05501	0.5
83.51657	0.4
88.03999	100.0
98.06065	0.8
98.97581	1.0
99.04471	3.9
107.04972	1.8
107.08577	0.5
117.07040	1.4
126.62422	0.4
134.04507	1.1
135.08086	5.1
136.06197	7.8
137.05978	2.7
139.03935	0.5
144.06561	3.8
145.06546	0.6
149.05936	0.4
163.03897	1.4
163.07571	12.3
167.32239	0.4
177.00838	0.5
177.07877	2.4
181.08606	16.7
191.53490	0.4
194.45374	0.4
201.05455	0.6
204.10191	1.2
206.11777	11.9
222.11232	0.7
233.06718	0.6
250.06952	0.4
250.10945	1.8
250.14447	2.2
268.11847	54.7
268.15295	4.2
274.24387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01865	0.2
56.96563	0.3
57.03419	0.5
61.02932	0.2
68.11853	0.1
69.03418	0.3
69.74614	0.5
69.75028	0.3
73.02943	0.2
85.02898	0.4
90.88354	0.1
94.04069	0.4
97.02889	0.2
117.26524	0.2
119.03546	0.8
123.19212	0.2
136.06187	100.0
137.04544	0.4
137.06514	0.2
163.22118	0.2
183.79105	0.2
267.84698	0.1
268.10410	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.05512	3.0
57.03435	0.4
57.07071	0.8
65.03922	0.6
67.05505	4.5
69.07078	3.0
70.69187	0.9
71.08613	0.4
76.70641	0.4
79.05504	5.0
81.03424	2.6
81.06592	0.7
81.07059	12.7
83.08620	1.8
87.08527	0.4
91.05477	5.7
93.07045	8.3
95.04953	0.4
95.08614	8.8
97.10155	0.7
98.98467	1.2
105.07033	11.2
107.08604	6.6
109.10158	4.6
111.05474	0.4
115.05462	0.6
117.07027	3.5
119.08590	10.7
121.10149	4.3
123.11720	1.3
128.06216	1.3
129.07011	4.5
130.07770	0.8
131.08571	7.9
133.10146	8.4
135.11716	1.8
141.06992	3.2
142.07785	2.7
142.82173	0.3
143.08565	9.9
144.09315	1.0
145.10129	10.1
147.11684	3.8
149.13266	0.8
153.06944	0.9
154.07750	1.1
155.08562	9.4
156.09349	2.5
157.10139	10.7
158.10905	0.4
159.11697	7.1
161.13264	1.7
167.08586	1.3
168.09355	2.5
169.10144	12.8
169.11592	0.7
170.10924	1.8
171.11705	8.2
173.13263	5.8
175.14798	0.9
181.10115	2.2
182.10880	3.0
183.11703	14.8
184.12465	1.0
185.13260	7.8
186.14073	0.7
187.14838	2.6
195.11710	2.0
196.12511	2.0
197.13274	13.5
198.14011	0.9
199.14845	3.8
209.13246	2.0
210.14081	0.8
211.14841	15.7
212.15604	2.6
213.16435	0.7
223.14748	1.8
224.15611	1.4
225.16402	9.4
237.16411	1.0
238.17184	1.3
239.17976	3.6
252.18788	1.3
267.21088	100.0
268.21411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1594
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03943	3.0
55.01883	1.9
55.05518	7.1
57.03199	1.4
57.03442	19.5
57.07064	0.8
59.76212	1.0
61.81219	1.0
66.48116	0.9
67.05510	11.8
69.03432	2.3
69.07047	3.5
71.04982	1.5
71.52709	1.3
71.53072	1.2
72.84770	0.9
79.05496	11.9
81.03423	100.0
81.07063	14.0
82.79211	0.8
83.04995	6.5
83.08631	13.7
91.04922	0.9
91.05486	17.4
93.07036	7.5
93.21050	0.9
95.04974	21.1
95.08627	6.7
97.02859	2.0
97.06541	2.5
97.10197	1.5
98.18880	0.9
98.98469	2.1
105.07041	13.6
106.90219	0.9
107.04955	5.6
107.08605	3.6
109.06519	3.1
111.04478	1.0
111.08073	5.9
119.08601	10.5
121.06486	2.0
121.10152	4.1
123.08040	1.7
123.11709	1.8
129.07019	7.8
131.08582	7.0
133.06517	2.2
133.10120	4.9
137.09590	1.9
142.07732	1.2
145.10069	1.5
147.08026	2.3
147.11705	7.5
149.09637	4.9
157.10150	8.8
165.12756	2.8
175.11217	9.7
193.12253	19.3
211.13361	2.6
249.14912	1.8
267.15924	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03947	4.8
55.01874	2.4
55.05515	6.0
57.03441	17.3
65.03954	0.9
67.05511	11.9
68.91325	0.7
69.03427	2.6
69.07069	3.3
71.04990	1.2
71.38891	0.9
71.39232	1.1
79.05498	11.4
81.03421	100.0
81.07054	13.8
83.04984	3.9
83.08624	15.7
85.06525	0.8
91.05483	18.0
93.07047	6.5
95.04969	20.9
95.08605	4.2
97.02911	2.4
97.06535	2.3
97.10191	1.9
98.98494	1.1
105.07034	12.9
106.70128	0.7
107.04958	5.4
107.08624	3.4
109.06524	3.0
109.10173	1.1
110.20161	0.8
111.04498	1.1
111.08081	5.3
117.07047	1.2
119.07777	1.4
119.08585	10.9
121.06498	1.7
121.10132	4.4
123.08090	1.6
125.09634	1.2
128.06242	1.1
129.07030	5.9
131.08595	6.6
133.06490	2.6
133.10101	4.1
137.09622	1.2
142.07733	1.8
147.08051	3.1
147.11702	8.0
149.09650	4.7
157.10118	9.5
163.11176	1.2
165.12811	2.5
169.10147	0.9
175.11176	10.7
175.12531	0.9
193.12253	24.8
211.13277	3.8
237.14864	0.9
249.14906	1.8
267.15927	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1594
Annotation	Alliacolide
Peak:m/z	Relative Intensity
51.92020	0.5
53.03954	3.3
55.01879	1.6
55.05518	6.2
56.96552	0.6
57.03444	19.9
62.92488	0.5
65.03935	0.6
67.05510	10.5
69.03437	1.9
69.07062	3.0
69.49233	0.6
70.05614	1.7
70.06025	1.0
71.05003	1.8
77.65709	0.6
79.05500	11.0
81.03427	100.0
81.07064	12.9
83.04982	5.2
83.08632	16.4
83.99367	0.5
85.02899	0.7
85.06549	0.6
91.04916	0.7
91.05490	16.0
93.07049	7.7
95.04979	21.0
95.08624	4.1
97.02912	1.5
97.06550	1.6
97.10206	1.3
105.07048	12.4
107.04967	5.1
107.08600	2.2
109.06533	3.0
109.10163	1.4
111.04435	1.1
111.08087	6.0
115.05463	0.7
117.07042	1.8
119.04946	0.8
119.08596	12.4
121.06516	2.1
121.10162	5.1
123.08056	2.0
125.09653	0.8
128.06209	0.7
129.07013	7.8
131.08586	6.8
132.58037	0.6
133.06508	2.5
133.10179	3.8
137.09630	1.4
142.07825	2.7
147.08075	2.4
147.11690	6.7
149.09674	4.0
151.11186	0.6
157.10153	10.4
163.11214	0.7
165.12816	2.0
175.11194	9.2
185.13329	0.8
193.12273	24.0
197.13535	0.5
211.13373	3.3
223.13335	0.5
228.98946	0.6
237.14812	0.9
238.80396	0.6
242.74220	0.7
249.14908	2.3
267.09207	1.9
267.15942	71.9
285.10165	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	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03943	4.4
55.01871	2.1
55.05515	7.8
57.03440	23.5
57.07056	0.8
65.03947	0.7
67.05511	15.5
68.51331	0.5
69.03431	2.6
69.07067	4.4
70.92059	1.0
70.92381	0.7
71.04990	1.6
79.05496	14.5
81.03419	100.0
81.07060	17.4
83.04987	5.9
83.08620	15.5
83.09123	0.9
85.06535	0.9
88.79533	0.5
91.05482	21.0
93.07053	10.3
95.04972	22.2
95.08607	6.3
97.02888	2.7
97.06527	2.4
97.10182	1.9
98.97629	0.7
99.08112	1.0
103.05492	0.9
105.03404	1.2
105.07033	13.5
107.04958	5.4
107.08595	5.9
109.06530	3.7
109.10164	4.1
111.04444	2.2
111.08090	6.6
115.05482	1.1
116.06287	0.6
117.07027	1.8
119.04946	1.1
119.08582	12.5
121.06506	2.8
121.10136	5.9
123.08099	2.0
123.11694	1.3
125.06031	0.8
125.09656	1.0
129.07016	8.9
131.08589	7.8
133.06496	2.5
133.10156	4.8
135.11717	2.1
137.09639	1.5
142.07808	2.4
145.10165	1.8
147.08044	3.2
147.11687	9.1
149.09607	4.0
149.13272	0.8
157.10136	10.1
165.12744	1.6
175.11188	10.5
189.16374	1.2
193.12257	21.2
197.33554	0.6
203.14392	0.8
211.13281	3.1
223.13269	0.8
231.13889	0.7
249.14790	2.2
249.18520	0.9
267.15915	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50713	0.7
55.38524	0.8
58.07466	0.8
60.04528	10.4
65.03934	0.9
70.02953	6.1
71.44419	1.2
71.44741	0.9
88.03996	57.0
91.05486	88.2
102.05547	100.0
121.34234	0.7
130.05019	2.0
136.08434	1.4
146.06006	3.2
148.06055	63.0
152.40240	0.9
188.11623	1.6
202.28346	0.8
206.08122	3.5
220.09703	10.6
230.12624	2.3
234.07722	1.8
248.09174	3.5
248.13690	2.0
266.10306	2.8
266.21176	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Rugosal A
Peak:m/z	Relative Intensity
51.79577	0.5
53.03938	1.9
55.01872	1.5
55.05272	0.6
55.05516	9.1
57.03444	11.2
57.07079	0.8
64.82117	0.5
65.03954	0.7
67.05511	23.5
69.03424	1.5
69.07069	10.0
69.18642	5.7
71.05006	3.1
79.05497	17.7
81.03425	39.9
81.07063	54.4
83.04990	8.5
83.08627	9.5
85.06540	3.1
86.03962	0.6
91.05486	24.3
93.07054	11.9
95.04974	10.5
95.08613	18.2
97.02888	0.7
97.06549	4.2
97.10172	0.9
98.20780	1.1
99.08084	2.9
101.05997	0.7
101.17832	0.5
105.03397	1.2
105.07035	24.7
107.04978	2.5
107.08595	7.9
109.06533	4.7
109.10159	1.9
111.04449	0.9
111.08096	3.7
111.08757	0.6
113.06016	0.9
115.05433	0.9
117.07013	1.6
119.08591	20.7
121.06533	0.5
121.09341	0.8
121.10152	11.1
123.08059	3.6
123.11717	14.0
125.09623	1.0
127.07539	0.9
129.07021	4.1
131.08575	4.1
133.06502	1.5
133.10146	5.2
137.09657	1.2
137.13232	1.6
141.09111	0.8
142.07788	1.3
145.10130	1.0
147.08026	1.3
147.11696	35.3
149.09604	1.8
157.10162	5.4
163.11191	0.8
165.12770	11.5
175.11171	5.3
183.13850	1.3
193.12257	9.5
211.13290	1.2
249.14841	0.7
267.15933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29635	0.4
56.79160	0.4
56.96343	0.5
56.96573	6.1
64.20165	0.4
69.87351	2.2
71.46001	0.5
71.95222	0.5
76.68452	0.4
82.99866	1.0
92.00492	0.5
98.21586	0.5
98.97597	13.2
101.00890	5.6
116.98613	3.7
119.01926	6.4
130.02724	0.4
134.99736	0.8
136.26125	0.5
137.02943	0.7
140.97845	0.6
140.98865	1.7
144.98056	0.8
146.99677	0.4
158.99918	4.6
162.99178	0.6
164.95454	1.6
173.95995	3.3
176.90073	0.6
177.00977	13.1
178.91730	1.3
182.96507	1.7
182.99864	1.6
185.95953	0.6
190.00352	0.5
194.91208	2.2
196.92796	0.9
199.95723	3.2
201.00919	4.2
201.02454	0.6
208.96246	6.5
209.46275	1.1
212.92284	3.1
217.04028	3.2
217.96815	4.9
219.02020	18.9
220.02115	1.0
220.46976	0.6
220.96284	1.0
221.95160	0.7
224.45731	0.5
225.00755	3.4
229.96719	2.4
230.93616	1.0
230.95660	1.1
236.92287	0.7
239.96207	1.5
240.46281	0.5
243.02000	13.7
251.47026	0.7
254.93335	1.7
261.03088	100.0
262.03241	1.2
264.88275	0.5
272.94348	1.6
282.93057	1.1
284.04614	1.6
287.02960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.05514	1.5
55.84638	0.2
57.07090	0.8
60.26644	0.1
62.96013	0.2
65.03933	0.3
67.05514	2.1
67.69057	0.2
69.07072	2.0
70.02744	0.5
71.08605	0.2
79.05492	2.3
81.07064	4.3
81.85480	0.2
83.08614	0.6
91.05486	2.7
93.07051	3.5
95.04961	0.2
95.08611	3.6
103.05442	0.2
105.07031	4.2
107.08598	2.7
109.10165	1.2
115.05475	0.3
117.07024	1.6
119.07810	0.2
119.08594	3.7
121.10134	1.6
128.06219	0.9
129.06998	2.1
130.07800	0.4
131.08583	3.3
133.10127	2.1
135.11676	0.3
137.13206	0.1
141.06992	1.7
142.07787	2.1
143.08562	4.2
144.09315	0.5
145.10127	3.4
147.11668	0.7
152.06255	0.4
153.06996	1.7
153.41866	0.2
154.07732	0.7
155.08571	3.8
156.09349	1.7
157.10129	5.4
158.10873	0.4
159.11697	3.2
165.06996	4.2
166.07790	2.3
167.08569	6.3
168.09348	2.3
169.10129	5.2
170.10866	0.3
171.11702	4.5
172.12541	0.2
173.13239	0.9
178.07819	0.5
179.08557	8.1
180.09351	4.8
181.10130	13.3
182.10913	1.8
183.11702	10.0
184.12279	0.2
185.13246	2.4
191.08549	0.3
192.09314	1.1
193.10141	6.3
194.10918	8.8
195.11699	17.8
196.12482	1.0
197.13251	3.9
205.10172	0.3
206.10832	1.3
207.11690	6.8
208.12483	5.1
208.14482	0.3
209.13258	26.7
210.14035	4.0
211.14751	0.8
220.12517	0.6
221.13260	9.3
222.14021	2.8
223.14821	18.4
224.15561	0.7
235.14839	5.2
236.15608	5.8
237.16376	4.8
241.98665	0.3
250.17183	4.5
263.17929	0.3
265.19516	100.0
266.19937	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.05516	1.9
57.07082	0.4
60.04511	0.8
61.18992	0.3
67.05503	2.3
68.70398	0.3
69.07079	2.0
69.16046	2.9
74.02503	0.3
79.05500	2.7
81.07059	4.8
83.08621	0.5
83.33444	0.3
85.02576	0.3
91.05491	2.9
93.07051	4.1
95.08600	4.3
101.41193	0.3
105.07033	5.1
107.08609	4.0
107.60606	0.3
109.02655	0.3
109.10151	1.6
115.05439	0.5
116.06258	0.4
117.07057	1.5
119.08584	4.8
121.10139	3.0
122.10473	0.7
123.11731	0.4
128.06219	0.9
129.07019	2.2
130.07823	0.5
131.08568	4.7
133.10130	2.9
135.11684	0.8
141.06998	1.8
142.07784	1.9
143.08557	5.4
144.09329	0.4
145.10126	4.5
147.11717	1.0
149.13319	0.3
150.13570	0.4
153.06982	1.1
154.07779	1.1
155.08583	4.5
156.09320	1.8
157.10143	7.7
159.11691	3.9
165.06990	3.5
166.07799	1.7
167.08577	5.6
168.09319	2.0
168.44258	0.3
169.10133	6.2
170.10883	0.3
171.11693	6.1
173.13280	1.0
179.08556	5.1
180.09386	3.5
181.10133	10.7
182.10867	1.3
183.11714	7.5
184.12500	0.5
185.13257	2.8
192.09338	0.5
193.10156	3.5
194.10928	4.6
195.11700	17.5
196.12407	1.1
197.13304	4.8
205.15881	0.5
206.10916	0.6
206.19901	0.9
207.11696	3.5
208.12488	2.9
209.13268	22.4
210.14064	2.5
211.14815	1.0
221.13271	4.4
222.14038	1.3
223.14828	13.7
224.15536	0.6
235.14839	3.2
236.15590	2.9
237.16405	4.1
249.16493	0.3
250.17134	2.9
263.18030	0.4
265.19528	100.0
266.19778	0.7
271.69641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	Abscisate
Peak:m/z	Relative Intensity
53.03939	3.5
54.57939	3.0
55.05505	11.2
57.07061	8.8
59.04987	3.7
65.56711	3.2
66.88450	2.7
67.05499	13.5
68.99799	6.1
69.03433	16.3
69.07073	8.4
69.72749	18.8
75.15213	2.8
79.05493	14.1
81.07058	23.0
83.04990	42.1
83.08607	3.3
85.02930	3.5
85.06523	4.2
86.22180	3.1
91.05491	18.8
93.03414	4.4
93.07067	24.6
95.04980	9.2
95.08608	12.8
97.02882	5.8
97.06547	6.4
98.23107	3.1
98.97557	4.1
105.07053	19.4
107.08604	37.3
109.02881	13.2
109.06509	14.9
109.10171	10.3
111.04425	21.1
111.08093	9.3
113.05994	8.7
115.05441	4.0
117.07036	8.4
119.08612	29.0
121.02914	5.6
121.06513	37.1
121.10175	9.7
123.08096	10.9
129.06993	5.4
131.08583	10.7
133.10143	10.3
135.08070	75.9
135.11676	4.6
137.06009	7.0
137.09602	7.4
143.08534	6.7
144.09335	5.8
145.06499	8.1
145.10126	13.5
147.08051	7.0
149.06029	5.3
149.09616	19.8
153.09145	9.2
155.08607	3.7
157.10156	5.1
158.10986	7.3
159.08058	7.6
159.11673	21.5
161.09682	7.9
163.07571	41.0
163.11229	11.2
165.09172	7.3
168.09349	4.1
171.08070	4.3
172.08813	7.4
173.05847	4.7
173.09677	17.0
173.13283	30.0
183.11722	8.6
185.13278	5.2
186.10429	9.3
187.11169	56.5
191.07050	21.4
201.12770	42.0
205.12234	17.1
211.11171	8.9
219.13734	23.7
229.12254	59.5
247.13313	100.0
265.14383	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	265.1435
Annotation	11,13-Dehydrocarolenalin
Peak:m/z	Relative Intensity
53.03947	2.2
55.01855	1.9
55.05502	3.3
56.96525	1.9
57.03414	1.4
57.07074	1.4
65.03931	1.8
66.30975	1.1
67.05508	9.7
69.03429	6.9
69.07059	2.7
70.87373	1.6
70.87690	2.1
71.04974	2.2
79.05498	8.9
81.03393	2.0
81.07056	8.4
83.04968	3.3
83.08564	1.5
85.02921	1.6
91.05484	15.0
93.07042	12.2
95.04971	21.5
95.08601	6.8
97.02880	3.4
97.06506	2.5
99.04435	2.1
103.05400	2.6
105.07033	36.8
107.04975	1.9
107.08580	8.7
109.06512	9.3
109.10140	2.5
111.03718	2.3
111.04448	39.4
111.08064	2.8
113.06022	1.5
115.05431	4.1
117.07020	8.4
119.08589	25.4
121.02859	8.6
121.06517	9.1
121.10135	5.3
122.07183	2.3
123.04414	2.3
123.08043	4.8
126.62504	1.7
128.06235	3.2
129.06956	5.5
130.07741	4.0
131.04936	2.6
131.08565	20.3
133.06480	16.4
133.10107	6.3
135.08051	9.6
135.11674	1.4
137.05965	2.0
137.09627	2.0
141.06970	4.6
142.07774	2.0
143.08539	8.2
144.05696	1.7
144.09325	3.4
145.02863	1.5
145.06512	9.8
145.09096	1.8
145.10133	20.7
146.07234	2.0
147.08044	27.8
147.11652	3.5
149.05952	3.8
149.09598	4.3
151.07507	2.9
153.07002	1.2
154.07799	1.5
155.06099	1.2
155.08580	2.6
155.10680	5.8
156.09239	1.5
157.06467	3.1
157.10126	6.9
158.07268	10.8
159.06851	1.7
159.08070	20.3
159.11690	19.2
161.06020	1.8
161.09633	11.1
163.07550	3.3
165.09102	3.9
168.09204	2.3
169.10095	2.0
171.08023	3.3
172.08858	7.6
173.06038	2.4
173.09671	6.0
173.13239	6.4
175.07556	31.0
175.11148	4.8
175.12929	1.3
177.05455	2.7
177.09019	1.8
177.12697	1.3
180.84207	1.2
181.06424	1.5
183.11713	6.0
185.09612	1.9
185.13232	2.4
186.10294	1.6
187.07489	2.0
187.11186	16.7
189.09146	9.2
191.06972	2.3
193.08607	36.5
193.10124	2.2
196.08821	2.2
199.11147	4.6
201.09044	1.4
201.12694	6.9
203.10629	4.4
205.04683	1.4
205.08540	1.9
205.12134	2.7
207.10120	2.0
211.11127	6.8
217.08479	1.8
217.12209	3.2
219.10228	1.3
219.13820	2.5
221.13702	2.4
221.17445	1.5
229.12183	10.7
247.13332	16.3
265.14328	100.0
265.17874	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	265.1437
Annotation	Abscisate
Peak:m/z	Relative Intensity
55.05507	8.5
56.63567	3.9
57.07077	5.6
65.70914	4.2
69.03405	11.9
71.92284	4.9
79.05505	10.7
81.07072	6.2
83.04987	51.1
88.04016	11.0
89.57131	5.6
91.05492	36.9
91.33717	4.6
93.07040	19.2
95.04958	10.2
95.08599	4.7
97.02885	7.7
102.05541	17.9
105.07030	19.4
107.08609	32.8
109.02890	13.3
109.06528	13.9
109.10185	5.4
111.04437	25.6
113.05995	9.7
117.07046	11.0
119.06063	4.7
119.08576	30.5
121.06541	41.6
121.10146	8.5
123.08100	7.5
131.08580	13.2
133.10153	5.6
135.07106	8.3
135.08063	78.0
137.09665	5.9
143.08566	5.5
144.09311	5.9
145.06482	11.6
145.10164	10.3
148.06059	12.9
149.06039	7.1
149.09605	21.4
150.10535	4.3
153.09148	11.7
158.10895	9.8
159.08119	7.3
159.11702	17.2
161.09679	5.9
163.07568	50.9
163.11163	9.1
165.09119	5.9
171.08089	5.4
172.08766	6.4
173.05974	4.6
173.09642	19.5
173.13295	33.9
177.12845	5.9
183.11687	6.5
185.13249	4.7
186.10396	18.0
187.11188	64.2
191.07169	23.5
191.14241	4.7
201.12733	49.9
205.12219	19.9
209.08150	6.0
211.11160	11.1
219.13799	17.9
229.12245	56.6
247.13315	100.0
265.14435	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	265.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.5
56.63567	3.9
57.07077	5.6
65.70914	4.2
69.03405	11.9
71.92284	4.9
79.05505	10.7
81.07072	6.2
83.04987	51.1
88.04016	11.0
89.57131	5.6
91.05492	36.9
91.33717	4.6
93.07040	19.2
95.04958	10.2
95.08599	4.7
97.02885	7.7
102.05541	17.9
105.07030	19.4
107.08609	32.8
109.02890	13.3
109.06528	13.9
109.10185	5.4
111.04437	25.6
113.05995	9.7
117.07046	11.0
119.06063	4.7
119.08576	30.5
121.06541	41.6
121.10146	8.5
123.08100	7.5
131.08580	13.2
133.10153	5.6
135.07106	8.3
135.08063	78.0
137.09665	5.9
143.08566	5.5
144.09311	5.9
145.06482	11.6
145.10164	10.3
148.06059	12.9
149.06039	7.1
149.09605	21.4
150.10535	4.3
153.09148	11.7
158.10895	9.8
159.08119	7.3
159.11702	17.2
161.09679	5.9
163.07568	50.9
163.11163	9.1
165.09119	5.9
171.08089	5.4
172.08766	6.4
173.05974	4.6
173.09642	19.5
173.13295	33.9
177.12845	5.9
183.11687	6.5
185.13249	4.7
186.10396	18.0
187.11188	64.2
191.07169	23.5
191.14241	4.7
201.12733	49.9
205.12219	19.9
209.08150	6.0
211.11160	11.1
219.13799	17.9
229.12245	56.6
247.13315	100.0
265.14435	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	265.1436
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.15656	3.7
53.03942	5.7
55.01868	5.2
55.05506	15.9
57.03428	4.8
58.08812	3.1
65.03935	5.1
67.05241	2.8
67.05512	33.1
69.03433	37.5
69.07088	3.9
70.65324	7.6
70.65697	7.0
71.04987	8.2
75.03514	3.9
76.14790	3.2
79.05479	13.8
81.07073	18.4
83.04996	9.3
85.06563	4.3
88.34892	3.0
91.05486	38.7
93.03385	4.0
93.07056	40.5
95.04975	41.7
95.08604	18.1
97.02902	5.4
97.06514	9.3
99.04463	7.0
103.05495	3.4
105.07034	63.2
107.08573	18.1
109.06537	34.3
109.10159	8.4
111.04457	33.6
111.08063	12.8
112.00703	3.9
113.06028	18.6
115.05433	10.0
117.07034	19.0
119.08590	85.6
120.08055	3.6
121.02885	16.4
121.06518	50.0
121.10153	13.5
121.61917	3.5
122.07175	4.8
123.04437	4.3
123.08060	20.0
128.06232	10.3
129.06982	15.7
130.07774	5.8
131.04990	3.5
131.08589	37.7
133.06508	10.0
133.10173	19.0
135.08061	86.4
137.09630	15.6
139.03914	11.6
139.07573	8.4
141.07024	6.7
142.07791	12.2
143.08588	16.6
144.05746	7.3
144.09338	9.4
145.06479	12.9
145.10115	31.5
146.07245	5.4
147.04523	3.8
147.08055	41.5
147.11678	14.7
149.09612	14.6
151.07516	3.9
153.09186	3.6
155.08595	9.3
156.09387	4.3
157.06366	4.2
157.10146	25.4
158.07275	24.8
158.10904	5.3
159.08067	44.3
159.11685	48.2
159.12895	5.3
160.08862	7.8
161.09612	52.2
165.09131	35.6
168.09341	9.5
169.10056	6.1
171.08113	6.3
171.11682	8.3
172.08861	19.1
173.09698	21.9
173.13257	20.5
175.07559	72.3
175.11157	27.5
183.11684	11.3
185.09657	11.1
186.10359	7.4
187.07561	4.4
187.11182	42.8
189.09106	13.4
189.12743	14.3
193.08598	24.5
196.08821	9.6
199.11214	12.5
201.12747	39.2
203.10672	54.6
205.12268	9.4
207.10222	5.8
211.11134	24.5
217.12285	31.5
219.13831	13.8
229.12280	33.9
235.13278	8.3
247.13300	73.6
265.07053	5.7
265.11087	4.4
265.14337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86744	2.4
53.03936	4.5
53.28663	2.4
55.01874	3.1
56.96564	3.2
57.03436	17.0
57.07076	5.1
61.02921	8.5
62.36208	2.4
67.05499	7.6
69.03434	100.0
70.08532	2.2
71.01344	6.1
71.04991	4.4
71.53228	5.4
72.08147	13.6
73.02909	9.2
79.05482	7.4
81.03426	20.0
81.07056	6.2
83.04996	6.5
84.04514	3.0
85.02913	46.0
85.06562	4.7
86.60794	3.1
87.04475	18.6
91.03949	4.8
91.05471	10.0
93.07034	7.1
95.04966	8.9
95.08618	4.7
97.02298	3.9
97.02898	58.7
99.04478	17.7
103.03928	7.1
105.07021	13.8
107.04951	13.2
107.08578	3.5
109.02876	6.3
109.06521	5.7
109.10160	3.6
111.04447	10.7
111.08109	4.5
111.11714	2.6
113.02352	4.7
113.06012	3.4
115.03941	36.4
117.05418	3.3
117.07018	9.8
119.04943	5.0
119.08533	12.3
121.02899	4.1
121.06483	7.0
121.10183	2.7
122.07160	16.1
123.04438	4.9
123.08076	4.5
125.02308	5.2
127.03938	20.4
129.07019	3.1
129.41125	2.5
131.04948	3.5
131.08563	7.6
133.04984	19.5
133.06483	5.9
133.10152	5.6
135.08047	11.0
139.03897	9.5
143.08511	4.7
145.04947	8.8
145.06508	19.3
145.10121	4.5
147.04384	13.3
147.08055	9.7
149.05931	2.8
151.03848	4.0
157.04977	24.3
157.06375	4.2
157.10144	4.4
158.07375	3.2
159.08084	5.3
159.11671	6.4
161.09595	4.2
162.02121	2.7
163.03894	5.0
165.09128	4.8
169.04935	6.1
173.06015	7.3
173.09599	3.9
175.06133	4.6
175.07568	9.3
175.11188	5.3
181.04942	5.2
187.06030	4.4
187.11197	4.4
190.15492	3.7
191.07103	2.9
201.05557	16.5
201.12665	5.3
203.10625	7.9
205.08476	2.9
209.05936	2.8
211.05975	7.6
211.11191	3.2
221.17346	3.0
225.68961	2.6
229.05049	3.9
229.07092	11.5
229.13416	2.6
242.81473	3.3
247.08147	26.9
247.10500	4.2
247.13377	9.8
265.06949	9.3
265.11938	2.4
265.14511	14.3
265.19757	17.1
270.07648	2.4
270.10556	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	264.2324
Annotation	Victoxinine
Peak:m/z	Relative Intensity
53.03935	0.5
55.05520	2.0
57.07086	1.3
60.04526	10.1
65.20492	0.4
67.05511	5.0
68.05833	1.0
69.07071	2.3
71.04397	1.2
72.08141	1.0
79.05486	2.6
81.07058	11.7
82.02942	0.5
82.07404	1.2
83.04982	1.0
83.08635	1.7
91.05505	1.3
93.07048	12.5
93.07639	0.7
94.07394	0.8
95.08612	13.9
96.08941	1.5
97.10174	2.0
98.09701	0.5
98.97597	1.3
105.07036	2.1
106.07379	0.6
107.08599	10.9
109.10156	12.7
110.10480	1.1
114.09174	0.6
116.98602	0.6
119.08575	1.1
120.08939	0.9
121.10128	6.5
122.10434	0.8
123.11708	25.1
124.59003	0.5
133.10138	1.2
134.10440	0.6
135.11696	12.0
137.13252	0.7
147.11670	1.2
148.12035	1.0
149.13266	81.2
150.13554	0.6
162.13667	0.8
163.14813	2.2
176.15172	0.8
204.18335	2.7
205.19519	32.9
219.17320	1.1
246.22917	1.2
264.23233	100.0
265.19568	0.6
265.23636	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
54.85788	0.8
55.05503	2.4
57.07058	1.0
57.91859	0.8
60.04530	86.7
65.85175	1.0
66.01635	0.8
67.05497	3.4
69.07070	6.0
70.76677	1.9
74.22466	1.0
77.70085	1.0
79.05493	4.7
81.07061	36.6
83.08608	2.2
91.05475	2.2
93.07051	28.2
95.08614	13.4
97.10188	2.4
105.07016	2.8
107.08595	12.6
109.10173	11.4
119.52261	0.9
121.10153	100.0
123.11707	4.8
135.11681	10.8
149.13275	26.4
163.14861	1.6
205.19525	55.3
264.14932	1.7
264.23257	11.9
267.73566	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96215	0.7
55.05511	2.1
60.04530	95.6
67.05509	2.9
69.07076	6.4
71.11912	0.9
71.12226	1.2
79.05499	4.8
81.07062	35.6
81.29060	0.8
83.08611	2.2
91.05495	2.0
93.06487	1.4
93.07050	27.2
95.08612	15.0
97.10187	1.7
99.39595	0.8
105.07018	1.5
107.08601	12.3
109.10158	9.8
121.10153	100.0
123.11740	5.1
130.56349	0.8
135.11705	8.6
149.12047	1.4
149.13260	24.7
150.88936	0.8
163.14874	1.3
165.51332	0.8
205.19519	45.8
225.95383	0.7
264.23172	2.7
280.50412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1959
Annotation	Flabelliformine
Peak:m/z	Relative Intensity
55.05486	0.6
56.96568	0.8
57.03433	0.9
69.03421	0.9
70.06596	9.0
71.52962	0.6
72.08151	0.6
78.51299	0.4
78.57952	0.4
79.05467	1.0
81.07053	0.7
83.38532	0.4
84.08151	2.1
85.02892	1.6
91.05465	1.0
92.06261	0.5
97.06532	1.6
98.97588	1.0
105.07007	1.7
109.06505	1.3
119.08539	0.4
120.09365	5.0
126.03733	0.9
127.03903	0.4
132.04422	0.6
134.09645	1.5
135.08093	0.5
147.04396	1.4
148.11224	0.9
149.12009	0.6
158.99588	0.4
160.11198	1.6
162.12727	0.6
166.12299	0.6
174.12729	1.2
183.03117	0.6
188.14328	3.4
189.00714	0.5
189.15129	38.6
190.15865	2.3
195.27406	0.5
200.03749	3.0
204.17488	4.4
205.14537	0.6
206.15497	0.8
217.14629	0.7
217.18265	0.5
218.19086	1.5
220.16959	6.7
228.39407	0.5
235.15692	2.7
246.04288	0.4
246.18533	11.3
264.19586	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03951	1.4
55.05514	15.9
56.30685	0.7
56.96571	2.5
57.03434	1.6
57.07077	10.9
65.03945	2.6
67.05508	88.5
69.07070	18.9
69.79292	2.8
71.04993	1.8
71.08624	6.5
74.05034	0.6
79.05496	22.2
81.07059	98.2
83.04990	2.7
83.08623	15.2
85.06541	4.4
85.10199	3.6
91.05484	21.9
93.07048	29.3
94.07428	0.7
95.04980	2.0
95.08612	100.0
97.06533	8.0
97.10168	8.0
98.97591	7.3
99.08078	4.8
105.07040	21.6
107.07878	1.0
107.08603	20.9
107.09309	1.4
109.06538	1.6
109.10164	53.5
111.08096	4.1
111.11715	1.4
113.09656	3.2
116.98597	4.4
117.07087	1.4
119.08586	19.3
121.10150	23.0
123.08094	2.5
123.11713	24.6
123.12595	1.4
125.09653	2.0
127.11240	2.1
131.08536	1.4
133.10133	21.2
134.99672	2.3
135.11688	11.7
137.09644	3.3
137.13257	9.0
141.12761	2.6
145.10129	1.3
147.11702	24.5
149.13264	8.5
151.11220	1.1
151.14827	9.4
155.14349	2.4
157.07845	1.1
161.13257	15.7
163.14839	9.1
164.02855	0.6
165.16400	10.7
167.14392	0.9
171.09239	1.3
175.14842	9.8
177.16359	2.1
179.17960	5.3
181.15889	1.3
189.16397	4.3
201.10292	0.8
203.17970	25.5
205.19620	0.7
207.17451	0.7
210.10825	0.7
217.19492	1.6
219.21075	0.9
221.19060	1.9
245.22649	38.9
263.23740	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2007
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
55.05515	7.5
56.96547	1.4
57.07074	1.7
59.81211	1.1
67.05505	12.8
69.07072	14.2
71.10608	1.2
71.12733	2.7
79.05077	1.3
79.05500	19.1
81.07059	25.7
82.00478	1.2
83.08623	3.6
86.36672	1.2
91.05482	29.2
93.07047	27.0
95.07982	1.7
95.08609	30.3
105.07037	72.6
107.08604	24.6
109.06506	1.3
109.10160	27.8
117.07017	4.8
119.08589	96.0
121.10146	31.1
123.11698	11.9
131.08554	2.9
133.10138	32.3
135.11694	4.0
145.10135	3.1
147.11696	100.0
149.13329	1.4
159.11655	1.2
161.13286	16.6
163.88135	1.1
171.93500	1.2
175.14835	4.3
177.16396	3.6
184.54823	1.1
203.17966	78.5
212.62244	1.1
214.81657	1.2
221.18983	2.9
263.16510	1.2
263.20090	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	263.2008
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
55.05514	5.1
56.65310	0.8
57.07076	2.4
58.06598	1.7
62.80252	0.9
67.05178	1.4
67.05506	15.7
69.06737	1.0
69.07078	14.3
70.07420	0.8
70.34534	2.2
70.35194	1.0
71.62334	0.9
78.25243	0.9
79.05497	4.5
81.06594	1.0
81.07067	16.5
83.08619	3.2
91.05493	11.5
93.07049	7.9
95.08614	37.0
97.10155	1.1
105.07040	48.2
107.08607	17.5
109.10161	27.7
117.07016	1.7
119.08588	29.2
121.10158	12.7
123.11697	7.9
131.08577	2.8
133.10136	25.5
135.11670	2.7
145.10168	2.2
147.11700	46.9
147.84340	1.0
149.13278	13.3
151.11226	1.4
159.11693	2.0
160.12506	1.4
161.11992	1.5
161.13266	15.9
165.12784	5.7
175.14775	2.7
186.49738	0.9
203.17973	100.0
221.19028	11.9
245.22820	1.2
263.21976	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	263.2007
Annotation	(1R,2R)-1,2-Dimethyl-2-(4-methyl-1,4-cyclohexadien-1-yl)cyclopentanemethanol acetate
Peak:m/z	Relative Intensity
55.05511	5.9
57.07062	3.6
61.75427	1.2
67.05515	11.3
69.07068	10.5
79.05497	3.4
80.03864	1.1
81.07069	13.7
83.08609	2.0
91.05483	11.1
93.07044	9.6
94.16913	1.1
95.04947	1.8
95.08614	28.7
97.10181	1.3
105.07039	46.2
107.08608	16.0
109.10163	29.5
117.06934	1.7
119.07842	1.1
119.08584	30.5
121.10170	11.2
123.11715	7.3
128.87411	1.3
128.94455	1.2
131.08559	1.7
133.09151	1.5
133.10150	25.0
135.11690	1.4
145.10114	2.5
147.11696	41.3
149.13278	11.6
149.85646	1.3
151.11234	1.3
159.11722	2.8
160.12431	2.0
161.13258	14.8
165.12828	6.5
175.14796	3.2
203.17966	100.0
221.19061	10.8
225.70508	1.3
228.76793	1.4
229.08052	1.3
263.20004	3.2
263.24072	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	263.2008
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
50.87243	2.0
53.03938	2.7
53.31381	2.4
55.05511	10.3
56.96568	5.1
57.07076	3.4
57.22174	2.3
60.04525	5.6
67.05508	12.5
69.07078	17.4
69.63683	4.0
69.64097	8.5
73.35822	2.0
79.05496	16.5
81.07062	59.8
81.12367	1.9
83.08620	2.8
91.05489	25.9
93.07050	29.2
95.08616	47.7
98.20766	3.6
98.97585	40.3
105.07035	85.3
106.07391	4.2
107.08598	32.9
109.10155	26.9
111.11720	2.3
115.77819	2.0
116.98637	21.7
117.07058	5.6
119.08589	100.0
121.10152	29.3
123.11692	6.0
127.59081	2.2
131.08557	2.5
133.10132	34.8
134.99663	5.7
135.11703	5.9
140.00233	6.7
145.10146	5.5
147.11699	79.9
148.11978	4.2
158.01294	6.4
161.13275	12.7
175.14900	5.7
180.09816	4.4
191.60695	3.0
203.16028	3.6
203.17966	75.8
204.18304	2.4
263.22092	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2007
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
53.40721	1.1
55.05516	4.6
57.07084	1.9
59.25451	1.1
67.05511	12.9
69.07067	10.5
71.11449	1.7
71.11784	2.2
72.90699	1.2
74.18762	1.2
79.05502	8.6
81.07067	14.6
83.08614	3.0
87.68077	1.5
91.05490	17.0
91.29395	1.2
93.07052	11.4
95.08614	33.2
97.10202	1.9
105.07040	51.4
107.08613	16.9
109.10165	28.9
115.88317	1.1
117.07030	2.1
119.08589	38.4
120.08958	1.5
121.10155	16.3
123.11723	7.0
131.08553	2.3
133.10143	24.9
135.11658	2.4
145.10130	3.3
147.10518	2.5
147.11697	51.4
149.13258	9.9
150.13593	1.4
151.11163	1.3
161.13260	16.9
165.12781	5.1
175.14909	3.3
188.15071	1.3
203.17975	100.0
221.19084	11.2
228.77638	1.2
245.22459	1.7
248.51878	1.4
263.21896	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	263.128
Annotation	Arglanin
Peak:m/z	Relative Intensity
53.03938	1.2
55.01868	3.2
55.05508	2.0
56.96569	2.2
57.03416	1.3
65.03929	2.4
67.05495	3.8
69.03424	4.0
70.03819	2.5
70.04209	2.1
71.04993	1.2
79.05481	2.4
81.07068	3.1
83.04993	2.5
85.02904	4.0
91.05491	31.4
92.05824	7.9
93.07044	3.2
95.04959	5.3
95.08623	11.0
97.02897	1.9
97.06540	14.3
98.97603	7.9
99.04494	2.0
103.05499	3.1
105.03388	2.4
105.07040	10.6
107.04966	9.4
107.08601	4.3
109.06506	2.7
111.04433	2.1
115.05444	2.3
117.07024	1.7
119.04955	1.1
119.08586	7.7
121.06510	4.7
121.10146	2.1
123.04499	5.5
123.08080	100.0
124.99153	1.6
128.06245	1.3
129.07014	2.0
131.04929	9.1
131.08562	5.0
133.02866	2.2
133.06508	7.4
133.10106	2.7
135.04413	2.3
135.08064	6.9
137.05968	4.0
137.09619	1.6
139.07539	2.4
142.07788	2.8
143.00191	1.7
143.08521	2.8
145.06508	2.0
147.08075	5.8
149.05978	1.8
156.09306	2.4
157.10101	3.8
158.99742	1.7
159.08043	4.9
159.11627	2.4
160.08849	1.8
161.06004	10.1
161.09621	4.3
163.07567	3.6
165.09131	94.0
167.07086	4.5
169.06403	1.4
171.04379	2.8
171.11760	3.4
173.09569	2.5
173.13280	1.3
175.07530	1.7
175.11240	6.0
177.09204	1.5
179.03426	1.8
181.10094	1.1
182.99664	2.0
184.08736	1.7
185.09601	2.8
187.07620	2.4
187.11201	4.5
187.63277	1.5
189.00772	1.4
189.05478	13.4
189.12685	1.9
199.03963	3.2
199.11171	9.8
203.10719	10.6
205.08617	10.1
212.08365	3.0
215.10718	5.8
217.04991	6.8
217.12173	2.9
227.10678	4.0
230.56430	3.5
233.11752	6.7
237.94786	1.2
245.11794	7.2
263.05508	2.3
263.12823	13.5
263.15518	1.6
283.35410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99516	8.7
74.21319	9.2
80.56625	8.5
82.54563	9.0
94.06290	7.9
100.27493	8.6
108.26993	9.8
111.83223	9.2
142.36340	8.4
150.56519	8.4
199.96051	7.9
263.01703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1279
Annotation	Arglanin
Peak:m/z	Relative Intensity
55.01856	3.3
55.05511	2.2
56.96553	1.4
63.44794	1.1
65.03931	2.0
67.05497	4.0
69.03423	2.5
71.04977	1.6
71.52746	1.2
79.05482	4.2
81.07047	4.0
83.04980	1.5
85.02908	1.7
91.05484	34.0
92.05814	8.6
93.07038	5.0
95.04961	5.2
95.08608	14.8
97.02898	1.7
97.06528	16.9
98.97582	8.2
99.04498	1.5
102.52518	1.1
103.05456	3.3
105.03384	1.5
105.07031	10.1
107.04946	8.1
107.08579	3.2
109.02901	1.3
109.06523	4.1
111.04448	3.4
115.03947	1.8
115.05448	1.9
116.98605	2.3
117.07018	3.4
119.08580	7.2
121.06496	3.2
121.10168	1.1
123.04431	4.5
123.08073	100.0
129.06989	3.2
131.04944	8.2
131.08566	4.5
133.02852	1.9
133.06470	7.8
133.10133	3.3
135.08057	7.1
137.05972	3.3
137.09627	1.9
139.07518	3.1
142.07762	2.9
143.08559	2.7
145.06462	2.0
145.10103	1.4
147.08043	4.9
147.11711	2.6
149.05969	1.4
149.09607	1.6
155.08446	1.1
156.09340	4.1
157.10065	2.8
159.08049	7.3
159.11696	3.8
160.08833	3.2
161.06001	6.7
161.09616	4.9
163.07532	4.0
165.09126	98.3
167.07066	3.4
168.09485	1.1
171.04347	2.4
171.11711	3.5
173.09669	3.7
173.13354	1.6
175.07437	1.4
175.11218	4.7
177.09067	1.5
179.03461	1.5
182.99629	1.2
184.08899	2.1
185.09659	3.7
187.07562	2.2
187.11128	3.7
189.05489	10.0
189.12674	2.7
199.03937	2.5
199.11200	9.2
201.00710	2.1
203.10681	8.0
205.08612	9.7
215.10677	3.4
217.05054	4.3
217.12167	3.8
221.56017	1.4
227.10683	3.5
230.56506	3.0
231.06641	1.2
233.11723	9.3
245.11742	6.7
249.02768	1.5
263.10059	1.6
263.12823	18.8
263.16537	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66724	7.5
70.11354	11.8
70.11737	19.0
93.45583	7.6
97.68434	8.8
98.20840	14.9
111.99644	8.0
131.03923	8.9
195.34749	8.9
204.39778	8.2
215.93393	10.5
217.27119	8.8
263.01675	100.0
263.04648	9.7
263.05582	10.7
263.64011	8.2
276.14099	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	262.2167
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
55.05505	1.1
57.07066	0.6
58.06613	5.5
60.04511	2.2
67.05508	1.2
69.07067	1.3
69.76823	2.5
73.91111	0.4
79.05489	1.2
81.07061	2.8
84.08150	0.8
85.06530	0.9
88.07599	0.5
88.75650	0.5
91.05488	1.6
93.07034	1.9
95.08607	4.1
96.08130	1.0
98.97577	2.2
105.07023	3.5
107.08578	3.0
109.10162	2.4
116.98629	1.2
117.06976	0.6
119.08585	3.7
121.10099	2.1
123.11726	1.3
131.08546	2.2
132.08868	0.7
132.62628	0.5
133.10121	3.2
134.99562	0.7
135.11690	0.6
137.13248	0.6
143.08565	1.1
145.10127	3.1
146.10471	1.2
147.11700	5.7
149.13254	1.0
150.02599	0.6
157.10103	1.3
159.11662	2.1
160.12144	0.5
161.13364	3.2
170.92000	0.5
171.11705	1.1
175.75848	0.5
177.12711	0.5
185.13248	1.4
187.14836	5.1
199.14861	0.7
202.16693	1.7
203.17964	11.7
204.17514	1.9
205.15889	1.8
209.84187	0.5
227.17957	1.6
244.20605	6.9
245.19031	1.1
262.21664	100.0
263.22128	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2167
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
55.05499	3.4
57.07076	1.4
57.46986	0.9
58.06590	2.3
58.66375	0.7
60.04534	6.6
62.38030	0.8
67.05531	4.0
69.07068	5.6
69.92194	0.8
70.06597	18.7
70.71715	0.9
70.72025	2.1
71.08613	0.9
79.05485	3.2
81.07059	10.3
83.08603	2.5
84.08153	5.0
91.05479	5.9
93.07053	7.6
95.08058	1.6
95.08612	16.7
97.10184	1.3
105.07035	23.6
107.08599	10.3
108.08087	2.7
109.10167	11.6
110.09680	2.7
112.07608	10.5
117.07026	1.1
119.08583	26.1
121.10130	8.6
122.09686	1.3
123.11707	5.6
126.09195	1.7
131.08571	1.2
133.10143	16.1
135.11696	2.7
136.11240	1.7
145.10110	2.5
147.11697	37.9
149.13228	0.8
150.12747	1.2
159.11754	1.9
160.12537	0.9
161.13293	9.4
175.14825	2.2
187.14780	1.3
203.17970	80.5
204.17563	1.0
213.96584	0.8
220.20587	3.4
244.20573	2.0
262.21664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2167
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
55.05515	3.9
57.07061	1.3
58.06589	0.9
60.04526	4.3
60.54661	0.8
67.05505	6.6
69.07067	7.9
69.46086	5.2
70.06593	13.1
79.05490	3.3
81.07051	10.9
83.08601	1.7
84.08110	0.7
91.02161	0.6
91.05470	5.9
93.07043	17.8
95.08609	17.0
96.08105	0.8
105.07030	26.8
107.08598	12.2
109.09474	1.3
109.10161	15.7
112.07607	3.7
117.07047	0.7
119.08585	24.8
119.76839	0.7
120.08965	0.6
121.10144	9.0
123.11714	6.6
131.08618	0.8
133.10133	11.3
135.11699	6.8
138.12753	1.6
145.10077	2.1
147.11676	15.8
159.11617	1.1
161.13260	12.6
163.14819	0.8
175.14822	2.1
177.12250	0.8
188.99217	0.7
193.63690	0.7
202.16725	1.1
203.17986	8.4
220.20544	1.4
246.11255	0.8
247.12123	1.4
262.14383	7.8
262.21652	100.0
263.21957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0381
Annotation	Sulfotyrosine
Peak:m/z	Relative Intensity
50.07478	0.6
56.05030	0.8
56.96562	1.7
58.99587	6.7
59.17625	0.5
67.05502	0.8
68.26228	0.6
69.03434	3.2
70.06593	0.7
70.39729	1.3
70.40118	1.2
79.05536	0.7
83.05000	0.8
84.04498	1.9
85.02930	1.4
86.00664	0.6
86.09718	1.5
86.99057	5.0
88.04007	1.6
91.05498	0.9
97.02928	1.2
98.97565	1.4
99.47227	0.6
100.02201	21.9
100.07651	0.7
105.00093	6.3
110.06014	1.0
110.76572	0.6
111.98553	6.8
112.03911	0.6
124.02189	5.4
126.03719	0.6
127.04029	0.6
129.99591	94.7
134.09666	0.9
136.88890	0.6
138.05470	2.0
142.03255	3.4
146.02716	22.4
147.04399	1.7
149.02328	0.8
150.02679	0.8
150.69470	0.6
152.01656	7.0
154.03210	1.2
154.05009	0.8
163.03865	1.2
170.02702	7.6
172.04213	1.0
176.00133	47.3
188.03770	100.0
193.31477	0.6
198.02200	15.7
216.03261	38.5
216.12318	1.6
226.14319	1.3
234.04329	6.0
244.02795	3.6
262.03799	9.1
262.14557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03943	1.9
55.01864	0.4
55.05267	0.5
55.05515	7.8
57.03439	1.0
57.07079	2.5
65.03944	1.0
67.05507	30.6
69.07072	9.0
71.04980	1.4
71.08635	0.9
77.03932	0.7
79.05496	38.5
81.07060	33.5
83.04972	0.5
83.08619	4.9
85.06545	2.4
85.10159	0.4
91.05487	17.7
93.07047	53.1
95.04967	2.3
95.08610	27.3
97.06537	2.4
97.10172	2.3
99.08096	2.6
105.04534	0.6
105.07037	13.4
107.08600	33.2
109.06531	1.3
109.10165	11.5
111.08097	2.2
111.11700	0.4
113.09637	1.1
114.59189	0.3
117.07007	4.7
119.08592	11.1
121.10149	31.7
123.08098	1.0
123.11716	2.9
125.09648	0.8
127.11118	0.3
130.07733	0.4
131.08575	10.7
133.10136	9.7
135.11699	27.7
137.09627	1.3
137.13240	1.7
139.11270	0.4
145.10124	10.7
147.11699	9.0
149.09604	0.7
149.13268	21.2
151.11208	0.7
151.14810	0.4
153.12769	0.7
159.11696	8.5
161.13264	9.5
163.11215	0.5
163.14830	16.8
165.12737	1.4
172.93761	0.3
173.13269	7.8
175.14848	3.6
177.12863	0.4
177.16406	4.7
179.14317	1.1
187.14836	6.6
189.16470	0.7
191.14468	0.4
201.16368	3.6
203.17982	0.5
205.15784	0.4
215.17908	1.4
217.19568	0.8
219.17381	0.9
233.22646	1.4
243.18555	0.6
243.21100	28.5
261.22153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67552	0.3
53.03944	1.4
55.01870	0.6
55.05515	9.2
57.03433	1.0
57.07071	2.9
65.03943	1.1
66.64234	0.3
67.05507	27.9
69.07075	7.8
69.07442	0.2
69.32040	2.8
70.05980	0.3
71.05025	1.9
71.08636	1.0
76.44383	0.4
77.03935	1.0
79.05495	38.6
81.07059	33.2
82.34666	0.4
83.04969	0.8
83.08621	5.1
85.06549	2.4
85.56309	0.4
85.65003	0.4
91.05485	18.5
93.03429	0.4
93.07047	52.1
95.04972	2.1
95.08612	26.9
97.06538	2.4
97.10181	2.0
99.08102	3.2
105.04526	1.0
105.07037	13.9
107.08599	34.0
109.06523	1.4
109.10159	11.6
111.08083	2.4
111.11711	0.6
113.09644	0.7
117.07025	4.2
119.06055	0.7
119.08583	11.4
121.10151	32.7
123.08075	1.1
123.11720	4.3
125.09629	0.9
129.07011	0.4
130.07748	0.7
131.08571	10.8
133.10139	9.8
135.11697	25.0
137.09628	1.3
137.13263	1.2
139.11191	0.6
145.10121	12.6
147.11694	8.4
147.12810	0.7
149.02316	0.7
149.09630	0.9
149.13268	21.3
151.11183	0.9
151.14844	1.0
159.11694	8.3
161.13261	8.2
163.11208	0.6
163.14828	17.1
165.12755	1.2
173.13281	7.6
175.14856	3.0
177.12857	0.5
177.16394	5.2
179.14352	1.3
185.81429	0.4
187.14818	5.7
189.16338	0.4
191.14304	0.4
201.16393	5.0
203.18076	0.4
205.15952	0.6
215.17941	1.3
217.19492	0.5
219.17487	1.1
233.22646	1.6
243.21095	26.3
261.22153	100.0
262.22049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1851
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
55.05519	3.9
57.07089	2.7
65.03941	5.2
67.05496	8.9
69.07079	16.6
71.53355	2.6
79.05483	6.0
81.07073	15.0
81.39687	1.7
83.08612	2.6
83.82893	1.7
85.10202	2.4
87.45461	1.9
91.05492	10.3
93.07039	15.1
95.04956	2.9
95.08615	18.2
98.97590	6.0
105.07040	17.8
107.08591	17.5
109.06527	7.4
109.10161	12.5
117.07018	14.5
119.08579	18.4
119.39650	1.9
121.10140	10.2
123.04432	2.6
123.08064	3.5
127.07532	2.2
129.66142	1.9
130.07748	4.3
131.08571	25.9
133.10144	9.1
135.04404	2.4
135.08069	2.9
135.11725	5.2
137.09628	15.0
143.08562	4.0
145.10129	74.8
147.11699	6.4
149.02388	19.6
149.03458	3.8
151.03888	2.6
151.11183	15.7
157.10199	3.0
158.99625	4.8
159.11699	27.2
161.13266	7.8
163.11276	12.9
173.09769	1.9
173.13329	10.4
183.11649	3.2
197.11780	2.3
201.16397	90.6
215.11253	3.4
219.17444	100.0
220.10384	3.4
223.52055	2.0
225.16406	7.3
243.17502	11.5
249.93391	2.2
261.07541	2.6
261.12610	3.3
261.14935	7.7
261.18533	35.1
261.26163	20.2
278.90201	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
52.43891	0.4
53.03940	1.9
55.01876	0.7
55.05515	9.5
57.03436	1.1
57.07081	2.7
65.03945	1.6
67.05508	29.1
69.07074	9.3
69.23679	0.3
69.26480	1.0
69.26891	1.7
71.04993	1.4
71.08635	1.0
77.03931	1.0
79.05498	39.7
81.07063	32.7
81.38241	0.4
83.05003	0.7
83.08617	5.2
85.06557	3.3
88.52089	0.3
91.05486	17.0
93.07049	50.5
95.04993	2.1
95.08614	26.3
97.06544	1.7
97.10167	2.4
99.08097	2.9
105.04559	0.9
105.06310	0.4
105.07035	13.3
107.08600	36.0
109.06525	1.5
109.10165	10.4
111.08090	2.7
113.09668	0.9
117.07016	5.1
119.08585	10.5
121.10151	33.0
123.08069	1.4
123.11726	3.6
125.09651	0.9
129.06992	0.4
130.07782	0.6
131.08569	11.2
131.09535	0.7
133.10141	9.1
135.08083	0.8
135.11699	25.0
137.09630	1.3
137.13251	0.4
139.11200	0.9
142.24905	0.3
143.08594	0.5
144.09360	0.5
145.10135	13.8
147.10516	0.5
147.11694	9.3
147.12822	0.7
149.02310	0.7
149.09641	0.6
149.13269	22.5
151.11197	0.7
151.14839	0.8
153.12794	0.8
159.11702	9.0
161.13258	9.9
163.14835	16.9
165.12764	1.0
173.13271	8.3
175.14853	3.5
177.12787	0.5
177.16389	3.9
179.14313	0.9
185.13315	0.4
187.14836	5.3
189.16435	0.7
191.14229	0.4
201.16396	4.8
203.17972	0.6
205.15791	0.4
215.17986	1.1
217.19617	0.7
219.17432	0.7
233.19287	0.3
233.22713	1.0
243.21100	25.9
245.18967	0.4
254.72272	0.3
261.22150	100.0
262.21857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01870	6.2
55.05518	18.2
56.05022	4.5
57.07087	7.9
58.99591	15.3
61.01159	6.7
65.03929	3.7
67.05507	3.3
68.05023	2.3
69.03462	1.3
69.07082	6.9
70.02943	2.1
70.06577	3.7
70.17467	3.4
71.08636	2.0
73.00773	1.4
73.01145	9.5
74.00669	8.0
74.02449	1.7
76.02222	3.9
76.03992	3.0
79.05492	11.2
81.07059	26.4
82.06566	2.6
83.04974	1.3
83.08628	15.1
84.04510	10.8
85.01134	8.5
86.99069	7.4
87.02683	2.2
88.02209	6.0
91.01833	1.0
91.05468	2.2
93.07048	3.0
93.54205	1.1
95.04994	2.4
95.08598	7.2
97.06554	4.9
98.09705	3.7
98.70920	1.2
98.97588	5.7
99.02680	7.7
100.11267	44.4
105.07058	4.1
107.04936	2.0
107.08608	6.2
109.06512	1.5
109.10162	3.2
112.03974	14.7
112.11254	14.3
113.04243	1.9
115.05804	13.7
116.01691	27.5
116.05328	22.5
116.98676	2.1
117.07026	1.7
119.08570	4.0
120.57844	1.2
121.02853	1.1
121.06546	1.8
121.10117	3.4
123.04474	2.3
123.11726	1.5
124.11255	5.3
130.05031	12.0
131.08524	2.6
133.06596	1.2
133.10132	1.5
135.04468	1.2
137.32425	1.0
141.07350	19.9
143.08725	1.4
144.01141	6.8
145.06363	1.0
145.10083	3.1
147.11597	1.3
149.02339	7.8
149.03456	2.2
149.13272	1.8
151.03893	2.8
156.09369	1.1
157.10129	1.6
158.10004	100.0
158.11769	49.4
158.99672	3.3
159.11696	2.6
160.00668	1.1
161.06001	1.4
162.02235	14.3
173.05945	1.6
174.02367	1.4
175.07530	1.3
177.00786	2.1
177.09015	1.2
187.11250	1.1
201.09126	1.5
203.18083	1.6
217.08437	1.4
229.10913	3.0
240.61591	1.0
243.17461	1.5
244.10056	54.9
261.12701	98.0
261.14838	6.0
261.22238	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1123
Annotation	Pertilide
Peak:m/z	Relative Intensity
55.05496	2.1
56.96558	2.2
57.07073	3.0
61.42862	1.5
61.50038	1.4
63.77006	1.3
65.03931	3.2
67.05494	3.4
69.03435	1.4
69.07064	1.8
70.06567	4.1
71.06925	1.9
74.13036	1.3
79.05480	2.0
81.07056	7.2
88.07632	3.1
89.07949	1.8
91.05450	3.7
93.07038	3.7
95.08608	5.1
97.06520	1.7
98.97597	7.0
101.79176	1.5
103.05405	1.5
105.07019	3.3
106.08688	3.9
107.08561	2.9
109.06528	4.4
115.05454	3.0
116.98611	2.2
117.51271	1.3
119.08585	5.1
121.10145	2.5
123.04420	1.8
123.11654	1.7
128.06253	2.3
129.07004	10.6
131.04916	3.1
131.08566	14.2
133.10143	2.7
141.06982	21.2
144.05754	2.0
145.06461	2.5
145.10165	3.2
147.11690	2.3
149.02367	12.4
149.03419	2.8
157.06459	10.5
158.07277	19.8
158.99669	4.3
159.08046	11.3
159.11742	1.5
161.09637	1.5
169.06470	10.6
170.07220	6.9
171.08061	2.2
173.09673	1.8
174.06766	23.2
175.07515	4.9
177.00726	3.0
186.06764	23.5
187.07504	2.8
189.09109	39.0
191.10611	3.1
201.09106	100.0
201.16417	1.9
213.09029	3.1
219.10158	51.3
220.10414	4.3
229.10875	2.3
243.25093	3.8
256.54819	1.5
260.25797	1.6
261.04071	2.7
261.11215	98.5
261.14807	3.9
261.18356	7.1
261.26190	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01871	2.2
55.05509	2.9
56.05036	5.9
56.96569	15.1
57.03423	1.5
60.83483	1.1
61.02934	1.8
64.24747	1.0
65.03941	2.6
67.05495	2.2
69.03421	5.2
69.07079	1.4
70.06586	4.5
70.98139	1.2
71.10164	2.7
73.02912	1.4
79.05487	2.8
81.03410	1.5
81.07070	1.9
84.04512	100.0
84.96049	4.1
85.02906	15.2
86.09709	18.7
87.02699	42.7
91.05490	3.5
92.62282	1.3
93.07042	1.5
95.01353	4.2
95.04999	2.4
97.02904	4.7
97.39877	1.1
98.97591	17.4
99.04465	1.5
102.05582	5.7
104.05338	71.1
105.07047	2.4
107.04962	2.9
109.02898	2.5
109.06538	2.1
110.97607	2.7
111.04488	1.3
112.99124	1.5
114.03777	1.3
116.98631	8.1
119.04960	4.9
121.02865	1.5
123.04442	3.0
124.99149	2.2
127.03912	9.1
128.98650	3.4
129.99628	1.6
130.05013	29.8
131.04996	1.3
132.04799	59.7
132.10213	9.1
132.95905	1.8
133.06474	1.3
134.99689	3.4
135.04497	2.0
136.07547	1.2
139.03926	3.8
140.98663	2.5
143.00162	2.9
145.06483	3.0
145.10149	1.6
146.99699	1.5
147.03404	1.3
147.04417	6.3
149.02371	16.6
149.03510	2.5
149.05986	2.0
151.03943	4.5
153.01877	1.5
158.99602	5.9
159.04466	1.5
159.06650	1.2
159.08099	2.1
160.08760	4.1
161.01250	2.2
163.03934	3.9
164.98605	2.4
165.09122	1.5
170.06375	11.8
170.99710	2.8
173.01285	2.5
173.06021	2.4
177.00742	7.3
177.05544	1.6
182.99695	5.1
187.07506	1.5
188.03799	1.7
189.00734	5.3
191.02386	1.9
197.05937	2.9
197.12852	9.9
198.05943	9.6
201.00746	11.0
201.05524	3.0
207.01804	2.4
215.07031	3.7
215.10789	2.0
216.07330	2.0
219.01773	8.5
219.06477	1.3
225.12329	1.5
231.01598	1.4
233.04381	1.5
237.02855	3.7
243.06563	3.6
243.13429	11.3
244.06384	11.3
261.03778	3.7
261.06250	2.9
261.09152	41.5
261.15048	3.5
261.18616	1.7
261.22345	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0309
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
50.58397	0.1
51.25523	0.1
56.96297	0.2
56.96571	2.6
58.96157	0.2
59.52616	0.1
60.95860	0.2
70.12788	0.5
71.95278	0.4
82.99828	0.8
84.96040	0.6
98.97592	22.2
99.97935	0.6
100.97196	0.9
100.98021	0.6
101.00887	4.7
102.96879	2.7
110.97585	0.5
112.99154	0.2
114.79751	0.1
116.98631	8.5
117.99004	0.2
118.99011	0.2
119.01932	5.3
120.02078	0.2
120.97923	0.9
128.98639	0.2
131.00220	0.4
134.99701	1.6
136.99211	0.3
137.02956	0.3
138.98932	0.2
140.00267	0.2
140.98772	1.2
142.03476	0.2
143.00166	0.5
149.04865	0.2
158.99835	3.9
161.02985	0.3
165.99609	0.2
168.37413	0.1
170.99709	0.4
173.01205	0.5
175.03102	0.2
176.93700	0.3
177.00963	11.2
182.99852	1.6
189.00662	0.5
191.02301	0.4
193.07539	0.2
195.01927	0.2
199.03030	0.4
201.00916	4.1
217.04115	2.6
219.02016	17.2
219.08871	0.3
220.02089	0.2
221.02263	0.2
225.00870	2.5
231.01810	0.3
234.00679	0.3
236.95497	0.2
237.02818	0.2
237.98743	1.5
242.03708	0.2
242.98445	0.4
243.02016	13.9
260.99771	7.7
261.03070	100.0
262.03198	1.5
263.03409	0.3
266.03674	0.2
278.96832	2.7
279.00626	7.9
279.03696	0.3
284.01541	0.3
284.04654	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	48.4
57.03436	1.7
58.72938	0.9
60.95859	3.1
69.03430	3.8
70.98117	5.4
71.52528	1.3
71.95274	3.3
74.97598	2.1
79.05534	1.0
81.03416	1.3
82.06610	1.0
82.99858	1.5
84.08149	2.8
84.96051	13.0
85.02909	4.3
86.09719	5.3
86.97623	1.4
87.17496	0.9
88.99169	1.6
91.05490	1.4
97.02888	1.3
97.96839	0.9
98.97594	100.0
99.04454	1.7
99.97925	1.1
100.07648	1.3
100.99151	1.6
101.00898	10.5
102.96880	17.4
103.00644	3.6
105.44969	0.8
106.68863	1.0
107.08503	0.9
110.97582	16.1
112.99147	9.7
115.02480	1.2
116.98629	34.3
119.01926	18.8
119.04996	1.4
120.97911	6.8
121.01659	4.4
124.99139	5.5
124.99925	1.3
126.97051	2.0
127.00655	2.4
127.03925	3.0
127.69749	0.9
128.98616	10.8
129.02277	4.4
130.08655	1.2
130.93181	1.0
131.00182	5.9
131.01895	2.4
131.03854	1.5
132.95876	1.6
133.01718	1.4
133.03500	1.7
134.99664	8.6
135.03264	2.2
137.02965	2.6
138.98979	1.5
140.98622	13.0
143.00186	11.5
143.01912	1.4
144.98079	1.8
145.01726	1.4
145.03514	1.8
146.99643	4.3
147.03267	2.5
147.04333	1.7
148.05972	0.9
149.01207	1.8
149.04828	1.6
152.98639	5.5
155.00174	4.3
155.01865	1.4
157.01852	1.1
158.99664	23.5
159.00903	1.8
161.01178	6.4
161.03009	2.5
162.99203	1.5
169.01117	1.7
169.03372	1.4
170.99670	13.8
171.03590	1.0
171.05057	3.2
172.94389	1.9
172.97607	1.8
173.01234	8.6
173.02988	3.0
174.99167	2.0
175.02835	2.1
175.06349	1.5
175.51904	1.1
176.93631	1.5
177.00710	21.7
182.99695	3.3
187.04550	2.4
189.00746	13.0
189.02396	1.5
189.04213	1.2
190.01215	1.6
190.95419	1.3
190.98660	2.6
191.02313	8.1
191.03934	1.7
193.00258	1.1
195.01828	3.5
197.03008	3.1
201.00742	18.5
201.02496	4.8
205.00233	1.3
207.01773	6.6
209.55989	1.0
211.02016	1.7
213.00774	2.2
215.00529	1.0
215.03998	10.5
216.96945	1.7
218.98438	1.3
219.01778	33.0
219.03342	2.1
229.03070	4.9
231.01807	2.7
233.05069	4.1
234.97856	1.2
236.95787	1.5
237.02811	14.7
239.02344	2.1
243.01833	4.4
243.04555	1.3
249.02812	1.9
260.95886	5.6
260.99652	6.9
261.02948	28.2
261.05838	68.2
261.09845	4.8
261.14520	1.8
269.05414	1.7
278.96857	20.4
279.00598	5.2
279.03632	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	260.2012
Annotation	Phormidinine A
Peak:m/z	Relative Intensity
54.51570	0.2
57.03434	0.2
69.07082	0.4
70.07398	0.2
70.92262	0.5
72.36314	0.2
79.05487	0.4
81.03412	0.3
81.07057	0.5
87.04462	0.2
91.05481	0.3
93.07047	0.3
94.07395	0.2
95.08625	0.4
97.06543	1.5
98.06858	0.8
98.97605	1.2
102.96780	0.2
105.07015	0.4
107.08571	0.2
117.03415	0.3
118.03685	0.2
118.07370	0.2
119.08572	0.2
131.08549	0.2
145.02933	0.3
147.11769	0.4
158.09848	0.2
158.99652	0.4
160.07545	0.2
163.03922	1.0
164.04242	1.3
173.02356	0.2
174.02696	0.3
174.12785	0.5
177.00746	0.3
187.09894	0.3
188.10765	0.3
200.14355	12.1
201.14990	0.3
202.12279	37.3
203.12624	0.3
204.14011	0.2
212.14398	0.4
214.15933	0.5
216.07451	0.7
217.14708	0.4
220.10342	0.3
228.17424	1.3
230.19055	2.9
238.09528	0.2
244.17010	0.5
245.17691	0.4
260.20114	100.0
261.20471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2012
Annotation	Phormidinine A
Peak:m/z	Relative Intensity
55.05509	0.4
56.11750	0.3
67.05505	1.6
68.32597	0.3
69.15504	2.8
70.06594	0.5
79.05489	0.4
81.07058	0.7
82.06574	0.7
84.08136	1.5
85.06548	7.1
91.05482	1.4
93.07050	1.9
95.08616	2.0
96.08091	0.3
105.07041	3.1
107.08591	2.4
108.08115	1.1
109.06516	0.5
109.10173	0.7
117.07063	0.7
119.08577	2.3
120.08076	0.3
121.10143	0.9
122.09641	0.3
129.07002	0.7
131.08601	1.9
133.10098	1.5
134.09628	1.1
135.08090	0.4
135.11682	0.3
135.68991	0.3
137.09683	0.4
143.08575	1.7
145.10123	3.5
147.11697	2.9
148.11229	0.5
148.12360	0.3
149.09612	0.3
155.08571	0.3
157.10127	1.9
159.11705	2.7
169.10124	0.5
170.10918	0.4
171.11688	0.3
173.09752	0.3
173.13298	0.9
176.14362	7.5
183.11737	0.6
185.13251	5.0
187.11224	0.3
191.99162	0.3
199.14862	0.3
201.16400	5.6
202.15878	0.4
204.13835	0.3
218.19019	0.5
220.15172	0.3
225.16504	1.4
242.19014	4.5
243.17461	6.8
258.24017	0.3
260.20117	100.0
261.20471	0.7
264.63049	0.3
279.52673	0.3
282.53604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05515	11.0
57.07064	2.6
61.44213	1.4
66.34406	1.6
67.05503	8.8
69.06732	2.6
69.07072	31.5
69.18624	6.2
69.19046	11.0
71.05000	30.4
79.05483	7.8
81.07057	16.6
83.04950	3.8
83.08616	9.3
85.06555	21.1
91.05481	14.1
93.07048	17.2
95.04966	3.5
95.08604	13.0
97.06535	6.8
105.07033	24.3
107.08601	20.5
109.06529	11.1
109.10174	13.7
111.08088	20.3
117.07008	4.0
119.08584	54.9
119.61195	1.5
121.10138	13.9
123.08055	1.8
123.11710	26.3
129.07013	4.5
131.08574	16.5
133.10133	33.1
135.08047	23.1
135.11685	5.3
137.09546	4.2
142.07802	2.8
143.08571	8.6
145.10129	31.0
147.08061	2.2
147.11708	20.7
149.09618	3.0
149.13193	2.4
156.09381	2.4
157.10129	14.3
158.10861	3.1
159.11717	30.2
160.12479	3.1
161.09613	2.3
161.13266	43.3
163.11150	2.6
170.10889	2.9
171.11679	13.9
173.13309	10.7
175.11215	3.9
175.14836	100.0
176.15608	7.9
177.12674	2.7
177.16309	2.7
185.13264	14.9
186.07515	1.7
187.14828	2.3
189.12764	6.1
189.16370	6.3
199.14787	4.0
201.16408	25.6
203.14308	7.7
215.17937	6.9
217.19511	3.5
241.19489	18.3
241.34608	1.8
259.20587	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59662	0.6
53.03946	1.6
55.05516	33.6
57.07079	21.0
61.02930	1.9
67.05512	0.7
69.07075	20.9
69.23650	3.7
69.24055	1.5
71.08628	2.4
81.07064	9.7
83.08623	100.0
85.61306	0.6
91.05471	0.7
93.07083	0.6
95.08585	1.1
97.09560	1.1
97.10175	15.2
97.24624	0.5
105.07055	0.9
109.10117	0.6
119.08610	0.6
133.10147	1.0
139.14764	1.4
143.08496	0.7
145.10158	0.7
157.10181	0.7
166.47591	0.7
171.11723	0.6
259.16931	1.1
259.20648	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	259.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
56.05038	3.7
56.96566	10.2
57.03440	1.1
58.06582	1.0
60.95835	0.6
61.02915	0.5
65.00301	0.6
66.35572	0.6
67.05498	2.0
69.03432	3.3
69.07090	1.1
70.06595	1.5
70.98124	1.4
71.04995	1.0
71.34653	0.5
71.34994	0.7
72.08160	2.2
73.02921	1.2
74.02443	72.4
77.35657	0.6
79.05499	0.7
81.03429	2.5
81.07111	0.7
84.04507	100.0
84.08138	7.1
84.96056	1.2
85.02903	4.8
86.09714	1.2
87.04466	1.0
88.99168	0.6
91.05476	1.3
93.07008	0.6
94.06555	0.7
95.04977	1.9
96.04535	0.7
97.02888	3.2
97.06532	0.7
98.97582	8.0
99.04462	0.7
102.05556	2.4
102.09187	6.0
107.04955	1.9
107.08602	0.5
109.02890	1.3
110.97589	2.4
112.07604	2.6
112.99197	0.6
113.06004	2.9
115.03918	0.7
116.98610	2.8
119.01897	2.0
121.02834	0.5
121.06565	0.5
122.06009	3.3
122.09610	0.8
123.04433	0.7
123.08053	0.8
124.07585	2.8
124.99120	1.7
126.09169	0.8
127.03922	1.7
128.98601	1.6
130.05008	49.2
130.08644	73.6
134.99672	0.8
135.04414	1.6
137.05959	1.3
138.09108	2.7
140.03432	0.8
140.98621	1.2
143.00162	3.3
143.05750	0.6
145.01715	1.3
145.02797	0.7
145.04956	0.7
146.99704	0.7
147.04407	0.8
148.03654	0.5
149.02350	2.1
150.09113	4.7
152.10681	2.4
155.00182	1.0
158.99680	4.9
159.34657	0.5
161.01202	1.6
163.02744	1.1
163.03918	6.6
164.04228	0.6
168.10240	2.0
169.01649	0.7
169.08684	0.9
171.03455	0.6
173.01205	2.1
175.02762	0.6
177.00746	5.3
180.03616	1.5
185.01175	0.7
187.08139	1.6
189.00713	1.9
191.02281	1.0
193.04436	0.7
195.11320	0.8
196.09697	24.0
196.56883	1.5
201.00755	0.7
207.01790	1.1
213.00653	1.0
213.05597	1.1
215.07678	0.9
217.00243	4.1
219.01744	0.8
226.07816	0.6
226.54768	0.5
226.57945	1.0
229.00200	0.6
231.01744	0.6
231.06558	2.3
235.01300	4.1
235.08357	0.8
235.58542	1.1
237.02852	0.8
241.11922	0.8
242.10249	8.6
259.04175	2.8
259.06210	2.0
259.12903	46.9
267.03961	1.4
272.41986	0.6
275.04715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01883	10.2
55.05518	7.6
56.05037	10.8
58.99588	11.0
61.01144	4.3
65.98522	1.2
67.05491	1.4
68.05027	5.3
69.07065	2.2
70.06631	1.4
70.42515	4.0
73.01132	1.3
74.00677	1.7
76.02254	2.9
76.03995	2.3
79.05495	47.3
80.05021	4.6
81.05795	1.5
81.07061	27.2
82.06590	11.9
82.72628	1.2
83.08642	1.7
84.04509	12.1
85.01133	82.8
85.04035	5.7
86.00659	29.2
86.99054	4.8
88.02220	3.7
91.05468	1.9
92.01754	2.3
93.07042	4.5
94.06563	7.1
95.08604	3.7
96.08138	10.4
97.01135	3.4
97.06541	14.6
97.08921	10.2
98.09697	30.7
99.24656	1.4
100.02207	2.6
105.04547	2.0
105.07034	5.3
107.07362	1.8
107.08568	1.9
108.08143	4.5
109.02954	1.4
109.08921	3.9
110.09686	12.0
111.02670	2.2
112.03956	11.0
113.04234	100.0
116.01682	19.8
117.03374	1.3
120.27185	1.4
122.09682	12.0
123.10464	3.5
130.05011	39.1
131.04567	3.7
135.04416	1.4
137.66342	1.3
139.05765	6.6
143.02759	3.4
144.01167	3.9
156.08452	68.6
156.10225	35.2
161.02362	3.0
162.02180	6.1
163.03906	6.8
173.02361	6.7
177.03287	9.2
189.03319	6.6
215.07048	7.6
242.08470	22.9
259.11191	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0967
Annotation	Rhapontigenin
Peak:m/z	Relative Intensity
50.46407	0.8
53.03949	10.0
54.82901	0.8
55.01868	2.7
55.05522	1.5
57.03436	1.8
67.05501	2.0
69.03435	6.5
69.07072	2.1
70.19098	0.8
71.01358	6.8
71.05003	2.1
71.53861	1.5
71.66242	0.9
73.02923	1.5
79.05492	3.2
81.03435	11.3
81.07072	1.3
83.05000	1.8
85.02914	4.9
87.04471	3.0
91.05479	5.9
93.07050	4.9
95.04981	3.0
95.08585	2.0
97.02901	3.3
97.06543	9.2
98.97587	0.8
99.04476	1.1
103.05475	1.6
105.07034	2.9
107.04941	1.3
107.08571	1.0
109.02888	31.8
109.10152	1.2
109.61072	0.7
115.03930	2.9
115.05470	6.9
117.07040	2.0
117.40164	0.8
119.08634	2.0
121.06493	4.3
123.04414	4.0
127.03904	2.2
128.06248	2.3
129.07018	3.4
131.04951	1.6
131.08594	1.9
133.06509	5.6
135.04433	1.1
137.05963	4.3
141.07014	6.3
142.07788	1.6
143.04953	1.7
143.08556	4.5
145.06467	1.5
147.04428	3.7
149.05968	5.7
150.06776	1.9
152.06189	2.6
156.05629	1.3
157.06519	3.8
157.10164	2.6
160.05214	35.3
160.06546	1.8
161.06000	70.0
163.03912	5.6
165.06984	1.1
167.08575	5.7
169.06502	3.1
170.07172	1.3
171.04402	1.4
171.08058	2.0
173.02391	3.1
173.05966	4.0
174.06779	2.9
175.03934	3.5
175.07535	2.3
176.06090	0.9
181.06529	2.0
184.05215	6.1
185.06018	5.2
185.09668	5.9
187.07553	3.7
189.01839	1.4
189.05603	2.3
189.09125	73.8
195.08075	8.7
197.06052	2.4
198.06779	2.4
198.92349	1.0
199.07532	1.5
200.04819	1.3
201.05423	2.0
201.09169	1.6
202.06210	1.7
203.07101	2.2
204.87050	0.9
212.04701	1.4
213.05585	2.3
213.09123	17.3
215.07047	28.8
217.05147	1.4
217.08623	26.3
223.07440	1.5
226.06267	1.4
229.04994	3.1
229.08612	1.2
230.05804	3.7
231.06500	1.6
231.10214	7.1
241.08615	10.6
259.09714	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01875	2.5
55.05508	2.1
56.05038	20.2
58.99293	0.5
58.99586	5.9
59.96728	0.3
60.04534	0.8
61.01151	1.5
67.05497	0.6
68.05029	3.6
69.03429	2.9
69.07062	0.5
69.75911	1.6
70.02955	3.2
70.06593	0.7
70.99591	1.8
71.04995	0.4
72.08139	0.3
73.01157	1.5
73.02933	0.4
74.00671	1.2
74.02442	1.3
74.08606	0.3
76.02230	1.2
76.04005	2.5
79.05496	4.7
80.05013	3.4
81.03423	4.8
81.05796	0.8
81.07056	3.9
82.06591	1.0
83.08614	0.7
84.04501	4.2
84.08142	1.7
85.01130	10.1
85.02909	1.8
86.00658	5.8
86.99048	2.8
87.02695	4.7
87.04462	1.1
88.02225	1.7
88.04021	0.3
91.05470	1.1
93.05770	0.3
93.07043	0.9
94.06571	2.7
95.07358	0.4
95.08625	1.0
96.08139	2.9
97.01136	2.6
97.02908	3.6
97.08914	0.4
98.09695	33.0
98.21461	0.6
99.04447	0.5
99.05581	0.8
100.02211	0.6
102.03785	0.6
102.05550	8.2
102.06187	0.6
102.87469	0.3
104.04931	0.5
105.07050	1.5
106.06533	0.5
108.08143	2.2
109.02871	2.9
109.08900	1.0
110.09684	6.6
111.02646	0.5
112.03970	4.4
113.04233	15.2
114.00102	0.3
114.03793	1.5
114.05478	0.4
115.03957	2.7
115.05762	0.4
116.01679	14.1
116.03461	0.5
116.04989	0.9
118.05273	0.6
119.04961	0.4
122.09673	3.3
123.10460	0.7
127.03924	1.8
128.04980	0.8
130.05000	4.0
130.06874	4.3
130.08630	2.7
130.33063	0.3
131.06071	1.2
133.06693	0.4
133.07599	1.9
134.15155	0.3
139.05794	0.9
141.07027	0.4
143.02756	2.1
143.04840	0.4
143.06033	0.5
144.01154	2.6
145.06067	2.1
146.02768	0.3
146.06039	0.7
149.02370	0.5
156.08443	23.1
156.10219	28.8
157.06480	0.5
158.07133	2.3
162.02240	3.0
170.07155	6.8
171.07936	0.4
184.07988	0.5
185.05988	0.3
187.07642	0.4
188.03790	0.7
188.08200	30.1
189.03322	2.2
197.05916	0.5
202.09015	0.3
206.09262	0.7
213.05418	0.6
213.10574	0.9
214.06111	14.0
215.05370	2.0
216.06865	9.2
231.06555	0.4
231.08694	0.6
232.07172	22.9
234.08792	0.6
241.07249	0.8
242.08546	2.6
259.08298	100.0
259.11145	68.5
260.06650	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01877	3.4
55.05517	3.1
56.05044	24.9
58.99295	0.5
58.99590	8.5
60.04530	1.2
61.01154	1.4
67.05505	0.8
68.05041	3.9
69.03439	3.7
69.05812	0.4
69.07078	0.8
70.02965	3.9
70.06594	0.8
70.78884	0.3
70.99585	2.4
71.53411	0.9
71.53782	0.4
72.08161	0.7
72.79047	0.4
73.01138	1.6
73.02931	0.5
74.00665	0.9
74.02435	1.9
76.02231	1.0
76.04005	3.9
77.12292	0.4
79.05070	0.6
79.05506	6.1
80.05031	4.0
81.02981	0.6
81.03429	6.1
81.05796	0.9
81.07058	4.7
82.06586	1.6
83.08627	0.6
84.04513	4.4
84.08149	1.8
85.01138	13.4
85.02905	1.5
86.00665	7.8
86.09742	0.4
86.99067	4.3
87.02711	5.5
87.04476	1.5
88.02222	3.0
88.03998	0.7
91.05491	1.5
93.07043	1.5
94.06583	3.4
95.07371	0.8
95.08620	1.1
96.08155	4.0
97.01127	2.0
97.02921	3.0
97.08930	0.9
98.09705	42.7
99.02706	0.5
99.04450	0.6
99.05574	1.1
100.02215	1.1
100.04032	0.4
101.04221	0.4
101.06037	0.5
102.03786	0.7
102.05555	9.6
105.07052	1.5
108.08139	3.5
109.02894	3.5
109.08907	1.6
110.09702	9.6
111.02676	0.6
112.03976	5.7
113.04245	21.2
114.03770	1.7
114.05541	0.9
115.03276	0.4
115.03955	2.3
115.05806	1.6
116.01695	17.9
116.04946	0.6
118.05325	0.7
122.09684	5.1
123.04430	0.7
123.10463	1.5
127.03932	1.9
127.05775	0.5
128.05042	0.9
130.05025	5.2
130.06891	5.8
130.08641	3.4
131.06088	1.9
133.06659	0.4
133.07643	1.7
139.05774	1.3
143.02759	3.2
144.01151	3.2
145.05081	0.6
145.06102	2.8
146.05945	0.6
149.02350	0.9
156.06523	0.8
156.08452	31.7
156.10226	35.3
158.07198	2.2
160.00664	0.9
162.02272	4.0
170.07185	6.3
184.07903	0.7
188.03760	1.7
188.08214	27.6
189.03360	2.3
206.09297	0.7
213.05472	0.5
213.10622	0.9
214.06146	14.0
215.05676	1.7
216.06888	11.7
229.07231	0.5
231.06618	0.9
231.08717	0.8
232.07201	23.1
234.08827	0.8
240.74504	0.4
241.05000	0.4
241.07260	1.2
242.08498	3.1
256.71228	0.4
259.08310	100.0
259.11163	90.5
260.06577	1.1
269.20596	0.5
276.47748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05683	0.7
55.01851	0.9
55.05502	1.7
56.96568	1.0
57.03439	2.4
57.07051	0.8
59.04998	1.8
60.44606	0.7
65.03941	5.6
66.77832	0.7
67.05508	65.1
68.05865	0.9
69.07070	28.5
70.06594	1.1
71.04987	1.5
71.54627	0.9
73.06557	3.8
81.07059	1.9
81.93237	0.8
85.06537	1.8
86.09708	76.6
87.08105	2.3
94.06583	1.0
95.04971	100.0
95.08613	1.2
96.08991	0.7
97.06538	2.1
98.97583	1.2
112.07611	26.6
113.06006	9.0
119.05065	0.9
124.07588	4.4
128.98514	0.7
129.09148	2.6
142.06076	0.8
142.33891	0.8
146.10606	1.2
146.11761	30.7
152.07228	0.8
152.14404	1.3
158.99739	0.9
160.12080	1.0
180.13843	46.7
208.13315	1.2
212.16431	0.8
234.99046	1.9
240.15958	99.7
258.00879	1.0
258.05414	3.6
258.24289	3.4
266.50876	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49149	0.7
52.66730	0.7
55.05512	1.5
55.68709	0.7
57.03435	4.2
57.07068	0.9
59.04991	1.9
65.03939	5.5
67.05511	59.1
69.07072	27.6
70.04080	20.4
70.78761	1.5
70.79125	1.5
71.05015	2.0
71.11031	0.8
71.44199	0.8
71.50561	0.8
73.06553	3.6
73.64386	0.8
76.30368	0.7
76.70461	0.8
77.23954	0.7
79.05460	0.7
81.07046	1.4
85.06554	4.1
86.09710	83.1
87.08096	1.5
93.92178	0.7
95.04972	100.0
95.08542	1.1
97.06525	1.7
98.97640	0.8
99.08129	0.9
104.47605	0.7
107.08613	0.9
107.82196	0.7
112.07608	25.3
113.06013	22.9
113.24154	0.7
116.98663	0.9
124.07600	4.9
129.09091	3.0
138.09081	1.2
146.11763	37.2
152.14328	1.2
180.13850	44.5
208.13309	1.9
212.16336	0.8
240.15959	95.8
258.02084	5.7
258.04575	1.1
258.16998	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79608	1.2
53.03952	2.4
55.01881	7.5
56.96567	59.9
57.03440	21.8
60.95840	2.0
61.02931	26.2
68.00276	2.0
68.98276	1.7
69.03434	43.9
70.03764	2.1
70.06590	2.1
70.98109	4.8
70.99830	1.4
71.01368	2.7
71.04996	9.2
71.51742	1.7
71.95285	2.7
73.02924	22.0
73.06542	1.8
73.33573	1.5
81.03432	20.6
82.06579	6.0
82.99864	4.0
83.00795	2.2
84.04507	2.8
84.96030	5.9
85.02911	100.0
86.03226	4.0
86.03683	1.9
86.92444	1.3
87.04470	6.7
88.49303	1.4
88.99123	1.7
89.00813	3.3
91.03957	5.4
91.05485	2.4
95.04946	1.6
97.02291	2.9
97.02898	47.0
98.01311	2.9
98.03181	2.8
98.97591	53.0
99.04472	9.4
100.00120	2.3
100.07607	12.4
100.99163	5.4
101.00874	19.8
101.02399	2.7
102.00978	2.1
102.96921	1.5
103.02420	2.0
104.01281	2.6
104.10746	5.8
109.02885	14.0
110.01299	8.1
110.97574	21.0
111.02914	1.4
112.99133	5.9
113.00863	5.8
114.09174	1.3
115.00635	3.2
115.02441	6.3
115.03928	3.4
116.98621	14.6
117.02018	2.8
117.03973	1.4
118.01079	3.2
119.01881	36.0
119.04936	3.2
120.00706	1.4
120.02011	2.4
121.01606	3.0
121.03492	1.6
123.02919	1.8
124.95513	4.2
124.99181	8.8
125.00000	2.2
125.01810	1.6
125.03465	1.7
126.02401	2.0
126.06645	4.9
126.97047	2.6
127.00679	5.8
127.02467	15.5
127.03916	42.0
128.02353	9.2
128.04251	1.5
128.98616	15.8
129.02176	2.4
130.05028	2.1
131.00203	4.4
131.01898	15.3
132.00772	4.1
132.03427	3.2
133.01628	3.4
133.03455	9.2
134.02321	1.3
134.03548	1.7
134.99651	2.3
136.99139	2.8
137.02901	2.4
138.02522	2.6
138.03535	1.4
139.02425	4.2
140.02324	2.7
140.98640	1.5
141.03987	2.2
142.01097	1.6
142.96582	1.9
143.00156	14.4
143.01839	7.2
144.01964	1.5
144.03392	3.7
144.98117	4.3
145.01743	10.5
145.03474	41.2
145.04959	18.5
146.02361	4.4
146.03632	5.4
146.05154	1.5
146.99626	7.8
147.01305	2.0
147.03194	4.6
147.04407	4.9
148.02016	4.9
148.03841	2.2
148.04936	1.8
149.01157	2.0
149.02895	3.0
152.02354	2.4
152.98543	2.2
154.02084	3.4
154.96516	1.7
155.00183	7.4
155.01906	5.7
155.02986	2.1
155.04675	11.6
156.02655	2.5
156.98119	10.3
157.02541	4.0
157.03622	13.8
158.99641	7.0
159.03145	3.2
159.05051	5.2
160.02065	2.8
161.01335	11.5
161.02798	12.5
161.05638	17.9
162.03372	1.5
162.99098	2.6
163.02701	3.5
163.04482	2.8
165.00754	2.6
166.49214	1.6
167.01857	3.0
168.01826	5.9
168.03593	4.8
168.04826	2.5
168.06337	2.3
168.54689	1.6
168.56151	1.6
169.03510	5.3
170.03511	3.5
170.06207	2.6
170.95999	3.3
170.99660	13.6
171.03165	3.0
172.97610	5.6
173.01256	13.6
173.02991	18.1
174.03094	3.2
174.97679	3.1
174.99159	30.8
175.00696	2.8
175.02541	2.0
175.04544	5.8
177.00746	5.1
177.02373	8.7
177.04198	11.9
177.05685	1.6
182.01941	1.7
182.03311	8.7
182.99612	1.7
183.05090	2.3
184.04770	1.9
185.01537	1.6
185.02989	9.0
186.07468	1.6
187.04536	5.3
188.02339	2.6
188.04787	4.4
188.97110	5.1
189.00722	15.2
189.02480	6.7
189.04178	2.8
190.98666	7.5
191.02252	7.1
191.03973	31.8
192.05669	3.3
193.00237	25.3
193.03439	1.4
196.09697	1.7
199.04538	4.4
200.04381	12.8
201.00693	2.6
202.06058	1.5
202.98598	2.0
203.03963	8.3
204.07156	9.2
205.00252	2.8
206.03448	2.6
207.01770	10.6
208.99731	6.1
209.03261	2.3
209.05038	3.3
211.01384	1.8
211.98782	1.5
212.02490	2.1
212.04443	2.3
212.13756	2.1
213.03273	1.7
214.98616	2.3
217.00194	13.6
217.02023	4.8
217.05521	2.6
219.01677	7.1
219.05226	3.1
219.07162	1.7
220.99731	2.3
221.04991	3.8
222.08263	3.1
226.05739	1.7
231.03529	4.2
232.03661	4.7
232.99777	8.8
233.03401	2.9
233.05164	29.6
234.05453	1.5
235.01231	32.6
235.06641	10.3
237.02789	4.8
244.03758	1.5
245.05061	5.7
249.06332	3.4
251.00816	3.8
251.04201	2.8
251.06422	2.9
253.02303	15.2
253.04836	1.9
253.07700	10.8
258.02853	3.1
258.05743	5.4
258.08368	9.9
258.10852	2.4
258.14517	4.5
263.00909	3.2
263.06259	2.5
275.06119	2.6
276.09518	9.0
277.02502	1.8
277.07382	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79608	1.2
53.03952	2.4
55.01881	7.5
56.96567	59.9
57.03440	21.8
60.95840	2.0
61.02931	26.2
68.00276	2.0
68.98276	1.7
69.03434	43.9
70.03764	2.1
70.06590	2.1
70.98109	4.8
70.99830	1.4
71.01368	2.7
71.04996	9.2
71.51742	1.7
71.95285	2.7
73.02924	22.0
73.06542	1.8
73.33573	1.5
81.03432	20.6
82.06579	6.0
82.99864	4.0
83.00795	2.2
84.04507	2.8
84.96030	5.9
85.02911	100.0
86.03226	4.0
86.03683	1.9
86.92444	1.3
87.04470	6.7
88.49303	1.4
88.99123	1.7
89.00813	3.3
91.03957	5.4
91.05485	2.4
95.04946	1.6
97.02291	2.9
97.02898	47.0
98.01311	2.9
98.03181	2.8
98.97591	53.0
99.04472	9.4
100.00120	2.3
100.07607	12.4
100.99163	5.4
101.00874	19.8
101.02399	2.7
102.00978	2.1
102.96921	1.5
103.02420	2.0
104.01281	2.6
104.10746	5.8
109.02885	14.0
110.01299	8.1
110.97574	21.0
111.02914	1.4
112.99133	5.9
113.00863	5.8
114.09174	1.3
115.00635	3.2
115.02441	6.3
115.03928	3.4
116.98621	14.6
117.02018	2.8
117.03973	1.4
118.01079	3.2
119.01881	36.0
119.04936	3.2
120.00706	1.4
120.02011	2.4
121.01606	3.0
121.03492	1.6
123.02919	1.8
124.95513	4.2
124.99181	8.8
125.00000	2.2
125.01810	1.6
125.03465	1.7
126.02401	2.0
126.06645	4.9
126.97047	2.6
127.00679	5.8
127.02467	15.5
127.03916	42.0
128.02353	9.2
128.04251	1.5
128.98616	15.8
129.02176	2.4
130.05028	2.1
131.00203	4.4
131.01898	15.3
132.00772	4.1
132.03427	3.2
133.01628	3.4
133.03455	9.2
134.02321	1.3
134.03548	1.7
134.99651	2.3
136.99139	2.8
137.02901	2.4
138.02522	2.6
138.03535	1.4
139.02425	4.2
140.02324	2.7
140.98640	1.5
141.03987	2.2
142.01097	1.6
142.96582	1.9
143.00156	14.4
143.01839	7.2
144.01964	1.5
144.03392	3.7
144.98117	4.3
145.01743	10.5
145.03474	41.2
145.04959	18.5
146.02361	4.4
146.03632	5.4
146.05154	1.5
146.99626	7.8
147.01305	2.0
147.03194	4.6
147.04407	4.9
148.02016	4.9
148.03841	2.2
148.04936	1.8
149.01157	2.0
149.02895	3.0
152.02354	2.4
152.98543	2.2
154.02084	3.4
154.96516	1.7
155.00183	7.4
155.01906	5.7
155.02986	2.1
155.04675	11.6
156.02655	2.5
156.98119	10.3
157.02541	4.0
157.03622	13.8
158.99641	7.0
159.03145	3.2
159.05051	5.2
160.02065	2.8
161.01335	11.5
161.02798	12.5
161.05638	17.9
162.03372	1.5
162.99098	2.6
163.02701	3.5
163.04482	2.8
165.00754	2.6
166.49214	1.6
167.01857	3.0
168.01826	5.9
168.03593	4.8
168.04826	2.5
168.06337	2.3
168.54689	1.6
168.56151	1.6
169.03510	5.3
170.03511	3.5
170.06207	2.6
170.95999	3.3
170.99660	13.6
171.03165	3.0
172.97610	5.6
173.01256	13.6
173.02991	18.1
174.03094	3.2
174.97679	3.1
174.99159	30.8
175.00696	2.8
175.02541	2.0
175.04544	5.8
177.00746	5.1
177.02373	8.7
177.04198	11.9
177.05685	1.6
182.01941	1.7
182.03311	8.7
182.99612	1.7
183.05090	2.3
184.04770	1.9
185.01537	1.6
185.02989	9.0
186.07468	1.6
187.04536	5.3
188.02339	2.6
188.04787	4.4
188.97110	5.1
189.00722	15.2
189.02480	6.7
189.04178	2.8
190.98666	7.5
191.02252	7.1
191.03973	31.8
192.05669	3.3
193.00237	25.3
193.03439	1.4
196.09697	1.7
199.04538	4.4
200.04381	12.8
201.00693	2.6
202.06058	1.5
202.98598	2.0
203.03963	8.3
204.07156	9.2
205.00252	2.8
206.03448	2.6
207.01770	10.6
208.99731	6.1
209.03261	2.3
209.05038	3.3
211.01384	1.8
211.98782	1.5
212.02490	2.1
212.04443	2.3
212.13756	2.1
213.03273	1.7
214.98616	2.3
217.00194	13.6
217.02023	4.8
217.05521	2.6
219.01677	7.1
219.05226	3.1
219.07162	1.7
220.99731	2.3
221.04991	3.8
222.08263	3.1
226.05739	1.7
231.03529	4.2
232.03661	4.7
232.99777	8.8
233.03401	2.9
233.05164	29.6
234.05453	1.5
235.01231	32.6
235.06641	10.3
237.02789	4.8
244.03758	1.5
245.05061	5.7
249.06332	3.4
251.00816	3.8
251.04201	2.8
251.06422	2.9
253.02303	15.2
253.04836	1.9
253.07700	10.8
258.02853	3.1
258.05743	5.4
258.08368	9.9
258.10852	2.4
258.14517	4.5
263.00909	3.2
263.06259	2.5
275.06119	2.6
276.09518	9.0
277.02502	1.8
277.07382	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.8
57.07074	1.4
57.49115	0.5
61.91631	0.6
67.05509	9.4
69.07069	5.3
69.23415	2.9
69.23841	2.4
69.31303	0.7
79.05502	6.3
81.06590	1.0
81.07063	19.1
82.43694	0.6
83.08620	4.4
85.06501	0.6
91.05486	6.1
93.07053	17.2
95.04986	1.1
95.08615	24.3
95.13388	0.6
97.10165	1.8
105.04547	0.6
105.07037	22.0
107.08604	19.1
109.06541	0.7
109.10161	18.3
115.25908	0.6
117.07007	3.1
119.08591	18.8
121.10147	14.7
123.11723	5.9
129.07016	1.8
131.08578	9.6
133.10146	13.9
135.11705	9.9
137.13258	1.9
143.08560	1.9
144.09357	0.9
145.10135	13.8
147.11703	10.8
149.13258	11.8
150.72144	0.6
157.10162	1.0
159.11719	13.0
160.12585	0.6
161.13280	13.7
163.14838	6.0
165.16354	1.2
171.11633	1.5
173.13286	11.0
175.14850	7.8
177.16434	1.6
185.13293	0.8
187.14813	14.0
189.16379	1.9
197.13326	0.7
199.14816	0.7
201.16403	15.0
213.16336	0.8
215.17990	4.1
226.67448	0.6
229.19525	1.8
239.17812	0.9
257.19183	4.4
257.22662	100.0
258.23251	0.7
258.28098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62334	0.9
53.03941	1.3
55.01872	1.5
56.34689	1.0
56.96569	100.0
57.03431	5.0
61.02931	6.7
65.96375	1.1
69.03407	4.0
70.47308	3.7
70.98132	7.3
70.99846	1.5
71.04984	1.5
71.95258	2.6
73.02919	5.3
74.91198	1.0
75.04487	1.1
78.44299	1.0
81.03432	2.1
81.99983	0.9
84.96049	1.1
85.02910	8.7
88.99151	2.3
91.05481	4.6
96.04495	5.6
97.00503	1.5
97.02885	3.4
97.99189	2.7
98.97589	38.0
99.83381	1.1
99.97913	7.4
100.07631	1.9
100.99181	1.4
101.00891	2.2
106.01033	1.4
109.00499	2.2
109.02883	1.3
109.44752	1.0
110.01278	2.0
110.97578	7.1
111.35291	1.1
116.98619	11.3
117.01884	1.6
117.98943	3.6
118.00984	2.3
118.51226	1.2
119.01872	3.4
119.04948	6.1
120.00758	1.8
121.01650	1.1
124.95451	1.4
124.99126	9.4
126.00742	1.2
126.02315	1.1
126.97082	1.1
127.00695	6.1
127.02364	1.4
127.03899	3.1
128.02328	1.3
128.98613	7.2
130.93285	3.1
131.01978	1.2
133.51662	1.1
134.99631	1.6
136.99101	17.4
139.01489	1.8
143.00174	10.8
143.01875	1.3
144.03334	2.0
144.98119	1.2
145.01707	3.3
145.03540	2.3
146.02269	1.1
146.99661	3.6
147.01254	1.8
147.03282	1.6
147.04404	30.1
148.02025	3.8
148.03873	3.1
152.98578	1.3
154.93304	4.3
154.96561	1.7
155.00153	52.0
155.04704	1.7
156.98077	3.9
157.02579	10.6
157.52693	2.0
158.99637	2.9
159.04918	1.1
161.01173	4.2
168.01863	1.0
170.99648	5.5
172.94339	2.7
172.97635	2.8
173.01237	56.1
174.99152	8.9
175.00734	2.6
177.00755	1.8
177.02264	1.2
182.01666	1.2
189.00713	8.1
189.02335	2.6
190.95421	1.2
190.98671	2.0
191.00665	2.2
191.02315	24.2
191.03934	3.0
193.00175	4.5
196.02980	1.1
197.02081	4.3
197.03734	1.2
197.52328	5.4
198.02615	4.6
198.04399	1.3
198.99191	3.7
200.04488	1.6
200.93959	1.3
203.00279	1.3
203.02042	1.7
205.00172	2.7
206.02599	2.0
206.52788	1.9
207.01782	4.6
209.03326	9.5
212.02592	9.1
212.04349	1.9
212.52745	2.2
213.00586	1.4
217.00206	43.6
219.01605	2.1
219.03490	2.6
221.03197	3.1
223.00966	1.4
226.02063	1.7
230.94904	2.3
232.99725	2.1
233.03156	3.6
235.01270	70.9
237.03044	1.2
240.01846	4.1
240.04401	1.2
242.03616	3.8
249.04353	2.0
251.00688	1.2
253.02351	6.8
257.96790	2.6
258.02618	5.2
258.04999	1.9
259.04071	1.0
263.00565	1.2
275.97845	14.0
276.07648	1.9
277.02466	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52470	0.7
51.55724	0.6
54.21695	0.5
55.05315	0.6
55.05512	6.4
57.07061	2.5
65.03915	0.5
67.05183	0.8
67.05509	11.5
69.07070	6.3
71.08633	0.6
79.05489	6.9
80.25956	0.6
81.07061	20.7
83.08630	3.7
91.05495	6.7
93.07049	16.5
95.08611	22.8
97.10175	1.8
105.07034	19.9
107.08598	20.5
109.10158	17.0
117.07044	3.9
119.08586	18.4
119.09250	0.4
121.09331	1.2
121.10149	15.7
123.11707	6.8
130.07809	1.1
131.08559	11.9
133.10139	13.9
135.11700	10.2
136.76921	0.6
137.13281	0.9
141.07033	0.7
142.07835	0.6
143.08553	2.0
145.09064	1.0
145.10136	14.4
147.11691	11.4
149.13269	11.6
157.10077	2.0
158.10876	1.0
159.11690	13.8
160.30994	0.6
161.13263	12.2
163.14825	4.0
171.11702	1.9
173.13272	11.7
173.14700	0.9
175.14803	5.8
177.16335	1.0
183.11664	1.1
185.13206	1.4
187.14839	12.1
189.16365	1.2
197.13315	1.3
197.59317	0.6
199.14819	1.4
200.15569	1.3
201.12610	0.7
201.16394	15.4
206.06000	0.6
213.16441	0.8
215.17966	4.2
229.19638	1.5
239.18103	1.7
257.19128	8.4
257.22644	100.0
257.29956	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	257.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.05509	4.8
55.32653	0.4
57.07076	2.3
65.03929	0.8
67.05506	8.2
69.06728	0.5
69.07069	6.1
70.49100	0.9
70.49426	0.3
71.08635	0.3
74.42365	0.3
79.05490	6.9
81.07056	20.8
82.07400	0.4
83.08609	3.7
91.05484	5.6
93.07047	15.9
95.08609	21.5
97.10139	1.6
98.20763	0.4
98.98411	0.3
103.05434	0.4
105.07035	17.2
107.08594	19.2
109.06523	0.5
109.10162	15.4
111.11716	0.6
117.07004	3.3
119.08585	17.0
121.10144	16.3
123.11722	6.0
123.12602	0.6
129.06956	0.7
131.08563	10.6
133.10133	12.4
135.11697	9.8
137.13257	1.2
143.08569	1.2
144.09311	0.7
145.10127	14.2
147.11691	11.6
149.12035	0.5
149.13257	11.2
157.10098	1.2
158.10851	0.4
159.11705	11.8
161.13260	12.2
163.14822	6.4
171.11708	0.9
172.12122	0.3
173.13281	12.4
175.14832	6.5
177.16429	1.4
183.11682	0.5
185.13229	0.8
187.14836	13.1
189.16374	1.4
197.13223	0.7
199.14795	1.3
200.15671	0.7
201.16386	15.8
213.16402	0.4
214.17139	0.4
215.17963	4.5
228.18663	0.5
229.19565	1.8
239.17917	0.9
257.19186	3.5
257.22641	100.0
258.22958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1902
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03941	1.2
55.01880	0.9
55.05503	2.7
57.07061	2.0
67.05504	5.9
69.03426	1.0
69.07077	4.5
71.04990	3.7
79.05500	7.4
81.07063	6.3
81.94283	0.6
82.23483	0.6
83.04956	1.4
83.08614	1.7
85.06553	3.5
91.05481	9.2
93.07057	18.2
95.04978	4.0
95.08621	10.4
97.06529	1.1
99.08123	1.2
103.05478	1.6
105.07038	23.6
107.08611	16.2
109.06507	5.3
109.10165	10.0
111.08112	3.3
115.05444	2.0
117.07025	3.9
119.08588	19.1
121.10153	69.7
123.08054	2.9
123.11692	2.2
125.18415	0.6
128.06206	3.1
129.07011	3.9
131.08575	12.6
133.07625	1.8
133.10153	8.8
135.08067	21.0
135.11667	3.8
137.09621	5.1
141.06978	1.7
142.07785	7.0
143.08569	15.7
144.09331	1.6
145.10126	14.6
147.08005	0.9
147.11688	2.5
149.09660	4.3
151.11224	1.4
153.07033	0.7
155.08571	4.5
156.09366	3.9
157.10130	19.3
158.10930	4.1
159.08044	1.0
159.11708	18.0
161.09621	2.3
161.13261	1.9
163.11166	4.9
168.09335	1.9
169.10132	8.2
170.10919	1.9
171.11705	9.9
173.09616	2.6
173.13278	24.5
174.14064	2.1
175.11218	1.7
175.14807	2.0
177.12737	2.1
181.10124	0.7
182.11040	0.7
183.11684	9.1
184.12482	2.8
184.14098	0.6
185.13284	2.5
187.11238	4.3
187.12732	0.8
187.14786	4.3
187.22502	0.7
189.12752	1.7
194.10973	0.7
195.11713	1.2
197.13275	7.2
199.14839	35.1
201.12706	7.3
209.13255	1.8
211.14833	1.6
213.16400	10.7
214.17174	1.7
215.14348	2.1
215.17929	7.4
224.15570	1.7
227.14395	0.7
228.98921	0.6
229.15964	0.7
239.17969	15.4
257.19025	100.0
257.26627	9.7
258.27951	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	257.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
55.01864	7.1
55.05519	12.7
56.96554	4.0
57.03437	4.0
57.07075	3.7
58.06603	2.8
59.04994	2.1
66.60323	2.0
67.05512	12.8
69.03430	14.1
69.07075	42.4
70.06599	2.3
70.08427	8.6
71.04991	3.0
73.06560	2.6
73.29909	1.9
73.35506	1.9
79.05508	12.9
81.07050	18.3
83.04992	8.2
83.08617	4.2
84.08143	4.4
85.02900	3.9
85.06573	10.2
91.05482	9.0
93.07065	19.6
95.04985	29.1
95.08627	26.8
97.02888	3.5
97.06540	43.8
97.10201	3.0
99.04441	3.3
99.08102	3.1
99.58151	2.0
103.03970	2.2
105.07034	13.8
107.08600	54.3
109.06516	9.5
109.10181	13.9
111.04451	5.7
111.08082	6.0
113.09616	3.8
115.07564	2.9
119.05003	4.1
119.08603	31.8
121.06515	4.6
121.10161	33.0
123.08095	8.6
123.11705	6.6
125.06034	10.8
125.09643	9.0
131.08597	3.1
133.10159	16.5
134.06013	3.0
135.08070	8.2
135.11694	9.4
137.05971	2.6
137.09625	5.7
139.11183	40.0
147.04419	16.0
147.08026	4.9
147.11650	4.5
149.09641	5.1
149.13231	3.6
151.07587	2.2
151.11206	2.8
152.07074	4.8
159.11821	2.8
161.09663	5.4
161.13235	4.7
163.11246	5.6
163.14830	37.9
165.09164	3.8
167.10713	22.2
175.14845	15.1
177.12740	2.3
179.10619	3.0
179.14342	9.1
181.12343	2.5
181.15897	18.0
185.11772	8.0
186.06673	2.5
191.14326	3.1
193.12277	3.2
193.15904	16.2
203.14307	5.2
209.15327	2.6
211.09612	2.8
211.18130	7.0
221.15373	38.5
229.05008	2.7
239.16429	100.0
257.04440	5.0
257.08035	7.5
257.11899	2.7
257.17679	40.4
257.22153	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	257.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26382	0.4
52.21286	0.4
55.01870	1.7
55.05501	0.5
57.03196	0.5
57.03445	6.4
58.99576	0.7
59.60933	0.4
60.12511	0.4
68.30036	0.4
68.93577	0.4
69.03426	0.9
69.07081	0.7
69.21335	4.2
69.21636	0.4
71.04999	0.7
75.04485	2.6
79.05489	3.7
80.05011	0.5
81.07055	0.6
84.18600	0.4
85.02898	0.7
91.05483	3.4
93.07042	0.6
94.04185	0.9
95.04954	0.6
95.07362	0.7
95.08608	0.6
96.08150	1.2
97.06534	0.7
98.20724	0.9
103.05479	2.3
105.03426	0.5
105.07040	31.0
107.04958	3.5
107.08607	0.6
108.08118	0.7
109.06507	1.1
111.02597	0.4
112.89633	0.5
115.05431	0.8
116.01659	0.7
117.07034	0.7
119.04971	4.4
121.08852	1.0
122.03666	3.8
123.04437	1.4
123.08043	0.5
124.05215	0.6
126.07085	0.5
128.05328	0.8
131.04907	0.5
133.06502	52.4
135.04414	0.9
135.08101	0.8
137.05988	100.0
145.06538	0.5
146.03598	0.5
147.04414	16.3
149.09576	0.6
150.06836	0.7
151.07568	0.8
152.07068	0.5
154.06891	4.5
162.06778	0.7
163.07558	4.4
165.09125	29.0
170.03526	0.4
173.05910	0.5
175.07562	3.3
177.09126	0.9
179.06976	0.6
181.08597	2.2
182.09396	0.5
183.06592	0.7
183.08249	0.7
183.10175	6.9
203.10750	1.4
209.11781	1.1
211.09663	0.7
221.11618	2.3
239.12799	1.5
239.15240	0.6
257.10037	4.1
257.13699	1.5
257.18753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0809
Annotation	Isoliquiritigenin
Peak:m/z	Relative Intensity
50.10627	0.2
53.03945	0.6
55.01867	0.3
55.05455	0.2
62.53601	0.2
65.03938	0.5
68.99779	1.2
69.03422	0.5
69.15900	0.6
69.16326	1.7
79.05529	0.3
81.03422	6.6
87.95654	0.2
91.05482	6.0
95.01292	0.3
95.04975	1.9
96.02108	0.7
105.07032	1.1
107.04947	2.0
109.02894	0.9
111.04456	0.8
117.03386	3.1
119.04942	15.4
121.02837	0.3
121.03977	0.4
121.06505	0.6
121.36474	0.2
123.04421	3.2
127.03903	0.6
131.08553	0.2
133.06500	1.5
135.04413	0.9
135.08080	0.3
136.90059	0.2
137.02341	100.0
138.02681	0.4
141.06993	0.2
143.08531	0.2
145.06511	0.3
145.10094	0.3
147.04410	36.6
149.05984	0.5
152.71498	0.2
153.07011	0.8
155.03413	1.3
155.08493	0.3
159.08066	0.4
163.03918	2.6
165.07010	1.7
167.08522	0.2
169.06442	0.5
171.08051	0.5
173.06055	0.3
181.06467	0.6
182.07228	0.4
183.08041	1.5
187.07503	0.8
193.06454	0.3
194.07268	0.3
197.05972	0.6
197.09599	0.3
197.13316	0.2
210.06761	0.5
211.07530	4.8
215.07040	0.3
225.09065	0.4
226.09900	0.3
227.07121	0.3
229.08620	0.2
239.07053	5.8
242.05714	2.8
242.09415	0.6
242.69576	0.2
257.08087	92.2
257.11575	4.3
258.08386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84228	0.3
53.03937	0.6
55.05513	3.9
57.07066	1.4
67.05507	3.8
69.07074	3.8
70.19730	1.2
70.20062	0.3
76.65266	0.3
79.05497	4.3
81.07056	10.6
83.08622	1.8
91.05479	5.0
93.07053	8.6
95.04937	0.4
95.08610	10.1
97.06557	0.5
97.10158	0.9
98.98486	0.9
105.07037	11.3
107.08596	9.8
109.06549	0.5
109.09473	0.6
109.10155	6.4
115.05427	0.4
117.07003	2.1
119.08586	15.0
121.10152	6.7
123.11710	1.9
128.06227	1.3
129.07025	3.5
130.07790	0.7
131.08574	7.7
133.10141	8.8
135.11705	3.1
137.13261	0.4
139.77905	0.4
141.06992	0.8
142.07809	2.2
143.07513	0.7
143.08569	10.3
144.09299	1.2
145.10126	12.4
147.10515	0.6
147.11685	8.8
149.13260	2.2
155.08525	1.2
156.09335	2.5
157.08833	0.5
157.10133	12.3
158.10873	1.3
159.11702	13.2
161.13271	6.2
169.10129	1.3
170.10895	1.3
171.11700	13.9
171.13177	0.8
172.12434	0.5
173.13268	8.2
175.14801	2.1
183.11615	1.7
184.12482	1.0
185.09721	0.5
185.13274	11.3
186.13968	0.8
187.14816	3.2
195.11630	0.4
197.13290	1.9
198.14009	1.1
199.11127	0.7
199.14836	15.0
200.15605	0.8
211.14825	1.7
212.15567	1.2
213.13094	0.4
213.16388	7.4
225.16327	0.7
226.17210	0.7
227.17931	3.4
240.18842	0.5
255.17596	4.5
255.21091	100.0
256.21387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.05516	3.4
57.07063	1.4
58.91739	0.3
61.39838	0.3
62.21840	0.3
65.03934	0.3
65.31143	0.3
67.05511	4.4
68.63296	0.3
69.07074	4.4
71.08629	0.3
71.34155	0.5
79.05502	3.5
81.07062	8.8
83.08618	2.2
91.05489	4.5
93.07052	7.4
95.08614	9.7
97.10164	1.1
98.25424	0.3
98.98457	0.5
105.07039	12.6
107.08604	9.6
109.10156	5.9
111.11721	0.7
115.05428	0.6
117.07020	2.3
119.08593	13.2
120.73001	0.3
121.10147	5.2
123.11706	2.1
128.06221	1.3
129.07022	4.0
130.07779	0.6
131.08578	6.4
133.10147	8.4
135.11705	2.6
137.13263	0.8
141.06963	0.4
142.07805	2.8
143.08574	9.7
144.09383	0.8
145.10136	10.8
146.10600	0.3
147.11700	7.9
149.13258	1.5
154.07835	0.3
155.08577	1.1
156.09395	3.0
157.10146	13.7
158.10869	0.8
159.11708	11.8
159.13042	0.6
161.13287	6.3
163.14771	0.4
169.10150	1.5
170.10944	1.7
171.11711	13.6
172.12486	0.6
173.13301	6.3
175.14828	2.0
183.11726	1.5
184.12476	1.0
185.09734	0.4
185.13286	11.9
186.13927	0.4
187.14835	2.8
195.11754	0.4
197.13297	1.3
198.13979	1.0
199.11166	0.9
199.14838	16.5
200.15564	1.0
211.14833	1.5
212.15567	0.6
213.12837	0.5
213.16423	5.7
225.16417	0.9
226.17209	0.8
227.17961	3.0
237.16409	0.6
240.18681	0.8
255.21095	100.0
256.21478	0.6
256.30124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.05511	3.8
56.75956	0.1
57.03424	0.4
57.07071	1.7
60.92593	0.2
65.03932	0.4
67.05506	5.5
69.07066	4.1
71.08624	0.4
71.54276	0.2
77.03886	0.2
79.05497	4.1
81.03407	0.2
81.07058	9.6
83.04996	0.2
83.08621	2.1
85.10166	0.1
91.04897	0.2
91.05479	5.1
93.07046	8.7
93.50209	0.1
95.04979	0.4
95.08611	10.1
97.06517	0.7
97.10177	1.1
98.98469	1.5
103.05445	0.3
105.07033	11.6
107.08598	8.5
109.06477	0.2
109.10159	6.0
111.11723	0.2
115.05447	0.6
116.06236	0.2
117.07020	2.6
119.08582	11.1
121.01739	0.1
121.10146	5.2
123.11695	1.9
128.06207	1.9
129.07007	4.2
130.07774	0.9
131.07590	0.3
131.08574	6.7
133.10133	7.5
135.11690	3.6
137.13229	0.2
141.06953	1.1
142.07776	3.1
143.08562	13.5
144.03279	0.2
144.09366	1.6
145.10129	9.3
147.10503	0.3
147.11691	7.8
149.13246	1.7
155.08554	2.0
156.09354	3.8
157.10133	15.3
158.10919	0.9
159.11696	11.0
161.13255	5.7
163.14767	0.4
166.07831	0.2
168.09312	0.2
169.10112	2.0
170.10927	2.1
171.11691	16.9
171.44450	0.1
172.12407	0.5
173.09633	0.2
173.11754	0.3
173.13264	6.4
174.14023	0.3
175.14841	1.6
181.10139	0.4
181.12242	0.3
182.10941	0.5
183.11693	3.1
184.12473	1.0
185.09692	0.5
185.13258	12.1
186.14034	0.6
187.14838	2.2
193.10065	0.3
195.11728	0.5
196.12457	0.2
197.13252	3.0
198.14064	1.6
199.11133	0.7
199.14827	18.5
200.15544	1.2
201.16402	0.2
207.11688	0.2
208.12430	0.3
209.11685	0.5
209.13383	0.2
211.14816	3.1
212.15576	1.2
213.12892	0.4
213.16396	9.2
214.17128	0.4
225.16425	1.1
226.17168	1.5
227.17937	2.6
237.11249	0.3
237.16386	0.9
240.18681	1.1
253.19539	0.3
255.17635	3.7
255.21074	100.0
256.21448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1955
Annotation	9-Hydroxy-10,12-pentadecadienoic acid
Peak:m/z	Relative Intensity
53.03940	3.0
55.05513	41.2
57.07074	12.7
59.05005	2.2
67.05508	19.0
69.03417	1.9
69.07073	27.6
70.64211	2.1
70.64558	3.4
71.04994	3.3
71.08630	2.8
79.05499	14.5
81.03416	2.0
81.07063	64.3
83.04990	3.2
83.08624	28.4
85.06555	16.6
91.05489	9.7
91.05957	1.8
93.07048	46.0
95.04952	3.0
95.07999	2.8
95.08607	56.2
97.06522	8.2
97.10175	28.7
98.98477	10.2
99.08080	5.1
105.07034	12.5
107.08598	66.9
109.06519	4.7
109.10168	37.8
109.29539	1.8
111.08086	7.8
111.11737	2.1
113.09637	8.3
114.07226	1.9
115.11224	2.6
119.08588	12.2
121.06507	4.3
121.10147	81.3
123.08072	4.1
123.11706	39.0
125.05982	2.4
125.09611	3.5
127.07569	3.9
127.11246	2.0
131.08560	4.1
133.10120	11.9
135.08049	3.0
135.11707	33.8
137.02342	6.9
137.09619	2.8
137.13275	5.7
139.07532	15.9
139.11261	3.2
141.09105	2.6
145.10141	6.9
147.11707	3.1
149.09651	7.1
149.13286	7.3
151.11093	2.3
151.14886	2.3
153.07047	2.6
153.09120	20.4
155.10698	4.0
159.11714	7.1
161.13275	11.7
163.11130	8.7
167.10672	14.2
169.12291	1.8
173.13277	2.7
175.14833	15.4
177.16386	100.0
181.06479	2.8
181.10071	1.4
181.10666	2.0
181.12221	19.7
191.17966	17.5
195.13850	3.4
195.17451	3.7
199.07596	6.9
201.16449	14.2
209.18912	1.8
219.17459	34.8
227.07053	4.3
227.18307	1.7
237.18517	44.4
237.20758	3.3
255.06554	48.2
255.09514	2.3
255.19504	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	255.1957
Annotation	11-Hydroxy-4,5-seco-eudesmane-4,5-dione
Peak:m/z	Relative Intensity
53.03942	1.8
55.01878	34.1
55.05516	17.0
56.96578	1.5
57.03459	1.7
57.07069	2.6
57.95152	0.8
59.04999	0.9
65.33506	0.9
67.05509	15.1
69.03434	3.5
69.07076	11.7
70.65097	2.0
71.05001	8.2
79.05503	12.3
81.03421	2.5
81.07067	14.9
83.04986	13.0
83.08625	5.2
85.02904	3.4
85.06559	5.5
91.05486	11.4
93.07050	22.2
93.07638	1.3
95.04988	4.9
95.08603	10.0
96.34289	0.9
97.02894	1.8
97.06535	10.8
97.10175	3.3
98.97598	8.8
98.98470	13.1
99.04462	18.0
99.08110	5.3
101.06037	0.8
103.05458	0.9
105.07040	10.5
107.04972	2.6
107.08604	16.1
109.06493	4.8
109.10172	6.6
111.04455	17.6
111.08093	100.0
113.06026	3.1
115.05402	0.9
116.98627	3.1
117.07024	2.1
118.04166	1.7
119.08616	4.9
121.06506	2.4
121.10186	8.5
122.07278	0.9
123.08058	2.5
123.11749	1.7
125.05990	2.7
125.09653	15.5
127.03890	1.1
131.08585	4.0
133.06503	3.3
133.10159	5.8
135.08072	7.0
135.11685	3.7
137.06000	2.0
137.09660	1.6
137.21170	0.9
139.07567	1.3
139.11180	5.5
145.06557	0.8
145.10138	3.6
147.04367	1.1
147.08041	1.3
147.11630	0.9
149.02361	2.8
149.06000	2.1
149.09657	6.1
149.13266	1.6
150.06787	1.9
151.07599	4.8
151.11198	1.9
153.09103	8.5
155.07112	0.9
158.99680	3.6
159.11713	3.9
161.09624	1.0
161.13243	3.2
163.11227	1.7
165.09143	3.3
167.07085	2.3
167.08702	1.2
167.10725	4.9
169.57663	1.0
173.13298	2.7
177.00732	2.6
177.12798	1.4
179.10561	1.3
181.12262	1.6
184.07510	1.8
191.10689	0.9
191.14288	1.7
193.05035	1.8
193.08580	7.0
193.15950	1.5
195.06175	1.1
195.13858	2.0
201.16383	2.5
210.14844	2.7
211.07796	1.3
211.09669	9.9
211.15224	13.1
214.08609	9.7
219.13843	2.4
219.17500	4.3
223.09189	3.0
234.59947	1.1
237.07573	1.0
237.14919	2.5
237.18509	30.6
244.26581	0.9
255.06432	10.9
255.10374	1.6
255.15576	1.2
255.17859	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	255.1954
Annotation	11-Hydroxy-4,5-seco-eudesmane-4,5-dione
Peak:m/z	Relative Intensity
53.03941	2.2
53.29805	0.8
55.01875	40.3
55.05514	16.1
56.96564	2.6
57.03429	2.6
57.07070	2.2
65.03963	1.1
67.05509	13.2
69.03435	3.6
69.07076	11.8
70.61363	2.2
71.05001	8.3
73.02910	1.2
76.80495	0.8
79.05499	13.9
81.03412	1.5
81.07055	15.8
83.04983	14.6
83.08642	4.3
85.02914	4.1
85.06542	7.6
86.09694	1.1
91.05482	11.5
93.07044	20.8
95.04959	5.7
95.08603	9.0
97.02892	1.4
97.06531	8.9
97.10163	2.5
98.97588	12.5
98.98470	11.5
99.04463	14.7
99.08100	3.7
101.06017	1.9
105.07027	10.4
107.04980	1.6
107.08599	21.5
109.06520	3.7
109.10157	5.9
111.04456	19.7
111.08083	100.0
113.06003	2.7
116.98611	3.9
116.99371	0.9
117.07033	2.5
119.08572	5.7
121.03951	1.0
121.06516	3.0
121.10152	8.8
121.27779	0.8
123.08090	4.5
123.11694	1.4
125.05994	2.0
125.09634	12.6
128.98607	1.2
131.08586	4.8
133.06483	2.6
133.10144	7.2
135.08052	8.9
135.11708	3.4
137.06000	1.8
137.09674	1.1
139.11194	7.0
142.06552	1.1
142.87036	0.9
145.10129	3.6
147.08000	1.3
147.11682	2.6
149.02362	2.6
149.09642	5.7
149.13281	2.3
150.06828	1.9
151.07555	3.7
151.11179	1.7
153.09096	9.1
157.10095	1.7
158.99681	5.7
159.11699	3.9
161.13222	1.6
163.11223	2.3
163.14755	1.0
165.09123	2.3
167.07066	2.7
167.08504	0.9
167.10641	4.4
173.13290	2.8
175.14861	2.2
176.99016	0.8
177.00790	2.5
177.12709	1.7
181.12271	1.2
183.11629	0.8
184.07521	3.5
184.57693	0.9
193.04985	1.2
193.08614	7.5
193.15941	0.9
193.52060	1.0
195.13878	2.0
201.12701	1.8
201.16388	2.2
205.08165	1.3
209.15344	1.4
210.14847	1.1
211.09650	9.1
211.15242	10.2
214.08559	18.5
214.58717	2.9
219.13824	3.8
219.17427	3.7
219.21054	1.3
223.09119	6.3
234.59964	2.1
237.11340	1.2
237.14821	3.0
237.18506	27.0
255.06502	16.0
255.17868	3.8
265.11331	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1595
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
51.28394	1.0
53.62238	1.0
55.01879	2.1
55.05517	9.0
57.03437	1.8
57.07065	3.0
59.05008	2.0
67.05228	1.1
67.05518	10.8
67.30341	0.9
69.03448	4.9
69.07084	15.0
70.90869	2.4
71.05009	6.1
74.23766	1.1
79.05501	6.4
81.07075	7.8
83.04988	7.2
83.08634	1.6
85.02911	1.2
85.06559	12.2
91.05489	5.1
92.05809	1.0
93.07053	13.5
95.04976	9.6
95.08617	12.5
97.06548	13.9
98.98486	6.2
99.04469	3.9
99.08140	1.6
105.07043	8.0
107.04943	1.7
107.08612	14.1
109.06550	8.5
109.10155	8.4
111.08106	4.0
111.11739	2.9
113.09658	18.6
117.07035	2.8
119.08608	9.9
121.06522	14.8
121.10155	7.2
122.06826	1.3
123.04453	1.3
123.05552	4.0
123.08064	5.9
123.11736	2.5
125.06000	2.9
125.09675	1.3
129.05482	2.0
131.08582	5.4
133.10172	8.3
135.08086	12.7
135.11697	3.9
137.09612	8.4
139.07556	2.8
141.09169	1.4
141.82846	1.0
143.08577	1.8
144.09297	1.2
145.10132	1.8
147.08044	1.9
147.11682	4.7
149.09666	9.1
149.13283	2.4
151.11214	4.2
153.09137	2.8
159.08047	1.7
159.11702	5.8
161.09647	10.4
161.13277	2.9
163.07530	3.6
165.09132	1.4
171.11780	1.1
173.13271	3.6
177.12790	9.1
179.10693	9.1
182.70901	1.3
186.10405	1.3
189.12794	3.2
191.14345	2.3
195.13838	3.9
197.11803	1.7
201.12752	2.5
207.13857	6.4
209.15393	4.5
219.13829	6.5
225.14920	3.3
237.14879	100.0
248.07925	1.1
255.06276	1.2
255.13553	1.1
255.15883	12.4
255.24280	1.9
256.11798	1.3
266.62482	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1593
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03934	4.6
55.01868	4.0
55.05518	29.8
57.03443	51.1
57.07080	7.9
57.64080	1.1
59.05001	4.0
60.16635	1.1
65.03947	2.3
67.05514	79.0
69.03422	3.0
69.07076	67.0
69.29642	9.2
71.01349	4.3
71.05012	8.1
71.08611	1.7
77.03976	1.1
79.05502	73.8
81.03420	11.4
81.07065	58.1
83.04510	1.4
83.04992	24.4
83.08626	12.0
83.65229	1.2
84.99522	1.0
85.02895	1.7
85.06557	8.8
91.05493	31.4
93.07053	83.7
95.04975	7.5
95.08615	30.1
97.06544	34.0
97.10178	19.3
98.97572	1.3
98.98458	9.4
99.04446	2.0
99.08102	5.4
105.07046	12.9
107.04955	2.9
107.08605	58.1
109.06510	4.1
109.09469	2.1
109.10165	27.9
111.08095	8.9
111.11729	14.9
113.05990	1.8
113.09652	1.2
117.07024	7.3
119.08591	16.7
121.06503	4.2
121.10153	22.5
123.08100	2.4
123.11667	2.6
125.05980	1.4
125.09627	6.0
126.82726	1.3
129.80602	1.2
130.07776	1.7
131.08607	2.1
132.48140	1.1
133.10170	8.4
135.11707	100.0
137.09615	3.9
139.11179	9.2
143.08510	2.6
145.10132	20.3
147.11713	2.6
149.13277	12.5
151.11224	2.1
153.12756	4.2
159.11674	5.4
161.13274	4.0
163.11198	19.2
163.14900	1.7
167.14310	4.6
173.13239	2.1
177.16399	1.8
181.12263	15.9
189.16405	4.4
191.17944	1.5
196.72598	1.2
201.16449	5.4
207.17474	1.7
215.37930	1.2
219.17439	3.6
237.18491	5.1
238.28546	1.2
241.08939	1.2
251.02116	1.5
255.06216	1.4
255.15918	85.9
279.82373	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.1
55.01865	4.2
55.05273	2.4
55.05512	28.6
55.68087	1.3
57.03437	46.4
57.07087	7.9
59.04982	3.3
67.05506	76.0
69.03447	3.1
69.07068	50.6
69.28671	8.8
69.29081	2.6
71.01336	4.2
71.05002	8.2
71.08630	2.0
73.02881	1.7
79.05493	66.2
81.03427	9.6
81.07058	44.5
83.04982	25.0
83.08617	9.4
85.02858	1.5
85.06549	7.5
91.05482	27.7
93.07045	80.9
95.04980	7.3
95.08607	26.0
97.05930	1.8
97.06531	27.2
97.10162	17.0
98.98477	13.3
99.08069	5.4
105.04496	2.2
105.07025	12.7
107.04945	1.9
107.08593	51.2
109.06492	3.3
109.10152	17.7
111.08068	5.9
111.11716	9.8
117.07027	8.7
119.08594	14.8
121.06499	3.3
121.10128	19.9
123.08047	3.0
123.11725	3.5
125.09597	4.6
130.07777	1.8
133.10117	8.7
135.08009	2.5
135.11693	100.0
137.09572	4.6
137.13246	1.7
139.11172	5.4
143.08478	1.4
145.10130	18.9
147.11700	2.2
149.13274	7.8
153.12752	3.3
159.11595	3.3
161.13248	2.6
163.11162	19.9
167.14250	2.9
173.13283	1.5
175.14809	1.9
181.12221	19.5
189.16307	2.2
191.17941	1.5
199.13197	1.5
201.16399	3.4
219.17444	2.3
237.18506	3.0
255.06503	3.2
255.15878	91.0
255.21313	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	255.1592
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
53.03929	1.1
55.01867	3.0
55.05512	9.9
57.03440	1.5
57.07071	2.5
59.04979	1.9
63.04368	1.1
63.86663	1.1
67.05517	9.6
67.18501	1.1
69.03426	4.8
69.07071	15.3
69.57064	0.9
69.98537	4.7
69.99187	1.1
71.04996	6.2
74.35938	1.1
77.53404	1.0
79.05493	5.8
80.12723	0.9
81.07074	10.4
83.04983	7.0
83.08623	2.2
85.02888	1.3
85.06546	11.0
91.05496	6.8
93.07044	13.7
93.44534	1.0
95.04459	1.2
95.04983	11.2
95.08620	12.6
97.06016	1.2
97.06548	12.9
98.98494	6.7
99.04464	6.1
99.08104	2.2
105.07027	8.8
107.04977	1.3
107.08590	14.8
109.06536	8.1
109.10169	8.7
111.04449	1.5
111.08062	4.4
111.11733	3.5
113.09647	16.6
117.07003	3.2
119.08600	11.5
121.06503	15.8
121.10159	8.6
122.06837	1.2
123.05551	3.1
123.08088	8.7
123.11684	1.3
125.05994	3.0
125.09644	1.3
129.05536	1.4
131.08560	4.4
133.10152	8.8
135.08060	10.3
135.11700	3.5
137.09622	7.0
139.05014	2.4
139.07556	1.6
141.09099	1.6
143.37079	1.3
144.09361	1.2
145.10144	2.0
147.08023	2.4
147.11685	4.6
149.09647	9.5
149.13260	2.2
151.11180	3.4
153.09093	5.4
155.07043	1.1
159.08025	1.7
159.11732	7.3
161.09615	9.1
161.13245	2.9
163.07506	5.0
163.11195	1.9
163.14778	1.1
165.09084	1.5
167.10670	1.2
173.13266	3.0
177.12796	8.1
179.10687	7.4
186.10359	1.0
187.04637	1.2
189.12738	4.1
191.14285	1.5
193.14197	1.7
195.13785	4.1
197.11697	3.7
201.12776	1.7
207.13908	6.4
209.15363	3.8
219.13817	7.6
225.14877	4.1
237.14864	100.0
255.06425	1.8
255.13416	2.5
255.15759	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	255.0655
Annotation	Chrysin
Peak:m/z	Relative Intensity
51.78537	0.1
63.47509	0.1
67.01543	0.1
67.01875	1.9
67.05511	0.2
68.99794	1.3
69.07075	0.2
69.54675	0.2
69.55068	0.5
81.07055	0.3
85.06597	0.1
91.01849	0.1
91.05492	0.1
93.07051	0.1
95.08607	0.2
96.95392	0.1
98.98464	0.3
99.04391	0.1
103.05479	2.2
105.03399	0.8
106.26246	0.1
107.08609	0.2
109.02843	0.1
109.10180	0.2
111.00797	0.2
116.97460	0.1
119.08569	0.1
121.10114	0.1
123.11698	0.1
125.02347	0.2
127.03909	0.1
129.01837	0.2
129.03358	1.3
129.07008	0.1
135.11711	0.1
147.04422	1.1
152.06201	0.2
153.01845	7.5
153.07079	0.2
169.06445	0.1
171.02921	0.4
171.04425	0.2
181.06566	0.3
187.07600	0.4
199.07643	0.2
209.06003	0.9
213.05515	0.4
231.06555	0.3
237.05551	0.2
237.18599	0.1
255.06538	100.0
256.06897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	100.0
57.03434	18.1
61.02933	68.4
69.03449	17.5
69.07078	8.5
69.33917	40.0
69.34337	21.4
70.98127	10.8
70.99901	8.5
71.05009	14.6
73.02912	17.4
73.47428	7.2
81.03418	10.9
84.96066	11.7
85.02903	32.4
87.04484	13.9
97.02878	10.2
98.97604	57.8
98.98484	18.2
100.99161	16.3
104.01308	12.3
109.02867	10.4
110.01273	8.2
110.97605	19.2
113.01735	9.6
113.02438	11.1
119.01896	29.7
121.19955	6.8
123.05581	12.6
124.95492	8.9
126.98775	10.1
127.02382	7.8
127.03915	13.0
128.98643	18.0
131.01877	7.2
132.00644	10.5
133.03439	8.3
135.11749	8.1
140.98604	8.3
143.00145	13.7
143.01933	12.7
144.99837	39.7
145.03510	41.8
146.99635	19.0
150.01793	23.0
158.99675	11.2
159.01299	9.1
161.02829	9.6
165.00719	9.7
169.13681	7.1
170.03625	8.0
171.01408	8.7
174.99150	11.7
177.02454	13.9
185.02940	8.5
188.97043	11.1
189.00661	20.5
190.98711	39.6
191.03957	17.9
193.00102	9.6
198.97557	9.1
205.01945	20.2
207.01811	18.1
208.99710	29.8
214.05960	10.1
223.06606	23.3
226.02385	7.8
227.00673	12.2
227.04062	8.4
232.07063	19.5
255.06296	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	2.6
60.08168	85.4
65.03944	4.3
69.53249	5.0
71.62806	0.7
80.97848	0.7
91.05482	7.9
93.03412	24.7
93.59586	0.7
94.82016	0.7
98.97574	0.8
101.33102	0.7
107.05002	0.7
110.03659	2.1
111.04461	8.8
119.04950	5.5
121.06530	2.8
125.05999	42.9
143.00175	1.1
145.02856	1.0
149.05994	86.2
151.07555	1.4
153.05475	100.0
163.03922	0.9
177.05475	5.8
187.02727	0.8
195.06546	74.5
219.05061	1.1
231.01775	1.0
237.73016	0.8
249.02980	0.9
254.13885	64.6
257.13412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	4.9
70.44348	1.7
71.01357	6.9
71.33097	2.7
74.02448	3.2
75.04479	12.8
87.04464	5.1
89.02372	3.2
103.03949	19.1
131.03400	4.9
133.68793	1.3
135.08105	2.6
159.02898	52.6
172.07603	2.5
187.02400	3.2
190.08574	3.0
208.09779	2.4
219.05005	100.0
254.10289	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	254.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58121	1.2
57.03425	4.6
62.74816	1.4
69.19406	1.9
69.19812	13.8
73.15955	1.5
74.02442	83.0
91.05485	42.9
93.07066	1.4
98.98415	1.3
105.03365	3.2
106.06575	1.5
115.05444	2.2
117.07018	33.6
128.06215	5.9
129.07011	83.6
135.08055	53.1
135.08847	1.2
144.07149	1.2
144.08081	37.4
145.06487	16.3
146.09656	42.9
154.06528	13.1
155.06070	4.2
161.38171	1.5
162.09154	16.1
172.07576	100.0
173.06010	12.6
180.06494	2.0
190.08626	93.8
208.09689	83.8
217.87019	1.5
218.08130	54.5
218.10245	3.4
218.47490	1.7
219.04697	1.5
236.09132	13.2
254.10242	92.4
255.10510	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.18
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03950	2.4
54.19673	1.2
55.01867	3.0
55.05516	17.0
56.96558	1.3
57.07074	6.3
59.05005	1.8
65.03947	1.6
67.05510	25.2
69.03433	21.8
69.07074	22.5
71.04996	5.9
71.08629	1.3
71.26244	1.9
79.05066	1.8
79.05497	21.7
81.07059	59.9
83.04991	3.2
83.08635	10.7
85.06537	2.6
91.05488	14.4
93.06486	1.7
93.07051	29.0
93.10873	1.1
95.04960	3.7
95.08616	37.7
97.06547	14.9
97.10191	8.7
98.20809	1.2
98.98473	100.0
99.04462	1.5
100.98872	2.0
103.02094	1.3
105.07037	29.4
107.08606	37.6
109.06539	6.8
109.10167	26.8
111.08081	4.5
111.11712	4.4
113.05990	1.4
113.09581	1.6
117.07014	3.2
119.07812	2.2
119.08596	32.0
121.06530	1.1
121.10159	14.4
123.08075	4.7
123.11718	8.3
125.09605	4.1
131.08588	8.1
133.06500	2.0
133.10143	19.7
135.08070	1.4
135.11708	36.1
137.09618	2.8
137.13231	1.6
139.11235	2.1
140.01088	1.5
141.05475	1.4
143.08551	1.4
145.10135	14.6
147.11703	11.1
149.09575	1.9
149.13297	3.5
151.11159	10.8
151.14775	1.6
159.11690	11.0
161.13246	5.5
163.11165	2.6
163.14830	1.5
173.13271	6.1
174.99268	4.1
175.14828	4.5
176.98886	4.2
177.16391	1.8
179.14328	1.9
191.17923	1.5
197.11766	3.6
201.16406	9.2
203.17865	5.8
217.15955	2.1
217.19504	8.7
219.17509	2.7
235.16869	2.9
235.20668	3.9
253.14221	8.2
253.16385	20.6
253.21693	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	253.1799
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
55.01860	2.3
55.05516	10.4
57.03421	3.4
57.07079	64.5
59.04985	1.6
65.03919	1.6
67.05183	1.3
67.05509	18.9
68.99779	1.3
69.03431	16.7
69.07071	7.5
71.05000	5.0
71.46394	1.3
75.33037	0.9
79.05488	5.9
81.07062	18.7
82.07371	1.0
83.04976	5.2
83.08611	2.9
85.06548	41.2
91.05480	7.7
93.06498	1.2
93.07049	11.5
94.14505	0.9
95.04960	8.5
95.08613	15.7
97.06513	4.5
97.10168	2.2
98.98472	30.5
99.08096	13.3
105.07041	13.2
107.04948	2.1
107.07880	1.3
107.08600	21.9
109.06504	5.1
109.10161	100.0
111.08076	4.3
119.08590	24.4
121.06506	1.8
121.10145	11.3
123.04440	6.8
123.08075	3.8
123.11693	6.2
125.06041	1.3
125.09635	38.3
127.03859	0.9
127.07520	1.7
128.06219	1.1
131.08569	2.7
133.06540	1.1
133.10127	23.0
135.08057	2.3
135.11682	4.3
137.05966	1.9
137.09589	2.9
139.07570	1.3
139.11157	2.5
141.12721	1.2
143.08537	2.0
143.10655	3.4
145.10123	1.3
147.08080	1.5
147.11713	8.0
149.09624	2.9
149.13251	3.8
151.03909	29.4
151.05138	1.6
151.07468	2.2
151.11183	8.0
153.01761	1.4
153.09079	5.0
155.14188	0.9
157.10107	1.8
159.11697	3.3
160.05200	2.0
161.05928	2.9
161.09610	4.5
161.13266	1.8
163.07594	2.0
163.11247	0.9
165.05505	9.8
165.09138	2.8
165.12801	2.0
167.10706	1.4
169.08646	1.2
169.12234	4.2
173.13242	3.5
174.06738	2.0
175.07516	1.4
175.11264	2.2
175.14832	27.6
176.98988	1.5
177.05449	1.8
177.12787	3.4
178.06226	4.7
179.03418	10.6
179.10689	5.2
188.37553	0.9
189.09135	8.6
189.12753	1.7
189.16377	7.3
192.07962	1.1
193.12239	1.5
193.15860	4.3
197.11655	2.5
199.14806	2.5
207.10153	27.1
207.17467	3.2
210.06616	1.3
217.08667	4.8
217.12283	1.1
217.15871	8.2
235.09674	36.3
235.13274	1.6
235.16946	23.8
235.19287	1.2
253.04883	1.2
253.10655	1.3
253.13802	1.9
253.17987	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1799
Annotation	2,10-Dihydroxy-2,6,10-trimethyl-3,6,11-dodecatrien-5-one
Peak:m/z	Relative Intensity
55.01871	9.9
55.05517	10.0
55.05743	2.2
57.03428	5.4
57.07062	4.2
59.04993	3.5
61.51399	1.2
67.05183	1.2
67.05506	12.6
69.03433	8.0
69.07079	12.1
69.10418	1.1
71.05000	32.9
71.27526	2.0
79.05498	18.3
81.03414	4.1
81.07063	24.1
83.04989	10.5
83.08628	2.6
85.02934	2.9
85.06547	49.7
91.05489	21.2
93.07046	20.0
95.04966	10.3
95.08611	14.1
97.02888	2.8
97.06544	8.0
97.10175	2.0
98.98470	100.0
99.04441	5.5
99.08083	2.3
105.03358	1.5
105.07034	19.6
107.04932	3.9
107.08599	22.7
109.06513	11.8
109.10182	9.2
111.04472	2.0
111.08074	15.4
113.06012	22.7
116.99516	1.8
117.07027	6.5
119.07815	1.6
119.08586	19.5
121.06511	6.4
121.08402	1.7
121.10135	9.7
123.08075	9.7
123.11693	4.6
124.07552	1.9
125.09637	13.4
127.07562	2.8
127.11192	3.9
128.06177	1.3
129.07011	3.1
131.08568	15.8
133.10135	16.2
135.08011	4.0
135.11691	6.1
137.05943	1.3
137.09613	8.4
139.07449	1.2
139.11201	1.6
141.05472	2.5
141.09097	1.4
143.08549	3.7
145.10123	8.3
147.08020	3.2
147.11691	17.1
149.09647	20.0
149.13234	2.8
151.11165	3.4
153.09114	1.4
155.10631	2.2
157.10115	5.8
159.11690	12.8
161.09573	2.9
161.13290	2.7
163.11234	3.2
165.12798	6.3
167.10661	4.4
171.11711	3.9
173.13295	2.9
174.99223	3.1
175.11163	4.5
175.14833	5.4
176.98885	2.4
177.12776	10.0
179.10643	3.7
189.12703	3.9
189.16397	5.1
195.13771	5.6
197.11705	5.0
199.11165	2.2
199.14793	7.0
199.16406	1.6
205.15944	1.3
207.10239	2.1
210.14937	2.2
210.18439	1.9
217.12228	4.8
217.15837	13.4
235.09573	1.7
235.13237	4.6
235.16928	20.4
253.10329	1.8
253.14345	3.8
253.17970	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	253.18
Annotation	Epilippidulcine A
Peak:m/z	Relative Intensity
53.03940	2.9
55.01875	21.6
55.05272	1.7
55.05515	25.6
57.03435	4.5
57.07066	5.3
58.21558	1.3
59.04993	3.5
65.03931	3.3
65.55887	1.3
67.05506	22.5
69.03428	7.7
69.07072	12.1
70.02939	2.6
70.03874	4.5
71.04996	30.4
74.02442	23.1
75.02763	4.9
77.03911	1.4
77.70120	1.4
79.05496	20.3
81.03414	3.6
81.07060	30.4
83.04985	37.5
83.08629	14.0
85.02936	3.5
85.06555	14.8
88.03997	43.2
89.03767	2.4
89.04324	11.8
89.06021	5.7
91.05483	71.1
92.05816	77.0
93.07047	18.9
95.04968	16.8
95.08614	32.3
97.02872	6.6
97.06538	8.9
97.10178	3.4
98.20854	1.6
98.98470	100.0
99.04466	8.2
101.06033	3.6
103.05442	3.5
105.07037	21.0
107.04951	18.5
107.08596	24.5
109.06523	37.7
109.10149	6.0
111.04454	31.7
111.08087	16.6
113.06000	6.0
115.05470	2.2
116.03458	11.4
117.03770	4.6
117.07014	6.5
119.04916	1.6
119.08582	12.2
121.02823	1.6
121.06520	10.9
121.08432	4.2
121.10144	7.1
123.04436	1.5
123.07205	2.5
123.08067	41.7
125.09634	5.7
127.03949	2.3
127.07525	5.4
127.11181	2.5
129.07008	4.0
131.08559	8.5
133.06468	6.0
133.08653	3.4
133.10153	11.2
134.04495	64.5
135.04008	1.8
135.04858	24.1
135.08064	7.9
135.11678	4.9
137.05984	2.5
137.07928	1.7
137.09584	4.9
139.07593	1.6
139.11192	5.2
141.05461	2.8
141.09099	14.5
143.08528	4.4
145.10123	3.3
147.04407	2.4
147.06317	2.0
147.08049	4.5
147.11719	10.1
149.09578	6.9
149.13280	3.1
151.07542	21.8
151.11115	3.2
153.09073	4.0
157.06447	1.7
157.10098	3.4
159.11713	7.3
161.05994	1.5
161.09604	4.4
161.13248	3.9
163.03943	1.7
163.07492	1.8
163.11188	4.2
164.18427	1.3
165.09111	6.2
165.12740	5.9
166.15865	1.6
167.10710	3.7
169.08719	1.6
171.11636	2.3
173.13214	2.9
174.99261	3.1
175.11192	4.4
175.14859	8.3
176.96951	3.3
176.98830	3.0
177.09119	3.6
177.12761	29.6
179.10660	5.7
179.14316	1.9
189.05515	7.3
189.09018	2.1
189.16440	2.9
191.14247	4.6
193.08522	1.7
193.15884	3.1
195.13843	3.2
197.11726	4.9
198.99821	1.6
199.14848	6.4
205.08588	3.2
207.08379	7.2
207.10236	4.6
207.13666	2.4
210.18576	1.9
217.08626	2.9
217.15884	12.5
223.09729	4.0
235.07841	8.9
235.13324	2.8
235.16919	33.5
253.08783	5.4
253.14288	2.6
253.15297	2.3
253.18013	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	253.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.3
55.05512	1.8
57.07085	1.4
62.99081	0.5
65.03961	0.3
67.05514	2.5
69.07079	3.8
69.42189	0.5
69.42592	1.8
71.05001	0.4
77.00659	0.6
79.05492	2.3
81.06590	0.5
81.07069	9.2
83.08649	1.0
87.02739	0.3
91.05496	3.2
93.07052	4.5
95.04974	0.3
95.08619	8.3
97.10194	0.7
98.21541	0.5
98.98481	9.8
98.99142	0.5
101.04250	0.4
103.02164	0.5
103.05459	0.4
105.07044	23.6
107.08614	5.6
109.06568	0.4
109.10178	4.8
111.02676	0.9
117.03745	0.7
117.07021	1.2
119.08595	74.8
120.09367	0.3
121.10155	6.3
123.11727	4.5
129.03728	1.0
131.08633	0.5
133.10153	5.7
135.11705	2.0
137.13266	2.6
143.08597	0.3
145.10155	1.3
147.11714	7.4
149.13290	1.3
151.05804	0.4
151.14819	0.4
152.38805	0.3
159.11728	1.0
160.66142	0.3
161.13300	2.6
163.14836	1.3
165.07524	0.3
174.99365	0.3
175.14923	0.7
177.16394	1.8
191.18013	0.4
201.16377	0.5
203.17967	8.0
203.64183	0.3
253.16243	100.0
254.16682	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.0
55.05514	5.2
57.03447	0.5
57.07081	2.6
58.96561	0.5
58.99582	0.5
62.99081	1.1
65.03918	0.7
65.24395	0.4
67.05510	6.9
69.03442	2.2
69.07072	8.6
71.04995	1.0
71.08638	0.4
71.42252	0.8
71.44955	0.4
73.55595	0.5
74.32912	0.4
75.02736	0.6
77.00614	0.7
79.05497	7.3
80.06310	0.5
81.07059	21.3
83.08636	4.6
85.06539	0.7
87.02672	0.6
91.05483	7.5
93.07055	10.0
95.04963	0.7
95.08618	17.8
97.06503	2.2
97.10202	2.6
97.34167	0.4
98.98473	21.0
100.98910	0.5
103.02164	1.0
105.07040	30.7
107.08599	14.5
109.06544	0.9
109.10175	11.5
109.10921	0.6
111.02679	1.7
111.11727	0.8
111.39274	0.4
111.57325	0.5
111.99942	0.6
117.03754	0.7
117.07032	1.7
119.08591	79.7
121.00529	1.1
121.06526	0.5
121.10163	10.1
123.08121	0.5
123.11709	7.1
125.09637	0.8
125.13303	0.5
129.03690	1.5
131.08546	2.4
133.10138	11.3
134.01263	0.6
135.11708	6.8
137.09706	0.4
137.13254	3.2
139.11191	0.6
143.08568	0.6
145.10138	3.8
147.11699	15.1
149.13287	2.7
151.05788	0.6
151.11171	1.4
151.14804	0.6
154.78709	0.5
159.08406	0.7
159.11682	2.9
160.12485	0.7
161.13260	6.0
163.14841	2.1
172.79755	0.5
174.99272	0.9
175.14850	1.4
177.16441	3.1
179.08873	0.8
189.16634	0.5
191.17995	0.9
197.10043	0.6
197.11728	1.1
201.16478	2.6
203.17966	13.2
207.63393	0.4
217.19531	1.4
226.03120	0.8
235.17120	0.7
235.20653	1.7
253.16240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.8
55.01869	5.6
55.05520	8.6
57.03436	2.6
57.07077	2.4
59.05008	1.4
65.03935	1.4
67.05511	19.5
69.03435	8.3
69.07071	10.5
71.05004	11.5
71.53525	1.4
73.02923	1.4
77.03928	1.6
79.05499	25.7
81.03403	3.3
81.07063	51.7
83.04985	8.4
83.08618	3.9
85.02911	7.3
85.06548	13.2
87.04459	1.2
89.06046	1.0
91.05489	22.9
93.07053	45.7
93.07643	2.4
95.04974	15.7
95.08614	20.9
97.02895	3.8
97.06539	17.3
98.98476	76.3
99.04456	10.4
99.08097	1.6
100.98875	1.1
101.06033	1.5
103.05484	1.8
105.07041	34.2
107.04974	8.2
107.08601	30.7
109.02879	1.5
109.06525	35.3
109.10167	11.2
111.04445	1.3
111.08069	8.1
113.06023	7.2
115.05441	2.4
117.07015	4.7
119.04939	1.7
119.08588	29.2
121.06516	100.0
121.10151	11.1
123.04424	3.6
123.08083	7.9
123.11720	4.5
125.06007	3.2
125.09641	4.1
127.03870	1.5
127.07571	14.3
127.11179	1.8
128.06241	2.5
129.07014	8.4
131.08586	12.1
133.06514	5.7
133.10141	15.4
135.04422	6.6
135.08049	9.5
135.11711	4.0
137.05969	5.7
137.09612	4.1
139.07553	14.0
139.11221	1.4
141.05493	4.8
141.09105	1.3
142.07738	5.7
143.06987	1.9
143.08565	10.4
145.06464	2.4
145.10124	10.8
147.04404	2.7
147.08057	23.7
147.11688	28.1
149.09628	7.6
149.13254	2.9
151.03941	2.2
151.07541	4.4
151.11237	1.7
153.09126	1.3
155.08525	2.5
155.10680	1.8
156.09346	5.0
157.06517	1.8
157.08727	2.3
157.10126	17.1
158.07195	1.1
159.08037	3.6
159.11713	5.7
161.06003	2.4
161.09644	5.5
161.13283	14.2
163.11221	2.4
163.14804	2.5
165.05482	5.8
165.07008	10.1
165.09135	4.2
165.12787	7.5
166.07809	3.3
167.10690	1.7
169.36038	0.9
171.08188	1.3
171.11684	16.8
173.09608	2.0
173.13313	2.3
174.99240	1.6
175.07564	9.9
175.11208	19.5
175.14833	4.7
176.98987	1.4
177.05495	1.2
177.09071	1.4
177.12675	2.2
178.07785	3.2
179.07025	1.3
179.08551	1.1
179.10692	4.9
181.06578	2.5
181.10172	5.9
182.07243	3.6
184.08917	1.7
189.09137	3.3
189.12764	23.0
189.16379	4.4
191.10602	1.6
191.14319	2.2
192.09367	2.0
193.06532	5.5
193.08589	6.7
193.10184	7.9
193.12247	15.7
197.09819	1.4
197.11746	3.8
199.11206	29.5
199.14851	2.4
203.07007	1.7
207.10188	4.1
207.13805	11.4
207.17485	1.2
210.06776	10.1
210.18573	1.1
211.07414	1.1
211.13251	1.8
217.08846	2.3
217.12263	86.7
217.15834	8.2
218.12354	1.0
220.08861	2.0
221.06006	4.1
221.07837	1.6
221.09729	9.2
225.09183	4.9
235.09811	6.9
235.13321	49.4
235.16869	18.8
238.06216	4.9
238.09851	2.1
240.05486	1.3
241.05310	2.7
253.04851	2.0
253.05679	1.7
253.08594	28.5
253.12210	29.4
253.14433	25.6
253.17628	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	253.1437
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03947	3.2
55.01870	5.9
55.05514	8.1
57.03427	2.5
57.07069	4.1
59.04993	1.3
65.03954	1.7
67.05509	18.6
69.03436	10.4
69.07081	9.8
69.72065	2.3
69.72469	4.3
71.04997	15.3
79.05498	31.3
81.03446	2.4
81.07066	54.7
83.04986	8.1
83.08615	4.2
85.02901	4.8
85.06547	13.4
91.05489	24.3
93.07050	50.6
93.24124	1.3
95.04974	17.5
95.08616	24.7
97.02884	4.0
97.06542	18.6
98.98475	65.7
99.04465	10.1
99.08097	2.3
105.07045	35.2
107.04967	9.5
107.08601	26.6
109.05802	2.2
109.06528	36.6
109.10155	9.7
111.04454	2.1
111.08095	6.6
113.06012	4.3
114.52110	1.2
115.05452	2.7
116.99500	1.2
117.07027	4.2
119.04924	1.4
119.08586	30.3
121.06515	100.0
121.10155	9.7
123.04473	5.4
123.08079	9.8
123.11723	3.6
125.05977	5.5
125.09640	3.4
127.03918	2.2
127.07552	11.9
127.11197	1.4
128.06221	3.3
129.06998	8.2
131.08565	12.4
133.06502	7.2
133.10149	15.5
135.04407	7.3
135.08078	11.5
135.11723	4.7
137.06009	5.2
137.09596	2.7
139.07541	13.8
141.05489	3.7
142.07799	6.6
143.07051	1.9
143.08580	11.4
143.10588	1.1
145.04918	1.4
145.06459	1.6
145.10141	9.9
147.04390	1.3
147.08051	25.1
147.11702	33.0
149.09659	7.5
149.10623	1.1
149.13237	2.4
151.03963	1.4
151.07533	3.6
151.11137	1.3
153.09206	1.7
154.07646	1.4
155.08627	1.7
155.10622	1.7
156.09380	5.0
157.08702	2.1
157.10121	17.9
159.08069	3.6
159.11708	3.7
161.05994	2.2
161.09654	4.4
161.13277	14.8
163.11182	2.5
163.14861	1.6
165.05505	6.2
165.07013	7.7
165.09143	4.6
165.12772	6.2
166.07771	3.7
167.10629	1.9
171.11679	18.8
172.95284	1.2
173.09622	2.4
173.13293	1.7
174.99185	2.2
175.07597	11.7
175.11206	17.0
175.14812	2.5
177.09152	1.2
177.12791	1.6
178.07861	2.6
179.10701	2.7
181.10199	6.3
182.07295	2.9
184.08887	3.2
189.09171	3.3
189.12772	23.1
189.16454	3.4
191.10570	1.9
191.14365	1.4
192.09406	2.3
193.06557	4.4
193.08624	5.0
193.10194	4.7
193.12268	17.6
197.09700	1.6
197.11723	2.3
199.11201	33.2
199.14778	2.2
203.07028	2.8
207.10196	2.5
207.13808	14.3
210.06743	8.4
211.13344	1.4
217.12257	89.1
217.15852	6.5
218.06047	1.3
221.05995	2.5
221.07764	1.8
221.09683	6.9
225.09142	2.6
235.09854	6.3
235.13324	52.3
235.16862	17.0
238.06262	4.7
241.05223	3.6
253.08612	16.7
253.12227	24.8
253.14442	20.6
253.17819	8.2
257.40076	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	Jasomontanone
Peak:m/z	Relative Intensity
55.01863	6.5
55.05498	7.6
57.03439	2.9
57.07085	2.6
59.05005	16.7
59.34854	1.6
67.05503	7.1
69.03441	9.0
69.07064	4.7
70.75433	1.5
70.82678	2.1
70.83011	4.0
71.04993	6.4
79.05505	12.5
79.60091	1.7
81.03419	3.0
81.07066	12.7
83.04994	3.8
85.02927	3.8
85.06548	7.9
87.04475	5.4
88.03984	3.4
91.05485	9.6
93.07055	22.1
95.04971	6.7
95.08616	9.9
97.00465	1.8
97.02902	3.7
97.06525	4.6
98.98474	96.8
99.04436	4.8
101.05928	1.7
105.07036	17.2
107.04962	5.4
107.08593	20.4
109.06506	10.9
109.10143	10.0
110.22243	1.6
111.04441	2.4
111.08086	12.2
115.05467	1.9
117.06979	8.2
119.08596	20.4
121.02887	3.3
121.06514	11.0
121.08452	3.0
121.10155	16.0
123.04459	1.8
123.08076	7.1
123.40891	1.7
125.09629	3.2
129.07016	3.9
130.07767	2.7
131.08551	11.3
133.06488	3.4
133.10141	8.7
135.08063	100.0
135.11682	6.1
137.09645	9.2
139.03867	1.8
142.07756	2.5
144.09367	3.8
145.06514	2.5
145.10101	6.0
147.08061	15.7
147.11674	8.4
149.05998	1.9
149.09598	8.8
149.13246	2.4
151.11217	2.3
153.09084	2.1
157.10027	3.4
158.07269	2.4
159.08073	7.0
159.11713	12.5
161.09602	3.7
161.13269	2.3
163.07544	4.5
163.11185	13.4
165.09148	4.7
167.10707	4.1
172.08835	3.3
174.99251	3.1
175.11194	11.0
176.99031	2.6
177.09125	3.6
177.12833	9.6
180.18710	2.0
187.11160	17.8
187.14751	1.9
189.12737	6.0
193.08551	1.9
193.12230	9.8
195.10167	2.1
197.11739	5.0
205.08591	2.4
205.12253	55.2
207.10239	2.6
207.13765	3.0
210.18544	1.9
217.12227	4.8
217.15840	4.7
223.09898	2.3
223.13298	43.3
229.85696	1.9
235.09750	2.3
235.13287	19.7
235.17012	5.0
253.04919	2.3
253.12305	2.9
253.14436	7.7
253.18033	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	253.1435
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
53.03931	2.6
55.01878	8.2
55.02092	1.6
55.05504	6.1
57.03432	2.7
57.07081	2.3
67.05508	28.9
69.03433	2.4
69.07075	7.6
69.07392	1.7
70.18703	5.1
71.04978	4.8
73.95639	1.4
79.05493	14.1
81.03407	3.9
81.07060	30.6
83.04974	6.5
83.08592	2.9
85.06539	4.5
91.05482	20.8
93.07076	9.0
95.04942	4.3
95.08591	6.2
97.06564	1.8
98.98473	50.3
99.04464	2.5
105.07044	20.8
107.08613	18.4
109.06487	3.0
109.09465	3.0
109.10163	35.5
117.07025	2.3
119.08520	4.1
121.10143	1.8
123.08076	1.8
123.11728	8.4
127.07663	2.2
131.08524	2.9
133.10139	44.5
135.11696	4.3
151.11197	20.8
159.11728	2.1
161.09637	2.4
169.12288	4.0
172.56114	1.5
176.98872	1.6
179.10617	2.2
186.05069	1.5
206.98859	2.4
217.05519	1.8
217.15967	2.0
233.54779	1.6
235.16949	2.7
253.14357	100.0
259.93262	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.0
55.01888	0.8
55.05515	1.4
56.96573	11.3
57.03445	1.7
57.07077	1.6
59.05007	4.3
60.08182	1.2
60.95869	0.6
61.02932	2.1
67.05513	1.6
69.03443	6.0
69.07077	1.0
70.06611	0.8
70.24174	1.7
71.05005	1.4
73.02923	1.3
73.06566	100.0
74.97639	0.5
79.05492	0.8
81.03415	2.6
81.07073	1.4
83.04990	0.8
83.57777	0.4
84.04535	0.8
84.08141	0.6
84.96053	1.3
85.02919	23.6
87.04494	1.3
91.03964	1.2
91.05489	1.3
91.07610	6.7
93.07069	0.6
95.04991	1.8
95.08642	1.4
97.02899	5.2
97.06554	0.6
98.97591	3.7
98.98481	41.4
99.04490	1.9
102.96898	1.2
103.03963	1.1
105.07047	1.0
107.04971	0.7
107.08624	1.0
109.02898	2.4
109.10181	0.7
110.07184	1.4
110.97606	1.3
111.04487	0.8
112.07571	0.6
112.99197	0.6
116.98666	2.1
116.99444	1.1
119.04996	0.6
120.97966	0.7
121.02856	0.7
122.07107	0.8
123.04473	1.9
124.07688	1.2
124.99143	1.4
125.06020	0.8
127.03931	5.2
128.98621	2.0
131.00203	0.8
133.10172	0.7
134.06070	0.7
134.99702	0.5
139.03957	0.8
141.05429	0.6
143.00160	3.0
145.04982	3.0
146.99635	1.0
147.04472	0.6
149.06009	1.4
151.03897	0.7
151.07619	0.6
153.01857	10.6
153.05533	1.4
157.10095	0.7
158.99699	0.9
159.03122	0.6
161.01208	2.9
161.05936	0.5
162.05548	1.3
163.04016	0.6
165.11333	0.6
170.99780	0.9
174.99207	1.2
175.02739	0.5
176.98965	1.0
179.02437	0.7
180.09012	0.5
186.99271	0.6
187.02841	1.1
189.00735	7.8
190.98608	0.5
193.08748	0.5
193.85661	0.4
195.06470	0.8
197.11784	2.1
201.00809	0.7
205.03931	0.7
207.01790	9.9
208.08527	1.4
210.18645	0.7
211.01202	0.6
212.02379	1.0
219.01833	1.7
219.05112	0.7
225.02840	0.7
227.02271	1.0
229.00134	0.6
231.01889	0.8
237.02869	1.2
249.02861	0.9
253.10582	0.8
253.12874	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1073
Annotation	CHEBI:70192
Peak:m/z	Relative Intensity
50.27958	1.5
55.05492	2.8
57.03431	5.7
57.07082	100.0
57.98134	1.3
61.23762	1.3
67.05502	6.3
69.21862	9.7
69.22285	5.2
71.05006	3.1
79.05537	1.6
81.07074	2.7
85.06551	19.0
95.04984	10.8
95.08577	2.5
98.98486	11.6
101.32274	1.3
102.02091	1.3
105.07030	3.0
107.05018	1.9
107.08600	4.5
109.10169	3.6
109.76984	1.3
119.08597	3.4
121.06561	2.1
121.10170	3.3
123.04443	11.4
123.11739	1.9
125.09618	4.3
127.03932	1.6
133.10144	2.9
137.05998	3.9
137.59914	1.6
139.11177	1.5
143.10686	5.6
151.03923	42.8
151.07555	1.7
160.05215	3.2
161.05994	5.0
161.09584	2.0
163.07573	4.6
165.05482	13.8
165.09158	2.6
174.06767	2.8
175.07585	1.8
175.14803	1.6
177.05533	3.2
178.06229	11.0
179.03435	17.6
189.09140	13.8
207.10185	45.6
217.08537	8.6
235.09682	62.7
235.16971	4.2
253.18025	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	253.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88187	0.4
52.35716	0.4
57.07080	52.8
67.01861	0.6
68.99804	0.5
69.03448	0.5
70.15346	1.2
70.15733	0.8
73.60542	0.4
79.45847	0.4
81.07063	0.9
85.06551	10.9
91.05469	0.4
91.91750	0.4
93.07062	0.5
98.98461	1.8
127.03928	18.1
127.07590	3.7
135.07964	0.4
137.09761	0.4
147.04475	0.7
151.03838	0.5
152.58305	0.4
153.01839	100.0
168.16827	0.5
169.04990	1.3
189.09123	0.6
235.09656	2.6
253.10735	16.5
259.94254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1072
Annotation	2,4-dihydroxy-6-(4-hydroxy-2-oxopentyl)-3-methylbenzaldehyde
Peak:m/z	Relative Intensity
55.05499	1.5
57.03432	5.7
57.07081	100.0
61.71119	1.1
64.16348	1.2
68.99803	1.4
69.03458	1.0
69.44697	1.9
69.45104	6.8
70.88513	1.2
71.04995	2.8
78.39757	1.3
79.05486	1.8
81.07051	3.2
84.91360	1.1
85.06544	24.1
90.01706	1.2
91.05491	2.1
93.07047	1.2
95.08594	2.4
98.20704	1.1
98.98478	11.1
105.07038	2.4
107.04958	1.7
107.08587	2.3
109.10153	2.0
111.08164	1.4
113.06036	2.0
117.50684	1.2
119.08588	2.6
123.04424	11.5
123.08038	1.5
129.07011	1.2
131.08607	1.5
133.10089	1.2
137.05966	3.4
143.08641	1.4
147.04416	1.2
149.09630	2.7
151.03911	44.8
151.07567	1.9
160.05214	1.9
161.05986	3.9
161.09680	1.4
163.03986	1.6
163.07581	3.4
165.05467	14.2
167.05421	1.2
174.06790	2.3
175.07573	2.8
175.11089	1.3
177.05457	3.8
178.06261	14.2
179.03433	16.7
183.10704	1.1
189.09117	13.6
193.04938	1.7
207.10184	43.2
217.08595	9.3
217.15919	1.3
235.09669	60.4
235.16582	1.7
239.09717	1.2
253.17924	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1964
Annotation	CHEBI:70402
Peak:m/z	Relative Intensity
51.03073	0.2
55.05504	0.4
55.22932	0.2
56.96546	0.3
63.37921	0.2
67.05505	0.6
68.79688	0.2
69.03433	0.4
69.07071	0.4
69.47161	0.2
70.92823	0.4
70.93150	0.3
71.04971	0.4
73.02914	0.2
79.05499	0.8
81.07053	0.8
82.07388	0.7
85.02905	0.4
91.05477	0.6
93.07052	0.8
94.07347	0.5
95.04988	0.3
97.02884	0.2
97.06509	0.3
98.97565	0.3
98.97807	0.2
98.98494	3.3
101.06021	0.2
105.07058	1.1
106.06628	0.3
106.07346	0.5
107.04984	0.2
107.08594	0.7
109.06503	0.5
109.10173	0.4
110.06886	0.3
118.06564	3.3
119.08578	0.5
120.08121	0.4
120.08911	0.4
121.06557	0.3
122.06819	0.3
122.10468	0.3
122.12814	0.2
131.08600	0.4
132.08080	0.9
132.09009	0.3
133.06487	0.7
133.24832	0.2
135.11626	0.3
137.05951	0.3
145.10149	0.3
145.96678	0.3
146.09523	0.5
146.10490	0.8
147.11682	0.3
148.11208	0.4
149.09621	0.2
150.09123	1.3
151.09962	1.0
158.99687	0.3
160.07578	0.7
160.12109	0.4
161.05978	1.2
162.09196	2.6
164.11551	0.8
166.08687	0.8
166.12291	0.5
174.10030	0.3
176.10854	0.6
176.14372	17.8
177.11472	0.3
178.12285	0.4
180.13869	0.3
182.12563	0.5
188.11554	0.9
190.12282	0.8
191.09450	0.6
192.11127	0.3
192.13824	2.8
193.08627	1.0
194.11794	19.1
202.15970	0.3
205.98788	0.6
206.15723	0.3
208.13335	0.4
208.17065	0.6
209.14038	0.3
216.11041	0.8
220.16992	33.7
222.18619	0.3
229.00523	0.2
234.12042	0.9
234.15735	0.4
252.12433	3.2
252.19615	100.0
253.20029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.7
68.14744	0.5
70.02953	3.3
70.51537	1.7
74.02445	22.5
88.03993	45.1
91.05483	100.0
96.20229	0.7
96.38152	0.5
102.55647	0.6
107.04985	1.1
116.03451	15.4
120.08102	1.9
134.04494	63.2
136.06204	4.6
136.07558	1.0
146.05946	1.2
192.61273	0.6
206.08197	3.7
223.58255	0.6
234.07603	6.9
234.13629	0.6
252.08601	3.4
252.14500	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	251.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58363	0.3
54.58234	0.3
55.01868	0.5
55.71428	0.3
56.96566	10.4
57.03434	2.4
60.95858	1.0
61.02926	1.1
65.03959	0.3
67.05499	1.1
68.05040	0.3
69.03430	2.4
69.07066	0.5
69.28435	0.3
70.06593	100.0
70.98104	0.6
71.04992	0.6
72.08163	0.4
73.02911	0.9
73.06562	0.4
79.05492	0.9
80.24699	0.3
81.03446	0.5
81.07068	0.8
82.06613	0.5
84.08109	0.5
84.96039	1.4
85.02906	2.3
85.06559	0.6
87.04484	0.5
91.05481	1.6
93.07048	1.4
95.04977	2.1
95.08625	0.6
97.02914	1.5
98.06046	0.5
98.21607	0.7
98.97604	7.7
98.98479	22.9
99.04467	0.4
99.97948	0.3
100.97215	0.4
100.99170	1.2
102.96880	0.8
105.07050	0.5
107.04959	1.1
108.08136	1.2
109.02894	1.0
109.06536	0.8
110.07191	0.5
110.97574	1.8
112.07606	0.8
112.99152	1.0
113.05977	1.7
116.98631	3.5
119.00134	0.5
119.01842	0.6
119.04980	1.0
119.08608	1.3
119.97388	0.5
121.02906	0.5
121.08893	0.3
123.04433	0.8
124.99155	1.2
125.99127	0.6
126.09161	2.3
127.03960	0.7
128.98589	2.1
130.08658	1.4
131.00208	0.7
131.99136	0.3
134.09673	0.9
134.99690	1.2
135.04393	0.3
136.11211	4.5
137.06018	1.1
137.09660	1.1
138.12787	0.5
139.03940	0.5
140.98630	0.8
143.00168	2.4
144.98099	0.7
144.99741	0.3
145.01811	0.4
146.99655	1.6
147.04411	4.4
147.08067	1.0
148.04845	0.4
149.01204	0.6
153.01839	0.4
154.12267	0.3
154.71123	0.4
155.02783	0.4
155.04626	0.8
156.03308	0.9
157.01683	0.5
158.06628	0.4
158.99696	2.3
161.01257	1.8
161.02953	0.5
161.04695	0.7
162.99078	0.7
163.04370	0.4
164.05223	0.5
164.10733	4.9
164.12009	0.5
165.00665	0.6
165.09122	2.1
166.98541	0.4
168.02557	0.5
168.98154	0.4
170.99680	0.7
173.01213	0.5
174.04420	0.6
174.99261	1.3
175.02783	0.6
177.00751	1.3
182.11769	34.1
183.02368	0.4
185.01291	0.6
186.04427	0.7
186.99162	1.4
189.00677	0.8
190.98672	1.1
191.02330	0.7
191.03915	0.4
192.03107	1.3
195.10280	0.4
196.00989	0.6
201.00775	0.5
203.02290	0.5
204.05469	0.4
205.00250	1.4
205.01936	0.4
207.01768	0.4
208.99692	1.3
213.00816	0.4
219.01894	1.1
223.01237	0.5
225.10846	0.4
227.00513	0.5
228.02316	1.4
233.03152	0.4
233.16557	3.7
237.02815	3.0
248.53821	0.5
251.04424	0.9
251.09932	0.4
251.17761	1.9
267.03937	0.9
269.05539	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	251.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.3
56.96562	0.5
57.03438	1.7
57.03671	0.3
57.07093	0.3
63.14556	0.3
67.05508	1.2
68.05034	0.3
69.07054	0.3
69.90050	0.3
70.06594	100.0
71.02448	0.6
71.02802	0.4
71.67931	0.3
79.05492	0.7
80.90409	0.3
81.07069	0.6
82.06613	0.4
85.06548	0.5
91.05472	0.7
93.07052	0.8
95.04954	2.2
95.08629	0.8
98.98471	24.1
101.58461	0.3
105.07054	0.3
107.08640	0.5
108.08135	1.0
109.06564	0.4
109.10207	0.3
113.05967	1.5
116.95657	0.3
119.08608	1.4
126.09154	2.2
128.02235	0.3
134.09714	0.9
135.07980	0.3
136.11230	4.7
137.06018	0.7
137.09657	0.9
138.12798	0.8
146.06003	0.3
147.04427	1.1
147.08076	0.9
149.09546	0.5
164.10727	4.5
165.09108	2.4
173.28201	0.3
174.99300	1.1
182.11774	33.9
207.12215	0.4
233.16554	3.5
240.15504	0.3
251.15018	0.5
251.17583	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
53.03941	1.6
55.01860	1.0
55.05510	4.1
57.03421	0.9
57.07085	3.7
59.05007	4.5
62.53894	0.7
63.04818	0.8
65.03943	0.8
67.05505	8.3
69.03436	4.6
69.07079	4.9
69.60000	1.1
71.04994	17.9
71.53951	1.2
79.05499	6.7
81.07063	10.6
83.04990	4.6
83.08609	3.7
85.02895	1.4
85.06561	4.6
91.05483	8.2
93.07048	9.2
95.04965	7.7
95.08616	11.1
97.02898	1.2
97.06537	6.2
98.98472	100.0
99.04462	1.8
99.08115	1.0
103.05504	0.9
105.07031	11.3
107.04945	2.8
107.08601	11.1
109.06512	4.3
109.10172	7.3
111.00574	0.8
111.04435	1.1
111.08077	4.6
113.05980	2.8
113.09641	0.9
116.98663	0.8
116.99495	2.0
117.06996	3.0
119.05042	0.9
119.08587	15.4
121.06502	4.3
121.10143	12.9
123.08048	5.2
123.11693	3.6
125.06003	8.1
125.09606	2.3
129.07034	1.7
131.08559	7.6
133.06458	1.1
133.10138	4.6
135.08047	3.1
135.11679	3.9
137.05969	1.0
137.09624	15.2
139.11142	1.0
143.08589	1.4
145.10121	13.7
147.06949	1.5
147.08054	25.3
147.11685	8.3
149.09624	8.1
149.13257	1.1
151.07545	1.4
151.11177	2.6
151.14819	2.2
153.09102	2.4
155.10670	1.8
157.10078	3.0
159.08064	1.9
159.11668	3.2
161.13235	2.4
163.07469	1.1
163.11200	20.7
163.14792	1.4
165.09096	1.8
167.10672	1.0
173.09604	3.4
173.13257	4.0
174.99232	6.5
175.11200	6.3
177.09044	2.0
177.12726	0.9
177.16368	0.8
179.14320	6.1
181.12233	3.9
187.11250	2.1
187.14812	5.2
189.12769	0.9
189.16280	1.0
191.10608	1.7
191.14330	6.7
193.12218	3.1
195.10098	1.1
195.11676	0.8
197.13232	1.2
205.12239	1.5
205.15837	3.5
207.13794	2.9
209.15370	1.3
215.10593	1.4
215.14249	5.7
215.17796	1.5
223.16991	1.0
233.11649	2.0
233.15381	24.6
233.18913	1.1
251.04652	1.1
251.06978	1.1
251.12653	3.9
251.16414	38.7
251.20181	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1282
Annotation	Pterosin T
Peak:m/z	Relative Intensity
53.03942	2.9
55.01878	4.2
55.05526	6.0
57.03437	1.3
59.04995	1.5
59.89881	1.1
65.03938	1.5
67.05515	14.0
69.03434	5.3
69.07072	9.0
69.91988	4.6
71.05012	7.6
79.05505	19.8
81.03400	1.2
81.07066	21.9
83.04984	5.5
83.08622	3.1
85.06555	6.1
87.04491	1.4
91.05492	15.4
93.07056	36.7
93.07646	2.1
95.04977	16.3
95.08617	12.8
97.02901	2.3
97.06544	11.6
98.20827	1.3
98.98476	100.0
99.04469	8.4
105.04520	1.4
105.07041	25.9
107.04978	8.0
107.08605	13.0
109.06531	17.8
109.10175	6.7
111.04466	3.6
111.08087	6.3
113.06001	1.5
115.05421	1.4
116.74207	1.4
117.07020	6.6
119.04995	7.1
119.08612	8.0
121.06512	20.0
121.10150	12.5
123.08073	4.1
123.11701	2.3
125.05981	3.6
127.07573	3.8
128.06281	2.2
129.07013	3.6
130.07793	2.9
131.08586	16.7
133.06509	4.2
133.10143	7.9
135.04462	1.7
135.08081	3.9
135.11670	5.5
137.06003	4.8
137.09679	2.7
139.07558	16.8
139.11221	1.5
141.06978	3.0
143.08591	5.7
144.09370	4.1
145.06509	5.1
145.10150	36.3
147.08047	2.9
147.11729	6.7
149.06082	1.2
149.09631	6.3
149.13402	1.4
151.07570	2.6
151.11177	1.5
154.07832	2.5
155.08546	2.0
157.08623	10.8
157.10046	2.5
158.07314	3.4
159.08069	4.7
159.11716	21.8
159.77640	1.0
161.09676	2.0
161.13312	1.9
163.11206	15.9
167.08536	1.6
167.10703	16.7
169.10146	9.1
171.08011	1.3
171.11694	2.2
172.08881	2.0
173.05927	1.3
173.09665	14.8
173.13292	3.2
174.99271	4.6
175.11150	2.3
177.09129	1.1
177.12779	4.6
179.08621	3.3
179.10686	1.1
181.12233	1.4
182.07285	2.2
187.11211	40.5
187.14838	2.5
189.12804	3.2
191.10703	11.0
197.09619	11.1
205.12274	15.1
205.15945	1.5
215.10696	43.9
215.14232	3.1
215.17993	2.3
233.11745	18.7
233.15251	6.4
233.18953	1.9
239.05817	1.2
251.07043	1.2
251.09175	1.2
251.12730	12.4
251.16478	12.3
251.20032	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	251.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01874	3.6
55.05507	6.1
57.03442	1.3
57.07092	1.3
57.93563	1.0
66.47811	0.9
67.05515	8.8
69.03438	4.6
69.07081	7.4
69.77104	4.7
70.06586	1.0
71.04996	4.1
73.02929	1.4
77.01611	1.3
79.05499	17.1
81.03428	2.2
81.07066	26.3
83.04994	4.7
83.08616	1.2
85.02896	1.6
85.06542	2.8
86.14435	1.0
91.05496	13.0
93.07047	28.1
95.04969	8.6
95.08607	11.0
97.02914	2.4
97.06545	8.2
98.21535	1.2
98.98475	100.0
99.04470	4.8
105.03416	2.0
105.07036	20.4
107.04944	10.3
107.08604	15.2
107.66728	1.1
109.02893	1.3
109.06542	12.1
109.10167	4.8
111.04476	2.2
111.08083	2.6
113.06021	1.8
115.05448	1.4
117.07029	8.5
119.04940	3.4
119.08597	9.0
121.06512	13.2
121.10135	7.6
123.04501	1.1
123.08087	3.2
123.11687	1.1
125.05993	6.7
127.07537	1.4
128.06256	1.7
129.07001	2.9
130.07806	2.9
131.08572	10.4
133.06483	2.9
133.10143	5.4
135.08069	6.3
135.11684	13.7
137.05988	10.0
137.09615	1.3
139.07545	5.1
141.07005	1.9
143.08589	3.8
144.09343	3.0
145.06508	4.7
145.10135	35.4
147.08086	3.4
147.11707	4.5
149.06001	1.7
149.09659	3.0
151.07544	1.6
153.01868	1.4
153.12810	1.6
154.07748	1.7
155.08569	2.3
157.08731	1.5
157.10153	2.8
158.07390	1.3
159.08047	4.5
159.11696	13.8
161.13257	1.6
163.07573	1.8
163.11189	46.1
165.09164	1.4
169.10112	5.7
171.11656	1.5
172.08876	2.0
173.09654	18.8
173.13306	2.6
174.99258	5.4
175.11191	2.5
177.12747	2.4
179.08679	1.5
181.12251	20.2
187.11206	22.1
187.14755	2.0
189.12764	2.4
191.06931	1.2
191.10687	14.5
191.14394	1.7
197.09633	5.9
205.12276	10.7
205.15715	1.1
209.11719	1.3
215.10690	26.4
215.14291	4.7
227.12804	6.1
233.08173	1.7
233.11742	17.4
233.15334	7.3
251.09048	5.0
251.12762	10.4
251.16417	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	251.1279
Annotation	Lachnumfuran A
Peak:m/z	Relative Intensity
51.62445	1.9
53.03942	4.5
55.01865	7.1
55.05514	8.5
56.96571	2.1
57.03422	1.9
57.07070	2.6
59.04992	4.0
65.03948	2.0
67.05506	18.5
69.03412	9.6
69.07061	16.0
69.80385	8.9
71.04992	11.6
76.07452	2.3
76.58199	1.7
78.99654	1.9
79.05491	34.1
81.03386	3.3
81.07060	57.2
82.53143	2.2
83.05000	9.5
83.08653	3.3
85.06546	4.9
91.05470	26.4
93.07045	68.4
95.04967	22.8
95.08051	3.5
95.08612	34.2
97.02895	6.2
97.06535	16.8
98.98471	100.0
99.04473	15.4
105.04549	1.9
105.07035	56.0
107.04964	29.2
107.08596	40.7
109.06516	38.4
109.10161	8.8
111.04438	4.1
111.08086	6.1
113.06042	4.9
115.05423	2.2
117.07005	17.7
119.04915	11.5
119.08580	17.6
121.06516	32.0
121.10160	14.4
123.04394	3.0
123.08078	2.7
125.05982	18.0
125.09588	2.3
127.07565	4.1
127.78870	2.2
128.06213	3.8
129.07013	7.1
130.07816	8.2
131.08574	20.5
133.06493	7.6
133.10135	9.3
135.08061	11.6
135.11702	36.6
137.05974	31.1
137.09628	3.1
137.13254	3.2
139.07547	18.5
141.06973	3.4
143.08575	9.6
144.09341	4.2
145.06487	10.2
145.10129	84.5
147.08070	4.7
147.11702	8.8
149.06020	4.6
149.09616	5.9
151.07561	3.0
153.01814	2.9
153.09167	3.6
154.07797	6.5
155.08595	3.8
157.08688	5.6
157.10173	5.3
158.07274	5.0
159.08061	5.1
159.11699	31.6
161.13257	3.9
163.11183	98.0
167.03389	6.0
169.05180	1.9
169.10100	9.9
171.11710	4.4
172.08821	4.6
173.06039	2.8
173.09627	36.4
173.13222	3.4
174.99269	3.6
177.12717	4.9
179.08595	4.4
181.12245	64.0
182.07317	4.8
187.11174	46.3
187.14735	2.4
189.12772	3.8
191.10684	30.3
191.14282	4.5
192.44566	2.0
197.09659	17.4
205.12233	30.8
215.10680	64.6
223.09576	10.2
227.12799	21.6
233.08145	3.3
233.11723	42.2
233.15408	8.8
251.09103	6.2
251.12814	22.7
251.16333	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.128
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
52.13307	1.0
53.03946	3.9
55.01877	5.9
55.05521	6.4
57.03449	2.3
57.07078	1.7
59.04998	2.9
67.05513	12.4
69.03436	7.1
69.07076	9.9
70.11814	4.2
71.05010	6.2
79.05501	19.3
80.61700	1.0
81.03444	2.0
81.07070	27.1
83.04993	6.2
83.08604	2.1
85.06556	5.0
91.05499	16.8
92.05813	1.1
93.07055	31.0
95.04992	13.2
95.08611	15.6
96.08124	3.3
97.02892	3.1
97.06541	10.8
97.08437	1.2
98.98480	100.0
99.04475	9.5
103.05497	1.6
105.07043	32.2
107.04965	9.8
107.08605	17.4
109.06543	20.8
109.10186	3.4
111.04460	3.9
111.08094	4.9
113.06001	2.2
115.05392	1.3
116.99451	1.2
117.07024	10.6
119.04945	7.7
119.08581	12.6
121.06521	23.8
121.10181	9.4
123.04401	1.5
123.08072	4.9
123.11710	1.8
125.06001	7.3
125.09621	1.4
127.07579	3.0
127.11225	1.2
127.28221	1.0
128.06209	3.4
129.06999	5.3
130.07774	3.1
131.04938	2.7
131.08582	19.1
133.06490	5.2
133.07368	1.3
133.10175	7.8
134.09688	10.2
135.04440	2.1
135.08096	9.0
135.10039	16.9
135.11691	15.3
137.05992	16.4
137.09637	2.4
139.07574	7.3
141.06982	3.4
142.07750	1.4
143.08614	6.3
144.09340	4.6
145.06528	6.7
145.10143	51.4
145.11310	2.5
147.08092	5.6
147.11702	7.1
149.05975	3.5
149.09627	3.1
149.13289	2.1
151.03917	3.6
151.07530	2.2
151.11250	1.8
153.09116	1.4
154.07802	3.0
155.08502	2.6
157.08607	3.7
157.10153	3.7
158.07292	3.5
159.08087	4.8
159.11717	22.7
161.09624	2.8
161.13260	1.8
163.07552	3.5
163.11209	32.5
167.10712	2.4
169.10178	9.3
171.08032	1.6
171.11714	3.7
172.08778	3.3
173.09654	22.5
173.13220	1.9
174.99237	4.5
175.11182	3.9
177.09094	1.8
177.12766	3.7
179.08568	4.6
181.12262	18.8
182.07234	3.2
187.11212	42.0
187.14850	4.3
189.09143	2.2
189.12737	3.5
191.07057	5.3
191.10715	17.0
191.14378	2.6
191.16148	2.5
192.14719	2.8
193.12323	1.6
195.02928	2.0
197.09645	11.4
203.06993	2.7
205.12253	19.2
205.15924	1.8
207.13895	1.5
215.10703	48.1
215.14124	2.7
216.14653	1.6
221.08087	2.1
227.12794	5.4
233.11763	35.4
233.15274	10.1
233.17165	1.4
251.00127	1.4
251.07054	1.9
251.08994	2.5
251.10750	2.1
251.12814	16.3
251.16380	8.6
251.18575	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	251.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.1
55.01875	2.9
55.05516	7.1
57.07080	1.5
59.05012	1.8
59.81898	1.2
66.56564	1.4
67.05512	13.3
69.03429	5.5
69.07071	11.5
70.92771	2.6
71.05004	7.6
78.27921	1.1
79.05503	20.7
81.03458	1.8
81.07059	27.0
83.04984	6.0
83.08648	3.0
85.06548	4.9
91.05489	14.3
93.06129	1.3
93.07047	34.5
95.04974	10.4
95.08617	19.6
97.02890	3.5
97.06543	7.6
97.10160	1.6
98.98474	100.0
99.04444	9.3
99.08108	1.9
103.05447	1.3
105.07037	25.1
107.04961	13.7
107.08593	22.8
109.06524	17.4
109.10171	5.4
111.04450	2.2
111.08102	3.9
113.06010	2.2
115.05470	2.8
116.98618	2.2
116.99483	2.0
117.07047	9.7
119.04951	4.5
119.08595	12.9
121.06514	21.6
121.10157	8.5
123.08064	5.8
123.11712	3.3
125.05998	9.3
125.09641	1.4
127.07605	1.3
129.07002	4.1
130.07799	4.2
131.08600	13.3
133.06491	4.7
133.10158	8.1
135.04445	2.5
135.08090	7.9
135.11703	18.4
137.05969	9.8
137.09564	2.1
137.13272	2.8
139.07570	8.0
140.01064	1.4
141.07022	3.0
143.08565	6.8
144.09341	2.8
145.06535	3.6
145.10138	52.4
147.08081	7.0
147.11699	5.6
149.06050	1.5
149.09639	4.0
149.13275	1.9
151.07523	1.5
153.01828	3.1
154.07776	3.8
155.08545	3.0
157.08618	3.0
157.10040	2.8
158.07303	3.5
159.08083	5.1
159.11707	22.2
161.09651	1.9
161.13293	3.6
163.11189	60.3
167.08609	1.5
169.10101	6.0
171.08121	1.3
171.11732	2.6
173.09619	21.3
173.13287	3.5
174.99275	5.6
175.11205	3.9
177.12770	3.6
179.08621	1.7
181.12245	31.4
182.07326	1.8
187.11192	27.9
187.14786	4.4
189.12747	2.9
191.10713	15.8
191.14336	4.1
197.09613	8.2
205.12250	15.2
205.15746	1.4
207.13626	1.4
215.10701	32.2
215.14120	2.4
227.12852	10.7
230.07498	2.1
230.11810	1.6
233.11742	25.1
233.15338	8.8
251.09065	2.7
251.12761	14.6
251.16371	13.5
251.20143	2.1
252.19630	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1279
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.03942	3.6
55.01881	6.7
55.05523	9.7
57.03432	2.1
59.05009	5.8
65.03937	2.3
66.15451	1.3
67.05508	13.3
69.03428	8.4
69.07071	13.6
69.71114	1.1
71.05002	8.9
71.53709	1.9
79.05499	19.6
81.03448	2.7
81.07063	33.0
83.04982	7.3
83.08614	4.5
85.02897	1.8
85.06543	4.0
91.05492	17.0
93.07053	34.7
95.04979	16.9
95.08619	15.8
97.02891	3.5
97.06540	12.4
97.10140	1.9
98.98474	100.0
99.04460	11.3
99.08077	1.9
103.05423	2.0
105.07040	35.5
107.04973	12.1
107.08606	22.4
109.06530	27.5
109.10162	7.1
111.04433	2.0
111.08099	4.9
113.05994	4.7
115.05431	2.3
117.07045	9.4
117.57536	1.1
119.04965	7.5
119.08605	16.5
121.06519	25.4
121.10142	11.2
123.04420	1.9
123.08093	7.4
125.06039	7.0
125.09605	8.1
127.07532	5.6
128.06172	2.0
129.06995	5.9
130.07811	4.5
131.04950	1.7
131.08578	18.6
133.06508	6.1
133.10118	7.5
135.04391	1.9
135.08052	22.0
135.09012	1.9
135.11705	11.3
137.06000	26.7
137.09612	3.9
139.07573	9.5
141.07005	2.4
142.07825	2.0
143.08574	7.4
144.09351	3.3
145.06483	5.2
145.10136	49.9
147.08051	5.0
147.11691	8.7
149.06004	1.6
149.09612	10.3
151.07535	2.8
151.11214	1.5
153.09074	1.9
154.07825	2.4
155.08572	3.4
157.06476	1.7
157.08609	5.0
157.10147	4.3
158.07269	3.8
158.10962	1.2
159.08064	7.5
159.11710	28.4
161.05930	1.4
161.09615	2.5
161.13301	2.8
163.07533	2.3
163.11189	30.9
165.09132	12.2
169.10147	8.5
171.11705	3.8
172.08846	2.5
173.06088	1.1
173.09644	21.1
173.13193	5.9
174.99265	5.7
175.11206	4.6
177.09113	4.3
177.12740	4.8
179.08591	5.2
181.12236	12.3
182.07262	3.8
187.11203	40.7
187.14769	6.7
189.12733	3.2
191.10690	16.1
191.14352	5.7
195.02943	1.5
197.09630	13.0
197.13322	1.7
205.12231	16.9
205.15904	6.4
215.10698	46.3
215.14127	11.1
227.12773	2.3
233.11757	28.2
233.15373	27.6
233.18903	2.6
251.09027	2.4
251.12802	18.7
251.16435	48.1
251.20107	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	15.1
57.03438	6.5
60.95858	1.4
61.02930	24.2
69.03410	2.7
70.77786	3.0
70.78824	1.0
70.98117	6.5
70.99842	3.1
71.01322	1.2
71.04973	1.2
71.21136	0.9
73.02911	2.5
82.00981	1.9
82.01446	27.2
82.01929	1.5
84.96014	3.3
85.02909	6.8
88.99129	1.2
89.00800	2.6
91.02477	1.1
97.02883	2.9
98.01286	2.2
98.97584	14.8
98.98458	22.7
100.00154	1.1
100.02485	36.1
101.00875	3.0
102.51190	1.1
102.96861	1.6
104.01296	2.2
106.00976	1.2
109.00482	1.2
109.79035	1.0
110.01242	1.4
110.97566	2.3
112.01006	1.2
112.99115	1.7
113.02369	2.2
113.43381	1.3
115.99544	1.1
116.01360	1.1
116.98599	3.9
116.99383	1.1
117.01852	2.0
118.01054	2.5
118.03529	5.9
119.01883	4.9
120.00671	1.6
121.01588	1.3
123.00230	1.6
124.95509	3.5
124.99113	2.6
126.00728	1.7
126.06388	1.1
126.98788	9.9
127.03912	3.0
128.98601	3.3
131.00133	1.2
131.01927	1.8
132.00774	6.2
133.03427	3.0
134.99641	1.0
135.01378	1.3
139.01526	4.3
139.04216	2.0
140.98579	2.2
141.01282	7.6
142.96550	2.2
143.00107	2.1
143.01883	1.9
144.99825	17.8
145.01584	1.3
145.03452	1.5
146.99649	4.9
147.01366	2.0
147.04405	1.1
148.02109	8.2
148.03844	3.5
149.01323	1.3
150.00404	3.1
150.01807	8.9
150.99228	1.1
152.94913	1.2
154.98302	6.4
156.01801	1.3
156.98128	2.0
157.02574	13.6
158.99643	2.4
159.01302	2.7
161.02913	1.9
163.01001	1.1
165.00774	1.8
168.01447	14.5
170.96057	2.1
172.97926	1.6
172.99336	40.1
173.00879	1.6
174.99156	4.6
175.00677	1.9
177.00832	1.9
177.02449	5.6
177.99748	5.1
182.01567	3.7
182.99837	1.2
183.02245	1.1
184.01326	1.9
186.99135	3.0
187.00877	5.7
188.97055	1.9
189.00662	1.9
190.01286	3.7
190.98737	2.8
191.00366	12.4
191.02138	4.8
191.03807	1.3
193.00127	1.4
196.00935	100.0
197.02202	2.5
198.02672	1.7
200.02559	1.6
202.98616	1.6
205.00156	7.0
205.01912	8.3
206.02457	2.3
210.02647	3.3
212.02597	2.9
212.04422	1.4
214.01982	25.5
219.02341	1.9
223.01077	2.4
226.02388	4.1
228.03557	43.4
230.05112	1.2
232.99571	1.5
235.02904	2.0
237.02748	1.9
242.03638	4.1
246.04596	4.7
251.04582	1.7
252.35378	1.3
263.00717	1.5
269.05405	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05015	0.4
55.01908	0.5
55.05512	0.8
56.96567	2.6
57.03436	1.1
57.66610	0.4
61.02935	1.2
69.03435	2.5
70.06604	2.6
71.52773	0.4
71.53266	0.7
72.08136	0.6
73.02935	0.7
81.03428	0.7
85.02909	14.2
88.07634	100.0
88.99312	0.5
89.95003	0.4
95.04955	0.7
96.14971	0.4
97.02886	3.4
98.97592	2.0
98.98483	5.4
99.04485	0.7
107.05006	0.5
109.02875	1.4
109.06514	0.6
110.06062	0.5
111.04495	1.0
112.02231	1.1
112.04783	0.5
116.98665	0.8
127.03929	2.0
128.02393	0.5
136.06158	1.2
140.01666	1.2
145.04967	1.4
147.04446	1.3
158.02727	0.8
158.99707	1.1
162.05504	0.7
177.07852	4.1
186.02177	3.6
188.12839	1.4
204.03293	1.2
206.11780	15.1
218.08163	0.5
227.02304	0.5
250.03848	1.4
250.10915	0.7
250.14569	5.9
250.16815	0.6
250.19814	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	249.1488
Annotation	CHEBI:67422
Peak:m/z	Relative Intensity
51.02388	0.7
53.03936	2.9
55.01869	1.7
55.05516	4.1
56.96571	0.9
57.03425	1.6
57.07073	2.4
58.06601	1.3
59.04995	0.7
61.02908	0.8
64.66421	0.8
65.03935	1.3
67.01868	6.8
67.05177	1.2
67.05509	14.5
68.99796	1.6
69.03436	23.6
69.07059	2.7
71.04985	2.8
74.51862	0.7
79.05498	4.3
81.03430	7.0
81.07063	8.8
83.04975	6.4
83.08617	1.7
85.02914	9.4
87.00834	5.7
91.05488	17.7
93.07050	10.9
95.04975	19.0
95.08619	6.6
97.02896	9.4
97.06537	1.9
98.97594	6.4
99.04469	4.6
103.05453	0.9
105.01881	1.1
105.03371	1.9
105.07020	7.5
107.04967	2.5
107.08608	6.9
109.02883	8.1
109.06522	5.0
109.10163	4.3
110.07294	1.3
111.04453	4.5
111.08075	2.7
113.05990	0.8
115.05493	1.0
116.06249	2.7
116.98629	1.3
117.07021	4.8
119.04940	1.8
119.08589	28.9
121.06508	4.9
121.10149	3.4
123.08086	1.4
125.05972	1.0
127.03929	10.5
128.06195	0.9
129.01813	0.8
129.07014	3.4
131.08575	4.0
132.05734	0.8
133.06516	2.7
133.10123	6.0
135.04437	1.2
135.08076	6.2
135.11693	1.3
137.05980	2.7
137.09627	6.7
139.07527	0.9
143.08575	1.9
145.04962	1.1
145.10143	2.9
147.08057	100.0
147.11685	2.3
149.09621	4.1
156.09319	1.3
157.10152	1.6
158.99675	2.4
159.08110	1.6
159.11737	2.5
159.36362	0.8
161.05946	1.6
161.09651	5.5
161.13303	4.6
165.05496	0.8
165.09152	2.0
170.10960	1.1
171.11705	3.5
173.09665	1.3
175.07556	12.5
175.11169	1.0
175.14835	1.4
185.13243	3.0
189.09090	1.5
189.12746	8.9
195.11722	0.7
203.14330	6.5
207.13776	0.9
213.03952	0.9
213.12775	7.4
220.10414	1.8
228.10155	2.5
231.04999	1.2
231.13815	26.1
249.09192	1.4
249.11279	1.8
249.12180	1.3
249.14888	13.5
249.18468	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	249.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	20.1
71.52133	2.5
84.96019	1.8
94.93029	3.6
98.97591	100.0
100.07610	1.7
100.99149	14.0
112.99136	4.2
116.98632	30.6
128.98601	3.1
131.00165	3.1
134.99641	4.1
143.00171	17.7
143.61029	1.5
146.08092	2.3
146.99654	6.7
158.99658	5.1
161.01234	11.3
165.00726	8.6
167.54399	1.8
177.00749	4.1
183.01740	2.4
189.00714	27.6
207.01779	44.1
225.02838	3.8
230.03348	1.9
249.03732	24.8
269.05630	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1124
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
52.02474	0.3
55.01862	1.1
55.05505	0.8
56.96567	1.0
57.03424	0.9
59.04998	0.7
63.59573	0.3
65.03951	0.4
67.05504	1.0
68.99784	0.5
69.03437	4.3
69.07064	0.8
71.04983	0.9
71.53575	0.3
73.02906	1.0
75.33698	0.4
79.05502	2.1
81.03439	2.2
81.07044	1.3
82.06581	0.7
82.95031	0.4
83.04961	0.5
85.02911	4.7
87.00824	1.5
91.04977	0.6
91.05492	8.1
93.07036	1.8
95.04959	1.2
95.08601	1.1
97.02906	2.6
97.06526	0.5
98.97598	4.0
99.04457	1.4
103.05474	1.1
104.35637	0.4
105.01862	0.4
105.03367	0.8
105.07042	4.2
107.04957	2.8
107.08607	1.3
109.02869	1.3
109.06529	0.6
109.10156	0.6
110.97589	0.4
111.08105	0.8
115.05455	3.6
116.06264	1.9
116.06973	0.4
116.93150	0.4
116.93981	0.4
116.98635	0.8
117.07009	3.0
119.04932	0.9
119.08577	1.6
119.29662	0.4
120.57092	0.4
121.02872	0.4
121.06490	0.7
121.94681	0.4
123.04442	1.0
123.08094	0.5
126.03730	0.4
127.03934	2.7
127.05457	0.4
128.06245	7.4
128.98601	0.6
129.07014	17.1
130.07788	1.1
131.04921	1.5
131.08575	14.5
132.05722	1.2
132.95789	0.6
133.06532	2.6
133.10133	3.5
135.04384	2.8
135.08003	0.8
137.25717	0.4
139.05460	0.6
141.06996	8.2
142.07788	3.2
143.04887	0.7
143.08546	2.9
144.05721	7.6
145.06488	4.9
145.10124	0.7
146.07251	2.4
146.99620	0.4
147.04436	1.2
147.08063	1.1
147.11708	0.5
151.07484	0.9
152.06238	0.6
153.05777	0.3
153.06938	1.7
155.06006	1.0
156.05728	1.3
157.06523	7.9
157.10091	0.6
158.07281	1.6
158.99646	1.7
159.08070	22.6
160.05225	0.8
160.06409	0.5
160.08878	0.6
161.06001	3.5
161.09642	6.3
167.07069	0.6
169.06451	1.4
169.07657	3.2
170.07295	6.5
171.04417	1.3
171.08064	5.6
172.05223	2.4
173.05974	3.4
173.13243	1.0
174.06848	2.1
175.07587	2.9
177.00714	1.0
178.06253	0.9
185.06021	1.2
185.09698	0.4
185.13316	0.6
187.07567	14.1
188.08308	1.3
189.05511	2.8
189.09142	8.1
189.12746	0.5
190.06223	1.0
190.07704	0.6
191.06970	1.1
193.08575	0.9
198.06747	1.5
199.07623	2.6
201.05548	1.5
203.07062	5.1
203.08806	0.6
203.10753	0.5
204.07831	11.4
205.04912	0.8
205.08623	1.2
206.09442	1.2
207.06422	0.6
208.08583	1.0
216.07825	3.1
217.08698	0.7
218.09425	1.2
219.10217	1.6
221.08136	1.0
221.11714	2.4
231.06734	0.5
231.10197	5.7
231.13814	1.3
234.08946	1.0
249.11249	100.0
250.10950	0.6
261.56149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1647
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
53.03938	3.0
55.05503	5.2
57.07070	2.8
59.05003	1.6
62.27944	0.9
67.05497	4.6
69.03431	13.6
69.07074	7.4
70.06599	1.2
71.05003	1.3
72.08153	1.3
75.92324	1.0
79.05499	4.7
81.07059	6.9
83.04974	2.7
83.08605	1.8
84.08176	1.1
85.02876	1.8
85.06549	3.2
86.09701	2.8
91.05481	9.1
93.07042	19.1
94.06568	3.3
95.04956	4.2
95.07328	1.7
95.08611	8.6
96.08125	10.2
97.06512	2.4
105.07018	10.8
107.08601	10.4
108.08138	5.1
109.06524	2.8
109.10140	2.1
111.08089	11.9
111.08801	1.4
116.07147	1.2
117.07008	2.1
119.08585	21.4
119.71262	0.9
120.08101	2.7
120.10722	0.9
121.06533	1.4
121.08862	1.6
121.10151	9.6
122.06034	18.6
122.09666	9.3
123.08060	8.1
124.07579	2.8
124.11243	1.4
125.09641	7.0
131.08553	3.4
132.08125	2.3
132.76546	1.0
133.06490	3.5
133.10153	9.6
134.06004	1.1
134.09657	15.1
135.08052	2.3
135.11684	11.9
136.07646	1.9
136.11240	4.9
137.13257	3.4
140.14331	4.4
143.08627	1.0
145.10085	3.3
146.09615	2.3
147.08043	2.8
147.11702	7.8
148.11247	8.0
149.09610	1.7
149.11984	1.9
150.09172	5.2
151.07532	1.4
153.09094	3.6
156.09355	1.6
159.08031	1.5
159.11729	1.5
161.09656	2.2
161.13268	36.9
162.12822	5.2
163.11176	2.4
163.13608	1.4
164.10710	7.7
164.14316	3.2
165.12794	1.1
171.11685	3.1
174.09090	1.3
174.10434	2.6
176.14323	1.4
186.14925	10.4
188.14316	6.6
189.12750	17.2
190.12262	7.3
191.13013	1.5
192.10184	4.2
202.08664	2.6
202.15919	2.3
204.13821	12.0
206.15402	35.9
207.13785	12.9
212.16380	1.1
214.22458	0.9
220.16946	1.1
230.15475	2.8
231.13858	1.8
248.09268	2.7
248.16473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1333
Annotation	Parishin B
Peak:m/z	Relative Intensity
51.23485	1.4
53.03953	6.3
55.01873	3.1
55.05505	3.0
56.95235	1.0
62.43236	1.2
65.03944	4.8
67.05502	4.5
69.03435	16.9
69.07087	1.2
70.07197	2.1
70.07605	4.2
79.05508	7.2
81.07072	7.3
83.04994	13.9
91.05489	12.3
93.03423	4.6
93.07050	13.2
95.04973	4.5
95.08611	2.0
97.02898	6.3
100.47825	1.1
103.05478	1.1
105.07036	12.5
107.04926	1.3
107.08617	14.8
109.02901	17.0
109.06526	13.6
109.10168	2.4
111.04461	5.0
115.05466	2.1
117.07042	7.6
119.08597	17.3
121.02854	3.3
121.06514	17.5
121.10164	7.1
123.04463	1.2
123.08054	2.0
125.05967	1.1
128.06210	1.8
129.07043	5.7
130.07794	1.9
131.08586	17.0
132.05702	1.8
133.06491	1.9
133.10133	11.5
134.57413	1.4
135.08070	26.8
137.05956	7.0
137.09604	3.9
139.03911	1.4
141.07019	1.7
142.07762	2.0
143.08563	12.4
144.09352	9.8
145.06494	7.9
145.10139	12.8
147.08066	3.7
148.44542	1.1
149.09637	21.3
150.10425	5.3
151.11177	4.7
153.07059	2.6
153.09117	1.3
154.07747	1.4
155.08556	5.2
157.10217	2.8
158.07330	2.3
158.10956	12.6
159.08076	11.3
159.11710	31.1
160.08778	1.9
161.09613	4.1
163.07573	20.0
163.08850	2.2
163.11240	2.1
165.09093	2.1
168.09369	3.2
169.10139	2.5
170.10941	4.7
171.08063	6.1
172.08846	13.6
173.05994	1.7
173.09648	26.8
173.13286	45.3
175.07567	1.9
183.11714	10.9
185.09666	1.3
185.13310	3.1
186.10426	24.1
187.11206	100.0
188.11867	1.4
189.09193	2.6
191.07065	23.7
193.10127	1.7
196.08838	5.7
201.12773	65.6
203.14250	1.8
205.12267	9.2
211.11197	9.0
214.09920	3.5
219.13844	5.4
229.12268	68.7
247.13341	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03939	4.1
55.01855	1.2
55.05504	3.4
57.07068	1.2
65.03942	3.2
67.05508	4.4
69.03091	1.0
69.03436	14.7
69.76413	4.2
77.01472	0.9
79.05498	5.8
81.07078	8.0
83.04989	16.9
85.02934	0.9
87.43405	1.1
91.05486	14.1
93.03402	5.6
93.07055	13.3
95.04962	3.2
97.02891	5.9
102.05512	1.1
105.07042	11.6
107.04940	2.5
107.08606	12.5
109.02891	18.0
109.06528	13.3
109.10178	2.3
111.04445	6.1
115.05465	3.6
117.07028	7.4
119.07804	1.3
119.08589	15.4
121.02879	3.8
121.06520	20.1
121.10164	7.0
123.08064	1.3
128.06212	3.2
129.06978	5.6
130.07787	2.1
131.08592	16.8
132.05722	1.9
133.06519	1.2
133.10147	11.1
135.08070	25.9
137.06018	5.3
137.09564	2.4
139.03938	1.2
141.06937	1.8
142.07759	2.3
143.08585	10.2
144.09346	8.1
145.06493	9.2
145.10143	13.2
147.08058	4.1
149.09639	20.4
150.10400	4.1
151.11201	3.4
153.07028	1.7
155.08505	4.7
156.09302	1.5
157.06523	2.0
157.10126	4.6
158.07262	3.2
158.10922	13.9
159.08086	10.5
159.11716	27.8
160.08850	2.4
161.09616	3.7
163.07558	20.8
163.08771	0.7
163.11188	2.3
165.09132	2.3
168.09341	3.2
169.10126	2.0
170.10896	5.3
171.08055	6.3
171.11678	1.0
172.08853	14.0
173.05884	1.1
173.09654	28.2
173.13281	39.3
181.06467	1.4
183.11736	7.6
185.09637	1.6
185.13255	3.2
186.10411	20.7
187.07611	2.9
187.11201	100.0
189.09108	2.9
191.07056	24.6
193.10094	1.3
196.08884	5.0
199.07553	3.0
201.12766	65.8
203.14317	1.9
205.12241	8.4
208.40901	1.4
211.11186	10.0
214.09926	2.4
219.13815	5.6
229.12250	64.1
247.06032	2.5
247.13327	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.5
53.06348	1.4
55.01851	2.5
56.96569	9.0
57.03414	1.9
61.02922	4.4
67.01844	1.7
67.05483	1.5
68.99779	5.5
69.03426	12.4
70.06577	2.6
70.98123	4.1
71.04990	30.0
79.05460	2.9
81.03384	2.7
81.07050	4.3
83.04972	1.6
85.02902	5.7
86.09692	5.9
87.04467	34.6
88.03959	1.7
88.07590	2.7
91.05472	2.4
95.04996	2.2
97.02881	6.1
97.48672	1.6
98.97577	29.2
105.05510	9.2
107.04970	2.5
110.18080	1.8
111.00806	4.4
115.03924	50.4
116.98641	13.6
117.07015	3.5
119.08555	1.8
121.02869	36.3
121.03759	2.1
121.06484	1.9
124.07624	1.6
128.98586	3.4
131.08562	2.3
133.04964	59.3
134.99661	2.7
135.04379	2.0
145.02797	2.3
145.06477	3.6
153.00581	3.6
153.01830	61.9
155.04945	3.5
158.06035	5.2
158.99664	2.4
159.04445	2.1
161.05977	1.9
163.03934	8.3
163.07503	1.8
168.05391	2.4
173.05983	5.9
174.99120	2.3
177.00687	10.0
183.04420	3.2
183.06500	4.5
187.11084	2.4
195.01752	5.3
201.05478	9.0
201.07468	2.9
201.10352	3.0
201.12556	3.6
205.00264	2.3
212.09117	1.8
218.16347	1.8
229.04947	9.7
229.07079	21.8
229.12195	3.3
247.06027	100.0
247.10451	4.7
247.13316	8.1
247.17984	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	247.0605
Annotation	2,3',4,6-Tetrahydroxybenzophenone
Peak:m/z	Relative Intensity
55.01883	0.7
56.96585	0.2
57.03426	0.3
57.07063	0.2
65.03944	2.1
67.01873	1.9
67.05499	0.3
68.99790	1.3
69.03436	2.3
69.65452	1.2
71.01382	0.3
71.05015	0.4
72.08148	0.3
79.05508	0.5
80.19439	0.2
81.03419	0.4
81.07057	0.4
83.01341	0.6
83.04962	0.5
84.08139	0.4
85.02929	0.5
86.09660	0.3
87.00821	0.2
91.05494	0.5
93.03389	0.3
93.07047	0.4
95.04968	0.4
95.08591	0.3
97.02901	1.8
97.08460	0.2
98.20785	0.4
105.07039	0.9
109.02851	0.2
111.00789	0.4
111.04454	1.7
115.03970	0.3
115.81817	0.2
117.07046	0.2
118.06551	0.3
119.08596	0.6
121.02882	56.8
121.03913	2.3
123.08056	0.4
124.07615	0.8
125.02351	0.9
125.07937	1.0
131.08578	0.5
133.04958	0.3
133.06482	0.3
133.10173	0.3
135.08043	0.2
143.08592	0.4
145.06490	0.3
145.10159	0.5
146.06030	0.3
147.08086	0.4
153.01842	100.0
157.10100	0.4
159.08063	0.4
159.11708	0.4
165.09036	0.3
171.02907	1.0
172.08678	0.2
173.05960	0.2
173.09657	0.3
183.06721	0.4
185.09460	0.3
187.11140	0.5
188.07031	0.3
190.15346	0.3
199.11253	0.6
201.05421	0.3
201.09181	0.2
201.12791	0.5
203.10664	0.3
205.04968	0.3
211.11230	0.2
217.12352	0.2
229.04965	0.9
229.07187	0.7
229.12166	0.5
247.06046	55.1
247.12991	1.8
248.06284	0.3
253.17656	0.2
254.63490	0.2
267.01907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.1
56.96568	100.0
57.03422	3.2
59.49876	0.9
61.02934	5.1
69.03432	1.3
69.75768	1.7
69.76173	4.5
70.98127	72.4
71.95249	2.1
72.96035	2.1
74.97605	4.3
75.01023	1.3
84.04493	7.5
84.08102	1.3
84.96039	13.7
85.02895	2.9
86.09712	1.6
86.97598	2.5
88.99164	34.3
90.03780	6.7
91.05491	2.4
96.14335	0.9
97.02908	1.4
98.97592	64.4
100.07608	2.4
100.99147	7.1
101.00892	1.7
103.00623	1.2
107.00195	3.9
110.97596	6.7
112.95515	1.2
112.99156	1.5
115.00703	15.4
116.98629	25.4
118.01032	1.4
118.03273	5.7
119.00188	2.4
119.01910	2.5
119.04938	3.2
120.00771	1.0
124.95477	1.2
124.99143	8.2
126.97040	8.1
127.00691	2.7
128.98615	59.1
130.05013	3.6
130.93271	1.8
130.96529	2.0
131.00232	1.2
132.95869	1.1
133.01747	5.2
134.99702	5.0
140.98570	3.3
141.01277	4.1
143.00159	15.3
144.98103	33.0
145.01726	6.0
146.99664	80.4
147.03223	1.7
147.04373	9.1
148.04887	1.1
150.01831	1.2
150.96935	1.1
154.93330	1.3
156.98134	1.8
158.99673	13.3
159.03262	3.2
161.01227	8.0
161.02763	1.3
162.99168	28.1
163.02763	1.9
164.19579	1.0
165.00739	34.8
165.42146	1.1
169.01692	1.1
170.01270	1.5
170.99625	1.3
172.94318	2.4
173.01286	1.2
173.02818	1.1
174.99152	4.1
175.00691	1.9
175.02710	1.4
177.00720	9.4
177.04231	1.6
181.00275	6.1
182.99669	4.4
183.01701	1.6
184.04288	1.6
185.01242	4.1
186.99161	19.2
187.00742	2.1
187.02803	7.3
189.00734	1.3
190.95290	1.7
193.00142	1.2
196.01366	1.9
201.00702	4.9
201.02336	1.4
203.02264	7.0
205.00221	93.5
205.03850	7.5
205.51939	1.1
208.06041	1.9
211.97542	1.8
219.01624	2.2
221.03270	1.3
223.01273	64.4
223.04875	3.9
224.02046	1.1
226.06035	1.1
228.01903	1.7
235.02811	1.3
241.02299	3.3
247.01299	8.7
247.04517	4.2
247.07384	4.3
265.02356	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
58.06577	0.3
67.05496	0.5
69.07053	0.9
69.13036	0.2
69.33647	1.7
70.06596	1.0
79.05448	0.3
81.07072	1.5
82.06575	1.9
83.08614	0.4
84.08148	0.5
91.05470	1.0
93.07051	1.7
94.06559	0.5
95.08614	1.3
96.08117	0.6
98.09684	0.4
101.48475	0.2
105.07035	2.5
107.08592	2.5
108.08112	1.5
109.10145	1.4
110.09666	1.4
117.06999	0.4
119.08579	2.1
121.10148	1.4
122.09666	0.3
123.11687	0.8
131.08549	1.5
133.10117	1.9
135.11688	0.7
138.12834	0.2
145.10155	1.6
147.11678	1.8
149.13284	1.3
152.14340	1.9
157.10185	0.2
159.11696	1.3
162.12790	0.3
164.14304	0.3
173.13248	1.4
187.14792	0.7
188.14362	0.6
189.16382	1.1
190.15840	0.3
202.15964	0.4
203.16707	0.8
204.17470	1.0
217.29959	0.2
218.19019	0.4
229.19504	1.0
246.22168	100.0
247.22493	0.7
263.03915	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	246.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.3
55.93276	0.4
57.07074	1.2
58.06604	0.9
62.83695	0.4
67.05517	2.4
69.07073	4.4
70.06596	2.3
72.08154	3.2
76.04078	0.4
79.05492	1.3
81.07055	7.6
83.08599	1.8
84.08156	2.6
91.05465	1.1
93.07056	4.6
95.08610	8.9
96.08141	4.0
97.10153	0.6
98.09692	1.8
98.21625	0.9
105.07053	3.3
107.08596	6.1
108.08147	2.8
108.08826	0.7
108.26984	0.5
109.10158	7.2
110.09679	2.2
119.08588	5.2
121.10152	5.4
122.09660	1.1
123.11728	4.1
131.08559	0.7
133.10127	4.6
135.11716	4.4
137.13260	0.8
138.12782	0.6
138.86874	0.4
145.10097	1.3
147.11642	2.9
148.11191	0.7
149.13252	7.0
150.12753	0.9
159.11717	0.9
161.13251	1.0
162.12747	0.7
163.14841	1.1
164.14395	0.5
173.13246	1.0
178.15907	0.9
186.31328	0.4
187.14873	1.1
189.16367	9.3
190.15942	0.7
191.53214	0.4
204.17331	0.5
205.19504	5.2
229.19522	1.3
229.31406	0.5
236.38980	0.4
246.22177	100.0
247.22546	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0432
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	2.9
58.99580	5.6
64.65804	0.7
68.05023	1.6
70.06587	0.9
70.86702	1.8
71.89216	0.7
79.05470	1.1
81.07052	1.7
82.06567	1.4
84.04535	1.7
84.08141	2.2
86.99038	2.5
94.06561	1.5
95.04993	1.1
96.08132	2.0
98.00653	1.0
98.06037	0.9
105.00097	3.1
107.04974	1.0
121.06438	0.9
124.07595	10.7
126.03751	75.7
126.05519	4.6
129.99599	1.2
130.06511	1.0
138.05513	1.1
147.04401	0.8
153.01926	0.8
154.03226	20.2
158.97287	0.7
172.04272	14.7
182.06371	1.5
200.03777	100.0
212.46854	0.7
225.46069	0.8
228.06862	1.7
228.10239	1.2
228.12309	0.9
241.00266	0.9
246.04414	7.9
246.08086	1.1
246.11467	1.1
246.24277	1.6
247.06093	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.0
55.05501	1.4
56.96579	1.1
57.07079	1.2
58.23202	0.9
67.05491	1.5
69.07033	2.0
71.53860	1.2
72.93768	1.5
81.07034	1.9
84.04498	1.2
85.02908	2.0
85.06511	1.1
85.10178	1.7
87.04420	1.1
87.08091	4.6
95.77939	1.4
97.02894	1.2
102.05518	1.3
105.07000	1.8
107.04913	1.5
107.08579	1.3
115.05505	1.3
117.45188	1.1
123.62915	0.9
128.06213	2.9
129.07011	29.9
130.06523	14.2
131.08525	1.1
133.10104	1.4
134.04503	1.2
142.06483	1.5
144.08099	1.1
154.06516	25.9
155.07240	5.8
156.08095	74.1
158.05992	9.1
160.09610	1.5
166.06509	9.8
167.07233	1.2
168.27910	1.0
170.06041	2.2
172.07524	6.1
174.05518	12.0
181.05200	4.1
182.05977	13.2
183.06802	12.5
184.07581	69.9
194.07222	1.4
194.85710	1.1
200.07069	21.4
210.03555	2.2
210.05499	39.7
211.13211	1.2
228.06560	100.0
246.07614	43.3
246.11420	2.9
246.14992	1.5
246.18582	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.19
Annotation	Falcarinol
Peak:m/z	Relative Intensity
55.05509	1.9
57.07076	0.8
62.68657	0.3
65.03931	0.4
67.05504	4.0
69.07068	1.9
71.07995	0.5
76.69895	0.3
77.03931	0.3
79.05495	5.0
81.07052	5.8
83.08621	1.2
91.05484	4.4
93.07047	9.5
93.07634	0.5
95.04973	12.7
95.08605	5.3
95.31194	0.3
97.06548	0.5
97.10189	0.7
105.07030	4.6
107.08595	5.8
109.06519	100.0
109.10150	2.5
110.06893	0.3
111.08063	1.9
111.58753	0.3
117.07027	0.8
119.08584	5.4
121.06485	0.4
121.10149	6.6
123.08064	1.1
123.11715	1.3
128.06219	0.4
129.07030	0.7
131.08575	3.5
133.10144	4.7
135.08093	0.4
135.11688	3.4
137.09642	0.4
137.13246	0.7
143.08562	1.2
145.10123	3.9
147.08052	0.7
147.11693	3.7
149.09602	0.7
149.13266	2.9
157.10153	1.7
159.11713	2.6
161.09688	1.3
161.13278	3.7
163.11163	0.7
163.14780	0.9
171.11646	1.7
173.13216	0.9
175.11211	0.7
175.14868	2.1
185.13237	1.3
187.14830	4.8
189.12720	0.7
189.16386	0.6
199.14862	0.5
201.16373	1.1
202.17107	0.4
203.14386	0.4
203.18021	2.0
217.19489	1.2
227.18015	2.5
245.19017	63.2
245.22658	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	245.1538
Annotation	Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Peak:m/z	Relative Intensity
51.02392	0.3
52.84883	0.3
53.03936	0.5
55.00254	0.3
55.01870	1.2
55.05273	0.5
55.05516	7.2
57.03413	0.6
57.07069	1.2
59.05013	0.4
60.67089	0.3
63.41229	0.3
65.03957	0.9
67.05511	5.6
69.03419	1.4
69.07074	4.8
69.34605	0.3
71.04993	2.7
71.30451	0.6
79.05495	7.3
80.99787	0.3
81.07057	10.2
83.04993	3.4
83.08616	1.4
85.02908	0.4
91.05484	9.5
92.54248	0.3
93.07050	14.2
95.04973	10.8
95.08612	7.7
97.06557	2.3
97.10159	1.2
99.04515	1.8
99.05055	0.3
103.05470	0.5
105.03416	0.4
105.07035	19.8
107.04952	0.6
107.07871	0.7
107.08601	12.5
109.06522	99.9
109.10154	4.3
110.86626	0.3
111.08091	2.7
115.05454	1.9
116.06253	0.4
117.07027	5.7
119.04956	0.5
119.08592	12.3
121.06490	3.9
121.10156	6.0
123.08079	2.8
123.11706	1.8
125.09648	1.2
128.06233	4.6
129.07016	8.9
129.07932	0.7
130.07796	1.4
131.08571	13.3
133.06497	1.3
133.10127	6.5
135.08087	2.8
135.11728	2.9
137.06012	0.7
137.09616	1.0
137.13249	1.0
141.06998	2.4
142.07779	6.3
143.08569	26.9
144.09367	2.0
145.06453	1.1
145.10130	24.8
147.08047	3.5
147.11697	6.1
149.05956	0.4
149.09601	1.7
149.13278	3.4
151.07541	0.8
153.06995	1.1
153.09149	0.6
154.07739	1.6
155.06078	0.4
155.08572	4.4
156.09372	4.2
157.06526	1.9
157.10136	22.0
158.10883	0.8
159.08084	2.7
159.11690	6.7
161.09662	2.7
161.13281	2.6
163.11241	0.9
163.14880	0.8
165.06966	1.7
166.07806	0.9
167.08598	3.8
168.09312	1.2
169.10139	7.1
170.10867	2.2
171.08054	5.5
171.11700	12.3
172.08839	0.7
173.09641	3.4
173.13226	2.9
175.07515	0.5
175.11195	1.9
175.14830	2.0
177.09138	0.7
179.08580	5.5
180.09393	1.2
181.10117	3.5
182.10947	2.7
183.08002	0.6
183.11748	2.6
184.12498	1.8
185.09628	5.8
185.13258	8.4
186.10347	0.5
187.11214	2.6
187.14821	4.1
189.09155	2.0
189.11073	0.4
189.12770	1.5
189.16406	1.3
193.10196	0.6
194.10913	5.8
196.12402	0.5
197.09657	2.8
197.13266	8.0
198.10400	1.0
199.11165	2.3
199.14828	26.6
201.12791	1.2
201.16377	1.4
203.10709	0.8
203.14212	1.6
203.17990	1.3
209.13255	9.9
212.11964	4.7
214.13548	1.0
215.14359	4.0
217.12325	0.5
217.15886	3.8
217.19507	0.8
227.14326	18.1
227.17690	2.3
230.13097	0.6
245.15417	100.0
245.19052	47.6
245.22481	4.3
246.15747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01864	0.6
55.05506	1.1
55.93526	0.5
56.96570	6.3
57.03434	0.6
61.02933	0.6
67.05501	0.9
68.05038	0.4
69.03415	2.0
69.07063	0.5
70.02938	0.5
70.06586	0.6
70.98096	0.5
71.04978	0.9
71.52425	0.5
71.52879	0.5
72.08145	0.5
72.93778	2.0
72.96446	0.4
73.02892	0.7
76.02213	1.0
79.05495	4.7
80.05016	0.5
81.03431	0.7
81.05809	2.7
81.07067	4.2
83.04977	0.6
83.08620	0.6
84.04504	4.4
84.08132	1.5
85.02916	2.7
86.06062	0.8
86.09724	0.8
87.04475	0.8
89.03911	1.3
90.94839	2.0
91.05457	0.6
94.06565	1.8
95.04968	0.8
96.04494	1.0
96.08141	15.9
97.02890	2.0
97.06508	1.2
98.06877	0.5
98.97591	5.6
99.04436	0.6
101.06029	0.5
103.21539	0.4
105.07027	0.4
106.06599	2.4
107.04944	1.2
109.02874	0.6
109.93691	0.4
110.09657	0.7
110.97562	0.8
111.04449	0.5
113.03512	0.6
114.05551	1.0
115.03940	0.5
116.07089	0.5
116.98634	2.4
117.03368	2.0
117.06969	0.4
119.01944	1.0
119.04917	0.5
121.02845	0.9
122.02729	1.2
123.04453	0.9
124.07601	100.0
124.99130	2.7
127.03907	2.2
128.98642	1.0
130.05014	5.6
131.00151	0.6
134.99721	0.6
137.05919	0.6
138.09154	0.6
139.03972	0.8
142.03268	1.0
142.05034	1.2
143.00160	5.4
145.02843	3.2
147.04451	0.6
148.97417	0.6
149.01199	0.5
149.05957	0.7
149.96144	2.5
153.01834	0.9
156.04781	11.8
156.10284	0.5
158.99699	1.1
161.01234	2.3
167.97217	1.8
172.97765	2.0
173.02950	0.6
175.07610	0.5
177.05502	7.1
182.11807	2.0
182.99706	1.5
184.09779	1.9
185.01263	1.5
185.05936	0.5
187.04442	0.6
189.00734	0.9
190.98790	1.1
199.04021	1.4
199.09030	8.1
199.10762	0.7
201.00766	1.3
201.12343	2.9
202.10742	1.3
203.02271	1.6
203.03958	0.6
205.00218	0.6
219.01811	0.9
225.07141	0.7
228.06970	1.2
228.12383	1.4
237.02776	0.6
245.04736	2.2
245.09668	14.3
245.14902	2.2
245.18863	0.9
263.04340	0.7
267.03925	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	245.006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68533	17.3
56.96558	50.0
69.43884	100.0
98.97591	80.3
100.07626	37.5
101.00881	69.7
113.00881	31.4
116.98634	29.2
119.01925	78.5
124.95455	30.3
127.02382	22.2
131.01970	20.0
143.01894	27.7
145.03537	26.0
155.01897	47.2
157.03450	26.2
161.02969	19.8
167.01927	40.4
170.96095	23.4
173.02982	19.1
185.02934	86.0
188.97128	26.1
197.02997	26.2
216.92293	20.3
227.04155	22.8
245.05095	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2061
Annotation	Phencyclidine
Peak:m/z	Relative Intensity
55.05503	1.0
56.04995	0.2
57.07083	0.4
58.06589	1.0
67.05508	1.4
67.67776	0.2
67.68204	0.3
69.07072	1.9
69.29627	0.3
69.30035	1.8
79.05494	3.0
81.07064	4.3
83.08621	0.4
91.05485	2.8
93.07050	2.0
94.06576	2.1
95.08627	1.8
105.07040	5.4
107.08611	1.8
108.08124	2.3
109.10130	1.2
110.09756	0.3
117.06998	0.9
119.08588	3.9
120.08090	0.7
121.10144	0.9
122.09634	0.3
123.11741	0.5
128.06210	0.5
129.06982	0.8
131.08577	5.3
132.08116	0.3
132.09306	0.2
133.10100	1.0
134.09714	0.6
135.11757	0.3
143.08578	1.5
145.10135	2.2
146.09637	0.6
147.11682	2.6
157.10132	1.0
158.09636	0.2
159.10446	0.3
159.11627	0.4
160.11240	1.4
161.13210	0.5
171.11705	1.1
174.12729	0.4
185.13274	0.4
186.12738	1.6
187.14868	1.3
200.14349	0.4
201.15129	0.4
203.17847	0.5
227.17941	1.3
228.17439	0.3
229.18263	0.4
244.20618	100.0
245.20897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04560	1.7
55.05512	5.1
59.07202	1.8
59.43090	1.8
67.05500	7.0
69.07056	3.3
69.61843	1.8
71.53395	2.2
78.06947	2.0
79.05515	3.0
81.07050	12.4
83.08596	2.2
89.91525	1.7
91.05472	6.5
93.07066	4.0
94.97135	1.7
95.08614	28.8
97.10117	1.8
105.07036	18.0
107.08575	12.2
109.10167	26.5
118.04898	1.6
119.08592	46.2
121.10147	7.9
123.11707	4.4
131.08562	2.6
133.10126	22.5
135.11615	2.5
147.11705	29.1
155.57877	1.6
161.13269	9.0
164.36632	1.8
175.14851	5.2
203.17969	100.0
226.18115	2.3
227.18045	1.8
244.20598	33.5
244.45505	1.6
255.73965	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	244.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.05505	1.7
55.95171	0.4
57.07076	0.8
58.06581	0.6
61.69154	0.4
62.06086	0.5
65.03909	0.5
67.05505	4.8
69.07074	2.7
71.53638	0.5
79.05145	0.3
79.05507	3.3
81.07063	8.0
81.34895	0.4
83.08611	1.1
84.08150	0.6
87.04456	0.4
91.05476	3.3
93.07043	6.1
94.06577	0.5
94.52979	0.4
95.08612	10.2
96.08134	2.9
97.10183	0.5
105.07038	9.5
107.07320	1.7
107.08592	7.7
108.08137	3.9
109.06499	0.9
109.09473	0.7
109.10162	8.4
110.09697	0.7
117.06989	1.1
119.07803	0.7
119.08582	7.7
120.08102	0.6
121.10155	3.7
122.09672	1.1
123.11687	0.9
128.06180	0.4
131.08572	4.2
133.10136	4.8
134.09653	0.7
135.11702	1.7
136.11221	0.8
142.07869	0.4
143.08528	1.8
144.09300	0.4
145.10126	6.6
146.09645	0.5
147.11688	7.3
148.11195	1.8
149.13272	0.6
156.09377	1.6
157.10136	4.4
159.11723	2.8
160.11140	0.6
161.13268	2.8
171.11687	12.0
173.13275	0.8
174.12787	0.5
175.14838	0.8
176.14345	0.5
185.13219	1.6
187.14828	7.3
202.15913	0.6
203.17973	9.1
214.15919	0.4
226.18173	0.5
227.17961	8.0
229.18320	0.4
229.33975	0.5
244.20619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01878	3.4
55.05514	43.0
57.49571	0.5
69.07069	14.6
69.54803	3.0
70.02953	2.9
74.02443	23.8
80.95441	0.5
83.08621	56.8
86.09678	0.6
88.03995	43.7
93.07052	0.8
100.11259	1.3
101.21830	0.5
102.05532	1.6
111.08086	14.9
111.18697	0.5
116.03461	20.8
128.10698	1.6
129.09108	0.7
134.04494	100.0
148.06033	1.9
154.12280	0.8
168.83325	0.5
180.10236	6.0
198.11261	4.8
226.10754	7.1
232.35034	0.6
244.06717	1.9
244.11816	73.3
246.97075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08711	0.5
56.96569	14.1
57.03432	3.1
60.95848	0.8
61.02929	14.5
63.04095	0.5
67.04222	0.7
69.03433	0.8
69.87486	2.0
69.87912	1.1
70.98130	2.7
71.95264	2.4
72.08143	1.0
73.02926	1.6
75.01060	0.7
82.06583	33.7
84.08144	1.7
84.96047	1.6
85.02905	4.1
88.99109	1.2
89.00764	0.8
91.02332	0.7
97.02893	1.2
97.96849	0.6
98.97589	48.2
99.04498	0.6
100.07622	100.0
101.00881	1.9
103.00605	0.8
103.25685	0.6
106.01002	0.7
110.01298	2.0
110.97610	0.8
112.00721	1.1
112.05112	2.4
112.99158	0.7
113.00849	0.7
113.02377	1.4
116.97368	0.7
116.98631	17.1
118.01046	1.6
119.01861	2.7
120.02012	0.6
121.01660	0.9
123.00226	0.8
124.95521	3.5
126.02448	0.6
127.03944	1.3
127.05517	0.5
128.02327	0.5
128.07053	0.5
128.98611	1.5
131.00137	1.1
131.01892	0.9
132.00758	1.5
133.01704	1.0
134.99648	2.8
135.03282	0.6
138.02376	0.8
141.01280	5.6
141.03082	2.3
142.96539	1.6
143.00182	0.8
143.01796	0.7
144.00771	0.6
145.01749	0.5
145.05061	0.7
145.60052	0.5
146.99681	1.3
147.03091	1.1
149.01184	0.7
150.01801	10.4
152.94971	1.3
156.01836	0.6
156.03571	1.5
156.98077	1.4
158.99602	2.0
159.02347	0.8
161.01099	0.7
161.02972	0.9
163.04437	0.7
166.00214	0.8
170.96039	3.0
172.97641	0.9
173.01131	0.7
173.02924	0.9
174.01801	1.0
174.99138	2.3
175.00804	2.5
177.00632	0.8
178.04898	0.6
180.03328	0.8
182.01543	1.3
183.02202	0.6
184.01328	1.7
184.02882	0.5
184.04605	0.8
184.97638	1.6
188.97105	6.4
189.00656	1.9
191.02168	2.1
191.03909	1.0
193.00159	1.1
196.01320	1.8
198.00708	1.1
198.02821	0.7
198.04486	2.9
201.00688	0.9
202.03883	1.2
202.98671	2.1
203.02260	1.4
205.00183	1.2
205.01834	4.6
205.03574	1.4
206.98138	1.2
211.98647	0.8
214.02377	0.7
214.05598	1.1
214.98645	0.6
216.05585	0.7
219.01711	1.4
220.04980	0.9
220.99678	2.0
221.03337	1.6
221.05209	0.8
223.09215	0.5
226.02310	2.4
226.04135	0.9
232.06691	0.8
235.02884	1.7
239.00885	0.6
244.04935	53.6
251.04439	0.7
262.05997	31.6
263.00836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1744
Annotation	Dehydrofalcarinol
Peak:m/z	Relative Intensity
51.29963	0.3
52.67505	0.3
53.03941	0.4
55.05503	2.3
57.03445	0.4
57.07076	10.4
57.12548	0.2
65.03945	0.3
66.67432	0.3
67.05511	2.5
69.03431	0.6
69.07067	2.3
70.10741	0.2
70.19514	0.8
71.05006	0.3
71.08600	0.3
72.62947	0.2
73.03073	0.3
74.62473	0.2
77.03900	0.4
79.05484	2.4
81.07064	4.4
82.41379	0.3
83.04995	0.3
83.08615	0.5
85.06557	0.3
91.04971	0.4
91.05486	4.2
93.04751	0.2
93.07050	5.2
95.04975	0.8
95.08607	5.3
97.06538	0.5
99.89051	0.2
103.05463	0.3
105.07034	10.1
107.04973	0.6
107.08598	3.0
109.06525	1.5
109.10175	1.4
115.05478	0.9
117.07015	4.8
119.08584	11.6
121.06514	3.2
121.10139	3.3
123.08064	0.9
123.11681	0.5
128.06200	1.9
129.06985	3.6
130.07802	3.1
131.08583	7.9
131.93698	0.3
133.06500	0.3
133.10139	6.4
135.08080	1.4
135.11723	1.3
141.06969	1.5
142.07767	2.2
143.07495	0.6
143.08566	7.8
144.09357	5.9
144.10419	0.2
145.06529	1.9
145.10126	79.4
146.07217	0.4
146.10478	0.8
147.08014	1.3
147.11693	5.9
147.12805	0.4
149.09616	1.1
153.07005	0.7
154.07774	1.8
155.08517	2.2
156.09346	2.1
157.10147	7.5
158.07280	1.2
158.10927	3.9
159.08083	7.1
159.11696	63.3
160.08817	0.4
160.12080	0.5
161.09627	3.4
167.08507	0.4
168.09349	2.4
169.10124	6.7
170.10899	1.1
171.08061	0.7
171.11694	9.8
172.08818	1.8
172.12364	0.9
173.09639	4.9
173.13281	13.2
174.10283	0.4
175.11197	1.0
181.10196	1.8
182.10910	1.4
183.11710	6.5
184.12460	0.7
185.09628	1.2
185.13286	5.4
186.10382	1.0
186.13963	0.8
187.11188	29.7
195.11746	1.5
196.12503	2.4
197.13246	2.3
197.40671	0.3
199.11185	1.3
199.14833	3.6
200.11961	0.7
200.15596	2.1
201.12758	20.0
201.16388	39.2
202.16707	0.3
210.14047	1.4
213.12708	0.5
214.13554	0.9
215.14330	1.8
215.17958	4.4
225.16411	6.8
228.15086	0.4
243.17455	100.0
243.28764	0.9
244.17784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03567	1.6
52.53619	1.7
53.03944	2.0
55.01861	7.7
55.05515	12.9
56.98245	1.6
57.03413	3.5
57.07073	3.5
62.59439	1.7
67.05510	29.8
69.07063	14.8
70.58629	3.7
71.04990	4.5
75.02179	1.8
77.42133	1.8
79.05491	16.8
79.64910	1.6
81.07059	91.1
83.04965	7.5
83.08617	5.1
85.06537	5.4
91.05489	25.9
93.07056	11.3
95.04974	4.3
95.08607	20.8
97.06522	10.3
97.62812	1.8
98.20889	2.3
99.08080	4.6
101.06047	1.7
105.06405	2.4
105.07039	34.1
107.08607	14.9
109.03101	1.9
109.06526	9.6
111.04468	1.9
114.95631	2.4
119.08589	27.9
121.10144	21.8
123.08083	4.4
123.11711	27.7
127.07584	1.9
129.06987	3.0
131.08527	2.9
133.10068	2.7
135.61285	1.7
137.13242	6.5
141.12503	1.7
145.10014	2.5
147.11693	100.0
157.10139	5.3
165.12756	76.2
175.11145	7.8
193.12268	17.7
197.15369	15.4
201.12689	1.9
211.09660	2.3
225.14897	3.1
229.14423	9.9
243.13777	2.7
243.21419	3.3
243.28743	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	243.1018
Annotation	Pholidotol D
Peak:m/z	Relative Intensity
53.03938	1.6
55.01870	2.5
55.05501	1.3
56.96558	1.6
60.39305	0.4
60.71749	0.4
63.95498	0.4
65.03930	1.0
67.05511	2.0
68.99784	0.7
69.03430	1.6
69.07060	1.6
71.05008	0.6
71.53644	0.6
73.02926	0.4
77.03936	0.4
79.05499	3.3
81.03426	0.6
81.07056	6.1
83.08615	0.7
84.96053	0.5
85.02908	1.9
85.06553	0.6
91.05486	29.8
93.07053	2.9
95.04978	3.7
95.08610	2.3
97.02885	2.2
97.06534	0.6
98.97591	6.6
99.04441	1.0
103.05482	1.9
105.06308	0.6
105.07036	11.0
105.07709	0.4
107.04960	20.5
107.08585	1.6
109.06527	1.2
109.10155	1.8
110.03686	0.7
115.05451	0.7
116.98635	2.3
117.07040	0.6
119.04947	16.9
119.08600	0.7
120.05746	3.7
120.08173	0.5
121.02869	2.4
121.06510	35.9
121.10105	0.6
123.04430	9.7
123.08046	0.5
123.11736	0.9
124.05225	1.7
125.06014	3.0
128.06258	0.5
131.04958	0.7
131.08563	0.7
133.06496	17.3
133.10124	0.6
134.03676	1.1
134.07291	0.9
135.04422	8.7
137.05991	4.5
137.09596	0.6
137.13374	0.4
141.07007	1.8
144.05760	0.6
145.06506	2.8
145.10103	0.9
147.08035	3.0
149.05992	20.8
150.06789	4.4
151.03963	0.6
153.06993	2.8
154.07761	1.6
155.08600	2.6
157.06499	1.9
157.10144	0.8
158.07271	0.5
158.99672	1.7
159.08066	2.6
159.11726	0.4
161.05939	0.7
165.07010	13.3
166.07755	0.9
167.08588	1.2
168.05817	0.6
169.06503	1.0
169.10162	0.6
171.04404	0.6
171.08110	0.6
172.08832	0.9
173.06021	0.6
177.00749	1.2
179.08606	1.3
181.06471	3.3
182.07301	5.4
183.08067	7.0
186.07246	1.2
187.07625	0.6
190.38702	0.4
193.06506	1.4
194.07326	1.8
195.07823	3.8
197.05956	0.6
197.09608	4.2
199.07608	1.7
200.08411	1.2
201.09137	1.3
206.58621	0.8
207.08109	0.8
209.06058	0.8
210.06746	6.9
211.07544	5.3
212.08353	3.7
213.05376	1.1
215.10704	1.4
222.05450	1.6
222.55647	1.0
225.09148	4.3
227.07074	1.7
228.07782	5.8
231.01869	0.6
231.05852	0.5
237.02864	0.5
243.10207	100.0
243.21263	1.5
244.10451	0.9
263.60132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0865
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03941	3.6
55.01874	3.3
55.05503	1.7
56.96560	1.6
57.03438	1.3
57.07069	1.3
60.59522	1.2
61.02933	9.6
65.03943	7.2
67.05515	6.2
69.03426	3.2
69.07057	1.5
69.54305	1.1
70.06631	1.2
71.04994	1.0
71.12305	1.9
76.48122	1.1
77.03939	2.1
79.05527	5.2
81.03422	1.3
81.07059	5.0
82.04198	1.9
83.05009	1.3
85.02911	4.7
91.05487	17.6
93.03409	2.4
93.07025	1.8
94.04195	1.8
95.01334	3.7
95.04977	14.4
97.02890	2.2
97.06541	3.1
98.97578	3.7
99.08124	1.2
105.03373	3.2
105.04534	1.9
105.07037	2.4
107.04954	8.8
107.08631	1.6
107.99052	1.2
108.02096	1.5
109.06522	13.6
110.03673	3.5
111.04454	2.6
117.07037	1.9
119.04942	7.0
119.08581	2.1
121.02898	1.1
121.06512	1.2
121.10178	1.3
122.03634	1.6
123.04430	16.2
125.02385	5.3
125.05991	3.1
131.04959	1.8
133.02864	12.6
133.10117	1.5
135.04398	4.1
137.05988	20.6
138.03130	1.9
140.04692	94.8
141.07019	2.3
142.02614	2.7
145.06529	6.2
146.03664	1.4
147.04419	9.7
152.04680	2.1
153.05499	3.4
155.07037	100.0
158.99731	1.5
161.09659	1.9
163.03935	4.8
164.04689	1.3
165.05478	20.0
167.07117	2.3
169.05130	1.3
169.06451	2.4
171.06581	1.7
173.06000	4.2
173.08115	5.6
179.07051	10.7
180.04166	16.7
181.04967	72.5
183.06567	3.4
184.03708	1.1
184.05263	3.9
187.07668	1.7
193.04976	27.9
195.06532	11.8
197.05995	16.0
197.08080	9.6
201.05463	3.5
207.06537	26.6
207.10049	1.7
215.06978	7.9
225.05576	1.0
225.07573	24.7
225.09557	1.9
225.11157	1.5
231.05142	3.4
231.55388	2.1
243.06482	9.2
243.08679	19.7
243.21346	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2165
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
51.90369	0.8
53.03960	0.8
55.05281	0.8
55.05519	14.7
57.03425	2.3
57.07084	4.2
58.36251	0.8
67.05184	1.2
67.05516	16.7
69.03427	1.0
69.07078	19.5
71.05007	7.6
71.08638	1.3
71.10750	1.4
79.05495	5.1
81.07069	40.0
83.08631	13.4
85.06556	100.0
90.13571	0.9
91.05490	1.6
92.34708	0.9
93.02438	1.0
93.07059	16.6
95.08621	63.8
97.06544	1.9
97.10191	9.6
99.07497	1.7
99.08107	22.0
103.07585	2.3
105.07041	2.3
107.08609	15.7
109.10172	46.3
111.08097	1.9
111.11733	2.2
113.09657	5.9
121.10162	14.9
123.11727	46.1
125.09672	2.0
127.11204	3.6
131.08562	0.9
135.11708	11.3
137.13254	3.9
139.11177	1.9
141.12775	2.0
149.09593	0.8
149.12212	1.2
149.13298	15.1
153.12752	2.7
163.14839	4.7
165.16438	2.0
167.10721	0.9
167.14339	1.6
179.17966	2.6
205.19531	15.8
223.20601	14.5
241.08539	1.5
241.12505	4.7
241.21658	48.5
247.60747	0.9
251.09682	0.9
253.23592	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2164
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
55.05515	18.8
57.00894	1.4
57.03440	3.3
57.07073	5.9
59.05004	2.1
63.08372	1.3
67.05183	1.8
67.05517	23.3
69.03434	1.4
69.07079	24.3
70.97881	2.6
71.04998	9.7
78.57099	1.2
79.05516	7.9
81.07068	48.5
83.08622	19.4
85.06552	100.0
91.05489	4.2
91.30802	1.3
92.76854	1.5
93.07056	16.8
93.34428	1.4
95.08614	75.8
97.06544	4.5
97.10183	17.7
99.08104	23.5
105.07034	2.9
107.08612	21.2
109.10167	54.4
111.08087	3.8
111.11738	4.5
113.09657	14.9
119.08618	1.6
121.10161	19.9
121.27644	1.3
123.11721	52.0
125.09634	4.7
125.94906	1.4
127.11203	5.2
135.11708	17.1
137.13251	5.3
138.53302	1.2
139.11183	2.6
141.12764	2.4
149.13272	21.5
151.14725	1.7
153.12715	1.6
163.14824	5.5
165.16348	3.1
167.14349	4.6
177.16385	3.3
179.17947	5.3
181.06567	3.7
202.03519	1.5
205.19539	33.2
210.06703	1.4
223.20583	16.7
241.08659	6.2
241.14316	1.6
241.19806	2.2
241.21674	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	241.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	17.9
57.03453	1.9
58.06604	12.7
61.02916	3.5
63.76478	1.1
70.04341	4.2
70.16083	1.2
70.98132	2.9
70.99825	1.0
71.95235	1.1
73.02904	2.7
75.99503	1.0
84.08146	6.8
84.68271	1.2
85.02891	2.3
98.97594	76.0
110.97595	2.0
116.98637	23.9
117.01921	1.6
127.03941	1.3
128.10703	4.1
134.99664	4.3
136.06151	1.3
140.00227	6.2
145.03479	1.4
150.01878	1.3
155.00200	2.7
155.04681	1.5
156.00508	3.3
158.01262	4.5
158.99669	3.9
172.97600	1.8
173.01233	1.8
174.01540	2.5
177.00726	9.9
181.00787	1.4
190.01303	4.5
190.98570	2.3
192.02567	1.9
195.01799	3.4
196.09705	3.2
196.87766	1.3
198.99142	1.6
217.00247	2.1
218.02184	1.6
219.01651	1.4
235.01254	1.7
236.01564	2.9
241.11385	4.4
241.15497	100.0
242.09442	1.1
258.99826	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	240.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44829	0.2
54.12782	0.2
55.05491	0.9
56.96581	0.3
57.07070	0.6
59.04996	0.3
61.37514	0.2
67.05486	0.8
69.03387	0.3
69.07059	0.8
69.67021	0.4
69.67424	1.0
70.06604	0.4
72.04506	0.9
74.06073	0.6
79.05479	0.7
79.65251	0.3
81.03421	0.3
81.07057	1.7
82.06570	0.4
82.07375	0.3
83.04966	0.7
83.08629	0.4
85.06512	0.5
91.05468	0.7
93.07047	1.4
94.06545	0.8
95.04964	0.3
95.08626	1.8
96.08121	0.5
97.06499	0.4
98.09679	0.6
98.20763	0.3
98.97590	0.3
100.07611	0.4
107.08581	1.0
108.05590	0.4
108.08096	0.9
108.08814	0.3
109.06400	0.6
109.10181	0.5
111.04443	0.6
112.07642	0.4
113.40198	0.3
114.09190	0.3
119.08612	0.3
122.09678	0.8
123.08105	0.3
123.10474	0.5
123.11682	0.3
124.07597	3.3
124.08406	0.4
124.12031	0.3
126.09132	0.6
128.10716	0.4
136.11234	1.8
137.13223	0.4
138.09146	1.1
139.09944	0.7
140.10703	0.7
142.12288	1.3
150.12779	1.4
152.10696	1.2
152.14249	0.3
153.11502	0.5
154.12285	1.4
166.12254	3.6
167.13089	2.1
168.13831	1.0
170.95236	0.3
194.15356	2.0
196.16978	100.0
197.17351	0.4
198.18587	1.4
225.06412	0.7
240.06664	0.5
240.08871	2.3
240.12144	0.8
240.19598	60.6
241.19911	0.4
257.85916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.9
56.05030	0.4
59.79134	0.3
63.54202	0.3
64.92976	0.3
67.05476	1.1
69.07052	0.5
70.06570	0.4
71.53960	0.4
72.04504	1.1
74.06053	0.4
75.35685	0.3
79.05470	0.5
81.07056	1.6
83.08604	0.4
90.54662	0.3
93.07029	1.3
94.06543	0.7
95.08602	1.9
96.08105	0.4
97.02872	0.4
98.09756	0.3
99.08109	0.3
105.06976	0.3
107.08566	0.9
108.08134	0.7
110.09652	0.5
112.07578	0.9
114.09196	0.4
122.09679	1.1
122.62894	0.3
123.10490	0.4
124.07590	4.2
125.34948	0.3
128.10690	0.4
133.10088	0.4
135.11676	0.9
136.11218	1.8
138.09134	1.0
139.09909	0.9
140.10690	0.6
142.12260	1.0
147.13541	0.3
150.12778	1.3
151.13541	0.9
152.10707	1.7
152.14397	0.3
153.11432	0.7
154.12210	1.5
166.12262	3.5
167.13075	1.8
168.13809	1.2
178.15860	0.4
194.15384	2.5
196.16966	100.0
197.17320	0.5
198.18501	1.3
240.19585	69.0
241.09547	0.4
241.19884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71035	0.9
56.96570	100.0
57.23831	0.8
69.03400	0.7
70.05296	2.5
70.98125	1.3
71.95280	2.0
97.96765	0.7
98.97601	4.0
101.00834	1.7
109.32954	0.8
119.01939	1.4
119.03558	0.9
124.99119	6.8
127.00693	6.0
129.55243	0.7
133.03447	0.8
136.06184	14.1
136.99120	17.3
140.99603	0.9
143.00183	9.5
145.01717	3.7
145.03444	1.5
155.00169	54.0
161.01234	4.6
170.99654	2.9
173.01237	54.1
175.01007	0.9
189.00764	5.1
191.02284	30.7
196.02859	1.0
197.69266	0.8
198.99188	2.2
203.00542	1.1
207.01756	2.6
209.03348	9.9
214.03908	1.0
217.00214	29.2
217.01968	2.0
235.01270	41.0
235.03616	2.0
240.10925	15.9
253.02330	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	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.01860	5.2
55.05516	33.4
57.07076	26.0
59.05008	18.3
61.61849	4.0
62.40092	3.7
67.05511	34.4
69.03446	3.6
69.07076	49.4
70.83985	4.5
70.84317	6.7
71.04988	16.9
71.08643	5.0
72.80345	3.5
79.03177	3.4
79.05490	21.8
81.07061	91.8
83.04962	7.2
83.08625	24.1
85.06563	18.9
85.39012	4.1
87.29087	3.5
89.06033	9.9
91.05495	19.8
93.07053	38.9
95.04953	6.1
95.08615	100.0
97.02903	13.4
97.06544	13.8
97.10152	13.0
98.97565	5.7
99.08103	7.7
105.07034	28.3
107.08603	46.3
109.06556	6.0
109.10159	55.8
111.08085	10.4
111.11710	15.2
113.09680	6.2
115.07581	6.1
119.08577	41.7
121.06485	4.8
121.10163	42.2
123.08060	7.8
123.11707	45.7
125.09645	14.8
127.11188	4.2
131.08618	5.3
133.10144	38.7
135.08005	3.7
135.11681	43.2
137.09631	5.4
137.13260	67.4
139.11200	20.0
143.10655	8.0
147.11707	41.7
149.13275	21.8
151.11154	11.3
151.14832	3.7
153.01796	4.7
156.05293	4.0
157.12143	4.7
161.13240	18.5
163.14854	33.7
165.12697	6.7
175.14801	9.4
177.16443	7.5
193.19498	7.5
197.03021	3.5
203.17967	77.6
207.06830	14.8
221.11613	4.7
221.15489	8.1
221.19016	73.2
239.06927	4.4
239.08936	32.0
239.17969	3.5
239.20058	41.2
251.83414	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	239.2008
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03954	3.9
55.01871	4.4
55.05523	14.5
57.03434	4.0
57.07087	11.9
59.04992	1.9
67.05183	2.8
67.05515	32.3
69.01204	1.9
69.03426	4.1
69.07081	27.9
69.39446	4.3
69.39874	8.1
71.05003	16.7
71.08621	1.6
78.44422	1.7
79.05506	13.7
81.03431	3.7
81.07066	73.2
83.04977	5.0
83.08613	10.4
85.02898	3.3
85.06557	29.1
89.06019	6.5
91.05494	13.8
93.07063	32.2
95.04975	4.1
95.08618	100.0
97.02919	8.2
97.06537	8.9
97.10177	4.1
98.97589	4.0
99.08106	4.9
105.07040	35.5
107.04884	2.0
107.08615	46.7
108.53601	1.5
109.02885	2.5
109.06583	3.3
109.09476	2.5
109.10175	36.4
111.08096	12.4
111.11723	3.6
113.09646	3.7
117.07066	2.0
119.08601	42.1
119.33945	1.5
121.06489	3.2
121.10160	42.6
123.08068	4.1
123.11725	40.5
125.09654	9.1
127.11202	3.3
131.08612	2.8
133.06520	2.3
133.10152	24.0
135.11713	22.8
137.09668	5.6
137.13286	6.7
139.11171	4.0
147.11710	35.5
147.26828	1.7
149.09657	2.7
149.13330	8.5
151.07596	2.4
151.11185	4.9
153.01854	2.4
153.12703	2.1
159.11653	2.8
161.09656	3.0
161.13289	28.9
163.14850	25.0
165.09132	4.2
165.12801	10.0
175.14848	10.0
177.16400	11.5
179.10706	2.3
179.14357	4.2
180.61578	2.1
185.02972	1.6
193.12219	2.2
198.06258	4.4
203.17990	89.1
207.06860	10.7
210.06375	1.6
218.57581	2.6
219.06862	2.8
221.11763	2.3
221.15387	4.5
221.19049	34.4
239.06943	3.0
239.08922	24.8
239.10742	1.6
239.12651	2.4
239.16437	6.5
239.20110	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.01866	5.6
55.05278	2.4
55.05512	31.3
56.96554	5.0
57.03431	6.2
57.07079	18.5
59.05003	16.7
60.13891	2.5
64.87167	2.7
67.05504	22.7
68.52818	2.9
69.03423	9.3
69.06685	3.2
69.07066	44.5
71.05000	16.3
71.12367	5.1
79.05482	17.6
81.03445	3.0
81.07057	100.0
83.04985	6.6
83.08610	18.9
85.02895	16.0
85.06534	9.8
87.04447	3.0
89.06051	5.1
91.05490	13.2
93.07053	38.4
95.05004	5.3
95.08606	93.7
97.02911	20.7
97.06536	6.7
97.10183	20.6
98.97587	13.0
99.04453	3.6
99.08076	8.4
103.71062	2.9
105.03368	3.9
105.07034	23.4
107.08594	47.7
109.06493	6.5
109.10158	58.0
110.97589	4.0
111.08085	11.4
111.11721	23.8
116.98617	5.0
119.08575	27.9
121.10134	34.1
123.08083	6.5
123.11703	38.9
125.09644	11.8
127.11215	3.2
133.10126	32.5
135.11691	51.9
137.09596	3.9
137.13257	44.2
139.11209	14.7
139.12093	2.5
140.98659	2.6
142.41783	2.8
143.10661	5.4
147.11684	29.3
149.13278	21.4
151.11194	7.2
153.12711	7.6
157.97461	2.9
158.99637	4.1
161.09486	2.9
161.13242	18.0
163.14836	23.1
164.04170	5.0
165.12758	11.7
167.14296	3.6
174.70926	3.1
175.14842	6.8
177.16489	6.0
193.19539	4.8
195.95126	2.9
203.17967	61.3
205.04904	3.2
206.05682	4.6
210.06758	4.3
218.55339	3.0
221.15504	5.8
221.19008	80.5
227.05690	24.1
227.55931	5.0
235.09654	24.1
236.06258	6.3
236.10019	5.0
238.56511	6.2
239.08855	17.6
239.10854	8.1
239.16325	6.6
239.20056	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1643
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
53.03921	2.2
55.01871	7.3
55.05508	18.0
57.03424	3.9
57.07077	27.6
59.04991	9.5
65.03934	3.3
67.05180	3.4
67.05508	46.7
68.99789	4.3
69.03425	10.0
69.07069	23.9
70.63914	4.6
70.64255	3.9
71.05000	11.4
79.05485	11.3
81.06653	3.0
81.07059	33.1
83.04987	25.6
83.08603	9.5
85.02897	2.7
85.06549	100.0
89.06030	4.3
90.86866	1.9
91.05477	12.5
93.07043	23.8
95.04984	18.3
95.08614	59.3
97.06519	22.2
97.10154	6.2
99.04454	2.8
99.08083	8.9
101.06021	2.2
105.03386	2.8
105.07036	17.5
107.04923	2.3
107.08593	30.6
109.06532	11.7
109.10157	67.0
111.04462	3.0
111.08086	33.5
113.06038	4.7
113.09651	12.2
117.07008	3.6
117.38966	2.4
119.08578	36.9
121.06487	4.2
121.10159	15.6
123.04404	2.9
123.08069	19.0
123.11753	3.9
125.06006	13.9
125.09662	13.0
127.07537	5.4
131.08508	2.7
133.06538	3.1
133.08636	2.4
133.10126	14.1
135.08067	9.8
135.11705	9.9
137.05937	2.5
137.09610	44.7
137.13237	20.5
139.07549	8.6
145.10101	5.5
147.08072	6.2
147.11736	2.9
149.09615	8.5
149.13217	3.0
151.11208	5.0
153.09116	59.1
153.12685	4.2
155.10675	26.1
161.09613	6.3
161.13242	6.3
163.11250	15.1
165.09105	21.8
168.62289	2.3
175.14803	7.9
179.14369	2.4
181.12273	6.9
181.14441	1.9
183.10167	35.8
185.13264	3.2
191.14359	6.8
193.12163	2.0
193.15854	2.9
196.17058	2.3
203.14307	8.2
203.18016	2.9
209.15356	20.7
221.11708	3.1
221.15358	42.7
229.65681	3.1
238.66086	4.3
239.08899	7.9
239.16412	90.0
239.20029	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	239.1642
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.83657	1.9
53.03946	2.2
55.01859	3.8
55.05515	20.7
55.07202	2.0
57.03426	7.5
57.07077	7.5
59.05001	12.7
63.95202	2.0
65.03947	3.7
65.85386	2.1
67.05511	28.0
67.76149	2.2
69.03447	10.8
69.04704	1.9
69.07072	27.9
70.98417	3.5
70.98756	2.9
71.04996	13.9
76.24693	1.9
79.05486	23.1
81.03434	4.7
81.07059	38.3
83.04985	13.7
83.08617	7.3
85.02902	6.0
85.06546	29.1
87.04471	2.8
89.06035	10.7
91.05474	38.5
93.07050	43.1
95.04962	7.1
95.08612	46.3
95.13165	2.1
97.06545	13.5
98.07430	2.0
98.97583	10.0
99.04458	3.9
99.08112	3.9
105.07033	37.0
107.04951	6.6
107.08595	100.0
109.06519	16.7
109.10161	30.6
111.08108	10.8
111.11704	2.9
113.09660	2.9
117.06958	2.6
119.08585	42.6
121.06505	7.8
121.10148	41.5
123.08089	24.4
123.11700	17.6
125.09641	3.1
131.08588	9.9
133.08611	2.7
133.10135	47.1
135.08055	36.9
135.11707	23.9
137.09624	36.4
137.13277	4.1
139.07535	4.5
139.11180	3.5
143.08537	3.7
145.10126	13.0
147.08104	5.4
147.11720	10.6
149.09659	15.5
149.13272	24.3
151.11174	34.2
153.09123	8.1
155.10663	3.5
157.10143	3.8
158.99617	2.5
159.11708	2.4
161.09627	11.0
161.13240	16.5
163.11183	16.8
163.14835	10.4
165.09149	9.3
173.13216	11.3
175.14825	7.2
177.00729	2.7
179.10661	3.9
179.14343	10.5
181.12187	13.3
182.05312	2.4
191.05760	5.1
191.14285	31.4
193.15837	4.4
203.14296	10.9
203.17960	8.9
209.15361	74.5
221.08096	4.0
221.11885	2.3
221.15382	28.7
221.18997	6.6
239.06825	4.1
239.08900	14.8
239.16418	48.8
239.20107	4.9
244.99823	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	239.1642
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.00492	0.5
53.03942	1.0
55.01856	1.7
55.05510	4.0
57.03419	1.2
57.07072	2.1
59.04995	1.2
62.62523	0.7
65.03925	0.8
67.05510	8.2
69.03411	2.1
69.07072	4.9
70.72734	0.7
70.73063	1.4
71.04987	5.1
71.08613	0.6
79.05487	9.8
81.03407	0.8
81.07056	14.7
83.04974	2.6
83.06190	0.6
83.08604	2.1
84.08129	1.1
85.02885	1.5
85.06544	6.1
89.06041	3.3
89.06502	0.6
91.05480	9.0
93.07044	19.4
95.04974	7.5
95.08612	13.3
97.02857	0.8
97.06516	2.8
98.04125	0.6
99.08064	0.9
103.05445	0.8
105.03393	1.6
105.07037	20.4
107.04949	1.4
107.07874	1.1
107.08595	17.9
109.06519	8.2
109.10168	7.8
111.04433	0.7
111.08068	2.8
115.05457	0.9
115.48914	0.6
117.06995	3.0
119.08588	13.6
121.06540	3.6
121.10144	17.2
123.08055	5.3
123.11707	1.8
125.05975	0.7
125.09615	1.1
127.07503	0.7
129.07002	1.1
131.08572	4.8
133.06445	1.0
133.08568	2.0
133.10146	10.8
135.08038	2.7
135.11728	3.9
137.06015	1.1
137.09627	4.7
143.08565	1.9
145.10127	6.7
147.04362	0.9
147.08028	2.1
147.11691	4.0
149.09641	11.9
149.13278	1.6
151.11211	1.5
153.05446	1.1
153.09123	1.6
157.10095	2.2
159.11739	1.9
161.05980	0.8
161.09599	3.1
161.13292	3.4
163.11174	2.9
163.14847	0.8
165.09140	2.2
165.12770	2.2
167.10684	37.3
170.10928	1.0
173.13286	2.0
175.07556	0.8
175.11235	1.4
175.14810	3.0
178.96399	1.0
179.06995	0.7
179.10585	0.8
181.12238	1.3
183.10194	0.6
185.13179	1.4
191.14363	1.3
193.08626	1.3
193.12212	1.1
203.10713	1.0
203.14304	3.1
207.18584	1.5
208.57210	0.7
209.15201	0.6
221.08015	1.4
221.11819	1.7
221.15323	7.2
239.05276	1.4
239.09000	11.5
239.16422	100.0
239.21359	2.0
240.16890	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03950	4.8
55.01869	6.1
55.05513	54.9
57.03433	5.0
57.07059	4.7
59.04998	4.0
62.67706	2.3
67.05511	15.5
68.58417	2.0
69.03419	5.2
69.07064	10.5
69.32018	13.5
69.32423	6.1
70.84837	2.3
71.04999	29.2
79.05499	18.1
81.03434	3.2
81.07056	47.1
83.04983	71.1
83.08616	3.6
85.06556	3.8
91.05482	26.0
93.07043	30.2
95.04967	16.0
95.08611	22.3
97.02848	2.3
97.06525	14.7
97.10110	2.9
98.97605	3.5
99.08100	5.0
103.05451	3.8
105.07027	32.4
107.04928	5.2
107.08577	34.0
109.06529	15.6
109.10153	28.2
111.08070	12.9
111.29803	2.3
115.05432	3.1
117.06975	6.2
119.04945	3.4
119.08608	14.8
121.06485	3.9
121.10149	48.5
123.08058	5.2
123.11712	19.7
125.09627	5.4
127.11189	8.3
131.08578	17.6
133.10133	100.0
135.08008	5.2
135.11742	22.7
137.05986	7.2
137.09625	5.2
137.13203	2.1
139.11174	21.5
145.10149	23.1
147.11682	16.2
149.02321	6.0
149.09634	3.9
149.13260	16.3
149.69980	2.2
151.11172	34.7
153.12766	16.0
159.11714	22.6
161.13242	9.6
163.07518	5.7
163.11189	9.5
166.36028	2.0
167.14169	2.8
172.39369	2.1
173.13278	4.3
175.14890	4.2
177.05504	2.7
177.12718	5.6
177.16386	4.5
181.04950	2.2
191.07045	13.2
191.17931	4.7
193.04877	5.1
201.16383	22.4
219.06424	2.6
219.13956	3.3
219.17422	28.4
228.10170	4.0
237.07573	17.6
237.14844	4.4
237.18491	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	237.1851
Annotation	Godotol A
Peak:m/z	Relative Intensity
51.01942	1.0
53.03946	1.6
53.45251	0.9
55.01865	1.0
55.05513	9.5
57.07084	2.4
57.53218	0.9
67.05515	10.7
69.03451	2.3
69.07066	8.8
70.77770	1.9
70.78082	1.2
71.05000	9.0
76.16130	1.0
79.05502	9.8
81.07059	27.0
83.05009	4.6
83.08626	4.6
85.02894	1.6
85.06550	1.7
91.05490	14.5
93.07052	36.7
95.04961	2.0
95.08619	26.7
97.06540	4.4
97.10158	1.1
99.08113	1.9
105.07043	26.1
107.08614	17.1
109.06541	3.2
109.10167	26.8
111.08095	20.4
117.07032	4.3
119.08592	59.9
121.06544	1.3
121.10153	100.0
123.08072	3.7
123.11720	4.4
125.09632	3.4
127.11180	3.4
130.07774	1.3
131.08582	7.3
133.10135	15.8
135.08116	3.4
135.11684	10.3
137.09605	2.7
139.03888	1.3
139.11198	2.9
143.08582	1.4
145.10136	17.8
146.05980	1.4
147.11685	4.4
149.09619	3.2
149.13301	5.8
151.11159	3.3
153.01801	6.8
159.11702	34.2
161.13268	35.0
163.11221	4.6
173.13332	5.2
175.06198	1.1
175.14828	3.1
176.96904	1.3
177.12735	4.6
177.16426	3.4
178.29747	1.0
179.14333	1.3
191.14354	1.5
191.17969	3.5
199.29703	1.0
201.16405	51.2
201.90752	1.0
202.24197	1.1
219.13850	4.4
219.17438	25.7
237.11223	4.6
237.14796	5.4
237.18552	16.4
237.22110	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03945	2.4
55.01862	2.0
55.05511	43.3
57.03421	1.7
57.07069	5.0
59.04989	3.9
67.05507	15.1
67.45171	1.2
69.03425	6.3
69.07073	15.5
69.54881	3.7
69.55293	4.1
71.05002	22.2
73.06553	1.9
79.05499	14.0
81.03418	2.0
81.07061	37.8
83.04488	2.7
83.04984	43.7
83.08620	7.8
85.02892	2.3
85.06544	6.2
91.05489	14.5
93.06490	1.8
93.07053	34.0
95.04986	8.5
95.08608	29.5
97.06528	14.1
97.10180	5.3
98.97613	2.9
99.04470	1.8
99.08095	6.9
105.07036	32.6
107.08592	38.7
108.04430	1.2
109.02843	1.4
109.05817	1.3
109.06541	6.3
109.10159	30.9
111.08084	14.3
112.68734	1.4
113.09657	1.9
117.07037	6.3
119.08585	15.6
121.06514	4.4
121.10152	46.2
123.08082	6.2
123.11726	13.9
125.09642	4.4
126.12189	1.2
127.07526	3.4
127.11159	8.2
129.06993	1.6
131.08569	10.9
133.10138	75.2
135.08040	3.8
135.11688	20.6
137.09636	4.5
137.13187	2.6
139.11209	16.7
141.09145	1.3
145.10124	18.5
146.06003	2.3
147.11693	16.1
149.09654	3.3
149.13255	12.2
151.11179	23.8
153.09093	1.8
153.12772	11.2
155.10703	1.9
156.07896	1.3
158.99713	1.8
159.11696	27.2
159.71689	1.2
160.41423	1.3
161.13243	9.3
163.07549	2.7
163.11182	13.8
163.14809	5.8
165.12778	1.7
167.10635	2.3
167.14302	2.2
173.13277	3.9
175.11282	1.4
175.14850	3.1
177.12813	6.6
177.16371	4.8
181.12212	6.5
191.07106	3.2
191.14325	4.0
191.17989	7.5
193.08540	2.1
193.12343	1.8
201.16389	24.3
208.07211	1.9
208.24016	1.7
216.10051	2.0
219.06561	1.6
219.13962	2.4
219.17441	34.1
228.10185	3.8
237.07628	4.2
237.11183	13.9
237.14749	2.6
237.18507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
51.69037	1.7
53.00302	1.7
53.03941	3.0
53.82782	1.6
55.01876	2.1
55.05520	54.8
56.96562	2.8
57.03441	3.2
57.07067	4.3
59.82005	1.5
67.05502	11.3
69.03444	4.6
69.07070	10.4
71.04999	37.5
71.07698	1.9
71.08031	2.9
73.06559	3.4
79.05502	11.5
81.07069	36.3
83.04490	3.1
83.04992	64.5
83.08651	3.5
85.06548	2.8
91.05492	11.3
93.07057	25.8
95.04978	10.3
95.08624	19.2
97.02872	2.6
97.06532	12.9
98.97598	5.5
99.04496	1.5
99.08083	4.2
105.07045	34.2
107.08607	25.6
109.06514	3.4
109.10174	26.3
111.08089	9.3
112.15332	1.9
117.07048	5.0
119.08595	11.8
121.06548	2.0
121.10164	39.2
123.08115	5.3
123.11717	13.8
125.09623	3.6
127.11195	7.1
127.12000	1.9
131.08594	14.9
133.10147	100.0
135.07996	1.8
135.11703	15.5
137.09648	2.4
137.13245	3.5
139.11191	21.4
145.10150	16.5
147.11703	18.1
149.09648	2.3
149.13272	13.3
151.03981	1.7
151.11209	31.6
153.12749	17.3
155.10721	2.1
156.07947	2.4
159.11707	23.5
161.13303	5.7
163.11208	8.3
167.14388	2.8
173.13344	2.4
175.14841	2.3
177.12793	3.8
181.12273	2.7
183.08676	2.2
191.17952	3.8
201.16428	17.4
219.14081	1.9
219.17477	29.6
228.10246	8.5
237.11188	11.5
237.14948	3.4
237.18533	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
55.01883	1.8
55.05518	9.3
57.07066	4.1
59.04996	4.9
65.03950	1.5
67.05505	13.0
69.06734	1.5
69.07073	16.9
71.04971	3.2
73.06537	1.1
78.69385	1.0
79.05498	12.6
81.07063	51.0
83.04974	4.8
83.08616	6.3
83.47707	1.1
85.06554	7.2
91.05490	9.2
93.06498	1.7
93.07053	27.8
95.04984	2.1
95.08612	55.2
97.06524	5.6
97.10178	7.7
99.08093	1.5
104.09838	1.4
105.06400	2.0
105.07043	29.8
107.08602	38.5
109.06527	2.6
109.10165	38.3
111.04437	1.7
111.08065	3.8
111.11723	2.8
113.09633	2.5
117.07014	5.1
119.07801	2.3
119.08593	28.0
121.06510	2.5
121.10152	36.5
123.08053	3.4
123.11725	8.0
125.09656	2.3
130.07736	1.7
131.08582	13.2
133.10153	16.3
135.08102	2.0
135.11705	39.8
137.09581	2.5
144.03209	1.3
144.09328	2.3
145.10124	35.1
145.69199	1.2
147.11717	11.2
149.09630	5.2
149.13271	6.8
150.47110	1.2
157.10141	1.7
159.11697	28.8
161.13268	24.2
163.11176	12.6
173.13278	11.0
175.14847	8.1
177.12770	2.3
177.16364	2.3
181.12276	1.4
189.16422	4.7
191.10623	1.2
191.17961	44.4
201.16393	55.5
207.17598	1.5
209.11705	1.4
219.17464	50.6
229.31067	2.1
237.18506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
50.69432	1.2
53.03935	1.4
53.04445	1.1
55.01854	1.3
55.05510	8.3
57.03432	1.9
57.07065	4.4
59.04990	3.8
65.03916	1.2
67.05503	14.2
69.03423	7.6
69.07069	13.5
69.60188	8.1
71.04997	13.7
79.05486	12.7
81.07060	56.4
83.04962	4.0
83.08619	5.5
83.23662	1.1
85.02905	2.1
85.06549	5.7
85.57480	1.1
91.05470	7.2
93.07037	24.8
95.04964	4.6
95.08612	16.9
97.06529	9.7
97.10199	2.2
99.08100	23.1
105.07030	21.0
107.08588	26.1
107.23959	1.3
109.02814	1.7
109.06512	9.8
109.10155	24.9
111.08082	14.2
111.11774	1.6
113.09631	1.6
117.07018	2.7
119.08595	14.4
121.06506	3.4
121.10146	21.0
123.08073	5.3
123.11710	7.9
125.09642	6.0
127.07574	12.4
127.11209	11.3
129.09146	1.6
131.08574	5.1
133.10129	26.7
135.08029	6.5
135.11694	13.7
137.09592	2.6
137.13225	1.2
139.03859	1.6
139.11163	3.8
143.08601	1.3
143.10680	5.0
144.09314	1.4
145.10118	13.2
147.11691	11.3
149.09621	4.0
149.13248	9.0
151.03870	1.8
151.11205	17.6
155.10680	5.6
159.11705	12.7
161.09645	1.5
161.13245	8.8
163.11165	6.0
165.12801	1.6
169.12271	2.5
173.13313	2.3
174.96909	2.1
175.14848	3.2
176.96939	4.4
177.12701	2.8
177.16403	3.9
179.14371	1.5
189.12816	8.4
189.16428	1.4
191.14264	3.3
191.18002	7.5
193.08627	1.9
201.16399	14.6
204.15092	10.3
219.17441	100.0
237.10455	2.3
237.14832	3.9
237.18510	28.6
237.22040	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03932	2.4
55.05517	13.2
55.29167	2.2
57.07079	5.2
59.05000	3.3
67.05507	20.3
69.03435	10.2
69.07075	11.7
69.54597	15.0
71.04995	23.7
79.05509	23.2
81.07061	100.0
83.08628	8.8
85.06551	5.8
91.05489	18.0
93.07047	44.1
95.04964	5.3
95.08609	34.7
97.06541	9.0
97.10166	3.4
98.21608	3.1
99.07478	4.6
99.08094	42.9
105.07030	33.1
107.08604	41.8
109.06547	12.6
109.10159	39.6
111.08086	8.3
117.21784	2.9
119.08587	50.5
121.06497	5.6
121.10151	88.0
123.08095	5.3
123.11722	13.8
125.09649	7.1
127.07555	13.8
127.11217	18.9
130.07813	2.8
131.08577	8.9
133.10141	41.0
135.08093	10.1
135.11699	20.3
139.11214	6.1
143.10693	5.7
145.10130	26.8
147.11691	8.2
149.09618	4.8
149.13284	12.6
151.11195	30.9
155.10695	5.7
159.11697	29.0
161.13281	28.9
163.11212	12.1
163.14830	2.5
169.12341	3.8
171.24103	2.5
175.14871	4.7
177.12801	5.1
177.16428	4.0
191.17960	17.4
201.16412	42.4
219.17468	54.0
237.14932	3.3
237.18518	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	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
55.01863	1.0
55.05507	6.6
57.03426	2.7
57.07068	7.7
59.04981	1.7
62.92253	0.8
67.05169	1.5
67.05501	14.5
68.99780	2.0
69.03424	1.1
69.07072	7.7
70.82009	1.7
70.82361	2.1
71.04980	3.5
75.04457	2.3
79.05483	10.3
81.06595	2.0
81.07058	36.4
83.04987	5.4
83.08611	3.2
85.06533	2.4
91.05476	12.0
93.07041	35.2
95.04958	2.9
95.08609	49.3
97.06527	3.9
97.10159	3.1
99.08079	2.1
105.07035	35.5
107.04930	1.8
107.08597	34.7
107.29649	1.0
109.02848	1.1
109.06487	5.7
109.10158	31.6
110.04983	1.0
111.04449	9.8
111.08072	7.9
113.09648	1.6
117.07000	3.2
119.08582	29.6
121.06506	1.6
121.09331	1.6
121.10149	21.2
123.08099	8.8
123.11697	4.1
125.05997	2.7
125.09627	5.7
130.07773	1.7
131.08578	12.5
133.10141	13.3
135.04468	1.5
135.08060	1.7
135.11679	8.9
137.09599	9.8
139.11201	1.5
144.09319	1.9
145.10123	33.6
146.10870	1.2
147.11714	7.9
149.09621	3.0
149.13269	6.2
151.11169	1.4
153.05438	5.2
157.10139	1.1
158.10759	1.1
159.11691	26.6
161.13268	29.9
163.03877	1.4
163.11229	5.9
163.14795	4.3
173.13274	9.1
175.14844	8.8
177.12675	2.5
177.16370	4.2
180.07852	1.1
181.12215	3.8
189.16335	4.1
191.10677	4.5
191.14325	4.4
191.17982	6.8
193.98611	1.1
201.16382	69.0
207.17323	2.1
209.11722	28.9
219.17438	100.0
237.03865	1.0
237.11238	3.1
237.14688	2.6
237.18495	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	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
52.51787	1.3
53.03938	3.1
55.01865	3.2
55.05519	13.2
57.03415	3.4
57.07061	6.6
59.04987	6.3
67.05508	18.9
69.03436	13.8
69.07069	14.3
70.64735	1.7
70.65054	3.7
71.04656	2.2
71.04998	26.9
73.07159	1.4
79.05499	21.6
81.07062	100.0
83.04961	2.8
83.08611	5.8
85.06534	7.1
86.03618	1.7
91.05494	11.2
93.07052	25.5
95.04947	6.6
95.08604	28.4
97.06564	7.7
97.10152	5.7
99.07497	2.9
99.08096	43.9
105.07030	26.5
107.08605	31.9
109.06529	16.0
109.10165	31.6
111.08083	4.9
111.11691	1.6
117.06997	3.1
119.08582	18.2
121.10153	24.4
123.08061	6.5
123.09224	1.4
123.11712	10.8
125.09642	7.6
127.07567	18.7
127.11208	21.9
131.08556	7.2
133.10135	38.2
134.50542	1.7
135.11684	12.2
137.09615	2.9
139.11174	6.4
143.10637	5.7
145.10136	19.0
147.11703	14.4
148.97513	1.6
149.09660	3.1
149.13248	9.2
151.03915	1.6
151.11183	37.3
153.12677	1.9
155.10669	7.8
159.11671	12.8
161.13257	10.3
163.11160	4.9
165.12749	3.5
169.12218	4.7
173.13170	2.6
175.14838	3.0
177.12770	2.9
177.16335	2.1
179.14322	2.4
191.18011	2.7
193.08636	2.9
201.16408	13.9
209.10826	1.8
219.14005	1.8
219.17439	32.2
237.10153	22.0
237.14807	4.8
237.18533	31.0
237.22005	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	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
50.27163	2.0
53.03942	5.6
55.01863	8.4
55.05512	29.2
57.03433	6.6
57.07068	7.9
59.04992	5.9
65.71577	2.0
67.05515	31.0
69.03443	10.2
69.07068	32.4
70.93665	5.2
71.04997	18.4
71.08631	2.5
79.05496	26.7
81.03415	2.8
81.07059	83.9
83.04976	17.4
83.08624	13.3
85.02895	4.4
85.06537	10.6
91.05494	25.8
93.07047	55.9
95.04976	8.2
95.08611	56.1
97.02905	3.2
97.06538	14.9
97.10164	8.3
98.97578	9.1
99.04435	4.1
99.08097	17.4
104.07028	2.1
105.03413	3.3
105.07034	48.2
107.04964	4.5
107.08599	62.7
109.06520	19.5
109.10168	36.6
111.04463	2.6
111.08086	23.5
115.07608	2.5
116.98611	3.5
117.07028	9.0
119.08590	37.4
121.05760	2.0
121.06496	11.4
121.09312	4.4
121.10144	44.1
123.08083	22.1
123.11716	14.4
125.09642	10.2
127.07543	7.7
127.11216	10.4
129.07018	6.5
131.04831	2.4
131.08572	24.4
131.49138	2.1
133.10127	47.0
134.68179	2.0
135.04475	2.3
135.08009	12.6
135.11690	26.4
137.06038	2.8
137.09599	19.9
137.13287	2.6
139.07607	2.5
139.11156	9.1
142.56798	2.2
143.08568	2.7
143.10661	4.3
144.05699	3.0
144.09340	2.6
145.06496	4.6
145.10130	37.1
146.06017	5.3
147.11711	21.2
149.09601	13.1
149.13287	12.2
151.07561	2.9
151.11189	26.9
153.09131	2.1
153.12709	2.8
155.10629	3.0
157.10028	4.1
158.99568	2.8
159.08069	3.0
159.11696	40.2
161.09532	3.8
161.13286	22.7
163.07587	5.2
163.11240	24.5
163.14818	4.5
165.12753	6.6
167.10544	2.3
173.13300	9.5
175.07501	2.4
175.14838	9.2
177.09068	3.0
177.12749	14.1
177.16397	9.7
179.14308	5.5
181.12253	4.2
187.07570	4.3
191.07050	8.6
191.10800	2.9
191.14348	7.7
191.17981	8.2
201.12679	3.3
201.16412	56.6
209.09721	2.3
219.10167	15.3
219.13812	8.8
219.17448	100.0
228.10182	3.5
237.05432	3.9
237.07379	4.5
237.09305	4.0
237.11203	4.7
237.14912	20.9
237.18510	90.4
237.22162	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	237.1486
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
51.02364	1.0
53.03938	3.1
55.01875	4.9
55.05513	24.5
57.03413	3.5
57.07065	2.6
58.24044	0.8
59.04998	4.7
65.03902	1.1
67.05503	14.5
69.03434	9.1
69.07070	13.6
69.60789	5.4
71.04992	7.3
73.02906	1.6
79.05498	15.0
81.03412	3.1
81.07059	22.2
83.04987	14.1
83.08606	3.9
85.02888	2.9
85.06549	9.0
87.04459	1.6
88.30322	0.9
91.04916	1.0
91.05482	18.2
93.07048	38.2
94.06551	2.7
95.04971	12.5
95.08612	20.7
97.02847	1.8
97.06548	9.7
97.10150	1.0
98.97614	1.3
99.04424	3.4
99.08087	2.8
101.06071	0.9
103.05457	2.5
105.03404	1.2
105.07037	26.7
107.04948	2.4
107.08601	37.1
109.06518	15.1
109.10154	14.2
111.04428	2.6
111.08089	11.8
113.09650	9.0
115.05405	1.3
117.07024	5.8
119.08591	25.4
120.08076	1.7
121.04001	1.7
121.05662	1.7
121.06510	24.3
121.09473	0.9
121.10143	21.9
123.04446	2.1
123.08070	12.2
123.11715	5.7
125.05974	1.9
125.09615	2.8
128.06192	1.5
129.06982	3.2
131.04909	3.4
131.08569	13.4
133.06442	1.3
133.10133	27.3
135.08061	23.6
135.11716	9.2
137.05943	2.3
137.09624	11.5
137.13268	1.4
139.05020	2.2
139.07596	1.2
139.11157	3.9
141.06985	1.4
141.09186	1.3
143.08546	4.8
144.09317	4.2
145.06352	1.0
145.10149	7.9
146.05989	5.0
146.07199	1.7
147.04417	1.6
147.08031	2.6
147.11685	14.1
148.05112	1.0
149.02319	1.3
149.05960	1.5
149.08430	1.3
149.09621	25.7
149.13293	7.6
151.07555	5.0
151.11183	7.7
153.01836	2.2
153.09117	16.9
157.06552	1.0
158.07202	1.3
158.10895	1.5
159.08063	6.1
159.11696	14.2
161.09630	23.7
161.13281	8.0
163.07582	4.6
163.11159	4.0
163.14865	2.2
165.09109	2.4
165.12769	2.4
171.11710	1.5
172.08890	1.0
173.09613	3.8
173.13260	8.6
174.05547	1.2
175.11250	1.7
175.14827	1.7
176.96907	1.7
177.05508	1.4
177.09125	2.6
177.12762	11.7
179.10677	12.4
179.14311	1.6
180.11462	1.8
181.08583	1.6
181.12207	1.1
186.10373	3.2
189.09126	3.2
189.12741	4.2
189.16222	1.3
189.89410	1.0
191.07097	1.0
191.10741	1.5
191.14314	4.4
191.17825	1.0
192.06508	2.5
193.08620	1.3
195.13786	3.5
201.09242	1.0
201.12744	4.0
201.16356	4.1
207.13841	9.5
209.15402	1.3
219.06393	1.2
219.10161	4.1
219.13791	8.0
219.17368	6.6
225.85310	1.0
237.07274	4.6
237.14850	100.0
237.18263	6.8
237.22163	3.2
238.10890	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1487
Annotation	Cuspidiol
Peak:m/z	Relative Intensity
53.03932	4.0
55.01876	18.2
55.05517	18.8
57.03424	6.4
57.07062	6.3
58.85938	1.8
59.05005	100.0
61.35926	2.0
65.03942	3.1
65.76077	1.6
67.05504	26.7
69.03432	11.6
69.07074	26.6
71.04994	13.6
71.08662	1.8
71.53464	3.3
73.02917	1.9
79.05499	26.2
81.03427	2.6
81.06596	2.5
81.07062	51.8
83.04985	21.0
83.08611	7.2
85.02891	4.6
85.06556	18.5
87.04472	37.1
91.05491	29.8
93.07050	59.9
93.39381	1.9
95.04984	11.6
95.08058	3.2
95.08612	36.2
97.02872	2.7
97.06533	18.4
97.10143	3.3
98.07339	1.7
98.97566	5.7
99.04497	9.2
99.08098	4.0
99.75537	2.0
100.11279	2.4
100.59562	1.8
101.06006	7.5
103.05441	2.2
105.03414	3.0
105.07034	35.7
107.04971	3.3
107.08602	58.2
109.06532	16.4
109.10159	29.0
111.04441	7.9
111.08092	52.6
111.11678	1.8
113.09627	4.0
115.05451	2.7
115.07509	1.7
117.07031	16.2
119.08588	35.7
121.06532	16.1
121.10149	38.7
123.04412	4.1
123.08069	15.6
123.11709	17.3
123.72649	2.1
125.05988	3.5
125.09621	8.5
127.07562	2.2
129.07019	6.1
131.04947	2.3
131.08568	21.2
133.06451	2.8
133.10136	34.4
134.07399	1.8
135.08061	39.7
135.11697	25.3
136.08908	2.3
137.05957	5.1
137.09622	12.6
137.13258	4.1
139.11171	7.9
141.07048	2.9
143.08508	4.9
144.09308	4.0
145.06491	4.2
145.10124	24.4
146.06073	8.6
147.04401	2.7
147.08018	3.8
147.11710	10.5
149.05980	2.2
149.09628	89.9
149.13275	12.6
150.96822	2.5
151.07542	6.4
151.11200	62.3
153.09140	10.2
157.10152	4.4
158.10892	4.4
158.99619	4.1
159.08063	6.9
159.11716	32.8
161.05911	2.5
161.09656	13.5
161.13260	25.0
163.07565	8.5
163.11226	11.6
163.14862	4.8
165.09157	3.0
165.12793	1.7
167.10696	15.8
167.14259	1.9
171.11685	2.8
173.09636	9.4
173.13284	21.8
175.11142	3.9
175.14755	4.8
176.96912	5.9
177.09097	7.5
177.12750	12.2
177.16301	3.0
179.10661	18.4
179.14310	8.4
181.08601	5.4
183.11754	2.6
186.10408	5.2
189.12737	8.3
189.16476	1.7
191.06989	3.5
191.10681	5.0
191.14334	11.8
191.17944	3.9
192.06577	2.9
201.12756	36.4
201.16391	21.2
205.07097	1.9
207.13820	16.3
213.67937	3.2
216.10120	2.1
219.10188	3.6
219.13835	32.2
219.17430	33.3
237.07407	3.4
237.09341	2.3
237.11116	3.6
237.12883	2.4
237.14861	71.3
237.18556	40.4
237.22253	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	237.1487
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03938	1.9
55.05516	22.2
59.05005	1.8
67.05516	10.4
69.03430	6.4
69.07082	8.2
69.81660	9.0
69.82030	3.2
71.04984	4.6
74.55597	1.6
79.05492	11.7
81.07059	13.4
83.04996	14.3
83.08605	1.9
85.02880	1.5
85.06550	8.1
91.05488	13.6
93.07055	28.3
93.31407	1.6
95.04980	9.1
95.08610	14.3
97.06528	9.1
98.20830	2.1
100.79029	1.4
103.05497	2.6
105.07035	23.7
107.04929	2.4
107.08606	26.1
108.74950	1.7
109.06524	14.2
109.10180	11.9
111.08076	3.8
113.09676	7.9
115.05502	1.5
117.07030	3.3
119.08591	26.7
121.06516	22.4
121.10149	16.0
123.08109	11.8
123.11671	3.5
131.08557	10.2
133.10129	23.1
135.08040	16.6
135.11690	8.7
137.09631	8.8
143.08565	3.1
144.09311	2.8
145.10117	3.5
146.06015	1.8
146.07205	2.4
147.08116	3.0
147.11662	10.8
149.09641	21.7
149.13271	5.3
151.07561	5.6
151.11200	7.2
153.09108	14.4
159.08055	3.0
159.11694	13.0
161.09625	26.7
161.13266	5.5
163.07564	3.9
163.11174	2.4
173.09659	3.0
173.13278	5.9
177.09119	3.4
177.12686	10.6
179.10719	13.3
180.11539	2.9
189.12703	3.7
191.14285	3.7
193.04997	5.1
195.13838	3.4
201.12714	4.7
207.13805	8.7
219.13850	8.5
219.17453	2.4
237.07547	3.7
237.14868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1488
Annotation	Cuspidiol
Peak:m/z	Relative Intensity
55.01875	3.0
55.05271	1.2
55.05516	14.9
56.96553	1.9
57.07085	1.2
58.40366	1.0
59.04998	1.2
60.53278	0.9
65.03954	2.1
65.08875	0.8
65.78600	0.8
67.05515	25.1
69.03433	5.7
69.07081	6.7
69.17663	7.9
71.05006	2.2
75.04472	0.8
79.05520	5.2
81.03424	2.1
81.07081	6.0
83.04989	10.8
83.08609	1.2
85.02908	4.2
91.05493	8.3
93.07059	13.7
95.04980	32.6
95.08624	10.0
97.06554	4.9
98.21548	1.9
98.97586	3.7
99.04471	3.2
103.05478	1.5
104.68450	1.0
105.03423	1.6
105.07048	16.3
105.72125	0.9
107.08616	14.7
109.02892	1.4
109.06532	5.0
109.10155	4.0
111.04475	1.4
111.08101	7.9
115.05474	1.3
116.98608	1.5
117.07039	2.9
119.08612	19.1
120.08084	1.9
121.06544	7.3
121.10145	6.7
123.08089	7.3
124.99134	1.1
125.06014	1.6
125.09650	1.4
128.06229	1.7
129.06985	2.4
131.04884	1.0
131.08583	8.0
133.06474	1.0
133.10152	14.3
135.08075	36.4
135.11722	4.4
137.09630	10.1
139.07559	1.1
141.09137	1.1
143.00142	1.1
143.08589	4.5
144.09352	2.2
145.06400	1.0
145.10120	3.3
146.05998	5.8
147.08087	7.7
147.11682	1.9
149.09631	1.9
149.13272	3.5
151.07574	1.7
156.09344	1.0
157.10126	1.9
158.10931	1.4
159.08148	1.6
159.11720	14.0
160.08905	1.0
161.09650	19.7
161.13277	4.5
162.10414	3.8
163.03894	3.6
163.07536	3.5
163.11172	1.9
165.09140	2.9
172.08833	1.4
173.09688	1.7
173.13263	8.2
175.11182	1.7
176.96841	1.3
177.00763	1.3
177.09146	3.5
177.12784	16.6
183.11795	1.1
186.10390	1.1
186.50128	1.0
189.12785	4.4
191.14272	2.2
192.06528	1.1
201.12703	5.3
219.13831	100.0
237.02269	1.2
237.09145	1.4
237.14859	18.8
237.22000	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1485
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03932	2.8
55.01867	3.6
55.05511	22.9
56.29300	0.7
57.03421	1.4
57.07057	2.4
59.04990	2.2
63.91238	0.7
67.05509	10.9
69.03432	8.7
69.07071	11.7
71.04992	4.8
71.31875	0.7
71.52463	1.5
71.95285	0.9
79.05493	11.0
81.03426	1.3
81.07066	16.5
81.57688	0.7
83.04987	12.6
83.08600	1.3
85.02898	1.8
85.06549	10.2
87.04464	5.5
91.05480	13.2
93.07045	34.0
95.04971	10.6
95.08607	17.9
97.02866	1.1
97.06531	10.5
99.04459	2.3
99.08057	1.1
103.05465	2.5
105.07030	27.6
107.04940	2.4
107.08598	30.2
109.05811	1.0
109.06522	14.5
109.10161	10.8
111.04418	1.9
111.08092	5.1
113.09646	10.1
115.05441	1.7
117.07023	4.7
118.07756	0.8
119.05002	0.9
119.08585	24.2
121.06513	28.3
121.10142	22.4
123.04315	0.8
123.08067	12.3
123.11710	5.2
125.05949	1.4
125.09616	1.7
128.06233	2.1
129.06976	1.6
131.04926	2.4
131.08583	10.7
133.06502	1.0
133.07620	0.8
133.10136	28.3
135.08061	20.7
135.11693	9.5
137.06000	1.0
137.09610	13.4
137.13205	0.8
139.07542	1.0
141.07057	0.9
141.09099	0.9
143.08556	5.4
144.09296	2.6
145.06448	1.3
145.10123	5.6
146.06029	2.3
146.07224	1.0
147.08064	3.7
147.11674	15.6
149.09619	27.6
149.13243	7.9
151.07555	5.7
151.11205	7.0
153.09111	19.3
158.10851	1.0
159.04401	0.9
159.08046	4.4
159.11693	12.1
161.09612	30.8
161.13307	5.4
163.07524	3.3
163.11133	2.6
163.14934	1.1
165.09113	3.2
165.12758	2.1
171.08131	0.8
171.11679	1.4
172.08829	1.5
173.09680	3.8
173.13277	7.9
175.11188	1.3
177.09114	4.0
177.12755	14.6
179.10669	13.3
179.14276	1.4
180.11392	1.8
181.12274	1.1
183.11754	1.0
186.10391	3.7
189.12796	5.0
191.14291	4.1
195.13744	3.8
201.12791	4.9
201.16486	2.1
207.13794	9.3
209.15356	2.7
219.06529	3.6
219.10031	1.2
219.13799	10.0
219.17343	1.5
237.03963	1.7
237.14848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0874
Annotation	L-Formylkynurenine
Peak:m/z	Relative Intensity
56.96582	1.7
57.03440	0.2
60.95862	0.2
61.02919	0.2
69.03437	0.2
70.60574	0.5
70.98122	0.7
71.01361	0.2
74.02041	0.3
74.02453	6.2
77.03943	0.3
85.01457	0.2
91.05478	0.4
94.06604	0.2
97.02888	0.3
98.21455	0.2
98.97589	2.5
110.97559	0.3
111.95789	0.2
116.98607	0.9
118.06584	1.1
124.99139	0.2
128.04971	3.6
128.98628	0.3
130.06573	0.3
132.04425	0.4
140.24806	0.2
143.00208	0.3
145.03511	0.4
146.06027	100.0
147.03352	0.2
147.04440	0.3
147.06369	0.6
148.03938	0.6
158.06006	0.4
158.99718	0.2
163.03981	0.3
168.05107	0.3
170.04991	0.2
172.97612	0.5
173.01236	0.2
173.07158	0.4
174.05559	0.3
177.00713	0.4
188.05896	0.2
190.98671	0.6
191.02309	0.3
191.08124	0.4
195.01917	0.2
196.04652	0.3
214.05667	0.5
219.07584	0.8
227.57077	0.3
237.02838	0.3
237.06357	0.3
237.08745	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	236.1645
Annotation	Huperzine W
Peak:m/z	Relative Intensity
55.05512	3.8
56.05038	0.6
57.03189	0.6
57.03440	6.6
58.07411	0.5
63.30909	0.3
67.05496	0.8
69.07061	0.5
69.34853	3.6
70.59431	0.4
77.10847	0.4
79.05498	1.3
80.05015	0.8
81.05813	0.4
81.07034	0.9
82.06551	0.7
85.45879	0.4
91.05479	1.0
93.05777	0.9
93.07045	1.6
94.06565	3.3
95.04879	0.4
95.08593	0.6
95.98811	0.4
96.08147	0.9
96.08930	0.4
97.06498	0.5
101.06030	3.9
104.07095	0.6
105.07000	1.1
106.06535	1.1
107.07288	0.6
107.08560	1.1
108.04522	0.4
108.08125	4.9
110.06015	0.7
110.09664	1.2
112.07593	0.8
115.02026	0.5
117.07036	0.5
118.06528	0.8
119.08562	1.3
120.08111	4.1
121.08900	0.6
121.10128	0.7
122.06033	1.4
122.09648	1.3
124.07603	4.7
125.08359	0.9
126.09161	4.0
131.08543	0.5
132.08090	3.4
133.08881	1.3
134.05966	0.5
134.09645	3.1
135.10419	1.6
136.07559	1.8
136.11221	1.7
137.08337	1.8
138.09149	12.8
145.10126	0.6
146.09639	1.9
148.11215	4.1
150.09151	4.7
151.09940	0.7
152.07031	1.1
152.10712	1.0
158.09570	0.6
161.12029	0.7
162.12756	3.5
164.10738	8.2
165.11487	1.6
166.12282	16.5
176.10724	1.2
178.12302	3.2
179.13058	2.5
180.13844	12.0
182.11787	11.2
189.11490	0.7
190.12292	0.6
191.12941	0.5
192.55280	0.4
194.11774	26.1
208.17044	1.3
218.15401	6.0
218.47273	0.4
236.16464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56217	3.6
53.03947	4.9
55.01865	9.8
55.05508	5.8
56.96572	82.4
57.03190	5.0
57.03444	54.1
57.08579	3.3
57.35721	3.0
59.04991	10.7
60.95855	3.7
61.02937	100.0
63.78807	3.9
67.93706	4.0
69.03439	30.4
69.22446	33.4
70.98108	16.6
71.01349	9.3
71.05006	22.0
71.95255	6.9
73.02924	30.7
74.06063	5.1
75.04482	4.8
79.27228	3.5
81.03427	29.1
83.05000	6.2
84.01561	4.7
84.96037	22.5
85.02915	59.7
86.03687	11.7
87.04469	15.6
88.99172	4.7
89.00799	3.9
90.01551	4.7
96.01533	6.5
97.02362	4.4
97.02901	31.6
97.96857	9.7
98.01300	8.8
98.97594	71.9
99.02053	3.4
99.04460	12.5
99.97945	4.2
100.05256	9.3
100.07630	9.4
101.00832	13.8
102.00961	6.2
103.00603	4.9
103.02412	5.2
108.01511	6.0
109.02883	15.8
110.01311	18.6
110.97566	18.4
112.99153	12.9
113.02383	5.6
115.00658	4.8
115.02415	10.0
116.98632	18.9
117.02010	18.3
117.02879	4.1
118.01041	6.8
118.01842	4.8
118.02791	5.2
118.51431	4.7
119.01874	31.4
120.00719	4.2
121.01646	7.0
124.95477	3.9
124.99122	9.7
126.02582	30.1
126.98807	4.5
127.03950	18.0
128.02357	13.3
128.98621	17.2
131.00133	11.6
131.01895	11.4
132.00775	8.0
133.01685	10.7
133.03433	13.2
134.89102	3.7
135.01231	4.5
135.03093	27.3
137.01738	6.6
139.00575	4.1
139.01511	8.4
139.03345	6.4
141.01251	6.2
143.00171	14.4
143.01871	5.4
144.02612	6.5
144.03619	11.0
144.99809	8.6
145.01591	8.7
145.03448	12.2
146.00467	4.7
146.02386	5.0
146.06033	9.2
146.08112	6.3
146.99626	10.0
147.03110	10.4
147.05049	5.8
148.02039	5.9
148.03880	41.6
148.04826	6.0
149.01210	15.5
150.01801	5.9
150.51961	6.2
151.02829	6.0
153.03178	6.0
154.02063	5.3
155.04613	8.0
156.98192	4.5
157.02606	12.2
157.04427	13.4
158.99649	14.6
159.01274	6.9
159.03256	4.7
160.02060	6.7
161.01166	9.0
161.02948	5.5
161.05562	7.4
163.02739	4.9
164.03282	5.4
164.04971	5.1
167.01790	5.8
168.01837	5.7
169.02583	9.2
170.03520	4.8
170.05019	5.0
171.01421	11.2
171.04109	15.5
172.97656	7.1
173.01231	8.1
174.99176	3.8
175.02684	13.2
176.03278	18.3
177.00717	9.0
177.02435	5.2
178.03110	10.3
178.04628	6.8
182.03400	6.6
184.03091	7.6
185.03964	13.0
188.02313	8.6
189.00771	5.6
189.02452	5.6
189.06015	8.3
189.97365	4.8
190.03003	14.9
190.98637	8.4
191.02274	8.4
191.03949	9.7
193.00172	5.9
194.04376	13.3
198.04756	5.8
198.56316	4.2
199.03716	12.6
200.04437	6.7
200.09262	4.9
201.00763	6.8
205.00188	10.9
205.01997	4.8
206.04401	8.5
207.05202	9.2
208.04054	8.5
211.03709	7.6
213.02727	12.2
213.06042	4.0
215.06264	5.0
218.10196	8.3
219.01755	16.9
220.04100	24.4
224.06831	7.5
227.04910	9.3
227.06833	5.6
229.04814	9.1
233.03304	10.0
236.05017	24.8
236.07439	41.3
236.11145	6.5
237.02898	4.2
247.03053	4.7
251.04446	22.1
254.99872	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	235.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59371	1.2
53.03937	1.7
55.05512	10.7
57.06840	1.8
57.07078	23.5
58.96136	2.0
59.04982	2.6
65.03956	1.6
67.05181	1.7
67.05511	28.6
69.07074	45.3
70.11709	5.3
71.04987	5.6
73.06557	1.5
79.05066	2.1
79.05497	30.7
81.06598	2.4
81.07060	49.3
83.08613	10.2
85.06525	2.9
85.10217	1.3
86.09667	2.2
88.06842	1.2
91.05487	61.0
93.06490	2.6
93.07051	36.9
95.04962	5.1
95.08614	52.0
97.06493	2.8
97.10150	2.5
97.35944	1.8
97.73748	1.4
99.98751	2.6
103.05495	1.5
105.07037	69.7
107.08601	35.1
109.06518	4.0
109.10162	61.9
111.08102	9.1
117.07011	6.9
119.08591	85.7
121.06508	2.8
121.10152	21.9
123.08113	8.0
123.10845	1.7
123.11717	24.3
125.09613	1.9
125.13239	3.3
129.06918	2.4
131.08563	4.3
133.10139	48.4
135.08043	2.0
135.11708	8.0
137.09514	3.0
137.13274	3.2
139.11150	1.5
143.08530	1.6
145.10109	4.2
147.08054	2.9
147.11697	75.9
149.09615	2.5
149.13229	5.8
151.11192	29.4
157.10106	2.6
159.11685	5.9
160.12422	1.7
161.09583	2.9
161.13264	22.1
163.11012	1.3
163.66203	1.5
173.13214	2.5
175.11108	2.0
175.14832	13.4
177.12766	2.7
179.07077	1.7
179.10680	13.4
179.14301	4.3
189.12729	2.3
189.16415	5.2
199.14870	3.4
203.17964	100.0
206.05804	2.1
217.15865	7.8
217.19579	1.8
235.09631	5.3
235.13202	3.5
235.14926	3.7
235.16928	58.1
235.20461	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	Rishitinol
Peak:m/z	Relative Intensity
53.03922	1.0
55.05513	4.5
57.07072	4.5
62.98503	0.8
65.76367	0.8
67.05505	10.7
69.03422	1.4
69.07056	4.2
70.06918	4.1
71.04993	20.0
76.69983	0.8
79.05060	1.5
79.05488	12.0
81.06603	1.5
81.07059	29.3
83.04960	2.9
83.08578	1.2
85.02876	1.1
85.06532	2.3
88.03983	1.2
91.05479	11.4
93.07050	15.9
95.04988	4.4
95.08607	26.8
95.63843	0.9
97.06557	4.8
97.07116	0.9
98.97587	4.4
105.07036	15.9
107.04966	1.2
107.07874	1.8
107.08596	27.8
109.06528	11.6
109.10153	6.9
111.08102	7.0
113.09614	1.2
115.48955	1.0
117.07005	3.6
119.07808	1.4
119.08585	17.4
121.06502	1.1
121.10155	7.2
123.04491	1.1
123.08071	33.4
125.09640	1.0
127.07540	4.1
128.06227	1.7
129.06970	3.5
130.07809	1.0
131.08556	10.9
133.10133	15.6
134.55899	0.8
135.08037	3.7
135.11700	5.0
137.09628	13.6
139.03889	1.4
139.73778	1.0
142.07768	4.3
143.08582	8.1
144.09328	3.1
145.06529	1.3
145.10139	5.7
147.08057	2.0
147.11681	13.8
149.09604	3.9
151.11156	3.3
157.10141	22.3
158.99698	1.8
159.07932	0.9
159.11699	39.7
161.09590	6.2
161.13243	1.8
163.11124	1.3
165.12769	17.8
169.10156	1.8
171.11688	4.1
172.29877	0.9
173.13223	6.3
175.11197	16.0
175.14827	19.4
177.12746	7.8
179.10680	5.4
184.12469	1.5
189.16379	3.6
191.14401	0.9
193.15843	6.4
199.14822	100.0
200.15218	1.0
205.15909	1.5
217.15887	55.9
218.11032	1.2
223.09174	2.0
235.09642	2.0
235.13213	2.4
235.16927	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	10-epi-7,10-epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
53.03939	4.4
54.05563	2.1
55.01871	4.7
55.05508	11.0
57.07078	22.6
59.04988	3.5
65.03955	2.3
67.05220	2.3
67.05515	22.5
69.03435	100.0
69.07062	22.1
69.87231	11.5
71.05019	12.1
79.05503	20.6
81.07066	53.2
83.04967	6.1
83.08628	5.0
85.06545	9.5
87.04482	3.1
89.58228	2.2
91.05486	27.0
93.07052	41.8
95.04990	10.5
95.08613	51.5
97.05923	3.6
97.06539	67.8
97.10143	2.6
98.21413	3.6
105.07038	73.3
107.04926	2.6
107.07880	5.3
107.08603	95.4
109.06519	23.2
109.10143	15.9
111.08086	3.0
113.06004	2.2
113.09660	3.2
117.06985	4.5
119.08595	35.4
121.06496	5.3
121.10155	23.6
123.04430	3.1
123.08072	20.7
123.11712	6.5
125.09638	47.2
129.07042	3.4
131.08589	14.6
133.09117	4.1
133.10129	57.1
135.08095	6.3
135.11707	8.5
137.09561	4.2
139.07591	2.3
139.11172	7.5
141.09105	18.6
142.07776	6.7
143.08578	12.6
145.10124	10.3
147.11671	25.0
149.09627	6.1
149.13284	5.3
151.11189	18.9
153.12764	2.6
157.10132	15.5
159.11703	19.3
161.09625	6.1
161.13284	8.0
163.14912	2.3
164.46422	2.3
164.77618	2.0
171.11716	4.2
173.13283	9.6
175.11151	4.6
175.14789	10.5
177.12744	5.4
179.07045	4.1
179.10667	7.9
189.16360	12.5
191.14256	10.8
193.15857	2.9
199.14830	10.7
203.18095	2.6
217.12256	2.7
217.15854	17.0
217.19479	3.1
220.56102	2.2
235.09608	3.0
235.13396	14.5
235.16925	70.7
235.20535	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	235.1694
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03929	1.7
55.01868	3.0
55.05516	8.7
57.03423	2.0
57.07082	14.1
59.04988	3.9
67.05515	13.2
68.24294	1.1
69.03430	5.3
69.07072	17.4
69.34680	1.9
69.35013	9.2
71.05005	8.3
75.59576	1.0
79.05496	10.1
81.03419	1.3
81.07057	18.3
83.04968	3.9
83.08611	4.7
85.06544	5.5
91.04979	1.5
91.05487	16.3
93.07056	23.0
95.04970	7.9
95.08612	28.2
97.06551	8.3
98.21527	2.0
105.07039	34.3
107.05013	1.8
107.08600	38.5
109.06519	8.1
109.10165	17.9
111.08075	5.7
114.75151	1.1
115.05422	2.2
117.07030	6.7
119.08587	95.7
121.06510	4.5
121.10152	20.2
123.04414	1.3
123.08058	4.4
123.11691	5.0
125.09657	2.3
128.06212	3.5
129.07042	5.1
131.08574	20.8
133.06523	1.7
133.10139	56.4
135.08063	18.9
135.11687	10.3
137.09656	7.5
139.11154	2.4
142.07799	3.5
143.08560	13.6
144.09344	2.6
145.10144	18.1
146.07253	1.8
147.08038	7.9
147.11693	21.8
149.09579	3.7
149.13249	4.3
151.11157	9.9
156.09315	3.9
157.10138	15.1
158.10890	3.5
159.11707	17.8
160.08771	1.8
161.09634	57.8
161.13231	5.3
162.10361	1.2
165.12776	1.6
171.11682	9.4
173.13287	23.0
175.11214	14.8
175.14841	20.8
177.12691	6.3
179.10686	18.2
184.12509	3.0
187.11194	2.0
187.14830	5.1
189.12735	3.1
189.16388	24.7
191.14339	3.9
193.15945	4.4
199.14833	16.4
202.13618	2.6
205.04929	1.4
206.05717	1.4
207.53239	1.2
217.15895	97.5
217.19479	4.1
235.09622	6.9
235.16939	100.0
235.20712	4.1
256.80713	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	1(10),4-Cadinadien-14-oic acid
Peak:m/z	Relative Intensity
51.22885	1.0
53.03942	2.8
55.01860	1.3
55.05515	9.4
57.07080	12.3
62.57694	0.9
67.05509	8.6
69.03436	1.2
69.07075	16.8
71.04992	2.2
79.05494	15.0
81.07059	19.3
83.04996	1.7
83.08631	12.1
84.86816	1.0
85.06533	1.8
91.05485	17.5
93.07049	29.5
95.04981	1.8
95.08617	38.9
97.06516	2.1
97.10159	2.4
99.04449	1.5
101.05990	1.2
105.07040	37.3
107.08607	21.5
109.06516	3.4
109.10155	7.3
111.08067	1.1
113.05994	1.0
117.07025	2.5
119.08591	43.3
120.72370	0.9
121.06512	13.7
121.10161	25.2
121.11029	1.3
123.08039	2.9
127.07600	1.4
128.06186	1.4
129.07036	2.1
131.08589	6.1
133.06483	4.6
133.10132	18.9
135.08049	5.0
135.11681	3.9
137.09610	2.4
139.07527	7.5
143.08554	2.4
145.10130	3.5
147.08029	8.7
147.11682	7.9
149.09637	2.3
149.13193	1.7
151.07533	3.7
151.11214	2.0
153.09119	4.7
157.10170	5.1
159.11681	3.3
161.05975	1.1
161.09605	6.9
161.13231	2.0
162.06830	1.2
163.11186	1.1
165.09125	13.0
171.11707	1.9
173.13283	7.6
174.10396	1.0
175.07564	1.0
175.11235	4.6
175.14835	33.5
179.07137	1.8
179.10686	15.0
189.12759	2.9
189.16408	5.8
193.12296	1.7
193.69838	1.0
199.14815	13.6
217.15915	20.8
235.09642	2.2
235.13406	16.0
235.16940	100.0
258.63794	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0966
Annotation	Coumarsabin
Peak:m/z	Relative Intensity
51.99360	0.2
54.55658	0.2
61.76106	0.2
66.69897	0.1
69.75155	0.6
81.07041	0.2
84.37730	0.2
95.08546	0.1
106.75489	0.2
122.03566	0.2
123.04440	0.5
130.84842	0.2
138.92865	0.1
151.07568	0.3
153.01855	0.5
163.03857	0.2
171.88771	0.2
178.02556	0.2
179.03360	1.1
184.57051	0.2
193.04962	0.2
205.04985	25.0
206.05766	31.1
207.06528	1.0
220.07332	0.7
235.09671	100.0
236.09973	0.9
247.36923	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	235.0967
Annotation	Coumarsabin
Peak:m/z	Relative Intensity
53.03951	0.4
55.01857	0.3
55.05504	1.0
57.03426	0.5
57.07083	2.1
59.04997	0.3
67.05515	2.2
69.03426	1.1
69.07073	1.7
71.05000	1.5
79.05495	2.6
81.07065	4.2
83.04987	0.8
83.08603	0.5
85.06522	1.0
91.05473	2.0
93.07047	3.9
95.04977	0.9
95.08612	4.3
97.06539	1.8
97.18700	0.2
98.97572	0.3
99.04469	0.3
99.08096	0.3
105.07044	4.2
107.04955	0.4
107.08598	3.4
109.06521	1.9
109.10166	1.8
110.20184	0.2
111.04490	0.4
111.08070	1.3
117.07014	0.9
119.08596	4.4
121.06491	1.0
121.10132	2.5
123.04472	0.7
123.08096	2.1
123.11715	0.8
125.09637	0.7
127.07537	0.5
128.06229	0.6
129.07011	0.9
131.08565	1.6
132.95822	0.9
133.06497	0.4
133.10141	3.9
135.08052	1.1
135.11684	0.7
137.05917	0.3
137.09624	1.0
139.03906	1.4
139.11136	0.3
141.77060	0.3
142.07748	0.6
143.08553	2.0
144.09317	0.4
145.10132	1.0
147.04430	0.6
147.08066	1.0
147.11684	2.1
148.08858	0.4
149.08499	0.3
149.09624	1.2
149.13271	0.4
151.07552	0.6
151.11186	0.7
157.10168	3.1
159.07948	0.3
159.11691	3.5
161.09628	2.2
161.13257	1.3
163.11244	0.4
165.09193	0.4
165.12759	0.8
171.11734	0.7
173.05974	0.4
173.13293	0.7
174.96884	1.4
175.07620	0.4
175.11221	2.2
175.14818	3.1
177.12714	1.2
178.02557	0.3
179.03429	0.9
179.10703	1.6
189.09155	0.9
189.12762	0.6
189.16379	1.7
193.05049	0.5
193.08661	0.3
193.15919	0.6
199.14825	3.9
205.02998	0.6
205.04974	19.5
206.05765	24.5
207.06554	0.8
207.10251	0.4
217.08582	1.2
217.12456	0.6
217.15887	8.2
220.07310	0.4
235.09668	100.0
235.16937	13.7
235.20638	0.9
236.10028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
54.85362	0.5
55.05498	2.6
56.72165	0.6
57.07088	2.9
59.04990	1.4
59.63360	0.6
63.65920	0.6
65.03944	0.9
67.05507	6.8
69.03419	1.0
69.07069	3.4
70.21755	1.8
70.22184	1.2
71.05003	0.7
71.68519	0.7
72.08131	0.6
73.06545	1.2
76.29195	0.6
79.05495	3.2
81.07059	5.5
83.08607	1.2
85.06535	0.9
91.05474	6.8
93.07029	5.3
95.04959	1.6
95.08611	10.4
97.06534	0.7
97.10184	0.9
99.08105	2.4
105.07036	12.6
107.08604	7.9
109.06516	1.3
109.10172	7.9
111.08076	1.2
115.05444	1.4
116.06207	0.6
117.07025	48.5
119.08588	16.1
121.06509	1.5
121.10177	3.8
123.08083	1.4
123.11723	4.4
125.09620	2.3
129.07022	2.4
130.07805	3.2
131.08577	28.2
133.10107	4.7
133.16815	0.5
135.08063	1.9
135.11670	1.2
137.05934	0.8
137.09663	1.2
139.11177	2.4
141.07001	0.8
142.07770	1.8
143.08583	3.3
144.09351	4.1
145.06480	0.7
145.10138	34.3
147.11703	2.2
149.09636	4.4
149.13206	1.0
151.11279	1.1
157.10150	8.9
158.10945	1.0
159.08099	1.9
159.11703	100.0
160.12135	0.7
161.13336	0.9
163.03943	0.9
163.07539	0.7
163.11160	1.0
167.08612	0.7
171.11726	3.4
173.09642	1.7
173.13272	7.1
175.14764	1.4
177.09109	2.1
177.12686	1.1
186.13982	0.9
187.11150	0.8
187.14861	2.6
191.03467	1.3
201.16397	46.5
208.63992	0.7
215.10756	1.0
215.14348	2.1
215.17990	1.1
233.08052	2.8
233.11696	1.3
233.15417	12.0
233.18979	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	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
52.77898	0.8
53.03952	1.8
53.06744	0.8
54.07237	0.8
55.05516	4.7
57.07074	2.2
58.18960	0.9
59.04982	1.3
67.05508	4.3
68.97598	0.7
69.03433	6.0
69.07056	3.1
71.04987	2.1
71.52967	1.7
75.59010	0.7
77.59283	0.8
79.05495	31.1
81.07067	7.4
83.04964	2.2
83.08611	4.3
85.02927	1.4
85.06536	2.6
91.05473	6.7
93.07049	8.7
95.04967	4.1
95.08640	4.4
97.06526	1.4
105.04507	0.9
105.07028	12.6
107.04958	30.6
107.08601	11.2
109.06536	6.2
109.10115	2.2
111.08092	3.9
113.06029	1.4
117.06998	5.0
119.04864	0.9
119.08593	16.2
121.06523	3.3
121.10160	6.0
123.08062	2.9
123.11706	1.4
125.09633	3.0
128.65816	0.8
129.06979	2.6
130.07796	1.0
131.08572	13.6
133.06482	1.7
133.10144	9.3
135.08052	3.9
135.11681	1.8
137.09615	4.0
142.07782	2.4
143.01936	1.2
143.08597	2.7
144.09387	1.2
145.10133	19.2
147.06967	1.1
147.08073	14.2
147.11694	13.8
149.09644	7.7
149.13278	2.3
155.08531	1.1
156.09325	1.2
157.10153	7.6
158.10890	2.5
159.08078	2.8
159.11769	5.3
160.08827	1.2
161.02980	0.9
163.11221	6.4
169.10106	1.1
171.11710	2.3
173.09671	3.9
173.13258	12.5
175.11197	21.8
176.04509	1.3
177.09114	1.8
187.11139	1.1
187.14861	6.1
189.12711	8.5
191.14313	41.0
197.13295	3.4
201.16489	2.3
215.08650	1.4
215.14349	13.6
215.17950	1.7
233.07838	5.1
233.11617	3.2
233.15376	100.0
233.18674	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	233.1498
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
53.03945	1.0
55.05503	0.7
56.05041	15.9
56.96564	6.1
57.03443	3.0
58.06602	3.1
59.04992	0.8
61.02930	1.4
67.05511	1.0
69.03437	1.9
69.86381	1.3
69.86774	1.1
74.06084	100.0
75.04473	0.7
78.35527	0.5
79.05495	3.6
81.03429	5.0
81.07063	14.3
83.04984	4.5
84.04494	2.9
84.96050	0.7
85.02926	1.7
86.09710	21.0
89.00783	0.5
91.05489	14.7
92.39323	0.5
93.07018	2.3
95.04992	1.4
95.08616	1.6
97.02870	0.7
98.21504	0.6
98.97580	3.7
99.08122	0.7
100.99161	0.9
101.00915	0.5
101.06047	0.8
101.07165	1.3
103.03935	0.6
103.05456	1.3
105.07039	8.3
107.04955	4.3
109.06538	5.0
110.01315	0.5
110.97577	1.0
115.05398	0.5
116.98666	0.8
119.01865	1.6
120.05745	0.5
121.06512	26.9
123.08077	16.0
125.06002	0.6
128.02335	0.9
128.98676	1.0
132.10216	18.9
133.06493	4.6
135.08067	7.8
137.02834	0.5
141.09164	3.8
143.06937	0.6
144.98161	0.5
146.67462	0.5
146.99710	0.6
147.08055	26.5
151.07561	3.1
155.04672	1.6
158.99675	0.7
161.01283	0.5
165.09137	1.0
167.02870	0.7
169.08644	2.1
169.13423	1.9
173.11740	1.2
176.03438	0.5
183.10242	1.9
185.04028	0.8
187.14442	10.0
189.00743	0.8
190.98682	0.9
208.99745	1.1
215.13922	4.8
233.15059	14.1
240.22440	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01855	1.3
55.05491	1.0
56.05039	17.8
56.96556	4.1
57.03441	5.1
58.06583	4.2
58.22964	1.1
59.04977	1.6
61.02920	1.3
65.03917	1.8
67.05487	2.9
67.89194	0.9
69.03413	1.6
69.69258	1.1
70.91792	1.4
72.08132	1.1
74.06082	100.0
79.05495	11.2
81.03420	11.7
81.07059	37.3
83.04980	7.1
84.04504	2.5
85.02888	2.2
86.09709	22.7
86.14510	1.0
87.04478	1.1
91.05482	45.9
93.07047	5.4
95.04955	1.3
95.08595	3.5
98.97577	3.1
99.08025	1.4
101.07131	1.9
103.05471	1.7
105.04514	1.2
105.07033	20.3
107.04946	9.3
109.06512	12.6
110.97561	1.2
117.05510	1.3
117.07014	1.5
121.06508	66.4
123.08073	39.3
125.05984	1.6
126.12875	1.0
132.10208	20.3
133.06476	14.3
135.07121	1.7
135.08060	19.6
141.09100	10.3
142.07864	0.9
143.00151	1.4
147.08049	67.6
151.07555	9.1
165.09117	2.0
169.08589	3.3
169.13429	1.6
173.11679	3.8
183.10167	3.7
187.08684	3.1
187.14421	11.2
190.98708	1.2
198.93530	1.2
201.11192	1.5
214.92209	0.9
215.13928	6.4
233.11818	1.0
233.15251	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	233.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	23.1
71.21501	12.3
82.99812	13.4
87.62112	6.8
100.99117	12.7
101.00883	33.1
108.35154	7.0
108.76157	7.5
119.01910	30.6
127.02413	26.9
133.03474	10.8
134.24959	9.4
143.01924	16.3
145.03465	100.0
155.56776	8.9
157.03423	9.4
161.02998	19.8
163.04514	24.0
173.02950	36.4
175.04497	18.3
191.04024	57.3
208.99712	8.8
233.04991	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	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
50.89828	0.4
53.03941	0.9
53.98114	0.4
55.01863	2.0
55.05505	1.4
57.03458	0.6
57.07066	0.6
59.05000	0.7
62.14515	0.3
65.03930	0.6
65.44987	0.4
67.05511	2.5
68.99780	0.6
69.03431	2.2
69.07064	3.2
71.04984	1.4
71.52962	0.8
74.22340	0.4
77.03915	0.5
79.05074	0.6
79.05495	8.5
81.03430	0.7
81.07058	4.2
81.07484	0.7
83.04965	1.6
85.06542	0.5
87.00876	0.9
91.05480	8.6
93.07050	6.4
93.95436	0.4
95.04966	3.5
95.08617	2.4
97.02888	0.5
97.06557	0.9
98.97567	0.4
99.04467	2.4
99.77180	0.5
103.05473	1.1
105.04455	0.5
105.07032	19.1
107.04958	13.1
107.08589	3.3
109.06524	2.5
109.10154	0.9
111.04432	0.6
111.08118	0.4
115.05428	1.4
116.06242	0.8
117.07021	8.7
119.04949	6.7
119.07788	0.6
119.08582	6.0
121.06508	8.2
121.07369	0.4
121.10132	2.3
122.20646	0.4
122.73271	0.4
123.04419	0.6
123.07997	0.7
125.05982	0.8
127.07544	1.2
128.06221	2.0
129.07016	2.5
130.07794	5.8
131.04951	0.5
131.08574	6.4
133.06447	2.1
133.10115	2.2
135.04434	0.9
135.08080	2.5
135.11685	2.3
135.42128	0.4
137.05983	2.1
139.03903	1.6
141.07011	1.7
142.07809	0.9
143.08562	4.7
144.05728	0.5
144.09334	1.1
145.06482	3.4
145.10126	45.4
146.10605	0.4
147.08025	1.7
147.11705	6.5
148.08849	1.2
149.05989	0.8
149.09636	0.5
153.06956	0.6
154.07774	2.7
155.08548	2.0
156.09373	0.5
157.10109	1.3
158.07303	3.0
159.08090	3.1
159.11696	8.7
161.05991	0.7
161.09631	1.1
163.11183	37.0
169.10107	4.8
171.08064	1.0
171.11658	1.2
172.08809	1.5
173.09625	100.0
174.10034	0.7
175.07506	1.0
175.11166	0.8
177.12791	0.5
179.08612	1.3
181.06418	0.6
182.07324	1.1
187.11176	17.5
187.14867	1.6
189.09123	0.6
189.12746	3.2
191.10641	3.4
197.09654	4.6
205.08548	0.6
205.12195	2.3
205.15871	0.5
209.75978	0.5
215.10669	14.2
215.14236	1.2
233.08025	1.4
233.11737	20.6
233.15259	5.6
233.18938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1333
Annotation	Leiokinine A
Peak:m/z	Relative Intensity
55.05502	0.5
63.77839	0.3
67.05496	1.4
69.03416	0.4
69.07056	0.8
70.79816	0.8
79.05483	0.6
81.07045	1.4
91.05479	2.3
93.07036	1.2
94.06544	0.3
95.08601	0.6
97.06509	0.5
98.97563	1.1
105.07035	4.0
107.08582	0.6
108.08102	0.8
109.06517	0.4
109.10117	0.4
110.05972	0.3
115.05466	0.6
116.98627	0.3
117.07008	2.2
119.08593	3.2
121.06487	0.8
121.10162	0.4
128.06244	0.7
129.07005	1.5
130.07761	0.8
131.08585	4.2
132.08072	0.6
133.09177	0.4
133.10132	3.3
134.09685	0.6
135.08069	0.5
136.07571	3.0
141.06992	0.8
143.08569	0.9
144.05649	0.4
144.08200	0.6
144.09329	2.2
145.06471	1.6
145.10150	2.2
146.06032	0.4
146.07237	0.9
146.09599	0.8
147.06812	0.5
147.08034	0.8
147.10478	0.3
147.11623	0.6
149.09744	0.4
153.06921	0.4
154.07704	0.4
156.09363	0.5
157.06548	0.5
157.08826	0.6
158.07297	1.9
158.09612	0.8
158.99628	0.3
159.08076	2.7
159.11691	5.5
160.07567	2.4
160.08839	4.3
161.08347	3.0
161.09619	8.9
161.11935	0.4
161.13268	1.2
162.09167	3.0
162.12772	1.4
163.11212	1.5
169.10129	0.8
171.10425	1.1
171.40811	0.3
172.08791	1.3
172.11221	0.6
173.09621	1.9
174.09142	2.5
174.10396	0.6
174.12759	0.8
175.09921	4.1
176.10736	1.3
176.14320	2.1
178.12177	0.4
186.12744	1.0
187.11191	7.5
188.10600	1.6
189.11356	2.2
189.12819	1.2
190.12280	6.7
197.01144	0.3
198.01779	0.4
202.08623	0.8
202.12250	0.4
203.09392	2.2
204.10245	0.9
204.13849	6.5
214.12233	0.9
215.10722	2.5
217.10950	0.8
232.13330	100.0
233.13504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0653
Annotation	2,4,6-Trihydroxybenzophenone
Peak:m/z	Relative Intensity
53.03756	0.3
53.03952	3.1
55.01868	0.9
55.05505	0.8
57.03429	0.7
61.02909	0.4
67.01871	1.9
67.05470	0.3
67.09428	0.2
68.99802	1.3
69.03436	12.0
69.07064	0.9
69.21780	2.5
71.04993	1.2
72.32343	0.2
72.46489	0.2
73.77643	0.3
74.38340	0.2
77.03935	0.6
81.03423	6.3
81.07050	0.7
83.01350	0.5
83.08613	0.9
85.02447	0.3
85.02921	4.1
87.00835	2.8
91.05481	0.5
93.07033	0.6
93.53262	0.3
95.04977	2.0
97.02905	2.6
98.20718	0.5
99.04466	2.3
105.03399	29.4
105.04533	1.0
107.08616	0.4
109.02898	2.5
111.00795	0.4
127.03936	3.2
128.54300	0.2
133.10100	0.2
145.10182	0.4
153.01839	100.0
154.02226	0.3
157.06499	0.3
170.10751	0.3
171.02939	0.5
171.08090	0.3
171.11639	0.3
172.40234	0.2
185.05943	0.3
185.13292	0.3
213.03842	0.3
231.06557	34.6
231.13918	0.7
231.15903	0.6
232.06918	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1904
Annotation	ROLICYCLIDINE
Peak:m/z	Relative Intensity
50.40979	0.1
52.08205	0.1
67.05496	0.3
67.18092	0.1
69.03428	0.3
71.53284	0.2
75.61302	0.1
81.03409	0.3
81.07030	0.2
82.52499	0.1
85.02910	0.2
86.06055	0.3
95.08604	0.1
98.06059	0.2
99.82430	0.1
110.10493	0.3
119.08582	0.2
121.06541	0.1
121.10197	0.1
130.06487	0.6
131.07263	0.3
132.21013	0.1
144.08099	0.2
148.36998	0.1
148.97757	0.1
158.09621	1.0
172.11244	1.2
173.12000	2.3
174.12949	0.2
186.12770	1.4
187.13562	7.4
188.14380	0.9
200.14366	2.1
201.15091	0.4
202.15918	0.2
212.09152	0.2
212.16481	0.2
214.15913	8.5
215.16655	1.6
219.12682	0.2
228.17491	0.5
230.19044	100.0
231.19446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.2
55.05516	0.9
56.96568	2.9
60.08157	0.8
61.09238	0.7
63.58986	0.6
65.03954	0.7
67.05506	1.2
69.03429	1.6
69.07072	98.4
70.02959	2.9
70.06590	0.8
71.53392	1.1
72.08164	1.5
74.02445	21.3
81.03434	0.9
81.07053	0.8
83.04972	0.7
84.08161	1.2
84.96028	1.1
85.02931	0.8
86.06068	1.2
86.09698	1.8
88.03998	48.2
91.05489	9.1
92.05819	0.9
97.06544	5.1
98.06065	1.5
98.09681	0.9
98.97601	2.0
102.05556	0.9
107.08624	1.0
114.09156	2.0
115.07573	1.3
115.50351	0.7
115.92092	0.6
116.02669	1.4
116.03466	22.6
116.98653	1.0
119.04950	14.4
124.07590	1.3
124.99135	7.9
127.03282	2.1
128.07095	3.4
132.53168	0.7
134.04497	100.0
138.09982	1.1
140.10704	1.4
140.14368	3.6
143.00177	14.4
147.04420	55.2
148.04749	2.3
161.01236	8.5
166.08630	8.8
166.15892	0.7
167.00162	0.8
168.07393	2.7
170.99654	0.7
184.09666	8.0
185.01205	6.4
186.14877	6.5
189.00667	0.8
194.08101	1.2
198.74860	0.7
203.02278	3.3
207.04131	0.8
212.09178	8.4
212.12849	1.4
230.10252	68.1
230.17525	2.9
249.02872	3.1
253.85150	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.2
55.05516	0.9
56.96568	2.9
60.08157	0.8
61.09238	0.7
63.58986	0.6
65.03954	0.7
67.05506	1.2
69.03429	1.6
69.07072	98.4
70.02959	2.9
70.06590	0.8
71.53392	1.1
72.08164	1.5
74.02445	21.3
81.03434	0.9
81.07053	0.8
83.04972	0.7
84.08161	1.2
84.96028	1.1
85.02931	0.8
86.06068	1.2
86.09698	1.8
88.03998	48.2
91.05489	9.1
92.05819	0.9
97.06544	5.1
98.06065	1.5
98.09681	0.9
98.97601	2.0
102.05556	0.9
107.08624	1.0
114.09156	2.0
115.07573	1.3
115.50351	0.7
115.92092	0.6
116.02669	1.4
116.03466	22.6
116.98653	1.0
119.04950	14.4
124.07590	1.3
124.99135	7.9
127.03282	2.1
128.07095	3.4
132.53168	0.7
134.04497	100.0
138.09982	1.1
140.10704	1.4
140.14368	3.6
143.00177	14.4
147.04420	55.2
148.04749	2.3
161.01236	8.5
166.08630	8.8
166.15892	0.7
167.00162	0.8
168.07393	2.7
170.99654	0.7
184.09666	8.0
185.01205	6.4
186.14877	6.5
189.00667	0.8
194.08101	1.2
198.74860	0.7
203.02278	3.3
207.04131	0.8
212.09178	8.4
212.12849	1.4
230.10252	68.1
230.17525	2.9
249.02872	3.1
253.85150	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28712	0.3
52.48911	0.3
52.90832	0.2
54.98657	0.4
56.96569	28.3
57.03434	0.4
58.06586	0.3
60.95835	0.4
61.02930	0.6
69.03413	0.3
69.97879	1.2
70.06605	0.6
70.98120	1.3
71.95271	2.8
72.96050	1.4
74.97618	0.5
82.06589	0.5
83.97646	0.8
84.01205	0.3
84.96065	1.5
85.02918	0.7
86.09707	2.5
88.10271	0.3
88.99178	0.3
90.81439	0.3
91.05475	0.3
97.02892	0.5
97.99167	0.5
98.97591	100.0
99.97921	0.5
100.07614	0.8
100.99156	2.5
101.00884	0.9
102.00987	1.0
109.02859	0.3
110.97585	0.6
112.99149	1.0
116.00217	2.4
116.98628	38.4
117.09909	0.3
119.00121	0.4
119.01917	1.0
119.04973	0.3
120.02054	1.3
124.95548	0.4
124.99119	0.9
125.99148	0.5
126.02278	0.7
127.00716	0.4
128.98633	1.2
129.02214	0.4
131.00194	0.4
133.01692	0.3
133.84828	0.2
134.01271	0.9
134.99664	8.7
140.00226	0.8
140.03847	1.4
142.05380	1.4
143.00174	5.5
144.98105	0.4
145.03470	0.5
146.99655	1.7
147.04378	0.5
149.01187	0.4
153.00723	0.6
153.02246	0.4
158.01253	0.4
158.04913	1.7
158.33832	0.3
158.99641	0.5
160.06451	1.4
161.01254	2.8
161.02530	0.4
162.99210	0.6
165.00748	1.3
168.57986	0.3
169.99966	0.6
170.04907	1.0
170.99657	1.0
171.03323	2.2
171.49445	0.3
174.99088	0.5
176.05923	0.3
177.00699	0.3
178.07504	0.3
179.02269	0.4
183.01851	0.4
184.04553	0.3
186.04517	0.4
187.04404	0.3
188.01067	0.3
188.05977	2.2
188.97081	0.8
189.00742	7.0
189.02467	0.3
189.04335	6.1
193.00259	0.3
197.00374	0.4
198.00659	0.7
202.07410	0.5
203.04105	0.3
206.07010	5.1
206.98422	0.4
207.01819	6.9
207.05313	2.3
212.05956	1.0
213.04327	0.5
216.00505	0.4
224.08067	4.2
224.99019	0.3
225.02820	0.4
230.03453	0.5
230.07018	12.6
230.15919	1.9
231.05472	1.3
248.08075	14.9
249.06482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1802
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
53.03944	1.3
55.01867	2.6
55.05517	48.8
56.96565	2.5
57.03440	3.8
57.07079	6.0
59.05011	7.0
59.05249	1.2
63.33259	1.2
65.35159	1.1
67.05515	24.0
69.03434	14.9
69.07076	16.4
71.05004	9.7
71.20111	1.9
71.20437	1.3
79.05497	6.6
79.16624	1.2
80.14294	1.1
81.06594	1.6
81.07066	25.9
83.04988	50.7
83.08627	37.0
85.06555	22.4
87.04461	5.5
91.05486	3.4
93.07056	17.3
95.04948	6.8
95.08616	19.2
97.06522	3.2
97.10178	9.9
98.97598	12.0
99.08111	17.0
101.06028	10.3
105.07030	8.7
107.08606	31.7
109.06528	4.0
109.10167	79.3
111.08078	7.4
113.06034	2.5
116.98659	2.1
119.08604	9.3
121.10163	11.5
123.08115	2.9
123.11723	40.7
125.09644	19.5
127.11198	32.2
133.10141	10.9
135.11705	24.4
137.09627	3.3
139.11230	1.6
141.12773	2.0
145.10133	1.6
147.11702	4.2
149.13269	15.7
151.11212	13.1
151.14838	2.2
153.12785	4.1
155.10701	1.5
156.46761	1.1
158.99690	4.5
165.16393	1.3
167.13248	0.9
167.14340	41.0
169.12259	43.5
171.75609	1.1
175.14857	13.0
177.00786	3.5
185.15414	15.1
193.15880	18.8
211.13475	3.6
211.16949	100.0
219.59798	4.9
229.05046	1.5
229.08699	1.5
229.12296	1.5
229.15877	2.1
229.17958	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	229.1799
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
50.20349	1.2
50.69221	1.1
50.77261	1.2
53.03953	1.2
55.01874	2.7
55.05511	51.4
56.96570	4.9
57.03431	5.4
57.07080	6.1
57.74221	1.1
59.05004	10.1
61.02943	1.7
65.03938	1.6
67.05505	29.1
69.03429	16.8
69.07067	26.5
69.60825	1.5
70.06587	1.4
70.39086	1.5
70.83932	3.0
71.04992	11.2
79.05513	7.3
81.03451	2.9
81.06588	1.9
81.07059	30.8
83.04980	58.0
83.08623	38.9
83.09119	2.1
85.02899	3.5
85.06539	21.4
87.03902	1.2
87.04456	5.9
90.15267	1.1
91.05483	7.4
91.63973	1.3
93.07053	15.8
95.04961	8.1
95.08606	21.2
97.02883	2.7
97.06523	2.6
97.10165	9.1
98.20817	1.2
98.97580	13.4
99.00822	1.8
99.04408	1.4
99.08096	13.4
101.00896	1.4
101.06020	7.2
105.07030	10.8
107.08597	35.7
107.71307	1.2
109.06522	1.8
109.10159	82.0
111.08055	6.6
113.06014	3.0
115.05446	1.6
116.98632	4.6
119.01821	1.5
119.08611	9.1
121.10131	13.5
123.08074	2.9
123.11709	40.5
125.09632	18.6
127.03910	1.5
127.07573	2.1
127.11195	35.0
128.02301	1.8
129.07071	1.8
131.08592	3.4
133.10150	10.4
134.99693	1.8
135.11684	23.9
137.09627	2.3
137.13284	1.7
139.11172	2.3
145.10130	3.4
147.11703	6.1
149.13271	15.7
151.11200	10.8
151.14803	3.4
153.12746	4.4
155.10741	1.9
155.36946	1.2
157.10110	1.8
158.99678	5.0
165.12740	1.9
165.16376	1.5
167.14317	40.7
169.12239	44.3
173.13249	2.0
175.14815	10.4
177.00684	2.8
185.15387	15.0
193.12265	2.8
193.15881	17.9
211.13560	2.6
211.16934	100.0
220.10487	1.4
229.04971	3.2
229.08722	2.2
229.10587	1.9
229.15910	2.5
229.17838	19.0
229.19583	2.1
229.23607	1.5
241.11145	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.18
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
50.90585	1.5
51.74785	1.8
55.05513	16.1
57.07066	3.4
59.04999	2.7
65.73724	2.2
66.67636	1.5
66.68328	1.7
67.05506	21.3
69.07071	18.8
69.40643	3.5
69.41038	11.2
71.08622	1.6
79.05482	5.5
81.07066	28.2
83.04990	3.4
83.08621	14.8
85.06557	5.5
91.05489	4.6
93.07047	12.8
94.18317	1.5
95.08618	100.0
97.06508	2.9
97.10173	5.0
98.20786	3.1
98.97588	2.0
99.08082	2.3
100.29391	1.7
101.06034	9.5
105.07025	6.6
107.08607	16.6
109.10167	47.5
111.08095	4.3
115.07562	3.6
119.08583	13.2
121.10162	11.6
123.08086	2.8
123.11703	11.4
125.09612	3.6
131.73701	1.7
133.10173	11.6
135.11705	21.2
137.09636	5.7
137.13202	2.7
139.11157	5.4
147.11726	3.8
149.13251	8.6
151.11212	2.0
163.14835	19.5
165.16406	5.5
173.05930	3.7
175.14842	21.3
181.15874	20.4
193.15915	30.5
211.07550	1.7
211.16953	94.9
229.08609	6.2
229.17931	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	23.2
57.03427	12.3
59.04995	3.7
65.03957	2.9
67.05513	100.0
69.07084	5.7
70.28521	2.8
71.04997	6.7
79.05493	15.4
81.06651	3.8
81.07066	42.6
83.04965	4.5
83.08601	7.8
85.06538	3.0
91.05501	32.9
91.27332	2.9
93.07048	38.2
95.04985	7.6
95.08610	35.0
98.98412	2.6
99.00814	5.8
101.30515	3.6
105.07041	43.6
107.04961	3.4
107.08600	29.8
109.06517	4.8
109.10168	88.4
113.80269	3.2
115.96443	7.8
117.07001	22.2
119.08595	39.0
121.06492	7.1
121.10156	15.7
123.08057	3.5
128.06216	6.6
129.07019	13.3
130.07738	4.3
131.08574	50.2
131.23041	3.1
133.10120	16.9
135.08078	3.8
137.09587	4.9
141.06953	5.1
143.08583	27.8
144.09268	4.5
145.06512	3.8
145.10143	68.6
146.10889	4.4
147.08070	6.3
147.11679	8.7
149.09601	4.7
155.08554	9.8
155.10626	7.0
156.09360	4.2
157.10152	13.7
159.08037	9.9
159.11711	25.7
161.09642	5.0
167.08594	5.5
169.10138	16.0
171.11693	21.8
173.09637	21.8
173.11748	30.5
173.13286	11.5
174.10408	8.1
181.10155	6.1
182.10876	3.1
183.11658	7.9
185.13278	32.4
187.11229	5.5
187.14819	25.1
196.12376	3.6
201.12657	4.0
201.16386	26.0
211.14816	30.7
214.13490	3.8
229.04997	4.1
229.14241	18.4
229.16110	88.2
229.19395	15.2
229.23524	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	229.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
53.99559	0.6
55.05517	9.9
57.03425	1.5
57.07069	3.0
65.03967	1.2
67.05515	13.6
69.03419	1.9
69.07082	6.6
71.05001	4.0
71.42097	1.5
77.03957	1.2
79.05501	16.1
81.07066	26.3
83.04971	2.1
83.08605	1.2
85.06567	0.7
87.56829	0.7
88.93000	0.7
91.05486	25.1
93.07050	27.8
95.04975	3.7
95.08613	24.2
97.06543	1.8
97.10125	1.0
99.00816	5.9
103.05462	1.0
105.07039	41.0
107.04935	2.8
107.08607	23.5
109.06497	3.8
109.10173	9.0
111.93544	0.7
115.05458	2.9
115.96405	0.8
116.06236	1.7
117.01882	1.1
117.07025	17.4
119.08592	28.8
121.06504	3.7
121.10145	12.3
123.08080	3.1
124.09423	0.7
128.06213	6.1
129.07014	11.5
130.07800	6.0
131.08580	38.5
133.06493	1.4
133.10144	18.5
135.08069	5.4
135.11678	2.5
141.07019	7.6
142.07791	3.9
143.08572	26.6
144.09312	3.2
145.06487	2.2
145.10133	55.2
146.10834	2.8
147.08023	4.2
147.11708	8.5
149.09628	1.9
151.14151	0.8
153.06985	1.9
154.07777	3.5
155.08557	15.3
156.09351	3.7
157.10147	16.0
158.07269	2.0
159.08064	5.3
159.11708	32.3
161.09619	3.7
167.08549	4.9
168.09398	4.1
169.10132	29.7
169.11581	1.2
170.10925	3.0
171.11699	19.2
172.12292	2.2
173.09645	16.4
173.11842	0.6
173.13275	12.5
174.10384	4.4
175.11203	1.3
181.10159	4.8
182.10886	3.5
183.11717	8.9
185.13278	21.5
186.14043	1.6
187.11243	6.4
187.14862	17.4
196.12479	8.0
198.14050	2.2
199.14851	7.4
201.12782	2.6
201.16408	28.2
211.14836	30.8
214.13474	1.0
229.15916	100.0
229.19514	29.6
229.22928	2.3
230.16405	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.01867	9.8
55.05509	11.7
57.03423	7.2
57.07054	6.5
67.05505	46.1
69.07057	17.8
69.84103	4.5
71.04979	4.4
72.90617	4.1
74.93329	4.3
79.05482	12.4
81.07055	78.7
83.08629	6.9
85.06537	4.9
91.05466	25.7
93.07009	15.0
95.08587	18.0
97.06509	8.4
99.08147	4.3
105.07018	35.1
107.08580	12.6
109.06535	11.4
109.10133	24.3
119.08574	29.7
121.10143	18.0
123.11697	36.3
127.07519	6.6
133.10135	7.6
147.11688	100.0
157.10103	7.0
165.12779	39.2
173.11737	4.5
175.11169	12.5
193.12230	12.9
211.13330	4.4
229.04878	4.6
229.14314	40.7
229.23506	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	229.1435
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
52.97327	1.1
53.96360	1.0
55.05512	8.6
57.03202	1.5
57.03441	17.4
57.07056	1.9
59.04998	6.2
65.03948	1.6
66.51801	0.9
67.05508	100.0
69.07054	4.3
69.07381	1.0
69.64454	1.7
69.64854	5.6
71.04983	3.4
79.05483	1.8
81.07056	12.8
83.08623	8.6
85.06525	3.9
89.98891	0.9
91.05476	5.4
93.07040	3.0
95.04999	1.0
95.08604	6.5
98.20772	1.3
107.08579	2.0
109.10161	90.6
110.10550	1.2
111.08067	3.6
119.08590	7.9
127.11178	1.3
131.08589	1.1
137.09644	5.0
145.10088	1.6
155.10718	7.8
173.11757	31.2
206.85847	1.0
209.88200	1.1
229.14328	42.4
229.19362	1.5
229.23456	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	229.1438
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.01885	6.8
55.05518	8.1
57.03436	5.4
57.07070	2.2
57.83944	1.3
67.05514	34.3
69.03429	1.4
69.07079	8.8
70.52761	1.1
71.04998	2.7
71.54181	1.7
76.78296	1.1
76.90006	1.1
79.05509	9.3
81.07066	47.5
81.61315	1.2
83.04971	5.6
83.08617	7.0
85.02913	1.7
85.06534	3.3
88.91929	1.0
91.05492	22.4
93.07057	10.7
95.04967	4.3
95.08623	13.4
97.06544	9.3
97.10180	1.1
98.97554	1.9
99.00801	1.9
99.08121	2.7
105.07037	23.9
107.04943	3.2
107.08622	9.6
109.06504	4.6
109.09497	1.4
109.10170	23.6
113.05989	1.5
117.06981	2.2
119.08591	25.8
121.09474	1.3
121.10165	15.0
123.08028	2.7
123.11727	19.9
128.40616	1.2
129.07005	6.0
131.08578	5.3
133.10152	8.3
135.08043	1.5
137.13286	2.2
142.07799	2.0
145.06474	1.5
145.10104	2.7
146.68935	1.1
147.07982	1.5
147.11708	68.6
149.09601	2.6
155.08589	2.7
157.10153	17.6
159.11650	3.8
165.12781	30.6
170.10904	1.1
171.11684	1.7
173.09628	2.7
173.11833	6.6
173.13113	2.1
175.11223	17.2
183.13722	1.4
187.11203	1.7
193.12271	6.7
205.98795	1.4
209.77594	1.1
211.07591	1.5
211.13202	2.3
229.04900	2.5
229.14314	100.0
229.17914	5.4
229.19539	4.0
229.23454	2.8
230.19051	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	229.1437
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.01869	10.8
55.05515	18.0
56.96578	4.3
57.03429	5.9
57.07076	4.5
57.41348	3.0
59.05010	3.1
67.05196	2.7
67.05519	38.2
69.03426	10.0
69.07094	15.7
69.23113	20.6
69.23516	6.4
70.06589	3.6
71.05003	6.1
79.05513	17.4
81.03426	6.0
81.07069	87.8
83.04985	4.8
83.08620	12.0
85.06542	8.4
91.05497	25.9
93.07065	20.8
95.08621	23.7
97.06538	8.9
98.21548	7.0
98.97608	14.0
99.00849	3.2
99.04452	3.3
99.08081	5.7
100.11308	3.9
105.07057	32.4
107.08629	15.1
109.06533	6.1
109.10164	18.7
111.08086	4.0
113.05997	3.1
119.08613	31.1
121.10123	22.5
123.11715	37.3
125.09618	6.1
131.08655	6.1
133.10191	5.8
135.11713	5.3
145.10057	5.8
147.11716	100.0
157.10147	12.2
158.99698	4.2
165.12764	44.4
175.11220	10.6
177.00729	3.6
183.13885	4.0
183.15794	7.9
193.12265	8.5
195.07901	3.1
211.07579	2.9
211.13348	3.4
211.15224	9.2
219.58504	3.1
229.04936	8.4
229.08749	4.9
229.10672	4.7
229.14238	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	229.0972
Annotation	CHEBI:132265
Peak:m/z	Relative Intensity
55.05503	0.9
56.89780	0.3
67.05502	1.6
69.03405	0.5
69.07059	0.6
69.83172	1.8
70.06567	0.4
71.04978	0.7
79.05489	0.9
81.03378	0.5
81.07043	0.7
81.39323	0.4
83.04982	0.5
83.08576	0.4
85.02902	0.6
85.06539	1.6
91.05466	1.5
93.07005	0.4
95.04977	0.8
95.08590	0.5
96.05300	0.3
97.02876	0.8
97.06542	0.6
98.20850	0.7
99.00829	0.3
99.04471	0.3
99.08109	0.4
101.01715	1.0
105.07014	0.9
107.04951	0.4
107.08588	0.7
109.06504	0.6
109.10129	0.8
111.08039	0.5
115.05455	2.4
117.05688	0.4
118.06515	1.1
119.04974	0.6
119.08599	1.1
121.06471	0.4
121.10126	0.4
123.04382	0.4
123.08054	0.6
123.11703	0.3
124.99098	0.6
129.07025	0.5
130.06544	0.4
131.08492	0.4
133.06528	0.4
133.10138	0.7
137.09543	0.4
142.06567	2.1
144.08090	1.2
144.15619	0.4
146.06021	3.3
147.04419	2.4
156.08043	0.4
159.09166	1.1
167.07053	4.7
168.06851	0.9
170.06039	0.9
182.08374	1.1
183.09183	100.0
184.09724	0.7
185.01178	0.5
185.10831	0.4
188.07013	2.0
201.10272	0.5
229.09738	73.0
229.23653	0.6
230.10086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23481	1.1
51.70719	1.2
55.01882	1.8
55.05518	1.7
56.96300	1.7
56.96567	26.9
57.03444	12.2
58.06602	3.9
59.05006	1.4
60.08170	6.6
60.69189	1.2
60.95870	1.3
61.02929	35.0
67.05489	1.5
68.98306	1.4
69.03432	6.2
69.47266	6.2
69.47675	2.8
70.06593	29.9
70.98109	5.6
70.99854	4.1
71.01346	1.4
71.04991	2.7
71.95255	2.2
72.08175	1.6
72.96040	1.9
73.02904	4.5
74.03768	1.3
74.97586	1.5
75.04464	1.9
77.00909	1.3
81.03416	5.1
82.06570	1.9
82.99841	8.4
84.96040	6.7
85.02914	10.5
86.03687	1.9
87.00837	1.3
87.04462	3.9
88.99154	2.8
89.00811	1.9
90.01540	1.5
91.02420	1.1
93.13046	1.2
95.01331	2.8
96.01621	2.4
97.02893	4.3
97.96815	2.5
98.21564	2.7
98.97592	24.7
99.04469	2.8
99.97900	1.5
100.02530	2.2
100.07607	4.1
100.99132	2.3
101.00888	67.5
101.02551	2.6
105.02081	1.6
109.02879	4.5
110.01279	5.3
110.97561	6.0
111.02067	1.3
112.99136	3.5
113.00857	3.7
113.02357	4.2
114.05491	2.2
114.06660	2.8
115.00665	1.6
115.02434	5.7
115.03923	3.2
116.01176	1.7
116.07088	3.6
116.98628	6.5
117.02038	4.1
117.98970	1.5
118.01000	2.2
119.01921	89.9
120.01978	1.7
121.01668	1.7
124.07572	3.6
124.95479	2.6
124.99118	5.5
125.01740	1.8
125.99466	1.3
126.02589	11.4
126.98766	5.6
127.03920	4.3
127.98863	1.6
128.02307	7.5
128.98615	5.2
129.01849	1.5
131.00146	1.9
131.01888	7.9
132.00781	1.5
133.01698	2.2
133.03473	12.2
134.02225	1.3
134.99661	2.6
135.01279	1.4
135.03102	13.1
137.02951	10.4
140.98618	3.7
141.01279	4.1
142.03526	2.2
142.08646	26.0
143.00160	7.9
143.01868	3.5
144.03604	5.5
144.98120	2.5
144.99852	8.9
145.01637	2.3
145.03482	3.3
145.98453	1.3
145.99989	1.9
146.99643	4.0
147.01405	1.9
148.01942	1.5
148.03882	2.2
150.01755	1.8
151.04529	2.5
152.35416	1.3
153.01228	2.1
154.98344	1.8
155.00177	2.0
155.02875	1.9
155.54317	1.4
157.01714	2.3
157.03433	1.7
158.99637	5.2
159.03226	1.5
160.02074	2.4
161.01237	5.9
161.02980	6.5
162.01714	2.4
162.99138	2.3
163.99434	1.7
168.01781	1.4
168.98451	2.0
168.99843	17.5
169.02576	5.7
169.04933	1.5
170.08235	2.2
170.99747	1.9
172.97739	1.5
172.99342	4.0
173.01193	2.0
173.02933	2.5
173.99464	3.6
174.99109	1.9
175.02647	2.6
175.04579	1.9
177.00832	1.3
177.02455	4.4
177.04172	2.0
178.03101	2.8
178.04691	1.7
179.02119	1.7
181.02704	1.4
183.02382	3.0
183.06516	3.3
184.03087	1.4
185.03880	3.0
186.99330	2.1
187.00891	30.3
189.00725	3.2
189.02379	1.6
191.00369	2.0
191.02243	1.8
193.05115	1.8
194.04494	2.8
196.99326	8.7
197.01135	5.5
199.03575	1.8
201.00743	2.3
205.00201	1.9
205.01964	3.2
207.01735	2.4
208.04280	1.5
211.03996	1.3
215.00369	33.8
215.02130	1.9
219.01691	2.0
220.04196	7.3
223.04535	1.6
229.05157	6.9
229.15485	100.0
233.03424	1.6
247.02963	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23481	1.1
51.70719	1.2
55.01882	1.8
55.05518	1.7
56.96300	1.7
56.96567	26.9
57.03444	12.2
58.06602	3.9
59.05006	1.4
60.08170	6.6
60.69189	1.2
60.95870	1.3
61.02929	35.0
67.05489	1.5
68.98306	1.4
69.03432	6.2
69.47266	6.2
69.47675	2.8
70.06593	29.9
70.98109	5.6
70.99854	4.1
71.01346	1.4
71.04991	2.7
71.95255	2.2
72.08175	1.6
72.96040	1.9
73.02904	4.5
74.03768	1.3
74.97586	1.5
75.04464	1.9
77.00909	1.3
81.03416	5.1
82.06570	1.9
82.99841	8.4
84.96040	6.7
85.02914	10.5
86.03687	1.9
87.00837	1.3
87.04462	3.9
88.99154	2.8
89.00811	1.9
90.01540	1.5
91.02420	1.1
93.13046	1.2
95.01331	2.8
96.01621	2.4
97.02893	4.3
97.96815	2.5
98.21564	2.7
98.97592	24.7
99.04469	2.8
99.97900	1.5
100.02530	2.2
100.07607	4.1
100.99132	2.3
101.00888	67.5
101.02551	2.6
105.02081	1.6
109.02879	4.5
110.01279	5.3
110.97561	6.0
111.02067	1.3
112.99136	3.5
113.00857	3.7
113.02357	4.2
114.05491	2.2
114.06660	2.8
115.00665	1.6
115.02434	5.7
115.03923	3.2
116.01176	1.7
116.07088	3.6
116.98628	6.5
117.02038	4.1
117.98970	1.5
118.01000	2.2
119.01921	89.9
120.01978	1.7
121.01668	1.7
124.07572	3.6
124.95479	2.6
124.99118	5.5
125.01740	1.8
125.99466	1.3
126.02589	11.4
126.98766	5.6
127.03920	4.3
127.98863	1.6
128.02307	7.5
128.98615	5.2
129.01849	1.5
131.00146	1.9
131.01888	7.9
132.00781	1.5
133.01698	2.2
133.03473	12.2
134.02225	1.3
134.99661	2.6
135.01279	1.4
135.03102	13.1
137.02951	10.4
140.98618	3.7
141.01279	4.1
142.03526	2.2
142.08646	26.0
143.00160	7.9
143.01868	3.5
144.03604	5.5
144.98120	2.5
144.99852	8.9
145.01637	2.3
145.03482	3.3
145.98453	1.3
145.99989	1.9
146.99643	4.0
147.01405	1.9
148.01942	1.5
148.03882	2.2
150.01755	1.8
151.04529	2.5
152.35416	1.3
153.01228	2.1
154.98344	1.8
155.00177	2.0
155.02875	1.9
155.54317	1.4
157.01714	2.3
157.03433	1.7
158.99637	5.2
159.03226	1.5
160.02074	2.4
161.01237	5.9
161.02980	6.5
162.01714	2.4
162.99138	2.3
163.99434	1.7
168.01781	1.4
168.98451	2.0
168.99843	17.5
169.02576	5.7
169.04933	1.5
170.08235	2.2
170.99747	1.9
172.97739	1.5
172.99342	4.0
173.01193	2.0
173.02933	2.5
173.99464	3.6
174.99109	1.9
175.02647	2.6
175.04579	1.9
177.00832	1.3
177.02455	4.4
177.04172	2.0
178.03101	2.8
178.04691	1.7
179.02119	1.7
181.02704	1.4
183.02382	3.0
183.06516	3.3
184.03087	1.4
185.03880	3.0
186.99330	2.1
187.00891	30.3
189.00725	3.2
189.02379	1.6
191.00369	2.0
191.02243	1.8
193.05115	1.8
194.04494	2.8
196.99326	8.7
197.01135	5.5
199.03575	1.8
201.00743	2.3
205.00201	1.9
205.01964	3.2
207.01735	2.4
208.04280	1.5
211.03996	1.3
215.00369	33.8
215.02130	1.9
219.01691	2.0
220.04196	7.3
223.04535	1.6
229.05157	6.9
229.15485	100.0
233.03424	1.6
247.02963	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	228.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90499	0.7
53.03947	1.3
55.01873	1.4
55.05508	1.3
56.96568	100.0
57.03440	8.9
59.04990	0.8
60.95855	1.1
61.02930	9.1
69.03430	6.5
69.51753	0.7
70.06587	0.9
70.98130	9.1
70.99839	1.1
71.01358	1.2
71.04995	2.2
71.52339	0.9
71.52726	1.1
71.95272	4.9
72.08140	1.4
72.93786	2.0
72.96041	4.4
73.02913	5.9
74.97612	3.1
80.24483	0.7
81.03416	3.6
82.01442	2.2
82.06126	1.2
82.06587	15.5
84.08145	3.0
84.96037	27.8
85.02909	8.0
86.03686	2.4
87.04460	2.6
88.99155	3.2
89.00798	0.9
95.04967	0.8
97.02901	5.8
97.96799	1.2
97.99188	1.4
98.97588	82.9
99.04472	1.6
99.97920	0.9
100.02493	1.6
100.05196	1.6
100.07619	28.7
100.99166	4.1
101.00874	5.2
102.97034	1.6
103.00620	0.8
105.32645	0.8
109.02891	3.0
110.01282	2.4
110.97577	5.7
111.00278	0.8
112.99141	1.8
113.00848	1.3
113.96408	1.8
115.00705	27.6
115.02430	1.7
116.98626	36.6
117.01925	2.4
119.00177	0.8
119.01894	10.2
120.08838	0.7
124.01005	1.0
124.99132	10.7
126.97044	9.4
126.98701	1.4
127.01566	1.6
127.03927	2.2
128.02332	1.7
128.98642	5.1
129.02069	0.8
129.03923	0.7
131.00179	2.1
131.01874	2.6
132.00807	1.1
133.01718	11.7
133.03413	3.7
134.99649	7.6
137.02859	2.7
137.05913	1.0
138.00789	1.4
138.02278	1.0
140.00230	1.2
140.98611	9.5
140.99605	1.3
142.08641	1.0
143.00179	16.7
143.01833	1.9
144.98094	33.6
144.99870	2.0
145.01625	1.8
145.03505	1.7
146.02306	0.9
146.99706	6.6
147.00739	0.9
147.01315	1.2
147.03287	1.4
147.04420	2.0
148.02031	1.0
149.01257	2.2
149.03784	1.1
150.00749	1.2
151.02742	0.8
153.01845	2.3
154.02080	2.4
154.96512	1.5
155.00185	0.9
156.03342	30.6
156.98114	2.1
157.03583	1.7
157.98897	1.3
158.53265	1.3
158.99667	28.1
159.01091	1.5
159.03096	1.3
161.01239	13.9
161.02922	2.4
162.99153	58.3
163.04440	1.2
165.00772	3.2
166.99428	1.0
167.03795	1.1
167.53839	2.0
168.01794	11.6
168.03360	13.6
168.04466	1.3
168.98132	2.0
170.99696	2.7
172.97589	3.0
172.99371	2.6
173.01147	1.7
174.01874	2.4
174.04404	18.3
174.99141	1.8
175.99901	1.9
176.54350	1.4
177.00725	24.4
177.02341	10.0
177.04005	1.8
179.02296	2.4
181.00232	19.3
182.06631	1.4
183.02425	1.0
184.02831	1.3
184.05856	1.1
185.01237	1.1
185.03015	1.5
186.00789	1.7
186.02972	1.8
186.04399	38.4
186.99159	11.9
187.00870	2.1
187.02699	1.4
187.04428	1.5
188.53166	1.5
189.00690	2.3
189.02385	2.1
190.98714	1.8
191.00395	1.5
191.02199	1.1
191.03839	1.0
195.01727	2.0
196.00961	6.2
198.02921	1.8
198.04651	1.1
201.00697	1.5
201.02446	1.1
203.00398	1.1
203.04100	0.9
204.05452	16.8
205.00212	34.8
205.01828	2.0
205.03679	1.6
207.05298	5.5
208.05016	1.5
210.02747	1.0
210.06166	1.4
214.01939	1.9
216.04390	1.9
216.05890	2.6
217.05508	2.1
218.00177	0.9
219.03510	1.5
219.05333	1.0
223.01259	37.9
228.01788	1.7
228.05495	7.7
228.07501	9.7
228.13429	1.0
229.15482	1.9
232.99846	1.0
235.06625	1.6
237.02795	2.0
241.02312	2.7
246.02844	1.4
246.06381	3.3
246.08488	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28660	0.4
53.03960	0.5
55.05273	0.5
55.05513	6.4
56.47152	0.3
57.07071	0.9
57.14856	0.4
59.33820	0.4
65.03925	0.5
67.05516	4.5
69.03419	0.6
69.07066	3.6
71.04985	0.3
71.53038	0.5
79.05496	7.7
81.07060	19.1
83.04972	0.4
83.08614	1.6
91.05482	7.8
93.06480	0.6
93.07050	9.1
95.04973	0.9
95.08607	9.8
97.06541	0.5
97.10157	1.3
99.98617	0.3
100.11250	3.2
103.05480	0.4
105.07037	13.6
107.08596	6.8
109.10154	3.4
111.08058	0.4
113.96427	0.5
115.05443	1.3
117.07008	4.9
119.08584	9.8
121.10131	4.1
125.09630	1.1
128.06200	3.6
129.07007	8.7
130.07796	1.4
131.08571	13.3
133.10136	13.0
135.08057	0.7
135.11688	1.2
141.07011	1.2
142.07779	4.4
143.08568	24.4
144.09308	1.1
145.10133	17.4
145.11298	0.8
146.10928	1.1
147.11679	6.5
149.09555	0.4
155.08511	1.6
156.09351	2.2
157.10132	20.3
158.10866	0.5
159.11702	7.4
161.13185	0.4
163.11136	0.5
169.10202	2.5
170.10910	1.7
171.11691	22.8
172.12469	2.2
173.09680	0.5
173.13263	1.3
179.08592	0.4
182.12424	0.4
183.11734	2.9
184.12459	1.8
185.09615	0.5
185.13260	14.1
191.14305	0.5
197.13295	1.3
198.14082	2.9
199.14841	6.7
209.16635	0.5
212.15648	1.0
225.16504	0.5
227.14288	3.0
227.17949	100.0
228.18257	0.8
229.45265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64999	0.3
53.03946	0.8
55.05510	4.0
56.41132	0.3
57.07066	0.9
67.05514	2.9
69.07078	2.6
71.07021	0.6
71.07343	0.5
77.03905	0.3
79.05498	7.3
81.07062	20.9
83.08610	1.5
85.88634	0.4
91.05490	7.3
92.52787	0.4
93.06478	0.6
93.07047	7.9
95.04989	0.5
95.08614	8.5
97.10165	1.0
100.11227	0.6
103.05479	0.4
105.07037	12.3
107.08604	5.9
109.10159	3.0
115.05453	0.8
117.07011	4.1
119.08588	9.8
121.10174	2.7
128.06224	3.5
129.07010	8.0
130.07780	1.4
131.08577	13.0
133.10146	14.2
135.11688	1.5
141.07016	1.0
142.07777	4.8
143.08572	25.8
144.09299	1.4
145.10132	16.1
146.10916	1.1
147.11693	6.1
155.08554	0.8
156.09352	2.8
157.10138	21.3
159.11708	7.8
161.13188	0.5
169.10167	2.3
170.10945	1.8
171.11702	23.8
172.12486	2.2
173.13275	0.6
183.11705	2.3
184.12444	1.1
185.13274	13.2
186.13947	0.6
197.13242	1.2
198.14081	3.0
199.14841	6.1
212.15596	1.3
227.17957	100.0
228.18327	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1644
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03937	1.6
54.91658	0.9
55.01863	2.0
55.05521	8.5
55.40475	0.9
56.96561	1.7
57.03436	6.9
57.07083	5.2
59.05015	4.8
61.02860	1.1
65.03937	2.5
67.05184	1.2
67.05511	16.4
68.99796	1.1
69.03439	5.5
69.06739	0.9
69.07079	14.0
71.05006	23.0
71.53149	1.3
72.93771	3.2
73.02920	1.4
73.06543	1.8
75.04485	1.3
79.05502	16.5
81.03414	2.9
81.07066	18.5
83.04995	9.0
83.08640	8.2
85.02901	2.3
85.06558	39.1
85.46703	1.1
86.09708	3.4
88.78276	0.9
91.05489	13.1
93.06493	1.5
93.07057	27.0
95.04982	100.0
95.08621	12.8
97.02868	1.5
97.06546	21.7
97.10172	6.0
98.97557	1.2
99.04468	13.7
99.07507	1.2
99.08111	21.8
100.11261	5.1
101.06004	1.1
103.05456	1.7
105.06392	1.5
105.07050	16.1
107.04980	6.5
107.07877	1.9
107.08607	38.2
109.06537	17.7
109.10173	10.7
111.04436	6.1
111.08095	8.0
111.11695	1.5
113.06008	2.8
113.09634	1.6
113.96426	5.4
115.07568	5.9
117.07014	3.5
119.08601	13.3
121.06522	10.5
121.09340	1.6
121.10158	25.3
123.04431	4.1
123.08100	5.0
123.11726	5.1
125.06016	4.5
125.09653	10.3
127.03873	1.1
127.07585	8.4
129.07007	2.9
131.04947	1.9
131.08577	23.6
131.97418	3.8
133.10152	25.8
135.08080	11.3
135.11694	8.0
137.05962	4.2
137.09637	4.8
139.03899	4.5
139.07558	5.2
139.11185	9.6
141.05396	1.5
143.00204	1.5
143.08640	1.8
143.10703	6.1
145.10146	11.9
147.08041	2.2
147.11719	8.0
148.05159	1.3
149.05986	6.4
149.09644	22.8
149.13280	7.3
151.03899	2.1
151.11154	4.1
152.07088	1.5
153.05501	1.5
153.09132	33.1
153.12740	1.6
155.07037	2.6
163.03873	3.3
163.07588	6.7
163.11226	10.3
163.14854	5.2
165.05449	3.0
165.09106	3.9
165.12743	3.4
167.07062	27.3
167.10709	12.5
171.10197	17.3
173.09645	2.5
173.13263	11.3
174.02615	1.6
177.05522	4.5
181.04936	3.8
181.06447	1.5
181.08597	1.6
183.03058	3.4
183.06554	9.4
183.53224	1.3
185.01349	0.9
191.07028	1.8
191.10690	20.5
191.12445	1.7
191.12775	1.1
191.14337	11.7
195.06477	3.0
197.01173	2.5
209.08179	7.9
209.11749	18.3
209.15359	24.9
225.99612	1.2
227.07039	1.9
227.09135	14.5
227.12886	11.5
227.16414	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Blumenol B
Peak:m/z	Relative Intensity
55.01868	3.4
55.05511	15.5
57.03427	7.4
57.07072	7.8
59.04990	6.7
67.01848	2.1
67.05505	15.3
69.03429	15.0
69.07079	21.3
69.55953	7.0
69.56353	5.7
71.04992	20.5
77.26344	2.0
79.05489	14.0
81.07060	29.7
83.04991	17.3
83.08600	11.8
85.06554	12.8
87.04455	2.4
91.05477	9.3
93.07052	39.2
95.04971	100.0
95.08613	30.7
97.03033	2.1
97.06542	21.5
97.10188	6.5
98.97603	2.5
99.04460	17.1
99.08102	32.4
100.11272	8.5
101.06013	6.5
105.07054	15.7
107.04987	2.7
107.08599	38.0
109.06514	22.3
109.10167	18.8
111.04415	3.5
111.06822	2.4
111.08090	8.7
111.11745	2.5
113.05995	2.3
113.09600	10.5
115.05461	2.1
115.07576	9.3
117.07024	4.2
119.08582	10.0
119.41605	2.3
121.06481	5.0
121.09327	3.3
121.10156	44.4
123.04465	3.2
123.08033	10.1
123.11715	23.6
123.42085	2.0
124.11243	2.8
125.06045	2.3
125.09630	43.9
126.12727	2.3
127.07578	18.4
131.08571	6.0
133.10136	32.8
135.08080	10.7
135.11685	11.4
137.09618	3.7
137.13258	3.0
138.11992	2.1
139.07571	2.9
139.11189	14.7
143.10709	4.5
145.10130	3.4
147.11653	11.8
149.06015	2.4
149.09651	25.5
149.13263	19.3
151.11171	23.0
153.09097	38.4
153.10321	2.7
153.12625	2.3
161.13280	4.7
163.14807	10.8
165.12735	6.2
167.07048	5.6
167.10678	32.2
171.10213	10.7
173.13304	17.3
177.05652	3.0
179.14325	8.3
181.04996	2.2
191.14314	26.8
197.15427	11.9
209.08168	14.3
209.15346	39.7
227.12880	3.2
227.16397	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03938	2.0
55.01857	2.6
55.05518	9.1
55.19467	1.4
57.03430	5.6
57.07059	4.1
59.04990	3.3
61.56469	1.1
67.05524	8.5
69.03410	5.1
69.07072	9.7
69.54199	1.1
71.04659	1.7
71.04993	19.3
71.22237	2.6
73.02916	7.4
79.05492	11.2
81.03378	2.0
81.07053	15.1
83.04945	3.6
83.08631	6.5
85.02887	1.7
85.06562	8.4
86.09694	1.7
89.28403	1.1
91.05496	8.7
93.03302	1.1
93.07055	21.6
95.04972	100.0
95.08065	1.5
95.08607	18.1
97.05927	1.6
97.06534	24.1
97.10169	2.6
97.55320	1.3
98.97564	1.4
99.04459	20.2
99.07513	1.4
99.08099	21.0
99.26057	1.3
100.11267	8.7
103.05424	1.5
105.07035	10.1
107.04946	2.9
107.08599	24.2
109.06528	20.2
109.10165	11.0
111.04460	1.7
111.08061	6.2
113.02390	1.6
113.05945	1.9
113.09608	1.5
113.96382	1.3
115.06820	1.8
115.07574	26.0
117.06918	1.5
119.08575	8.5
121.06466	5.3
121.10147	19.8
123.04408	4.9
123.08022	6.1
123.11700	6.6
125.02332	1.7
125.05973	2.7
125.09611	8.1
127.07541	9.1
127.08305	1.7
131.08563	8.5
133.10129	34.2
135.08055	8.2
135.11662	5.4
137.05937	1.9
137.09570	4.1
139.11147	10.7
140.04718	7.4
143.08502	1.7
143.10608	2.8
145.10103	2.9
147.11737	6.4
147.12631	1.3
149.05959	4.4
149.09607	5.8
149.13254	10.7
151.11217	6.3
153.05435	1.9
153.07945	1.9
153.09113	34.6
154.06444	1.6
155.07053	12.0
163.11143	3.2
163.14771	5.4
165.09140	1.5
165.12691	1.6
167.07050	18.2
167.10649	3.5
171.10190	10.8
173.13297	14.0
177.05399	3.3
179.07025	1.5
181.04984	16.3
181.07579	3.9
191.10690	2.8
191.14290	13.1
199.07593	1.2
203.02249	1.2
209.07964	7.5
209.11813	3.2
209.15297	18.4
227.08057	15.7
227.16359	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03936	0.9
55.01881	0.8
55.05261	0.9
55.05505	6.0
56.96570	1.0
57.03442	0.9
57.07076	100.0
65.03956	1.1
67.05505	6.6
69.03419	5.1
69.07066	8.3
69.43410	1.5
69.43829	3.8
71.04996	3.7
71.08631	3.5
77.02985	0.7
79.05501	7.1
81.03453	0.9
81.07062	12.0
82.10690	0.5
83.04989	2.7
83.08629	6.3
85.02909	0.8
85.06530	3.0
91.05489	3.6
91.08924	0.6
93.07044	14.2
95.04977	1.2
95.08606	8.4
97.06524	3.3
97.10182	3.1
98.21493	0.9
98.97614	2.0
99.04445	0.9
99.08092	3.7
99.11737	4.6
100.11259	4.7
105.07020	2.2
107.04953	1.0
107.08601	12.4
109.06549	1.2
109.10149	5.3
111.04445	9.7
111.08091	2.7
113.96432	1.0
115.03961	1.0
116.98627	0.7
117.62132	0.7
119.08570	2.4
121.06501	1.7
121.10137	8.3
122.70975	0.6
123.11718	5.0
125.05966	1.3
125.09621	1.8
125.21739	0.6
127.11182	2.6
129.05476	5.9
129.06944	0.8
131.08548	1.8
133.10123	2.9
135.08046	1.6
135.11702	3.0
137.09657	0.8
139.07545	3.1
141.07043	0.6
143.07008	2.0
145.10138	1.1
147.11673	1.3
149.05974	0.8
149.09639	1.2
149.13258	9.1
151.11118	1.0
153.09097	2.5
153.96483	0.7
157.10178	1.3
163.11192	1.3
163.14854	5.9
165.12709	0.8
167.07054	1.2
167.10657	0.8
167.14316	23.1
171.11731	0.9
173.13210	2.7
175.14885	0.7
177.00668	0.8
181.15839	1.7
181.17735	0.6
185.15440	1.0
191.10617	0.9
191.14339	3.2
209.15335	6.7
209.17125	1.3
227.06979	1.3
227.10620	1.1
227.14507	1.8
227.16365	45.4
227.18092	2.5
228.17465	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	227.1644
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03933	1.9
55.01859	6.1
55.05518	17.8
57.03424	4.6
57.07079	8.2
59.04993	4.4
59.66232	1.6
61.02894	2.6
61.44486	1.4
61.82295	1.4
67.05515	23.4
69.03444	7.6
69.06738	2.3
69.07076	30.9
71.05005	13.1
71.40647	1.4
71.53441	1.8
75.77003	1.7
79.05083	1.7
79.05499	22.4
81.03430	2.5
81.06593	2.8
81.07061	50.0
83.04967	6.5
83.08629	14.1
84.33491	1.5
85.02905	2.8
85.06554	45.5
87.04479	20.3
91.05483	20.4
92.05842	1.8
93.07050	35.5
95.04971	14.8
95.07984	2.4
95.08605	30.6
97.02896	1.8
97.06554	15.6
97.10183	4.3
98.97570	6.1
99.04456	4.2
99.08071	6.3
100.11268	11.5
105.06418	2.2
105.07043	24.9
107.04930	6.0
107.08598	47.7
109.06495	5.5
109.10173	18.5
111.04408	4.7
111.08098	8.2
113.05995	8.1
115.05508	1.7
115.07580	3.6
117.07040	9.0
119.06062	1.5
119.08591	16.9
121.06544	12.4
121.09348	2.0
121.10149	29.0
123.04407	6.7
123.08054	7.7
123.11715	100.0
125.05971	3.9
125.09621	4.8
129.06947	3.8
130.07816	2.0
131.07072	2.8
131.08582	38.2
133.10126	20.4
135.08040	6.6
135.11688	17.6
137.05891	1.9
137.09595	5.9
137.13258	2.9
139.07515	5.3
139.11168	3.2
140.04660	2.0
143.08525	2.0
145.10139	18.4
147.08034	2.4
147.11714	13.4
149.05943	3.6
149.09641	28.5
149.13257	18.4
151.11147	9.0
153.09059	4.9
153.12683	3.4
154.06252	3.4
155.07004	5.8
158.99695	3.6
161.13208	3.5
163.11171	15.2
163.14799	10.3
165.09100	4.6
167.07014	5.2
167.10699	15.3
167.14325	3.7
169.08568	7.1
169.12180	2.2
171.10255	10.4
171.11455	1.8
173.09615	3.9
173.13268	20.6
181.04984	1.8
181.06483	2.2
181.12251	2.9
183.06541	13.2
191.10706	21.6
191.12480	2.6
191.14273	16.2
195.07817	4.0
196.03374	2.0
199.07549	2.2
207.09555	2.7
209.11775	24.4
209.15280	12.5
212.10365	4.7
227.06941	6.0
227.10696	4.8
227.12721	16.4
227.16386	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1644
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.45189	1.5
53.03949	2.5
55.05495	5.9
57.03423	5.5
57.07067	5.0
59.04985	5.1
64.07731	1.7
67.05521	8.6
69.03423	5.7
69.07076	11.8
69.46799	10.0
71.05000	23.5
73.07149	1.6
79.05503	8.7
81.07072	16.0
83.04961	3.9
83.08613	4.1
85.06564	9.5
87.01356	1.6
91.05468	7.2
93.06582	1.7
93.07066	25.3
95.04980	100.0
95.08619	16.2
95.47936	1.7
97.06539	24.0
97.10150	4.6
98.20715	2.8
98.97592	1.8
99.04464	20.0
99.07489	3.0
99.08100	37.1
100.11282	4.3
105.07028	10.9
107.04955	2.8
107.08604	25.4
109.06522	17.0
109.10175	10.4
111.08122	3.7
113.09637	4.7
115.07571	9.6
119.01918	2.1
119.08614	10.9
121.06511	2.0
121.10164	27.1
123.08045	3.2
123.11679	7.5
125.05939	1.8
125.09631	8.2
127.07568	18.3
131.08569	7.6
133.10156	41.0
135.08080	7.7
135.11678	10.2
137.09657	4.2
139.07486	2.2
139.11211	13.7
143.01868	3.9
143.10675	6.0
145.10141	4.6
147.11708	10.0
149.09624	2.9
149.13235	10.3
151.11241	7.8
153.09116	37.5
153.12802	2.0
158.10777	1.7
161.02963	3.3
163.11180	4.1
163.14822	6.7
167.07126	9.6
171.10245	10.7
173.13293	19.5
177.05528	1.7
178.09949	1.9
181.08612	7.9
187.48149	1.6
191.14331	15.7
205.20950	1.6
209.11729	3.7
209.15358	18.8
227.16422	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	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.99282	0.7
53.03969	0.8
54.19805	0.8
55.01880	1.6
55.05515	6.0
55.39083	0.8
57.03441	3.9
57.07080	2.5
59.05008	2.0
67.05511	5.5
69.03445	3.3
69.07079	6.2
69.24091	6.5
71.05005	15.9
73.06177	0.7
73.06552	1.2
75.04478	1.8
79.05505	5.5
81.07069	9.1
82.06599	0.8
83.04992	3.2
83.08636	4.5
85.06553	6.6
87.04453	0.9
91.05492	4.1
93.07058	12.1
95.04980	100.0
95.08625	8.0
97.06535	13.9
97.10180	4.2
98.97578	1.0
99.04468	21.4
99.08104	17.1
99.38682	0.7
100.09477	1.2
100.11275	7.7
102.31013	0.7
105.07036	5.8
107.08611	16.6
109.06527	11.6
109.10162	6.1
110.06054	0.9
111.04503	1.1
111.08115	4.5
113.06047	1.1
113.09666	0.9
115.07583	3.9
117.07030	0.9
119.08577	5.8
121.06541	1.7
121.10158	13.6
123.08089	2.4
123.11729	5.5
125.06064	0.8
125.09638	9.7
127.07572	6.7
131.08562	4.0
133.10144	21.4
135.08081	3.1
135.11697	4.3
137.09628	1.4
139.11192	7.5
141.11475	1.8
143.10683	6.0
145.10127	2.3
147.11710	4.7
149.09648	1.5
149.13272	6.7
149.24268	0.7
151.11205	3.5
152.06337	0.8
153.09120	31.1
153.10358	1.7
153.12706	1.2
158.99678	1.2
163.11148	0.9
163.14815	3.3
163.64461	1.6
165.12732	1.6
165.38380	0.7
166.33157	0.7
167.07021	2.5
167.08543	2.1
167.10785	0.8
167.14403	0.8
169.08479	0.8
169.12276	0.7
171.10191	15.5
173.13300	10.3
182.15479	1.2
183.13824	2.2
185.59698	0.7
191.10802	0.8
191.14323	9.3
195.07903	2.2
199.18054	0.9
209.11911	1.2
209.15381	21.1
213.17754	3.2
227.10637	4.2
227.16403	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Tanarifuranonol
Peak:m/z	Relative Intensity
53.03949	1.2
55.05521	5.9
55.79600	0.8
57.03416	4.1
57.07060	2.9
59.04983	2.4
67.05489	3.7
69.03423	2.8
69.07072	4.7
69.41380	6.5
69.41801	1.5
69.47515	0.9
71.04992	18.0
73.06544	1.4
75.04475	1.5
79.05506	4.9
81.03384	1.1
81.07059	11.0
83.04977	2.5
83.08607	5.0
85.06544	6.3
91.05457	2.6
93.07038	11.5
95.04970	100.0
95.08616	6.9
97.02981	1.0
97.06538	12.8
97.10143	3.7
98.97588	1.7
99.03843	1.6
99.04455	21.2
99.08092	20.3
100.11266	5.4
100.61688	0.9
105.07036	6.1
107.08598	13.6
109.06523	11.4
109.10133	6.5
110.06022	1.0
111.08064	4.0
113.09628	1.4
115.07563	4.2
117.13866	1.0
119.08590	5.2
121.10148	11.9
123.08059	2.1
123.11691	5.0
125.09605	7.8
127.07577	9.8
131.08566	5.2
133.10138	23.5
135.08012	2.7
135.11700	2.5
139.11176	7.2
143.10716	6.5
143.11647	1.1
145.10176	2.5
147.11720	5.5
149.05981	1.1
149.09700	1.5
149.13231	4.1
151.11186	4.1
151.83690	1.0
153.09106	31.1
153.12721	1.2
163.11203	1.0
163.14824	3.8
165.12773	2.3
167.06996	3.1
167.08426	1.4
171.10178	16.2
171.11621	1.1
173.13266	11.2
182.15413	1.2
183.13710	1.1
191.14325	8.7
209.15331	21.6
213.17778	2.6
224.65503	1.0
227.06885	0.9
227.10754	1.5
227.16415	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03954	2.2
55.01867	3.9
55.05517	20.0
57.03455	12.7
57.07064	10.1
58.32915	2.9
58.76654	2.7
59.04996	6.4
65.03948	2.7
67.05505	16.9
69.03432	14.9
69.07076	34.5
69.66575	4.5
69.66988	11.2
71.01316	2.5
71.05001	27.1
77.17079	2.5
79.05498	19.1
81.07064	52.8
83.04974	15.6
83.08619	16.1
85.06549	14.3
86.09712	3.9
87.04483	16.2
91.05480	14.1
93.07050	57.2
95.04973	100.0
95.08616	36.4
97.06548	22.2
97.10166	7.7
98.97612	5.3
99.04463	22.4
99.08096	40.3
100.11258	14.8
101.06029	3.5
105.07027	28.9
107.08609	54.1
109.06523	21.6
109.10178	25.0
111.02689	2.8
111.08103	15.4
111.11726	7.9
113.09639	6.0
115.07578	10.1
117.07035	4.4
119.08569	18.1
121.06519	5.7
121.10151	94.1
123.08076	11.1
123.11711	59.8
124.11210	3.1
125.09635	36.4
126.12725	3.8
127.07577	22.0
131.08566	8.4
133.10132	46.2
135.08025	12.0
135.11691	11.9
137.09622	9.1
137.13255	6.4
139.07506	3.4
139.11143	19.0
140.04677	2.6
145.10114	5.5
147.11664	19.1
149.05934	2.6
149.09634	40.5
149.13284	22.0
151.11185	38.9
153.05524	3.8
153.09120	43.0
163.07518	3.4
163.11172	4.6
163.14825	12.7
165.12782	5.4
167.07021	7.6
167.10677	96.3
167.14331	3.5
171.10178	15.1
173.13275	22.5
173.84921	2.4
179.14354	6.7
185.04451	2.9
191.10675	4.4
191.14339	26.5
197.15353	8.0
209.08160	17.9
209.11639	2.6
209.15341	42.0
227.08936	3.7
227.16383	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01881	1.9
55.05279	0.4
55.05513	4.6
56.96820	0.4
57.07066	1.5
65.03935	0.4
65.50953	0.3
67.05509	2.6
69.03426	2.6
69.07072	5.6
71.01357	0.7
71.04987	0.8
71.52874	0.3
71.53229	0.5
79.05492	3.9
81.07064	4.6
83.04999	2.0
83.08607	0.8
85.06557	0.6
91.05485	5.1
93.07052	4.6
95.04980	1.3
95.08597	1.8
97.06541	5.7
97.10175	1.0
100.11261	2.2
103.05453	0.8
105.07037	8.0
107.04952	1.3
107.08598	3.9
109.10167	0.9
111.08067	0.4
115.05445	1.9
117.07005	3.0
119.04909	0.5
119.08594	4.5
121.06493	2.6
121.10159	1.3
123.08115	0.6
125.09618	0.9
127.07555	1.6
128.06224	7.7
129.07013	8.7
131.08568	8.2
133.06500	1.0
133.10130	1.4
135.08075	1.7
135.11713	0.5
137.05994	0.9
141.07005	3.5
142.07779	9.6
143.08565	33.1
144.09354	0.8
145.06506	2.0
145.10103	3.0
147.08055	1.6
147.11681	0.6
151.11136	0.5
152.06177	0.6
153.07050	1.6
154.07756	2.1
155.06007	0.5
155.08568	6.4
156.09363	3.6
157.06511	3.9
157.10133	28.6
158.07234	0.6
159.08086	2.6
159.11707	1.0
165.07014	3.0
166.07787	1.9
167.08565	6.5
167.86331	0.3
168.09306	2.7
169.06404	0.5
169.07803	0.5
169.10120	9.6
170.07289	0.8
170.10889	4.4
171.08058	10.5
171.10254	0.6
171.11693	9.2
172.08861	1.3
173.09642	0.7
179.08540	7.3
180.09357	3.5
181.10136	6.9
182.10921	0.5
183.08086	4.1
183.11705	8.9
184.08846	1.9
184.12439	2.4
185.09627	15.6
185.13274	16.9
186.10355	0.4
189.11270	0.6
193.10193	0.8
194.10919	7.8
197.09599	3.2
197.13271	1.5
198.10410	6.2
198.13622	0.4
199.11218	4.3
199.14827	15.8
209.13261	18.6
211.11177	0.4
212.11961	4.8
212.15266	0.6
227.14328	100.0
227.17690	10.1
228.14784	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.5
53.03945	1.6
55.05516	7.2
57.03429	0.4
57.07063	0.7
62.83235	0.4
65.03946	1.1
67.05515	6.6
69.03432	2.3
69.07076	3.8
71.05005	0.8
71.13011	1.0
79.05493	8.0
81.03384	0.6
81.07063	12.9
83.04992	4.8
83.08613	1.4
86.67382	0.5
90.38430	0.5
91.05481	15.0
93.06480	0.9
93.07053	14.6
95.04974	17.2
95.08607	5.4
97.06562	1.3
97.10171	0.7
100.11250	2.2
103.05443	0.9
103.26347	0.4
105.04552	0.7
105.07040	21.1
107.04955	1.1
107.08588	7.1
109.06516	2.6
109.10171	1.5
115.05460	2.7
116.06241	1.3
117.07022	12.4
119.08589	18.2
121.06504	3.4
121.10147	2.6
123.08056	0.8
128.06230	8.7
129.06033	1.0
129.07004	18.7
130.07784	3.1
131.07596	0.9
131.08578	17.3
133.06488	1.3
133.10147	6.5
134.31761	0.5
135.08089	1.9
141.06982	6.2
142.06656	0.5
142.06940	0.3
142.07785	13.4
143.08569	36.9
144.09373	3.0
145.06487	2.1
145.10129	30.7
145.11314	0.9
147.08064	6.1
147.11717	1.6
153.06975	4.5
154.07784	2.4
155.05981	0.6
155.08565	13.5
156.09341	6.4
157.06558	1.3
157.10139	42.2
158.10889	1.3
159.08064	4.6
159.11665	3.6
161.09676	0.6
163.11240	0.5
165.06993	4.1
166.07817	2.1
167.08565	7.4
168.09360	7.2
169.06599	0.7
169.08755	0.4
169.10124	11.9
170.07289	1.3
170.10901	4.3
171.08064	7.5
171.11696	21.8
172.08887	1.5
172.12480	0.9
173.09627	1.3
179.08563	7.0
180.09341	2.1
181.10095	5.4
183.08160	1.3
183.11703	18.7
184.08846	1.3
184.12538	4.1
185.09627	12.8
185.13258	15.5
186.10419	0.7
193.10147	1.0
194.10913	6.2
197.09578	2.5
197.13338	2.8
198.10378	2.4
198.13943	1.0
199.11177	5.0
199.14832	34.0
209.13272	14.0
212.11940	3.5
212.15558	1.1
227.14339	100.0
227.17873	46.3
228.14815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01874	3.6
55.05506	5.3
57.03429	3.4
57.07073	5.6
65.03942	1.8
67.05508	27.2
69.03419	3.1
69.07069	6.8
69.83983	3.9
69.84396	2.6
71.04996	22.9
73.02926	1.9
79.05494	22.9
81.07063	16.7
83.04974	6.4
83.08607	1.6
85.06547	100.0
88.00191	1.3
91.05488	15.4
93.07047	26.2
95.04980	20.9
95.08611	4.8
97.06559	6.0
98.97553	2.0
99.04498	2.9
99.08104	12.6
100.11233	2.5
103.05461	1.4
105.07045	18.6
107.04963	10.5
107.08599	32.5
109.02947	1.2
109.06525	7.4
109.10162	5.9
111.04456	12.5
111.08115	2.3
113.96389	2.0
115.07526	1.9
115.24353	1.0
117.07012	4.6
119.08582	17.5
121.06523	15.4
121.10146	25.2
123.04448	2.6
123.08078	4.2
125.06018	7.8
125.09643	3.3
127.07568	3.3
129.07005	5.6
131.08574	64.1
133.10130	10.5
135.08066	4.4
135.11679	6.8
137.05936	1.3
137.09619	6.6
139.03894	2.0
139.07561	2.1
139.11180	3.3
140.04697	1.8
141.05440	1.6
143.07030	1.2
145.06488	1.6
145.10135	25.3
147.08076	4.6
147.11693	3.1
149.06010	1.7
149.09631	60.6
149.13272	3.1
151.11215	1.8
153.05466	4.5
153.09111	6.6
155.07043	5.5
155.08542	2.1
155.26840	1.2
158.99678	1.8
163.07532	3.5
163.11203	21.7
163.14848	3.4
165.09151	11.1
167.07059	5.7
167.10689	32.3
170.61255	1.2
171.10182	2.2
173.09618	7.7
173.13277	3.3
181.04961	4.0
191.10681	56.1
191.14351	4.6
197.11726	1.9
209.08064	3.5
209.11742	56.4
209.15367	5.8
227.12794	31.3
227.16302	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	227.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01855	1.0
55.05511	7.3
56.58771	0.3
57.03426	0.7
57.07060	1.1
65.03925	0.6
65.84966	0.3
67.05509	3.9
69.03424	1.2
69.07067	4.7
71.05005	0.7
71.08624	0.3
71.32903	0.5
74.09774	0.3
77.03934	0.4
79.05492	5.6
81.06584	0.5
81.07056	8.1
83.04972	2.2
83.08603	2.5
85.06531	0.8
86.91889	0.3
87.63223	0.3
91.05480	8.5
93.06475	0.5
93.07047	9.0
95.04964	1.0
95.08057	0.4
95.08614	5.5
96.86304	0.3
97.06525	0.9
97.10171	1.6
100.11251	1.5
103.05456	0.9
105.04506	0.5
105.07033	15.1
107.04961	0.5
107.08591	7.7
109.06506	1.0
109.10159	2.3
115.05423	1.8
117.07024	4.5
119.04948	0.3
119.08587	17.5
121.06496	1.5
121.10144	4.0
123.08060	0.3
125.09616	0.9
128.06210	6.8
128.07133	0.4
129.07002	11.1
130.07805	1.3
131.07587	0.6
131.08575	11.3
133.06456	1.7
133.10136	9.2
135.08063	2.0
135.11662	1.3
141.06976	5.0
142.07784	11.2
143.08562	34.1
144.09351	1.8
145.06483	1.3
145.10123	12.8
146.10847	0.3
146.57500	0.3
147.08080	2.5
147.11668	3.4
149.09616	0.4
152.06238	0.8
153.06996	2.1
154.07762	3.0
155.06009	0.8
155.08557	8.8
156.09346	8.6
157.06555	2.4
157.10132	41.1
157.61729	0.3
158.10875	1.3
159.08032	2.0
159.11688	6.1
161.09641	0.7
161.13400	0.3
163.11191	0.3
163.14775	0.3
165.07004	4.1
166.07800	1.7
167.07127	0.5
167.08554	6.7
168.09343	3.5
169.10138	15.5
170.07237	0.5
170.10915	4.7
171.08064	8.0
171.11685	31.0
172.08807	1.1
172.12517	1.6
173.09605	1.1
173.13254	0.3
179.07317	0.2
179.08553	13.5
180.09335	2.7
181.10117	7.2
182.10895	2.8
183.08124	2.1
183.11693	12.8
184.08862	1.1
184.12483	5.2
185.09627	13.6
185.13263	21.2
186.10338	0.5
186.14027	0.5
186.18616	0.3
189.11246	0.4
193.10173	0.9
194.10913	10.3
195.11632	0.4
196.12479	0.8
197.09628	3.2
197.13268	10.6
198.10410	3.3
198.14014	3.2
199.11185	5.0
199.14827	30.4
207.11542	0.4
209.13264	25.1
211.11168	0.5
212.11977	5.0
212.15617	1.3
227.14319	100.0
227.17947	91.7
228.14694	0.6
228.18350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.62677	1.3
53.03946	2.9
55.01876	9.6
55.05295	1.3
55.05515	12.6
56.96563	1.5
57.03423	4.8
57.07075	9.6
59.04992	1.5
61.56981	1.3
65.03933	1.6
67.05506	31.2
69.03426	7.4
69.07070	20.1
69.78373	7.0
71.05000	19.3
79.05070	2.6
79.05496	32.8
81.07056	16.5
82.61520	1.1
83.04980	10.5
83.08627	6.4
85.02900	3.1
85.06545	100.0
86.09715	6.8
87.04445	2.3
91.05487	18.1
93.07047	30.3
95.04970	17.9
95.08609	18.0
97.02863	1.5
97.06523	9.4
97.10158	5.1
98.97578	5.8
99.04460	7.6
99.08096	6.0
100.11250	12.0
105.07040	22.9
107.04957	10.4
107.08597	45.5
107.79472	1.7
108.08923	1.7
109.06525	11.0
109.10170	9.2
111.04448	13.2
111.08064	3.3
113.06049	1.8
113.96407	1.9
115.05476	1.6
116.06173	1.8
117.07021	6.0
119.08599	16.0
121.06525	16.7
121.10153	24.7
123.04433	9.6
123.08070	6.3
123.11707	6.0
125.06015	7.7
125.09630	5.8
129.06996	5.8
131.08577	54.0
133.06526	2.4
133.10107	6.8
135.08057	7.9
135.11703	9.5
137.05957	3.4
137.09607	8.5
139.07541	3.5
139.11191	2.3
141.05472	1.9
142.03207	1.6
143.07098	1.5
143.08556	2.9
145.06541	1.7
145.10129	29.5
147.08086	4.6
147.11696	2.9
149.05954	2.8
149.09633	59.9
149.13268	4.9
149.38914	1.6
151.07622	3.2
151.11235	3.2
153.05476	2.3
153.09116	5.9
154.06242	5.3
155.07018	9.7
155.08366	2.5
158.99760	1.8
160.74641	1.6
161.09645	1.9
163.07559	2.8
163.11172	28.1
163.14850	2.4
165.09143	9.1
167.07115	6.6
167.08382	1.7
167.10699	29.9
169.08615	21.5
173.09708	6.3
173.13235	4.6
179.10608	3.0
181.12241	6.2
183.06526	17.4
186.07310	2.6
189.11235	2.0
191.10678	57.7
191.14313	6.7
194.57214	1.6
195.07863	5.2
197.11722	2.4
209.11723	57.6
209.15341	8.8
212.08459	1.5
212.10475	5.7
217.72052	1.7
227.07051	3.9
227.10774	3.7
227.12793	35.6
227.16301	4.0
227.17943	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	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01872	1.7
55.05502	4.3
57.03428	2.5
57.07066	3.6
65.03936	1.9
67.05190	2.1
67.05514	26.2
69.03422	1.8
69.07061	6.8
69.64593	5.3
69.64999	4.2
71.05003	18.6
71.96856	1.5
73.02921	2.6
79.05495	22.7
81.07084	11.0
83.04991	9.0
85.06551	100.0
91.05470	16.5
93.07053	23.9
95.04970	12.3
95.08612	2.1
97.06520	5.5
98.97591	1.9
99.08100	6.8
105.07037	16.4
107.04955	10.4
107.08601	24.8
109.06513	5.3
109.10149	2.9
111.04459	13.0
117.07024	7.6
119.08588	19.7
121.06541	15.6
121.10155	20.3
123.04401	3.7
123.08018	2.6
123.11709	1.9
125.05943	8.2
129.06999	7.3
131.08578	61.7
133.10124	2.8
135.04439	1.4
135.08099	3.1
135.11673	6.3
137.05949	1.9
137.09602	6.3
139.07617	2.4
140.04649	3.0
145.10143	28.7
147.08012	5.1
147.11681	2.7
149.06009	2.8
149.09641	62.4
149.13194	1.5
153.05478	4.2
153.09151	2.4
155.07094	7.0
155.08150	1.5
158.37256	1.4
163.07550	3.5
163.11205	25.3
164.14819	1.5
165.09134	12.7
167.07065	5.0
167.09325	2.6
167.10686	35.3
173.09657	8.2
181.04930	6.5
187.79358	1.5
191.08937	3.0
191.10681	61.5
197.11647	1.8
209.08075	4.5
209.09750	2.9
209.11743	60.5
224.67874	1.6
227.09210	1.8
227.12796	36.0
227.16278	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	227.128
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03936	4.9
55.01859	4.7
55.05519	8.2
56.96560	1.1
57.03420	3.6
57.07078	5.8
59.00647	1.0
59.30155	1.1
65.03931	3.5
65.67464	1.1
67.01855	1.4
67.05515	33.5
68.99786	2.0
69.03421	4.6
69.07078	11.2
69.69900	1.0
70.92506	2.6
71.05000	23.2
72.93799	1.1
73.02905	3.8
79.05072	1.7
79.05501	28.7
81.03431	8.8
81.07076	12.8
83.04990	10.0
83.08605	3.4
85.02906	2.2
85.06554	100.0
91.05488	22.7
93.06491	1.8
93.07053	31.2
95.04398	1.4
95.04980	25.3
95.08614	5.7
97.05997	1.3
97.06550	10.8
97.10173	2.3
99.04469	6.1
99.08114	6.4
100.11240	4.9
103.05473	2.8
105.06410	1.8
105.07051	20.5
107.04980	11.8
107.07880	2.2
107.08605	38.4
109.06518	11.3
109.10163	5.5
110.03657	1.2
111.04455	16.1
111.08046	3.1
113.06010	1.1
113.96409	2.3
115.05463	1.6
117.07049	6.5
119.04939	1.2
119.08589	17.0
121.06512	18.6
121.09338	2.1
121.10159	28.3
123.04456	13.4
123.08061	4.6
125.06016	12.2
125.09636	3.1
127.03948	1.9
129.07028	7.9
131.08583	66.2
133.10115	4.9
135.04449	3.1
135.08023	5.9
135.11714	7.3
137.06010	8.9
137.09622	9.1
138.06749	2.9
139.03923	2.1
139.07544	8.7
140.04701	7.3
141.05437	4.1
143.07014	1.5
143.08585	1.6
145.06467	2.2
145.09073	1.9
145.10147	31.3
147.08049	7.1
147.11684	3.3
148.05161	1.6
149.06007	6.6
149.09637	70.8
149.13264	1.6
151.07561	1.7
151.11131	1.7
152.07039	1.6
153.05444	4.5
153.09097	2.2
155.07074	9.7
155.08351	2.1
163.03882	2.6
163.07571	6.5
163.09885	1.5
163.11198	28.3
163.14806	2.0
165.05496	14.3
165.09122	11.6
167.07072	25.3
167.09354	2.1
167.10698	39.0
169.08577	1.4
173.09666	8.4
173.13287	1.4
176.85272	1.2
177.05455	5.2
181.04988	11.5
181.08551	1.8
183.06555	51.6
191.10692	64.8
191.14319	4.1
194.05783	1.7
195.06494	3.5
197.11746	1.3
209.08224	12.2
209.11740	63.6
209.15239	4.7
215.25102	1.1
227.07179	2.2
227.09113	39.4
227.12753	37.3
227.16479	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.01896	0.2
55.05513	13.5
55.30985	0.1
55.81996	0.2
57.03442	0.3
57.07072	0.4
65.03939	0.2
66.08617	0.2
67.05521	1.5
69.03436	0.3
69.07069	0.6
69.53777	0.2
70.77077	0.4
70.77415	0.2
71.05001	1.0
73.02964	0.2
79.05481	1.4
81.07061	1.0
82.06574	0.5
83.04987	0.6
83.08623	8.5
84.08126	0.2
85.02895	0.2
85.06547	5.3
86.09750	0.2
91.05491	1.2
93.03338	0.2
93.07052	1.8
95.04952	1.4
95.08604	0.6
97.06530	0.8
99.04497	0.2
99.08076	0.3
100.11261	100.0
101.11609	0.3
105.07034	1.3
107.04961	0.7
107.08592	2.2
109.06538	0.6
109.10162	0.5
110.06056	0.4
111.04423	0.8
111.08125	0.3
117.07004	0.3
117.13950	0.9
119.08582	1.0
121.06534	1.0
121.10140	1.5
123.04432	0.4
123.08106	0.3
125.06004	0.9
127.05492	0.2
127.08684	0.6
129.06973	0.4
131.08571	3.6
133.10135	0.5
135.08112	0.2
135.11685	0.3
137.09641	0.5
139.07704	0.2
139.08640	0.9
140.04736	0.3
145.10114	1.5
147.08047	0.4
147.11684	0.2
149.06012	0.4
149.09627	4.0
151.07631	0.2
153.09152	0.3
155.07045	0.3
163.07579	0.2
163.11194	1.6
165.05391	0.2
165.09154	0.4
167.07019	1.7
167.10699	2.3
173.09636	0.3
173.13297	0.2
177.05490	0.4
179.14474	0.2
183.06589	0.5
191.10674	3.4
191.14294	0.3
192.63622	0.2
199.18083	0.3
209.08118	0.7
209.11774	3.3
209.16508	19.9
227.09171	1.5
227.12868	2.2
227.17561	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	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
52.25359	0.9
52.42780	0.9
53.03934	2.3
55.01866	3.3
55.05512	5.7
57.03426	2.4
57.07071	1.8
59.05011	1.1
61.02930	1.1
61.21624	1.0
65.03931	2.5
67.05506	8.2
68.66303	1.0
68.99773	1.8
69.03422	3.8
69.07069	6.2
69.49547	6.4
71.04999	6.0
73.02932	1.6
78.04704	1.6
79.05499	10.0
81.03413	2.4
81.07059	12.3
83.04949	3.2
83.08617	3.7
85.02893	1.6
85.06538	7.4
87.04494	1.3
91.00845	0.9
91.05489	13.9
92.06284	1.2
93.03418	2.4
93.07046	17.7
94.71925	1.1
95.04976	19.9
95.08629	7.7
97.02917	1.2
97.06544	6.2
97.10181	2.0
98.97623	1.1
99.04446	3.0
99.08073	4.0
100.11256	9.4
102.88970	1.1
103.05463	6.7
105.03469	1.3
105.04430	1.3
105.07034	5.9
106.04167	1.7
107.04968	9.3
107.08595	12.1
109.02866	1.3
109.06512	6.5
109.10151	4.1
111.04431	3.3
111.08080	1.9
113.96328	1.3
115.07553	1.8
116.96120	0.9
117.07009	1.3
119.04968	1.8
119.08564	3.4
120.05706	2.2
121.05667	1.8
121.06515	25.4
121.10140	13.8
123.04431	5.5
123.08062	3.6
123.11718	7.1
125.06017	5.7
125.09634	3.4
127.07520	2.2
129.40677	1.1
131.04910	2.0
131.08585	8.3
133.02882	1.3
133.10136	8.5
134.03589	1.8
135.04399	3.4
135.08000	3.4
135.11736	2.7
137.05937	1.1
137.09586	1.5
139.07509	4.9
139.11220	1.8
140.04674	2.0
145.10115	3.3
147.04349	2.2
147.11626	2.9
148.05199	17.8
149.05991	22.4
149.09637	7.5
149.13245	2.6
151.03870	3.4
151.07529	1.9
151.11183	4.6
153.05458	5.7
153.07036	1.0
153.09090	5.7
155.07068	1.9
162.03076	1.8
163.03888	2.7
163.11176	2.8
163.14804	1.3
165.05449	1.7
165.09082	2.4
165.12796	1.4
166.06294	2.9
167.07059	26.5
167.10704	13.2
171.10135	2.9
173.13234	3.3
176.04692	2.8
177.05484	16.2
179.14310	1.4
181.05020	2.6
181.08739	1.6
191.10696	6.8
191.14322	5.5
193.04945	2.1
194.05751	26.3
195.04753	2.0
195.06543	40.9
197.15352	1.0
201.68034	1.0
209.08102	100.0
209.11671	8.3
209.15115	5.9
210.08440	1.3
227.09238	14.7
227.12729	5.9
227.16164	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	226.9723
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99185	1.6
68.34651	1.6
69.42701	3.8
69.43109	8.0
91.73466	1.7
94.93025	15.6
105.06204	1.5
110.15037	1.4
150.95601	100.0
166.95113	3.6
180.96672	11.0
197.06654	1.8
208.96153	23.0
226.97197	46.8
245.36345	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.59438	2.0
55.01873	4.5
55.05514	13.4
57.03425	5.1
57.07069	3.6
59.05007	4.0
67.05505	16.9
69.03434	18.7
69.07077	10.4
69.70039	11.9
71.04995	5.1
73.02934	3.3
75.86588	2.0
79.05518	12.2
81.03448	4.4
81.07056	34.6
81.75658	1.9
83.04982	31.4
83.08642	2.3
85.02908	16.4
85.06535	3.1
91.05474	14.1
93.07042	27.4
95.04972	11.0
95.08609	56.9
97.06534	9.4
97.10162	3.5
98.73526	2.2
99.04427	7.6
105.06389	3.4
105.07034	37.0
107.04945	3.4
107.08594	57.0
109.02902	2.7
109.05795	4.0
109.06519	58.1
109.10155	5.6
111.08058	5.1
113.06037	2.3
117.91597	1.9
119.08583	45.6
121.06498	5.0
121.10148	29.3
122.10907	2.7
123.08075	100.0
123.11730	9.5
125.09624	3.2
127.07568	2.2
131.08543	6.3
133.06462	5.8
133.10132	21.6
135.08093	2.6
135.11690	52.2
137.09602	7.2
137.13229	3.9
139.07504	3.8
141.09099	47.2
145.10164	3.3
147.08084	10.8
147.11691	33.7
149.09630	18.4
151.07544	13.7
151.11189	3.7
156.09315	4.3
159.11687	4.9
161.09593	2.0
161.13261	40.9
163.11194	3.1
165.09067	2.6
165.12729	5.7
167.10616	2.7
169.08636	4.7
171.11665	5.6
177.12721	4.9
179.14319	7.6
189.12753	27.6
195.13792	3.4
207.13812	82.5
225.14868	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.26974	1.3
55.01880	2.3
55.05513	15.3
56.94396	1.5
57.03415	2.8
57.07061	5.8
64.22710	1.5
67.05510	20.6
69.03423	6.9
69.07072	72.3
71.04978	4.9
73.39317	1.3
79.05479	6.1
81.06660	1.9
81.07060	24.3
81.23551	1.4
83.04984	14.7
83.08629	12.4
85.02927	6.9
85.06530	4.4
87.26904	1.4
91.05463	7.3
93.07045	13.2
95.04998	3.0
95.08613	100.0
97.06535	4.1
99.04443	6.7
99.08096	1.8
105.03376	1.9
105.07032	17.2
106.01589	1.4
107.08601	26.0
109.02845	2.2
109.06521	11.0
109.10165	18.9
111.08092	27.9
113.01250	1.5
119.08587	29.2
121.09360	1.7
121.10156	28.8
123.08073	58.3
123.11700	10.9
131.08531	1.9
133.10129	10.1
135.08073	9.9
135.11696	19.1
137.09644	7.4
137.13268	25.5
141.05450	4.0
147.04466	1.8
147.08047	6.9
147.11690	26.0
149.09573	4.5
151.07547	13.0
151.11188	2.8
151.14764	4.1
153.46024	1.5
161.09605	2.7
161.13266	30.7
165.09093	7.4
165.12737	5.1
171.11674	1.7
179.14317	49.6
181.64940	1.5
183.13710	2.3
189.12753	30.6
207.13809	81.8
225.12848	2.3
225.14867	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	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.49366	1.4
55.01876	3.1
55.05520	11.3
56.66984	1.5
57.03437	7.2
57.07089	3.3
59.04999	4.0
60.53397	1.4
61.02921	1.5
67.05508	13.7
69.01005	1.7
69.03448	10.1
69.07071	10.1
69.57738	5.1
69.58152	4.9
71.05000	12.4
79.05511	12.6
81.03452	3.4
81.07069	20.7
83.04991	7.4
83.08624	4.4
83.26502	1.7
85.02908	4.1
85.06544	3.5
87.04460	1.6
91.05486	20.1
93.06482	2.6
93.07055	37.3
95.04984	9.5
95.08614	25.8
97.06532	26.8
97.39428	1.6
98.20811	3.2
99.04464	10.8
101.33199	1.8
101.95054	3.1
105.03397	3.7
105.06403	2.9
105.07047	41.8
107.08606	50.8
109.06520	16.9
109.10165	20.9
111.04498	2.0
111.08092	97.5
117.07031	5.0
119.08595	87.1
121.06518	7.7
121.10152	40.5
123.04463	1.6
123.08077	19.2
123.11692	5.5
125.09648	5.1
127.07563	1.9
129.06995	2.7
131.08614	13.5
133.06532	3.1
133.10182	17.7
135.08084	14.7
135.11708	35.4
137.09618	39.0
143.08601	3.1
144.09361	4.4
145.10109	8.0
147.08063	9.6
147.11685	37.2
149.09630	42.3
149.13266	7.7
151.07544	6.2
151.11223	13.3
156.09369	5.9
159.07999	2.1
159.11714	38.7
160.96074	1.7
161.09656	8.3
161.13275	28.0
163.11209	10.3
165.09087	9.7
165.12747	8.4
167.07120	2.0
167.10718	5.1
171.11717	7.5
174.10382	2.9
177.12767	37.5
179.10724	2.5
179.14311	4.9
181.12312	1.8
183.13890	1.9
189.09149	2.8
189.12779	29.8
195.13824	12.2
207.13820	100.0
211.23174	1.6
219.61140	1.6
225.08986	4.6
225.11218	2.1
225.14856	48.8
225.16924	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	225.1122
Annotation	Aspidinol
Peak:m/z	Relative Intensity
53.03942	0.9
55.01880	0.6
55.05513	2.7
57.03442	1.1
57.07081	2.6
62.22316	0.5
65.03933	0.4
67.01843	0.4
67.05499	1.9
68.99782	2.2
69.03429	1.6
69.07079	1.2
69.49816	2.4
71.04990	0.6
71.08636	5.3
75.90208	0.3
79.05494	3.7
81.03410	1.9
81.07060	13.8
83.05001	1.0
83.08613	0.9
85.02904	1.8
85.06531	1.8
91.05505	2.0
93.07052	1.7
95.04973	1.6
95.08613	6.8
97.02884	0.5
97.06557	0.8
98.97577	1.6
99.04459	1.8
99.08109	3.2
101.95016	2.2
105.03413	1.7
105.07014	1.2
107.05019	0.5
107.08577	1.3
109.02866	0.7
109.06554	2.0
109.10172	1.2
111.04444	1.3
111.08077	0.5
113.09698	0.6
119.04961	3.1
119.08559	1.2
119.96117	0.4
121.10123	1.4
123.04435	13.6
123.05335	0.7
123.08056	4.0
123.11687	0.5
125.05999	0.5
127.03924	7.3
131.08554	0.5
133.10117	1.0
135.11713	0.5
137.02351	0.7
137.05983	13.2
137.09676	2.0
139.03905	53.6
139.11232	0.9
141.09102	12.6
147.04424	1.8
147.11682	1.1
149.09602	0.9
151.03880	4.5
151.07576	0.8
151.11143	1.3
153.01752	2.5
153.05476	4.7
155.03397	42.5
156.03758	0.4
158.99666	0.6
160.98726	1.0
161.13274	0.9
163.04021	0.5
165.05479	21.2
165.09145	0.6
165.12819	0.4
169.10164	0.4
173.13501	0.5
179.07054	0.9
179.10658	0.4
183.10179	1.3
183.11674	0.4
184.00363	0.4
189.09175	0.7
207.10156	9.6
207.13710	2.1
207.17455	0.7
225.11214	100.0
226.11633	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1488
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03953	3.9
55.01883	7.9
55.05522	19.5
57.03442	7.1
57.07076	5.6
59.04999	4.2
60.51561	1.1
61.02927	3.1
65.03954	3.1
67.05518	22.4
69.03440	29.8
69.07080	10.7
69.39525	9.8
71.05003	12.8
73.02927	2.6
77.03963	1.0
79.05502	24.2
81.03430	7.7
81.07067	35.1
83.04989	27.0
83.08624	2.3
85.02918	35.1
85.03442	1.8
85.06557	3.3
87.04485	2.1
89.93651	1.2
90.56222	1.2
91.03967	1.3
91.05495	52.2
93.07059	33.8
93.53042	1.1
95.04978	12.5
95.08620	50.4
97.02907	6.3
97.06549	17.8
97.10186	2.2
99.04474	21.5
99.08106	2.2
101.06007	1.5
103.05489	3.9
105.03397	5.9
105.07048	73.4
107.04967	12.0
107.08613	61.3
109.02892	5.4
109.06533	52.1
109.10191	8.9
111.04473	3.1
111.08078	5.7
111.98511	1.2
113.06052	2.1
113.91290	1.3
115.05435	2.0
115.59422	1.1
117.07033	10.8
119.04961	10.1
119.08601	100.0
121.06532	9.0
121.10162	34.5
122.10969	2.5
123.04464	8.1
123.08086	93.6
123.11700	9.5
125.06009	6.6
125.09653	17.2
127.03953	4.6
127.07575	3.5
128.06242	8.4
129.07036	17.6
130.07770	2.0
131.08594	8.1
132.05746	1.6
133.06522	12.9
133.10155	44.4
135.04491	2.1
135.08070	11.4
135.11708	49.3
137.05995	5.9
137.09628	16.0
137.13271	3.5
139.07581	3.5
139.11191	1.6
141.09129	36.5
143.08589	25.0
145.04967	5.4
145.06482	3.3
145.10155	14.0
147.04440	5.2
147.08072	73.3
147.11707	31.5
149.09647	21.0
149.13229	1.9
151.07565	18.3
151.11212	10.1
153.05513	1.8
153.09145	1.8
155.10640	1.3
156.09445	2.8
157.06471	2.1
159.08099	1.4
159.11728	5.0
160.08852	1.5
161.06024	9.8
161.09648	37.9
161.13268	34.1
163.07524	1.7
163.11197	18.5
165.05487	7.8
165.09169	17.6
165.12820	6.3
167.10706	11.0
169.08635	3.5
171.08083	1.5
171.11690	5.8
175.03951	6.0
177.09235	2.4
177.12839	6.7
179.07094	11.1
179.10703	9.0
179.14275	7.9
181.12189	5.9
183.13867	4.9
189.09137	22.2
189.12776	26.5
192.04219	2.2
195.10213	13.4
195.13861	6.2
207.06929	8.1
207.10210	82.0
207.13811	72.3
216.79776	1.3
218.73970	1.1
225.09233	2.5
225.11275	34.6
225.14830	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	225.1122
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
53.03939	3.3
53.10844	1.1
55.01880	6.8
55.05513	20.1
56.96553	1.9
57.03436	9.3
57.07069	3.3
59.04995	3.9
61.02926	3.0
65.03931	1.8
67.05508	19.4
68.99781	1.4
69.03432	28.3
69.07072	7.8
69.89303	3.5
71.04996	14.0
71.08636	1.1
72.08154	1.5
73.02905	3.7
79.05495	22.8
81.03414	7.0
81.07062	29.8
83.04987	25.7
83.08619	2.9
84.08147	1.4
85.02911	41.0
85.06530	3.6
87.04463	3.3
91.05483	61.5
93.07048	32.3
95.01329	1.8
95.04971	18.6
95.08615	31.3
97.02892	6.9
97.06537	15.6
97.10141	1.3
98.20742	1.2
98.97560	1.2
99.04465	21.8
99.08104	2.0
101.06059	1.3
101.95039	1.8
103.05467	4.5
105.03412	7.0
105.07039	70.5
107.04944	10.3
107.08598	40.9
109.02856	4.8
109.06519	33.4
109.10165	9.3
111.04443	3.4
111.08074	5.2
111.98487	1.3
113.05999	1.5
113.96402	1.7
115.05465	3.0
117.07024	10.2
119.04951	15.5
119.08589	100.0
121.06509	9.7
121.10143	28.4
122.10925	1.2
123.04448	7.0
123.08074	56.5
123.11720	7.1
125.06002	6.6
125.09626	12.9
127.03929	8.1
127.07558	3.1
128.06239	9.8
129.07007	21.8
131.04936	1.8
131.08559	8.4
132.02121	1.7
133.06516	9.7
133.10138	40.9
135.04422	1.9
135.08073	10.0
135.11696	32.2
135.12723	1.8
137.06006	5.8
137.09618	15.1
137.13252	2.8
139.07480	3.1
139.11182	1.9
141.05498	1.8
141.09111	22.4
143.08571	30.2
145.04999	7.9
145.06448	3.5
145.10143	13.9
146.07272	2.2
147.04443	8.5
147.08057	89.0
147.11682	21.7
148.05190	1.2
149.09633	20.4
150.03175	1.5
151.03896	1.4
151.07555	19.7
151.11176	12.4
153.01907	2.0
153.05490	3.1
153.09108	2.2
156.09357	2.9
157.06512	4.2
159.11728	4.1
161.05995	10.9
161.09625	43.1
161.13254	24.8
163.06033	1.4
163.07498	2.3
163.11192	21.1
165.05496	10.8
165.09120	19.1
165.12743	5.5
167.10707	9.2
169.08620	3.9
171.08022	2.5
171.11674	4.7
175.03940	11.3
177.09137	1.3
177.12778	5.2
179.07048	16.3
179.10674	14.4
179.14294	6.4
181.08554	1.6
181.12215	7.8
183.13829	4.0
189.09125	29.0
189.12749	18.9
192.04213	4.8
193.04924	1.4
195.10175	16.7
195.13847	4.3
207.06664	18.9
207.10184	97.3
207.13783	55.3
225.05666	1.3
225.07550	3.5
225.09222	2.0
225.11230	40.0
225.14812	33.7
225.19586	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	22.9
69.78106	10.5
71.95291	2.3
75.03107	1.7
82.01453	2.1
82.99841	6.3
84.96055	2.1
98.97594	26.5
101.00893	61.0
101.95024	4.0
116.98597	9.2
119.01939	100.0
120.02026	1.9
124.02466	11.5
129.00566	1.9
131.01060	2.4
136.00175	1.8
137.01096	2.8
137.02965	12.7
142.03516	70.5
142.12454	2.0
145.03543	2.1
148.48465	1.7
155.00302	4.1
155.01894	1.8
158.97231	3.2
160.04555	12.6
161.02979	26.2
162.99301	2.2
167.00243	2.8
170.51363	1.8
176.98280	2.0
177.00958	3.5
178.98743	2.4
179.04034	38.6
181.00026	4.5
181.97758	2.3
182.99669	3.0
184.04626	8.1
187.51582	2.0
187.99281	2.5
190.00629	1.9
190.49573	12.8
190.99576	1.7
196.52036	2.8
199.01015	3.4
199.50125	14.1
200.70555	1.8
201.51363	2.4
202.00575	1.9
202.05632	4.8
208.01706	2.0
210.51945	7.7
211.00862	3.7
238.95648	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	224.1281
Annotation	Maokonine
Peak:m/z	Relative Intensity
55.05497	0.7
56.96565	0.9
58.06609	3.4
59.05003	1.1
66.39671	0.5
68.05038	1.8
69.03463	0.5
70.06594	1.1
71.05006	0.7
71.32472	0.9
73.17429	0.6
79.05503	4.9
81.07043	0.8
82.06555	0.8
83.07328	0.7
85.02889	0.8
90.48621	0.5
90.90566	0.5
91.05474	7.5
91.06023	0.7
93.03393	0.7
93.07029	1.0
97.02892	0.6
98.97573	1.3
103.05479	12.2
105.03386	0.7
105.07034	34.1
107.04948	5.6
109.56726	0.6
112.99024	0.6
115.05490	1.0
117.07009	1.5
118.06554	12.7
119.07333	1.5
119.08604	1.1
120.08112	18.5
120.08955	1.3
121.06525	2.4
121.97475	0.5
124.07609	1.1
128.06232	5.1
130.06509	2.8
131.04924	3.1
131.07310	3.0
131.08574	1.8
132.08069	1.7
133.09978	0.5
139.34073	0.6
143.08553	3.5
145.08829	0.7
147.04372	0.8
147.08060	2.3
149.05995	2.2
158.09622	0.9
160.11220	100.0
161.11636	0.8
175.07562	3.1
177.09106	0.9
178.12273	91.9
179.12675	1.1
206.11775	26.5
207.10066	0.6
212.31613	0.6
222.90245	0.5
224.12816	57.3
225.14868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08582	1.6
56.96570	2.6
57.15851	1.7
69.69533	5.4
69.69941	5.3
73.97205	1.6
82.99828	8.9
84.96046	1.7
98.21462	3.1
98.97598	5.0
101.00882	64.7
105.17315	1.7
116.98627	2.0
119.01928	100.0
124.02458	11.4
137.02957	13.7
140.98807	2.1
141.81261	1.6
142.03506	73.2
143.01921	3.1
143.03578	1.9
158.99915	5.8
160.04607	10.1
161.02960	35.0
165.05124	2.3
177.00949	17.4
179.04018	32.0
181.49367	2.2
184.04558	6.4
187.99309	6.9
190.49529	18.7
190.99669	2.6
199.50061	26.1
200.00154	2.4
201.00864	3.1
202.00369	10.3
202.05608	4.6
211.00862	5.4
217.04163	2.5
218.57954	1.8
219.02002	20.1
219.06879	1.8
220.94604	2.1
238.95586	16.5
243.02022	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	223.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01913	2.4
55.05513	60.1
57.07081	32.5
66.77598	2.3
67.05508	2.5
69.07071	100.0
71.08630	22.4
71.20551	2.7
73.25101	1.8
81.07030	2.9
83.08624	71.0
85.10181	10.8
88.20092	2.1
97.10168	57.0
111.11721	29.5
123.08042	2.9
125.13302	9.3
143.60382	2.2
149.02368	7.8
159.11726	2.3
217.76413	2.1
223.16885	2.9
233.79559	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	223.2057
Annotation	(2E,6E)-Farnesol
Peak:m/z	Relative Intensity
53.34438	2.4
55.05513	31.0
56.20628	2.6
57.07067	9.0
59.04988	3.9
65.03923	3.3
67.05176	3.3
67.05507	39.3
69.03391	2.5
69.07070	33.3
69.99278	6.8
69.99681	5.2
71.04987	14.3
79.05480	19.0
81.06593	3.5
81.07062	64.2
83.08623	98.6
83.27631	2.1
85.06549	90.4
91.05481	6.4
93.07050	37.3
95.04948	6.5
95.08609	56.4
97.06547	16.1
97.10179	6.4
98.97601	3.9
99.08118	4.2
101.09636	3.8
105.07018	3.8
107.08605	34.0
109.06502	3.3
109.10162	100.0
111.08083	5.8
111.11729	3.2
113.09642	4.1
117.07040	2.6
117.86375	2.3
119.08517	2.5
121.06472	3.1
121.10140	30.1
123.08054	3.2
123.11714	74.6
125.09602	5.2
126.01077	2.7
127.11211	9.5
131.08521	3.6
135.11699	23.5
137.13263	5.4
139.11172	2.8
145.06494	2.5
149.02333	15.3
149.13266	54.0
159.11784	4.0
163.01317	2.2
163.11237	5.1
163.14818	3.6
167.14352	16.9
177.05295	2.5
177.12779	2.8
177.16464	4.8
179.18010	4.5
181.10016	3.0
205.19536	23.7
223.05856	4.2
223.07742	3.5
223.11212	5.8
223.13293	24.3
223.16954	9.3
223.20589	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
50.34602	1.4
53.03945	3.6
55.01874	3.9
55.05502	8.9
56.96560	3.3
57.03431	3.1
57.07094	1.8
59.04991	4.4
62.85238	1.5
67.05507	9.3
68.28146	1.3
69.03433	11.8
69.07061	6.6
70.86325	2.3
70.86693	3.0
71.04984	2.5
73.02888	1.9
77.03938	1.9
79.05495	9.6
81.03413	4.9
81.07056	11.3
83.04980	16.6
85.02904	11.9
85.06544	6.9
88.03979	2.7
91.05488	16.7
93.07043	31.0
94.06570	7.0
95.04971	13.5
95.08591	11.3
97.02884	2.2
97.06525	5.0
97.10201	3.5
98.97599	18.8
102.05540	2.8
103.05483	2.1
105.04501	1.7
105.07034	22.1
107.04993	3.0
107.08604	21.1
109.06518	48.9
109.10139	6.2
111.08067	9.6
113.02380	3.0
113.05988	11.0
115.05441	2.2
116.98669	4.0
117.07017	8.2
117.85389	1.4
118.06562	5.1
119.08604	20.8
120.04430	1.8
121.06511	49.0
121.10140	16.4
123.04484	1.9
123.08057	12.4
123.11739	3.4
125.05968	1.6
125.09564	1.8
129.07024	3.6
131.08588	5.7
133.10117	19.3
135.08060	29.8
135.09018	2.8
135.11694	9.4
136.07559	8.8
137.09619	16.4
139.07544	6.8
143.08656	2.1
144.09369	3.1
145.06476	2.6
145.10110	14.1
146.06015	6.9
146.07170	3.0
147.07980	7.0
147.11699	2.5
149.02368	9.1
149.05965	3.6
149.09616	100.0
149.13184	2.5
149.75560	1.5
151.07503	2.4
151.11214	7.7
153.01779	1.7
153.09067	2.6
158.99649	5.3
159.08083	4.6
159.11711	16.7
161.09628	23.5
162.03206	4.7
163.11171	18.6
164.06998	1.7
165.09117	13.4
167.07060	6.2
169.10175	2.1
172.08855	3.0
174.05563	2.8
175.11215	3.4
176.80881	1.8
177.00652	3.7
177.05478	12.6
177.09128	3.8
177.12758	19.7
179.10689	27.4
187.11186	11.1
195.13818	1.9
202.06779	2.2
203.07460	2.0
205.04921	10.1
205.08549	4.1
205.12230	44.2
206.08203	2.9
223.02428	10.8
223.05850	12.4
223.09637	4.1
223.13268	46.2
225.04301	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01863	3.4
55.05506	1.8
56.96336	1.5
56.96573	13.3
57.03440	2.6
57.07068	2.1
59.05000	1.6
59.87352	1.2
61.02899	2.4
66.92267	1.5
67.05499	5.2
69.03436	7.4
69.07069	2.6
70.06568	2.0
70.09257	6.1
71.04984	1.9
73.02929	2.3
79.05495	7.0
81.03415	3.9
81.07050	8.4
83.04971	6.1
83.08628	1.3
83.79385	1.3
84.96014	2.0
85.02910	5.2
91.05499	7.4
93.07049	9.2
95.04976	4.9
95.08619	4.8
97.02870	2.9
97.06550	2.3
98.97588	25.7
99.04442	2.2
100.42405	1.4
102.96864	3.2
103.05487	7.4
105.03373	5.0
105.07053	8.4
105.87750	1.3
107.04971	2.9
107.08601	7.3
109.02888	3.2
109.06492	3.9
109.10175	3.0
111.08099	1.8
115.05468	1.6
116.98631	10.5
117.07063	8.3
119.01899	1.5
119.08593	5.4
120.08115	100.0
121.02908	2.3
121.06513	5.7
121.10139	6.0
123.04404	3.3
123.08071	7.6
123.11725	2.2
125.05952	1.4
125.09659	2.3
128.02338	1.6
128.98615	1.6
131.04922	5.4
131.08592	5.3
132.05249	2.6
133.06430	1.7
133.10132	5.9
134.99626	3.3
135.08046	4.8
135.11710	2.2
137.05951	4.6
137.09650	2.0
139.03931	13.2
139.07570	3.5
141.03094	1.8
145.06476	4.3
145.10162	3.2
147.04472	3.0
147.11699	5.1
148.04755	1.9
149.02361	17.9
149.05969	3.1
149.09627	3.2
150.03174	1.8
151.03938	2.8
158.05972	2.1
158.99689	14.4
159.04408	5.1
159.08102	4.0
159.11696	2.9
162.99045	2.1
163.03970	3.0
163.07532	3.9
163.11194	5.8
167.03372	1.7
167.07065	5.5
175.08728	2.4
176.09056	1.7
177.00752	16.9
177.05437	6.2
177.09113	7.8
177.12715	2.7
179.71530	1.6
182.02296	2.3
191.02850	7.9
195.04884	2.8
195.06540	5.6
195.08107	1.6
201.00790	1.5
202.05002	1.5
205.08417	2.2
205.10205	3.4
205.12292	6.5
208.09406	1.7
213.00768	2.5
214.06772	2.4
214.08589	4.5
218.03183	1.6
223.05862	11.5
223.09442	5.8
223.11331	8.4
223.13368	7.1
223.17070	3.1
225.04291	12.2
227.02206	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	222.116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.05516	63.2
58.99589	3.3
69.74824	2.5
76.02241	1.5
77.02633	0.4
81.07075	0.6
83.08624	100.0
84.37885	0.5
86.99055	5.1
94.80933	0.6
98.21461	0.6
101.08212	0.6
101.09664	17.4
105.00099	6.8
119.04978	0.6
122.02746	1.5
130.06535	0.8
131.04922	0.7
132.89461	0.5
136.06166	2.7
147.04408	3.1
148.06166	1.0
148.07515	0.5
153.42659	0.5
159.08382	1.5
159.58524	0.5
163.07416	0.5
176.06969	1.1
187.07826	0.5
205.08945	23.4
222.11362	3.9
222.13460	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	222.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09085	1.7
50.68557	1.5
54.86190	1.8
55.01865	5.5
55.05507	3.3
56.96301	2.6
56.96568	37.0
57.03196	2.7
57.03440	33.4
58.03772	2.0
59.04993	2.1
61.02933	72.1
62.03271	3.1
65.68686	1.5
68.61335	1.5
69.03436	12.5
69.76955	7.3
70.98134	8.2
70.99842	2.7
71.01334	2.6
71.04987	4.7
71.95254	2.4
73.02926	19.7
75.04441	2.5
81.01031	3.1
81.03427	10.8
82.01442	2.0
83.04993	1.9
84.96024	3.6
85.02915	26.3
86.03218	2.1
86.03683	5.7
87.04446	3.8
88.99152	2.3
89.00779	3.1
90.01556	1.6
96.01575	3.4
97.02904	11.1
97.96775	3.1
98.01299	4.2
98.21461	2.2
98.97591	100.0
99.04447	4.1
100.02477	4.0
100.05233	3.3
101.00842	5.6
101.02413	3.4
102.96838	4.0
103.00607	3.7
104.01310	3.0
105.07057	1.9
108.01574	2.5
109.02895	6.6
110.01290	12.0
110.97608	12.9
112.99132	3.6
113.00851	4.1
113.02358	3.8
115.00655	2.2
115.02422	2.3
116.01271	3.8
116.98629	35.7
117.02091	3.2
118.01045	3.1
119.01836	36.4
120.02030	3.5
121.01674	2.8
124.95466	3.9
124.99113	5.5
125.01777	4.7
126.02594	2.6
126.97115	2.0
127.02433	2.8
127.03926	7.4
128.02322	51.3
128.52536	2.4
128.98622	14.1
131.00133	6.6
131.01863	7.8
132.01953	2.4
133.01546	3.2
134.02316	2.5
134.99670	6.0
135.03104	4.4
137.01903	2.9
137.02818	15.6
139.01538	2.4
139.53130	1.9
140.00197	6.2
140.02423	2.1
140.98592	3.3
141.01233	4.4
141.03059	4.7
141.99861	1.6
142.96532	4.2
143.00177	7.5
143.01807	3.9
145.03444	6.3
146.02281	3.1
146.99625	9.0
147.03091	2.4
148.02048	2.6
150.01729	2.8
150.97046	3.8
152.53310	2.0
152.98602	2.7
153.01254	5.7
153.03067	2.0
155.02902	2.7
156.97522	1.9
157.03445	4.7
158.01257	7.8
158.03514	3.4
158.99667	11.3
159.03149	2.3
161.01189	4.5
161.02855	5.7
161.53798	1.9
162.01788	12.5
162.03578	3.0
162.99179	3.3
163.04552	2.1
165.00688	1.8
167.01909	2.6
168.01727	10.7
168.98051	5.7
169.02644	8.7
170.01476	3.0
170.95996	2.6
170.99667	6.7
171.02312	2.2
173.01221	3.5
173.02766	2.0
174.01790	4.5
174.03723	1.6
174.99129	4.2
176.03398	3.8
176.09171	2.8
177.00638	5.2
177.02345	9.0
177.04039	3.2
177.99675	4.2
178.03027	2.7
181.05252	2.7
182.03246	2.1
182.99770	2.2
183.02364	20.5
184.97589	3.9
185.02914	11.9
186.99190	5.0
187.02536	2.7
188.01741	1.8
188.06085	2.6
188.97095	4.4
189.00691	7.2
191.02298	2.9
191.03949	2.7
192.02878	7.7
192.04475	2.0
193.00189	3.2
198.99094	7.4
199.02795	3.8
199.04533	5.8
200.04248	4.2
201.00764	4.4
201.04300	2.6
203.03928	2.3
204.02847	5.6
206.07130	2.2
207.01776	4.1
207.05081	1.8
208.04536	6.5
212.55367	4.9
213.03383	13.4
213.05241	4.1
217.00211	20.4
217.05551	2.7
218.05754	2.6
219.01813	6.8
222.01990	5.1
222.05885	4.1
222.09790	2.8
230.98114	3.9
235.01308	4.1
236.06816	5.4
237.03011	8.4
237.06313	2.5
244.99722	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
54.33460	2.8
55.01844	3.3
55.05500	13.0
57.07067	12.4
67.05514	19.8
69.07069	23.9
70.39960	3.6
70.40289	7.5
71.05000	20.5
75.81270	2.9
79.05503	19.0
80.15294	2.7
81.06586	5.9
81.07058	93.5
83.08618	9.5
85.06536	6.4
87.72626	2.7
91.05479	19.3
93.07045	48.9
95.08610	59.4
97.06546	10.4
97.10168	7.5
97.72706	2.9
98.97587	3.8
99.08101	7.1
105.07037	65.7
107.08599	69.3
109.06522	3.5
109.10160	49.6
111.08086	12.6
119.08587	69.7
121.10149	26.0
123.08081	6.4
123.11716	31.3
127.11200	7.5
131.08569	4.0
133.10138	41.0
135.11696	96.1
135.12726	5.5
137.09601	6.5
137.13255	5.0
145.10132	8.0
147.11696	70.8
149.13286	20.8
151.11201	5.2
159.11670	4.1
161.13268	23.5
163.14851	10.8
165.12729	3.5
175.14807	6.6
177.16431	4.8
203.17964	100.0
216.98692	3.5
221.15492	6.4
221.19017	87.4
221.21094	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	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05518	15.1
57.03419	2.0
57.07068	3.8
59.79548	1.7
60.70085	1.6
64.93354	1.8
67.05504	15.9
69.07070	17.1
70.22247	6.2
70.55428	2.0
71.04996	14.3
78.21484	1.7
79.05493	19.4
79.23296	2.0
81.07064	84.9
83.04974	3.7
83.08604	8.7
85.06544	2.7
91.05489	13.4
93.07053	40.6
95.08002	2.8
95.08612	51.3
97.06538	5.8
97.10203	3.6
99.08082	4.4
105.07035	42.4
107.08603	62.6
109.06504	3.1
109.10166	46.6
111.08092	7.8
111.11749	2.1
112.08354	2.1
113.09699	2.2
119.08585	55.9
121.10147	17.7
123.08081	2.9
123.11724	33.2
125.09633	4.2
127.11199	7.0
131.08577	2.7
133.10136	33.1
135.11702	100.0
137.09601	3.0
137.13301	4.4
145.10153	3.3
147.11688	45.9
148.45688	2.3
149.13266	15.7
151.11185	4.5
161.13272	20.0
163.14832	8.9
165.12836	2.8
175.14842	5.8
177.16435	5.3
203.17970	77.3
221.15462	4.9
221.19048	64.0
241.80644	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.50040	1.4
53.03917	1.6
55.05516	15.5
57.07090	8.2
59.04980	1.4
64.46696	1.4
67.05511	26.6
69.03436	2.6
69.07070	21.1
69.63935	4.1
69.64343	3.6
70.62023	1.2
71.05000	4.4
71.08624	1.3
79.05500	13.2
81.07068	48.2
83.05009	2.8
83.08628	9.2
85.06561	5.2
91.05488	14.7
93.07056	40.1
94.64664	1.3
95.04987	2.5
95.08617	73.0
97.06541	13.2
97.10169	6.2
99.08105	3.5
105.07040	52.0
107.08611	53.0
109.06506	1.5
109.10170	74.5
111.08092	15.0
113.09658	2.7
119.08598	38.3
121.10160	55.1
123.08072	7.2
123.11719	42.0
125.09645	4.9
131.08592	3.2
133.10144	41.6
135.11719	16.7
137.09645	6.9
137.13269	4.8
139.11238	2.1
145.10191	4.2
147.08116	1.8
147.11708	66.6
149.13268	20.1
151.11142	8.2
159.11713	4.0
160.12415	1.6
161.09673	1.5
161.13269	30.4
163.14839	17.4
165.12744	8.0
175.14893	10.5
177.16406	20.3
203.17979	100.0
215.37642	1.3
221.04575	1.7
221.15479	3.4
221.19049	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1903
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05514	2.9
57.07082	3.3
64.61845	0.4
67.05507	6.0
67.28397	0.5
69.03432	1.7
69.07070	5.5
69.63594	1.5
69.64004	1.1
71.05015	0.7
71.08582	0.6
79.05493	3.3
81.07063	36.4
83.04960	0.7
83.08620	1.1
91.05481	3.6
92.86485	0.5
93.07052	5.0
95.05033	0.5
95.08613	18.3
95.53319	0.4
97.06536	0.6
97.10214	0.7
98.97574	0.5
99.08100	3.2
99.87831	0.5
105.07041	11.6
107.08595	6.7
109.06534	0.9
109.10169	11.1
111.08118	1.4
113.09620	0.5
117.07024	0.5
119.08588	12.0
121.10146	7.9
123.11718	100.0
131.08585	0.7
133.10146	8.1
135.11746	2.0
137.09657	1.1
137.13246	1.5
145.10109	1.0
147.11708	14.6
151.11177	4.0
156.37315	0.4
159.11725	1.0
160.12477	0.6
161.13284	6.8
163.14844	3.5
165.12816	0.8
175.14888	1.5
177.09151	1.4
203.17975	35.5
221.08102	1.0
221.15540	1.2
221.19046	11.1
232.66675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1903
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03946	1.8
55.05518	12.8
57.07080	5.0
67.05515	20.1
69.03421	2.6
69.07073	19.9
69.98589	3.4
69.98998	6.1
71.04996	10.5
79.05502	14.5
81.07066	65.6
83.04985	3.2
83.08633	9.5
85.06594	3.2
91.05483	13.2
93.07053	38.1
95.08620	52.1
97.06540	9.6
97.10197	4.4
98.21259	4.1
99.08117	3.6
105.06313	2.2
105.07040	52.7
107.08608	57.1
109.06550	3.9
109.10168	65.3
111.08083	42.1
113.09644	2.9
117.07011	2.1
119.08598	50.1
119.10378	1.8
121.06544	3.0
121.10155	26.6
123.08077	13.3
123.11716	38.3
125.09625	2.1
127.11186	3.9
131.08534	2.5
132.68860	1.6
133.10150	43.6
135.11711	68.3
137.09647	8.8
137.13249	6.5
145.10149	4.9
147.11702	60.7
149.02327	3.0
149.13264	25.2
151.11206	2.6
159.11710	2.2
160.12459	2.7
161.13290	30.1
163.14842	7.2
165.12791	6.5
175.11195	4.3
175.14888	4.5
177.16328	2.4
203.17973	100.0
205.04999	7.4
206.05783	14.1
221.08121	69.7
221.11557	2.7
221.15483	3.8
221.19044	99.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1903
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.01879	1.0
55.05521	9.7
57.07079	6.2
59.04993	1.2
60.63989	0.7
67.05514	14.5
69.03423	2.2
69.06729	1.0
69.07076	13.7
71.04989	3.5
71.08627	0.7
79.05069	1.0
79.05505	8.9
80.09599	0.7
81.07068	59.1
83.04971	1.9
83.08627	4.0
85.06538	1.4
91.05488	10.9
93.07057	13.1
95.04951	1.6
95.08621	43.5
97.06516	2.3
97.10159	1.7
98.97566	1.4
99.04465	0.9
99.08112	3.9
105.07043	28.2
106.07376	0.8
107.04958	1.4
107.07894	0.9
107.08614	21.7
109.06513	2.5
109.10171	29.1
111.08076	3.4
111.11730	1.1
113.09693	0.9
117.06989	1.7
119.08605	30.3
121.06505	1.8
121.09242	0.9
121.10155	15.6
123.08092	2.7
123.11725	100.0
125.09630	1.2
129.07043	1.0
130.06543	1.0
131.08560	1.8
133.06569	1.1
133.10152	18.5
135.08067	1.7
135.11710	10.7
137.05971	1.6
137.09637	4.6
137.13205	2.3
143.08517	1.3
145.10129	3.3
147.04388	1.1
147.08015	2.0
147.11708	34.8
149.02354	3.8
149.13280	5.1
151.07568	1.2
151.11203	4.8
157.10147	2.1
159.11708	2.3
160.12498	1.3
161.06000	1.3
161.09653	1.8
161.13284	13.7
163.11203	1.2
163.14877	4.7
165.09099	1.0
165.12750	3.1
173.13248	0.8
175.07532	2.6
175.09792	1.0
175.11118	1.8
175.14821	3.6
177.09126	10.2
177.16336	1.7
178.09863	0.9
179.03336	0.9
179.10760	1.3
185.13214	0.8
188.15691	0.9
193.08632	1.7
193.15901	0.9
203.10770	2.1
203.17986	71.7
206.16182	1.3
221.04366	1.4
221.07997	1.9
221.10170	3.3
221.11795	2.9
221.15474	6.2
221.19058	22.8
231.48053	0.8
237.32852	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1903
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.50988	0.9
53.03939	1.3
55.01868	2.1
55.05267	1.4
55.05517	19.0
57.03444	1.9
57.07080	5.1
59.05009	1.2
67.05512	27.4
69.03423	2.6
69.07075	14.5
70.10350	2.1
70.10716	2.0
70.93312	0.9
71.04997	3.5
76.42583	0.8
79.05500	8.3
81.06600	1.4
81.07065	26.8
83.04984	1.4
83.08630	16.1
85.06541	4.9
91.05487	12.2
93.07057	23.9
95.04972	3.5
95.08617	46.7
97.06519	1.6
97.10182	1.3
105.07043	48.9
107.04908	1.0
107.08607	41.5
109.06516	4.0
109.10168	100.0
111.08088	4.7
113.09669	5.3
117.07051	2.2
119.08595	36.3
121.06506	1.4
121.10158	27.4
123.08107	9.5
123.11723	30.7
125.09623	2.2
130.06526	1.5
131.08633	1.9
133.06413	1.1
133.10146	27.7
135.11697	8.4
137.06020	1.3
137.09631	2.6
137.13226	1.3
139.11185	1.2
145.10098	2.8
147.11702	58.0
149.02364	4.2
149.13278	55.8
151.11197	14.2
159.11691	2.6
160.12492	2.5
161.09641	2.5
161.13271	21.3
163.14874	7.3
163.16054	1.5
165.12772	7.1
175.07460	1.5
175.08766	1.3
175.11203	4.1
175.14842	4.3
177.16397	3.2
193.15936	1.0
203.10663	2.3
203.17976	91.5
221.04428	1.5
221.11827	5.2
221.15407	3.2
221.19034	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.70897	1.4
55.05496	7.3
55.94422	1.5
56.96576	1.4
57.07064	5.4
59.05003	17.2
67.05510	20.5
69.07089	7.4
79.05482	4.5
81.06591	2.9
81.07059	43.9
83.08607	6.6
85.06560	8.7
91.05466	4.6
93.07050	13.1
95.08612	62.1
95.34709	2.0
97.10178	3.2
97.31078	1.3
105.06390	2.3
105.07040	25.7
107.08599	27.7
109.10161	72.4
111.08085	1.8
112.49456	1.3
114.64776	1.3
119.08584	35.9
119.50993	1.5
121.10136	23.7
123.11726	13.3
125.09646	6.7
131.08557	1.6
133.10139	32.6
135.11688	5.8
137.13181	1.6
139.11206	7.1
147.11690	39.3
149.13266	3.6
151.11185	4.6
160.84090	1.5
161.13255	27.4
163.14819	23.2
175.14818	20.4
177.16400	11.8
203.17961	100.0
221.19022	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.55646	1.4
53.03941	1.9
55.05507	7.1
57.07064	6.8
67.05511	8.6
69.07064	9.5
69.95355	7.0
69.95719	2.5
71.04992	3.4
79.05475	5.4
81.07056	22.2
83.08614	4.1
85.06544	2.3
91.05474	12.9
93.07040	26.7
95.08610	37.9
99.08090	7.0
105.07034	40.4
107.08602	59.6
109.06500	1.8
109.10160	25.3
111.08089	3.4
113.09655	1.5
119.08588	47.1
121.10142	14.5
122.72840	1.5
123.08070	2.9
123.11723	28.1
125.09599	2.4
127.11228	3.4
133.10143	36.5
135.11699	92.5
137.09546	1.7
145.10103	3.1
147.11694	76.1
149.13280	3.7
151.11177	3.3
161.13255	29.5
163.14850	10.3
165.12735	2.6
175.14825	4.2
177.16394	4.8
203.17969	100.0
221.19023	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03941	2.2
53.13797	1.3
55.05518	7.7
57.07066	4.1
59.04994	3.1
65.03915	1.4
67.05506	26.8
69.03390	1.2
69.07069	19.0
71.04980	4.0
79.05492	15.9
80.17410	1.3
81.07061	64.3
82.93545	1.2
83.04955	1.3
83.08621	6.6
84.69215	1.2
85.06528	3.2
91.05473	16.9
93.07044	26.1
94.17692	1.4
95.08612	85.2
97.06541	7.1
97.10155	5.6
105.07033	42.5
107.07875	2.3
107.08599	41.1
109.10165	66.6
111.08075	5.6
111.11703	3.9
113.09657	1.5
119.08582	32.9
121.10146	33.0
123.08077	2.8
123.11709	16.3
125.09585	1.8
131.08662	1.3
133.10141	31.0
135.11688	7.3
137.09624	1.5
137.13255	3.4
139.11148	1.6
139.35606	1.4
145.10118	1.5
147.10512	2.2
147.11691	45.6
149.13254	6.5
151.11201	7.1
157.36020	1.2
159.11624	1.4
161.13258	20.2
163.14842	13.1
165.12759	3.2
175.14854	11.9
177.16415	2.3
192.17339	1.3
203.17964	100.0
221.15508	3.2
221.19023	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1903
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.57809	0.7
53.03940	0.9
54.50021	0.6
55.05516	5.6
55.45953	0.8
55.76554	0.7
56.59425	0.7
57.07052	1.9
57.74337	0.7
59.04973	1.0
66.86946	0.7
67.05511	8.7
69.07079	8.1
71.05000	13.1
79.05503	7.7
81.06610	1.3
81.07065	24.6
82.34999	0.7
83.08600	3.3
85.06526	1.8
91.05484	5.7
93.07059	14.4
95.04953	0.8
95.08617	45.5
96.27412	0.7
97.06523	1.0
97.10171	1.4
99.08060	0.9
105.07042	19.3
107.08606	41.8
109.10165	24.0
111.93552	0.7
119.08599	19.3
121.10161	16.3
123.11716	5.7
125.09604	1.7
131.08504	0.9
133.10149	18.0
135.11694	8.1
137.09605	0.9
137.13246	2.1
145.10086	1.5
147.11699	35.0
149.13251	2.6
151.11270	1.2
151.14807	1.6
161.13255	10.0
163.14832	15.7
165.12750	1.7
175.14821	6.6
177.16388	7.9
203.17972	100.0
204.18298	1.0
221.15434	1.6
221.19031	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	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.60237	1.2
53.03944	1.3
53.78360	1.0
54.60209	1.1
55.05509	6.9
57.07063	3.1
59.04984	3.0
67.05509	10.1
69.07075	18.1
69.18557	12.2
71.04994	15.9
71.08609	1.2
79.05504	10.1
81.07059	29.9
82.89788	1.0
83.08633	6.3
85.06535	3.8
91.05486	7.1
91.05952	1.1
93.07049	18.0
95.08613	44.1
97.06510	1.4
97.10163	2.1
105.07034	32.3
107.08604	46.1
107.70749	1.0
109.10178	25.7
111.08076	1.3
111.11739	6.6
113.25340	1.1
119.08591	25.5
121.10150	20.0
123.08068	1.1
123.11716	10.7
125.09624	3.3
131.08543	1.7
133.10135	21.9
135.11670	7.3
137.09604	2.1
137.13283	3.6
139.11250	1.4
139.94858	1.3
145.10136	2.0
147.11693	45.1
149.13298	2.5
151.11227	1.6
151.14835	2.2
155.27527	1.1
159.11653	1.3
161.13268	27.7
161.14587	1.6
163.14841	33.2
165.12834	1.5
175.14854	7.9
177.16432	9.5
203.17972	100.0
204.18407	1.5
221.19025	68.0
241.17757	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.30079	2.0
55.05511	17.4
57.07068	7.1
59.05006	3.5
67.05504	27.0
69.07076	23.2
69.50927	11.9
69.51340	5.6
71.05000	12.5
79.05501	14.6
81.07062	88.1
83.04961	2.5
83.08606	11.2
85.06530	3.0
87.05890	2.5
91.05478	24.9
93.06483	3.6
93.07050	47.5
95.04982	4.0
95.08610	59.5
97.06530	8.5
97.10155	4.2
98.21484	3.5
99.08106	4.5
105.07037	68.6
107.07876	4.2
107.08601	70.2
109.06512	6.6
109.10162	91.1
111.08083	18.5
113.09659	5.4
114.60213	3.0
119.08589	80.2
121.10145	36.0
123.08067	5.6
123.11703	40.2
125.09617	3.0
125.33584	2.3
127.11201	6.2
133.09137	2.4
133.10139	38.6
135.10690	4.9
135.11700	71.0
137.09624	5.1
137.13277	5.0
143.08685	3.2
145.10152	4.6
147.04395	2.5
147.11691	68.4
149.13254	39.4
151.11201	13.6
161.13280	34.8
163.14816	7.7
165.12773	7.7
175.14874	8.3
177.16422	2.9
203.14357	4.2
203.17966	100.0
221.08000	4.5
221.15422	9.2
221.19020	85.8
233.32390	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05514	8.4
55.60547	1.0
57.07063	4.6
59.04993	1.4
67.05508	17.6
69.07075	15.3
71.05009	2.6
71.38508	1.5
71.38863	1.4
79.05495	9.4
81.06590	2.3
81.07062	38.3
83.04989	1.2
83.08624	5.8
85.06548	2.2
91.05474	12.0
93.07053	24.7
95.08611	46.6
97.06524	3.9
97.10168	3.2
105.07038	36.7
107.08601	34.0
109.06524	1.4
109.10168	36.9
111.08103	7.3
119.08590	30.5
121.10144	20.8
121.34209	1.0
123.08085	2.2
123.11723	14.4
125.09642	1.7
133.10139	27.9
135.11711	7.4
137.09633	2.1
137.13249	2.3
147.11700	42.7
149.13254	6.8
151.11179	2.4
161.13264	18.8
163.14835	11.7
165.12732	4.4
175.14828	10.2
177.16360	2.5
195.28246	1.0
203.17975	100.0
221.19011	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	Oblongolide
Peak:m/z	Relative Intensity
55.05515	11.3
57.07059	4.5
65.03906	1.1
67.05512	10.9
69.07069	13.4
71.04980	3.9
71.52814	1.8
75.74359	1.0
79.05494	12.6
81.07062	75.3
82.67992	1.3
83.01340	1.5
83.04964	2.5
83.08625	6.2
85.02914	2.5
85.06531	2.4
88.69283	1.3
91.05485	15.9
93.06493	1.6
93.07049	28.2
95.04951	2.3
95.08616	39.1
97.06512	4.6
97.10166	2.7
98.97552	4.9
99.04450	2.6
105.07037	50.1
107.07881	2.0
107.08596	38.1
109.06515	5.4
109.10161	14.9
111.03622	1.1
111.04420	3.9
111.08090	2.5
116.98611	2.6
117.07001	4.1
119.08588	98.6
121.06513	2.5
121.10149	24.0
123.08058	3.8
123.11713	10.6
125.05991	2.2
125.09644	1.9
128.06194	1.2
129.06967	1.5
131.08563	8.6
133.10138	44.5
134.99655	1.3
135.08067	2.1
135.11702	7.1
137.05937	1.4
137.13261	1.3
139.07498	1.5
141.07033	1.1
142.07768	2.4
143.08540	4.4
145.10158	9.6
147.08028	2.8
147.11693	28.9
149.09636	2.2
149.13243	4.9
151.07562	2.1
151.11194	1.6
157.10130	5.6
159.11688	6.9
161.09586	4.7
161.13281	19.9
163.08635	1.4
163.11203	3.1
163.14804	5.2
165.09100	2.5
165.12746	3.3
170.10959	1.1
173.13205	5.6
175.11229	2.6
175.14835	100.0
177.16409	1.7
178.07741	1.9
179.08531	1.6
185.13275	6.0
191.08571	1.2
191.14307	3.5
193.10115	2.0
193.15800	1.7
203.14331	17.4
203.17989	15.6
206.10954	5.9
221.04419	2.1
221.13242	11.5
221.15347	65.2
221.18823	14.3
223.35806	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03951	1.6
55.05511	9.7
56.96568	3.9
57.03438	1.4
57.07080	1.9
59.05009	1.9
67.05504	8.4
69.03435	2.5
69.07071	12.6
69.38072	1.6
69.38474	4.5
69.59869	0.6
71.05001	4.3
79.05494	10.9
80.15507	0.7
81.07061	52.3
83.04980	2.1
83.08624	4.5
85.02902	2.0
85.06548	2.1
91.05479	17.0
93.07048	49.1
95.04987	3.1
95.08612	24.8
97.06519	3.7
99.04475	2.6
99.08091	1.1
105.07035	50.2
106.07362	1.2
107.08601	29.5
109.06543	4.3
109.10168	8.8
111.04440	3.2
111.08089	9.3
113.06076	1.0
117.07039	3.4
119.08588	100.0
120.08813	0.9
121.06533	1.9
121.10149	36.8
123.08056	3.8
123.11703	8.6
125.06021	1.5
125.09656	1.1
128.06235	1.4
129.07010	2.9
131.08577	8.0
133.06468	0.8
133.10138	38.8
135.08105	4.2
135.09004	0.7
135.11656	4.6
137.06003	1.0
137.09619	1.9
137.13255	1.0
139.07561	2.0
139.11292	1.1
140.08324	0.8
142.07787	4.3
143.08540	5.4
144.09329	1.4
145.10126	9.9
146.10892	1.2
147.08058	3.9
147.11699	25.9
148.08749	0.9
149.09624	5.8
149.13260	1.9
151.07524	2.0
151.11121	1.1
155.08524	1.1
156.09309	2.6
157.10147	10.4
159.11700	9.3
160.12387	1.1
161.09642	6.9
161.13266	63.6
163.11194	7.3
163.14801	2.1
165.09119	5.5
165.12767	2.5
170.10953	2.0
173.13277	7.2
173.59297	0.7
175.11247	2.4
175.14835	73.8
177.12776	1.3
177.16331	1.6
179.08524	0.7
185.13274	9.5
188.59750	0.9
191.08583	1.6
191.14296	4.3
193.10100	0.7
193.15881	2.2
197.60460	0.9
203.14320	17.0
203.18015	9.2
206.10872	3.1
212.89281	0.7
221.13275	8.3
221.15350	57.2
221.18770	8.7
222.34196	0.7
225.37874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
50.41494	1.4
52.77140	1.3
53.03934	2.6
55.01873	3.2
55.05519	18.2
56.96589	1.6
57.03450	1.7
57.07064	6.8
67.05505	29.7
69.03423	1.6
69.06739	1.6
69.07079	23.9
70.78286	3.6
71.04999	19.0
73.06563	2.4
75.22852	1.5
76.29166	1.5
79.05074	2.3
79.05501	31.4
81.07063	74.9
83.04982	4.3
83.08618	8.4
85.02861	1.6
85.06532	4.4
91.04910	1.9
91.05489	58.0
93.07050	58.7
95.04995	2.5
95.08616	55.6
97.06522	5.8
97.10172	2.8
99.08079	2.3
101.65170	1.7
103.05471	2.0
105.07043	98.0
106.07396	1.8
107.08604	69.9
109.06512	4.9
109.10164	45.8
111.08108	2.4
117.07035	10.6
119.08592	100.0
121.06497	4.2
121.10155	30.7
123.08067	6.8
123.11727	26.7
125.09633	1.8
126.66074	1.5
127.11185	3.1
128.06227	2.0
129.07031	8.8
131.08589	9.5
133.06488	3.2
133.10150	51.0
135.08072	4.9
135.11708	42.7
137.06041	1.7
137.09628	4.0
137.13266	1.7
139.11142	1.5
143.08601	8.7
145.10120	4.1
147.08052	20.9
147.11696	70.3
149.09625	1.6
149.13277	20.7
151.07555	3.5
151.11201	4.0
153.09079	2.5
157.10161	4.0
159.11696	11.1
160.12285	1.5
161.09619	14.8
161.13272	88.5
163.14873	7.3
165.05699	1.6
165.09129	8.8
165.12759	3.7
175.11227	7.9
175.14822	23.8
177.16411	6.0
179.10693	5.0
185.13257	13.5
186.77499	1.4
191.08543	1.8
191.27148	1.4
199.77802	1.5
203.14328	30.5
203.17976	54.0
206.10977	2.7
221.09634	1.9
221.13283	6.9
221.15379	43.8
221.18991	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	221.0922
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.80864	0.5
56.96557	0.6
57.07068	1.2
57.79890	0.5
67.05480	0.8
69.86135	2.7
70.06600	0.9
81.07047	1.3
82.02946	1.3
89.32798	0.4
91.05484	0.9
94.06580	2.9
95.04951	0.5
95.08614	0.7
97.06557	0.4
98.97598	0.6
105.07034	1.1
107.08617	0.9
109.10158	1.2
111.08083	0.8
115.05442	0.9
121.06555	0.6
121.10163	0.5
129.77228	0.5
130.06532	47.2
132.04459	34.7
133.10094	0.6
135.08125	0.5
136.28000	0.5
137.09631	0.6
147.08075	0.7
147.09163	0.5
147.11647	0.5
148.07567	1.2
149.49918	0.5
152.64348	0.4
157.06572	0.4
157.07617	22.6
158.06020	70.2
165.09055	0.6
175.08679	100.0
176.07104	2.0
176.08937	0.7
186.05533	1.7
192.52751	0.5
193.15910	0.7
203.08310	1.4
203.10664	0.5
204.06575	4.7
221.09230	32.7
221.15390	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0924
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.05516	0.6
56.96560	1.5
57.07080	0.8
58.11379	0.5
65.48138	0.4
67.05504	0.7
69.19117	1.3
69.19535	2.7
74.02452	1.1
80.94569	0.4
81.07048	0.8
82.02968	2.1
83.63003	0.5
90.05551	1.4
91.05460	0.8
91.05965	0.5
94.06597	3.3
95.08611	0.5
97.02899	0.7
98.97601	4.6
103.05479	0.7
105.07011	0.9
107.08572	0.4
111.08110	0.5
115.05490	0.7
116.98627	1.7
119.08569	0.5
120.08126	0.5
121.06516	0.5
129.11130	0.5
130.06546	40.1
132.04474	31.2
132.05246	0.5
133.10127	0.5
137.06003	3.8
137.09679	0.6
138.06375	0.4
147.09184	0.6
148.07523	0.5
151.67482	0.4
157.06349	0.9
157.07645	18.5
157.10475	1.3
158.06039	64.2
158.99664	0.9
161.05980	0.4
162.05458	0.4
163.07581	0.6
165.09236	0.6
175.08698	100.0
176.07076	1.7
176.09085	0.7
177.00719	0.8
185.10031	1.5
186.05498	1.4
194.04448	0.6
200.05231	0.6
203.08398	0.6
203.11058	1.3
204.06570	3.7
209.05717	0.8
216.98022	0.4
221.09247	34.3
221.11926	1.4
228.98271	0.4
242.35713	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1697
Annotation	Fabianine
Peak:m/z	Relative Intensity
55.42232	0.1
70.81518	0.2
70.81824	0.1
76.64290	0.1
91.05464	0.2
102.55265	0.1
105.07071	0.2
106.06586	0.1
108.08890	0.2
118.06553	7.0
119.08556	0.2
120.08136	0.3
122.10516	0.2
131.08559	0.2
132.08076	2.1
132.09000	0.2
133.08873	0.9
133.09991	0.2
134.09645	0.4
134.10519	0.3
145.46016	0.1
146.09627	2.1
147.10426	0.3
160.11177	0.3
162.09143	4.8
176.10767	3.1
176.14352	23.7
177.11458	1.1
177.14641	0.2
178.12289	0.2
189.15056	0.3
190.09480	0.2
190.12262	2.6
191.13080	0.3
202.15758	0.8
204.13771	0.2
205.15910	0.1
220.16971	100.0
221.17325	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61390	0.7
55.01872	1.3
55.05517	1.1
56.01384	1.0
56.71413	0.6
57.07077	6.4
59.05005	5.2
61.02931	1.2
67.05512	4.7
67.70359	0.6
69.07076	5.8
70.02962	6.7
70.23865	2.7
71.01347	1.2
72.01706	0.9
72.04524	16.3
73.02937	3.7
74.02449	1.3
74.06128	0.9
75.04493	3.2
76.04832	1.3
79.05467	0.6
79.18572	0.8
81.07052	0.6
83.04987	1.1
84.04528	0.7
85.06557	10.0
86.09715	1.7
87.04465	0.8
87.08118	1.5
89.81243	0.8
90.05561	100.0
95.04972	8.3
96.08138	2.1
98.02428	16.5
98.09705	0.8
98.97552	0.7
100.03999	1.4
103.03929	2.1
103.07594	9.1
104.04300	1.9
112.07646	0.7
113.06001	4.4
116.03467	13.0
124.07600	17.9
131.07086	1.0
142.08661	7.4
144.10208	1.5
146.06000	1.9
156.10219	1.5
159.02896	2.6
160.03241	6.0
160.09715	3.0
166.08644	2.4
174.11310	3.3
184.09694	21.6
188.02654	0.9
202.10759	34.1
205.15944	1.0
218.63910	0.8
220.05623	1.0
220.11819	46.8
220.17645	1.5
234.15869	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Pantothenate
Peak:m/z	Relative Intensity
51.75146	1.5
52.76310	1.5
55.05497	3.6
55.78936	1.4
56.96553	6.4
57.03423	1.7
57.06830	1.7
57.07082	25.0
59.04986	4.8
61.02925	1.7
67.05505	8.3
68.42666	1.5
69.07061	6.7
70.02943	4.8
70.98080	2.0
71.01371	1.9
71.32914	3.3
72.04517	8.4
73.02899	3.8
74.02445	100.0
81.07037	2.2
82.02959	12.7
83.08618	5.6
84.04513	2.5
85.06548	26.9
86.09673	2.0
90.05563	53.1
91.05456	2.2
93.07047	10.4
94.06520	1.8
95.04950	4.4
95.08614	13.6
96.04494	24.5
97.02892	18.4
98.02438	7.6
98.97574	9.5
100.03968	7.5
100.71375	1.6
101.09662	15.8
103.07586	4.0
109.02827	1.7
110.06017	3.4
110.09682	10.2
111.08081	5.2
112.11210	5.3
114.05544	1.6
116.03443	8.4
116.56421	1.5
116.98653	1.9
121.06536	3.7
124.07612	9.0
128.07079	3.7
128.10716	24.9
128.98640	2.3
130.06496	4.0
132.04434	3.1
137.05997	4.4
138.08136	3.1
138.09148	39.0
139.07530	13.5
142.05014	5.8
142.08627	4.8
146.02390	4.6
146.04091	2.4
146.06017	5.0
150.05563	1.8
155.04643	12.2
156.10205	85.6
157.07573	2.0
158.06009	5.6
158.99693	3.9
163.04033	1.8
164.03435	9.9
166.08682	3.1
174.05508	4.8
174.11269	83.6
175.08649	9.1
177.00629	1.6
184.09705	86.9
185.08192	2.3
192.02927	7.1
195.85846	1.5
202.05252	2.3
202.10771	25.4
204.14729	2.1
205.15880	4.6
220.02432	8.0
220.05997	3.1
220.11812	93.0
220.17860	6.5
221.09221	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	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
51.28532	1.6
55.05518	8.0
66.78113	1.6
67.05495	17.0
69.03431	7.4
69.07074	10.1
69.24094	6.3
69.24516	9.0
69.81351	1.4
71.04987	5.1
79.05492	13.5
81.06591	3.5
81.07060	58.2
83.04990	2.8
83.08633	2.1
91.05487	13.6
93.07046	30.7
95.08060	2.8
95.08616	34.1
97.06531	11.8
97.10124	2.0
105.07042	35.6
107.04897	1.6
107.08598	37.5
109.06515	4.3
109.09469	2.7
109.10159	33.4
111.08078	6.3
115.05522	1.8
117.07016	9.8
119.07804	2.5
119.08588	28.1
120.90905	1.7
121.06487	3.7
121.10141	18.9
123.08074	6.7
123.11709	6.2
125.09663	7.7
131.08583	15.6
133.10162	14.2
135.08037	2.9
135.11699	31.2
137.09593	2.0
143.08549	2.4
144.09312	1.9
145.10123	46.4
147.11707	8.2
149.09714	2.7
149.13225	2.4
151.11261	1.9
159.11703	31.1
161.13246	18.8
163.11266	2.8
163.14804	2.0
163.65587	1.7
173.13301	10.2
175.14824	4.5
177.12828	2.2
177.16402	3.1
181.26700	1.4
191.14381	2.0
191.17973	6.4
201.16385	61.8
203.14291	6.6
211.80022	1.9
219.17456	100.0
220.17813	2.1
228.82904	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
53.03952	1.3
55.05515	6.5
57.07055	2.8
67.05494	4.9
69.03422	1.7
69.07068	16.9
69.85254	6.4
79.05488	4.4
81.07059	73.9
83.08619	2.3
85.06551	6.5
86.70200	1.2
90.54687	1.2
91.05487	9.8
93.06487	2.1
93.07050	35.5
93.61614	1.2
95.08616	15.3
97.10153	3.1
105.04489	1.5
105.07037	6.9
107.04922	1.4
107.08596	15.4
109.06522	33.1
109.10152	7.0
111.11710	1.9
115.05425	1.6
117.07012	4.5
119.08564	4.6
121.06514	100.0
121.10131	7.2
123.08069	4.8
123.11690	6.2
131.08559	5.6
133.10141	3.2
133.14891	1.2
135.08058	88.3
135.11717	15.2
137.13261	17.3
145.10141	15.7
149.09607	8.3
149.13338	1.3
151.11230	1.9
159.11697	18.7
161.13228	3.8
163.11209	10.5
173.13324	2.4
175.14688	1.5
177.12749	8.0
191.17966	11.8
192.88333	1.4
200.95107	1.2
201.16444	10.7
219.17451	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
52.06434	1.2
53.03933	2.1
55.05520	7.7
59.04980	3.1
62.92859	1.3
67.05509	20.3
69.03146	1.2
69.03429	15.3
69.07082	8.2
71.04974	3.7
79.05498	17.4
81.07064	65.7
83.04974	2.3
83.08594	3.5
85.06538	1.5
91.05480	13.1
93.07047	34.4
95.04980	1.8
95.08614	46.1
97.06536	13.4
97.10151	1.6
105.07037	37.7
107.08602	50.2
109.06526	4.8
109.10161	46.3
109.10742	0.8
111.08086	10.3
117.07011	6.8
119.07806	2.2
119.08587	29.8
121.06495	3.3
121.10155	15.9
123.08108	6.1
123.11697	5.6
125.09616	8.1
127.11208	3.2
129.07019	1.3
130.07793	2.6
131.08563	16.6
133.10143	16.0
135.08119	2.8
135.10707	2.2
135.11700	37.7
137.09669	2.4
143.08611	1.7
145.10136	67.1
147.11691	10.7
149.09631	3.5
149.13239	5.5
151.11137	1.9
157.10144	1.8
159.11702	39.5
161.09587	1.9
161.13264	23.7
163.11160	4.7
171.11697	1.4
172.08725	1.3
173.13268	15.6
175.14822	6.7
177.16383	2.5
191.17920	8.0
201.16389	80.6
203.14268	3.3
219.13937	3.9
219.17448	100.0
221.68179	1.4
229.01907	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79964	0.6
55.05513	0.7
57.03432	1.2
58.95473	0.6
67.05497	1.4
67.25405	0.7
67.61233	0.6
69.07066	0.9
69.71825	4.0
79.05475	0.7
81.07041	1.9
85.86682	0.6
91.05477	8.1
93.07021	2.3
95.08597	1.3
103.05456	1.9
105.07008	3.6
107.08602	2.0
109.10150	1.5
114.51789	0.8
115.05443	7.3
116.06255	1.9
116.38311	0.7
117.07004	2.6
119.08578	2.7
121.10113	1.4
128.06207	7.8
129.07004	29.9
130.07771	2.7
131.04938	4.3
131.08571	29.5
133.10117	2.1
135.11720	0.7
137.05988	3.1
141.06984	26.9
143.04895	1.9
143.08554	2.6
144.05722	4.6
145.06488	5.6
145.10097	2.8
146.07262	3.9
148.05199	1.3
149.05939	0.8
151.03889	4.2
155.05972	1.2
157.06482	15.6
158.07280	16.6
159.04396	2.2
159.08051	19.5
159.11632	4.7
160.05222	3.9
160.07567	2.0
161.06000	1.4
161.09595	2.4
161.13214	2.1
162.06708	0.9
163.07529	1.1
163.11153	1.0
168.05688	1.1
169.06473	12.2
169.07729	1.0
170.07242	5.3
171.08054	1.0
173.06021	3.3
173.09657	1.3
173.13289	0.9
174.06770	58.9
175.07542	8.7
185.06032	0.9
186.06767	13.8
187.07576	1.1
188.08255	2.0
189.09103	73.0
190.09477	0.8
191.10701	5.3
201.09099	31.8
201.16415	4.0
202.08664	1.0
203.14290	1.4
219.10159	100.0
219.17413	11.3
220.10493	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
52.65817	0.6
57.03425	0.7
62.85444	0.5
69.19295	5.7
69.19690	1.1
80.01587	0.7
80.91866	0.7
88.75352	0.6
91.05484	6.2
103.05468	2.1
115.05453	6.6
116.06243	2.0
117.07037	2.2
128.06242	5.0
129.07018	26.6
130.07770	2.0
131.04945	5.4
131.08582	28.0
137.05966	3.4
141.06993	25.3
143.04927	0.8
143.08595	0.7
144.05713	3.7
145.06505	4.6
146.07338	3.4
148.05219	1.1
157.05231	1.2
157.06502	16.7
158.07295	14.2
159.04404	1.8
159.08073	19.9
160.05211	3.7
161.05972	0.7
161.09645	2.6
163.07576	1.5
168.05745	0.9
169.06494	10.7
169.07697	0.7
170.07254	5.1
171.07985	0.6
173.06071	3.0
173.09631	1.0
174.06779	50.8
175.07564	8.0
177.98042	0.7
181.12614	0.6
185.06143	0.9
186.06783	14.2
187.07515	1.1
188.08313	3.5
189.09119	75.7
191.07053	1.4
191.10660	6.5
201.09123	31.4
219.10181	100.0
220.10518	0.8
228.34012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
71.17130	47.0
84.08147	46.2
98.97591	94.3
103.00614	21.1
110.88612	18.4
116.98585	34.4
130.51970	19.0
135.23212	19.9
160.09914	20.7
182.10252	20.3
189.13548	30.0
201.76945	24.0
216.88910	19.3
219.02670	100.0
219.16960	24.0
239.04378	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	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.4
55.05505	2.7
55.58929	0.7
57.02536	0.6
60.01563	0.6
61.02931	18.4
61.23948	0.6
63.97834	0.6
65.75201	0.6
67.05515	0.6
69.03425	1.0
69.07050	0.7
70.40254	2.3
71.01362	25.3
75.04488	41.9
81.07066	1.0
83.04970	1.8
83.30960	0.7
87.04474	12.6
89.02396	7.2
91.05484	1.3
93.07039	2.6
95.04971	1.0
95.08621	0.8
98.97588	2.5
103.03951	51.1
103.42010	0.7
105.07031	1.9
107.08608	1.6
116.98626	0.7
119.08582	2.0
121.10159	1.5
131.03418	14.0
131.08589	1.6
133.10150	2.0
135.08064	6.2
145.10065	1.0
147.04402	1.2
147.08032	1.0
159.02908	100.0
159.11719	2.5
161.04500	1.2
161.09660	2.6
173.13312	0.8
177.12695	1.7
187.02408	8.7
203.14328	1.8
219.05009	12.7
219.13857	3.6
219.17429	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	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03434	1.2
67.05496	1.4
69.85411	3.7
71.04979	0.9
73.72891	0.6
79.05473	1.2
81.07053	1.7
85.06515	0.7
91.05499	8.5
93.07030	2.7
95.08601	1.1
98.21473	0.7
103.05471	1.5
105.07041	3.2
105.32134	0.7
107.08572	2.0
107.50944	0.6
114.30544	0.7
115.05445	6.8
116.06208	1.8
117.07021	2.7
119.08585	2.8
121.10123	1.7
125.09695	0.7
128.06210	6.3
129.07018	29.5
130.07724	1.1
130.80580	0.6
131.04927	4.8
131.08583	30.4
132.05582	0.7
133.06432	0.7
133.10117	3.5
135.11693	0.7
137.05972	2.4
141.07008	26.5
143.04939	1.9
143.08539	1.4
144.05740	3.6
145.06512	3.9
145.10135	2.8
146.07281	5.1
147.04327	0.7
147.11691	1.0
148.05182	1.6
151.03905	1.1
151.07500	0.7
155.06047	1.0
155.65076	0.6
157.06509	18.1
158.07280	15.7
159.04417	2.7
159.08073	21.7
159.11690	3.9
160.05206	3.6
161.06046	1.4
161.09612	2.4
163.07561	1.4
163.11165	1.1
168.05713	1.2
169.06490	11.8
169.07716	0.9
170.07285	4.7
171.04462	1.0
171.08022	1.2
173.06032	3.4
173.09612	1.0
174.06786	56.8
175.07573	9.0
175.14850	0.8
185.06052	0.7
186.06776	14.1
187.07585	1.0
188.08377	3.4
189.09131	81.9
190.09569	0.7
191.07019	1.0
191.10683	7.1
201.09126	33.5
201.16336	3.7
203.14278	1.4
219.10184	100.0
219.17389	7.8
220.10564	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
50.68523	0.9
55.05508	10.3
55.53050	0.8
57.07063	1.5
67.05177	1.5
67.05506	16.1
69.07066	10.4
71.08652	2.9
76.78909	0.8
79.05496	7.8
81.06594	1.4
81.07057	25.4
83.04985	9.2
83.08608	5.5
84.84602	0.7
86.52776	0.8
89.02369	1.1
89.06036	2.0
91.05479	9.1
93.07043	15.8
95.08610	40.5
97.10185	1.0
101.06011	3.8
105.07035	31.2
107.08596	23.2
109.10159	41.7
111.04436	13.7
113.05980	1.3
117.39674	0.8
118.48018	0.8
119.08589	27.4
121.10146	23.8
121.10835	0.4
121.11034	0.9
123.11698	15.6
127.07528	1.7
129.05472	3.7
131.08560	2.7
133.10135	20.8
135.11696	14.1
137.13257	1.5
143.08534	1.3
145.10130	2.1
147.10526	1.2
147.11693	25.0
149.13232	2.4
155.07037	19.5
157.10120	1.9
159.11658	4.7
161.13257	53.1
173.08115	15.1
173.13277	1.4
175.14818	8.5
187.14867	1.6
189.16360	3.0
199.09599	2.4
199.14867	1.4
202.17227	1.0
217.04738	1.1
217.10658	21.7
217.15956	3.5
217.19516	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01876	1.8
55.05516	17.9
57.03439	0.9
59.05012	4.0
60.39183	0.5
61.02934	0.6
65.03944	1.0
67.05512	3.0
69.03436	2.7
69.07069	1.6
71.04996	6.2
71.10505	1.0
73.02930	0.7
73.06564	0.5
79.05501	19.9
81.03419	6.7
81.07065	4.5
83.04987	29.9
83.08627	1.4
85.02910	2.8
85.06551	1.9
87.04469	4.3
89.02395	1.9
89.06042	8.9
91.05491	9.6
93.03415	0.8
93.07047	4.0
95.04976	1.6
95.08616	1.5
97.02905	1.6
97.06514	0.9
98.97581	0.6
99.04476	1.6
101.06026	13.3
105.04539	0.6
105.07037	5.5
106.04239	0.7
107.04967	16.8
107.07874	0.9
107.08603	17.5
108.05691	0.7
109.06534	8.4
111.04452	50.6
111.08076	1.0
111.25486	0.4
113.06009	4.2
115.03945	0.5
115.05424	0.8
117.06999	2.5
119.06109	1.1
119.08607	2.4
121.06514	100.0
122.06805	0.4
123.08083	1.1
125.09660	1.0
127.07570	15.1
127.28091	0.5
129.05481	7.5
129.07014	1.5
131.08586	1.8
133.10124	1.3
135.08067	45.1
137.05983	1.0
142.07776	0.7
143.08578	1.1
144.09297	0.7
145.10086	0.9
147.08058	0.6
147.11707	0.8
149.09630	38.6
153.09113	11.7
155.07042	55.0
156.09300	0.6
157.10126	2.5
159.11670	2.2
161.09590	1.0
167.10658	3.8
171.11760	0.8
173.08116	40.9
173.13174	0.9
174.08459	0.5
175.11171	0.8
185.11766	1.6
189.16367	0.7
193.09091	0.5
199.09651	5.2
199.11308	1.2
199.14832	1.9
217.04944	1.3
217.10716	37.0
217.14270	2.5
217.16168	2.9
218.11224	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.5
56.18655	0.3
56.96568	17.8
57.03428	1.3
58.06600	0.7
58.96165	0.4
58.99875	1.1
60.08146	0.5
61.02929	3.7
69.03431	1.4
69.19741	3.6
70.06604	0.4
70.98129	2.9
70.99847	0.7
71.04983	0.5
71.95265	1.2
72.08157	1.1
72.13380	0.4
72.96054	1.0
73.02912	1.5
81.03422	0.6
82.01466	0.4
82.99846	4.7
84.08150	0.7
84.96021	1.0
85.02911	1.8
85.07255	0.3
86.88846	0.4
88.99186	0.4
89.00833	0.3
97.01400	0.4
97.02905	0.4
98.06075	0.4
98.97588	3.3
98.98174	0.4
98.98475	0.4
100.02479	0.6
100.05200	0.4
101.00885	45.7
102.00992	1.2
103.00582	0.4
110.01270	0.5
110.97572	1.3
112.07635	0.4
112.99110	0.4
113.00880	0.8
113.02400	0.6
115.02437	1.2
116.98633	1.3
119.01926	100.0
120.02045	1.4
121.01614	0.5
121.02409	0.4
121.03375	0.5
124.02485	0.4
124.95483	0.8
124.99097	2.3
126.02560	0.5
126.98800	0.6
127.02411	0.6
128.02498	0.5
128.07126	0.5
128.98633	1.8
129.02245	0.4
130.02011	0.4
131.01926	2.1
133.03491	2.4
134.03584	0.6
134.99663	0.4
135.03059	0.4
137.02963	18.4
141.01355	0.5
142.03499	1.4
142.96541	1.0
143.00172	4.5
143.01920	1.2
144.98059	0.6
144.99829	1.1
145.01689	0.7
145.03474	4.6
145.55901	0.4
146.03555	3.2
146.99576	0.8
147.98663	0.6
149.02914	0.5
153.02069	0.5
154.53069	0.5
155.00255	0.4
157.03484	1.1
158.99767	0.5
160.97612	0.7
161.01256	2.4
161.02914	1.0
162.99197	0.9
163.02867	0.3
163.04526	1.4
164.04678	1.1
165.00809	0.5
166.01471	0.4
168.05070	0.5
168.99854	2.9
169.01302	0.5
169.03543	0.9
169.05219	3.4
169.13362	2.8
172.97626	1.4
172.99257	0.4
173.01273	0.7
173.02954	1.0
174.99129	0.8
175.04488	2.0
176.01706	0.3
176.98804	0.4
179.02277	0.4
187.00941	3.4
187.02766	0.6
187.04543	6.3
187.06235	0.9
190.98611	3.0
191.02304	0.7
191.04021	1.4
191.99170	0.9
192.04112	1.8
193.00238	1.3
196.99319	0.8
197.02962	0.8
197.04753	1.9
197.06371	0.4
205.05595	5.3
208.99693	0.8
209.99965	0.5
215.00629	3.3
215.03993	19.6
215.05827	4.0
215.13913	12.5
223.04845	0.4
233.01366	0.9
233.05063	22.2
234.05336	0.3
238.05594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28341	0.3
55.41697	0.3
56.96570	11.6
57.03435	1.2
58.06599	0.8
58.99869	1.0
59.99922	0.6
61.02928	3.1
69.03424	1.0
69.60177	2.1
70.06573	0.9
70.64612	0.3
70.98117	2.0
70.99869	0.7
71.05020	0.4
71.95259	0.9
72.08170	0.7
72.96043	0.5
73.02918	0.9
73.06571	0.3
74.09703	0.3
77.00908	0.3
82.01454	0.3
82.99837	3.8
84.08161	0.5
84.96047	0.6
85.02912	1.1
97.82697	0.3
98.97598	2.6
100.02499	0.4
101.00888	43.1
102.00969	0.7
103.02442	0.4
109.02882	0.7
110.97546	0.7
112.07602	0.5
113.00867	0.6
113.02402	0.6
115.02440	1.2
116.98612	0.9
119.01929	100.0
120.02068	1.1
121.01591	0.6
124.02450	0.4
124.95509	0.5
124.99100	1.2
126.50271	0.3
126.98814	0.8
127.02438	0.8
128.02473	0.6
128.98628	0.9
129.98935	0.3
131.01924	1.8
133.03464	1.2
137.02965	20.0
137.79620	0.4
139.01518	0.3
142.03499	1.2
142.96521	0.7
143.00131	1.7
143.01839	0.6
144.98122	0.5
144.99820	0.7
145.01694	0.5
145.03474	5.9
146.03589	4.4
146.99695	0.7
147.01331	0.5
147.04997	0.4
147.99889	0.3
151.04214	0.4
157.03523	0.6
157.05220	0.4
160.97591	0.4
161.01251	1.8
161.02960	1.2
162.99158	0.9
163.02721	0.4
163.04520	1.9
164.04614	1.5
165.00696	0.6
168.05075	0.6
168.99831	1.4
169.03516	1.1
169.05209	3.3
169.13385	5.4
169.99971	0.3
171.05008	0.4
172.97595	1.0
173.02992	0.7
174.03181	0.3
175.04555	0.9
186.99426	0.5
187.00905	2.7
187.02873	0.6
187.04527	5.3
187.06248	1.5
189.00717	0.5
190.98616	1.8
191.02251	0.4
191.03954	1.1
191.97256	0.4
191.98898	0.4
192.04147	1.8
193.00128	0.7
196.99323	0.7
197.02962	0.9
197.04726	1.6
197.06436	0.3
205.05585	4.9
208.99799	0.5
215.00761	2.9
215.04001	19.8
215.05815	5.1
215.10632	0.7
215.13933	16.8
217.05666	0.3
222.05388	0.4
233.05060	22.4
238.05647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
56.96571	100.0
57.03441	13.1
58.99861	7.2
60.08148	1.6
60.95840	1.6
61.02932	26.7
62.03265	1.2
69.03438	6.9
70.06596	1.4
70.29163	2.2
70.29565	2.3
70.98114	3.9
70.99840	1.6
71.04990	2.7
71.95254	2.8
72.96041	2.4
73.02929	9.8
74.97603	2.4
77.00906	2.4
81.03416	3.0
82.01450	10.5
82.99839	3.3
84.96029	9.5
85.02902	10.8
86.03685	1.7
87.00814	1.3
87.01820	1.1
87.04466	1.5
88.99150	1.2
89.00802	1.2
90.01578	1.1
97.01385	1.0
97.02905	5.8
98.01250	1.0
98.97594	13.3
99.04451	2.3
100.02486	16.4
100.05271	1.1
100.99153	29.6
101.00212	1.5
101.00883	24.9
101.02586	1.0
102.02272	2.5
102.96871	3.6
109.01437	1.3
109.02892	1.6
110.01254	1.2
110.97577	17.8
111.02876	1.9
111.05542	1.9
112.00948	2.0
112.99118	1.6
113.00886	3.7
113.01675	1.7
113.02393	4.5
114.96870	1.7
115.01393	0.9
115.02424	4.9
116.98596	3.7
117.02089	1.0
117.02919	1.8
117.98991	1.1
118.01056	1.8
118.03545	5.7
119.00183	11.9
119.01926	44.0
119.03733	5.3
119.51064	1.0
119.51928	2.9
120.00786	1.4
120.01973	1.1
120.97997	1.2
121.01608	4.2
124.95467	1.5
126.97033	7.3
126.98750	2.3
127.02433	13.4
127.03909	2.3
128.02309	2.4
128.98615	21.4
129.03989	2.3
131.00191	2.0
131.01901	7.1
132.97935	1.7
133.01601	1.6
133.03484	7.6
134.99663	1.2
135.03043	2.3
136.04553	1.3
137.02930	8.0
137.04744	2.2
138.04010	1.4
139.02461	2.3
139.03964	1.3
140.03226	2.2
141.01256	1.8
142.03516	1.3
142.05336	1.1
143.01863	4.8
144.00722	1.2
144.98100	17.6
144.99831	3.8
145.02477	4.1
145.03464	86.5
146.03603	1.6
146.99651	16.6
147.01379	2.1
147.03169	2.1
147.05032	2.3
149.02977	2.3
150.01767	1.7
150.03999	4.2
152.00282	1.3
152.03185	1.6
152.11850	1.5
153.04050	1.2
154.02896	3.2
154.96492	1.2
155.01912	3.8
156.05087	5.5
157.02464	1.6
157.03595	1.6
158.99649	1.9
159.01416	2.4
160.02983	1.5
161.01488	0.9
161.02789	5.8
162.01822	1.6
162.99174	13.3
163.02664	3.1
163.04521	24.0
165.00726	13.2
166.02971	2.1
167.01875	2.0
168.01476	5.2
168.05084	54.9
168.99887	3.7
169.03456	1.8
170.06619	2.3
170.12924	1.3
172.97592	12.8
173.01477	1.4
173.02960	10.3
174.99007	1.9
175.03438	3.7
177.02499	5.8
177.03773	1.1
183.01797	4.7
185.02982	3.2
186.04399	4.8
186.06131	18.0
187.00890	3.5
187.04538	1.7
189.00749	1.4
190.98676	28.3
191.02310	2.8
191.04018	32.2
193.00169	1.5
196.00928	1.6
196.04567	27.7
200.04051	5.5
201.02477	2.4
203.04039	1.6
205.04977	1.2
208.97729	2.3
208.99715	40.8
209.05008	5.1
214.05623	84.1
215.00414	4.4
215.04048	5.0
215.05824	1.7
215.13879	4.8
219.03569	2.3
221.05038	3.5
223.01131	1.6
227.00676	2.2
229.02095	1.9
230.58855	1.1
232.01343	1.8
232.06702	12.8
233.05125	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	214.0025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
56.96568	100.0
57.03445	2.2
58.99866	1.0
60.95859	1.3
61.02917	2.3
64.35570	0.3
68.99790	0.5
69.03435	2.4
69.07043	0.5
70.06594	0.8
70.10736	1.4
70.98129	5.8
71.04998	2.1
71.95283	2.1
72.93771	0.4
72.96060	2.6
73.02923	2.6
73.06581	0.4
74.97618	2.1
77.00865	0.4
81.03439	1.0
82.01435	0.7
82.99873	0.3
83.00819	0.8
83.04963	0.4
84.96043	8.1
84.96537	0.6
85.02905	3.7
86.97603	0.7
88.99169	1.2
90.01582	1.0
91.05489	0.6
93.07057	0.5
95.04988	0.5
96.01529	0.4
97.02901	3.5
97.96840	0.8
97.99226	1.1
98.21516	0.3
98.97591	15.9
99.02074	0.6
99.04475	0.7
99.97939	0.8
100.02499	1.5
100.99152	26.1
101.00875	2.7
102.01600	0.6
102.02257	0.4
102.96883	2.7
104.01276	0.6
107.00214	0.4
107.04942	2.1
108.95996	0.5
109.02918	1.0
110.01281	0.5
110.97575	18.0
112.00981	1.0
112.95513	0.6
112.99144	2.6
113.00965	0.4
113.01756	0.5
113.03623	0.3
114.96896	1.5
115.00803	0.4
116.01300	0.5
116.98631	6.6
117.02000	1.4
118.01019	0.5
118.03473	0.4
119.00190	7.5
119.01067	0.5
119.01904	4.5
119.02577	0.4
119.03755	0.7
120.97913	0.7
121.01622	1.5
121.06498	0.7
122.02318	0.6
122.07054	0.4
123.04479	1.3
124.99159	1.4
125.01774	0.6
126.97048	6.7
126.97895	0.5
127.00706	1.8
127.01565	0.8
127.02364	2.1
127.03963	1.1
127.98895	0.5
128.02347	0.5
128.98615	21.1
129.02301	1.0
130.01012	0.5
130.01968	0.6
130.96536	0.7
131.00159	2.8
131.01891	1.1
132.00810	1.2
132.02679	0.4
132.97943	1.2
133.01544	0.6
134.02242	0.5
134.99641	1.9
135.04428	0.3
136.06253	0.6
136.93176	0.4
137.04861	0.4
137.05998	0.6
138.04068	0.4
139.01588	0.6
139.03958	3.2
139.51747	0.4
140.00327	0.5
140.98584	0.8
142.01967	0.8
143.00183	2.7
143.01927	0.6
144.98091	14.3
145.01721	5.8
145.03459	8.8
145.04733	0.5
146.02309	0.4
146.99664	15.8
147.03214	1.6
148.01991	1.6
148.03850	0.8
148.97624	0.5
149.01199	2.3
149.04697	0.4
149.06021	1.5
150.99039	0.4
151.03967	1.0
153.01445	0.3
153.51503	0.8
154.02003	1.2
154.94325	0.4
154.96507	1.8
155.00296	0.6
155.02879	0.7
155.04666	0.7
155.54846	0.7
155.98454	0.4
156.05086	0.7
157.02560	0.7
158.99696	2.2
159.03291	0.4
161.01291	2.1
161.02936	0.7
162.01871	1.7
162.52005	1.0
162.99147	10.4
163.00520	0.7
163.02788	5.3
163.04578	1.8
165.00729	12.3
165.04401	0.5
167.99661	0.4
168.03592	0.6
168.05063	4.2
170.01335	0.6
170.05211	0.5
170.99719	0.7
171.02379	0.5
172.02821	0.6
172.94315	0.5
172.95474	0.6
172.97594	11.7
173.01303	2.2
173.03026	1.1
174.99106	1.3
176.05412	0.4
176.99149	0.4
177.00787	1.5
181.00168	1.7
181.03835	0.5
182.02324	0.7
183.01804	3.9
186.04443	1.9
186.06212	1.2
186.99200	0.6
187.02916	0.4
187.04500	1.1
188.02467	0.4
189.00725	1.2
190.03975	0.6
190.98647	30.8
191.02464	2.9
191.04013	3.1
191.97292	0.4
193.00342	0.7
193.01839	0.7
193.04590	2.0
193.54347	0.8
194.99739	0.7
196.04637	1.6
197.01184	0.4
200.03456	0.7
202.03209	0.8
202.04996	1.0
202.54846	0.6
205.00226	1.2
205.05487	0.4
207.01854	0.9
208.99706	30.9
209.05205	0.8
211.02922	0.7
213.00797	1.2
214.00333	0.5
214.03903	1.6
214.05721	6.9
214.07497	0.6
215.04018	0.5
219.01772	0.7
223.01242	0.8
227.00761	2.5
232.01370	0.9
232.04926	1.2
232.06882	1.1
233.05069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1851
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03935	1.4
55.01871	2.7
55.05517	15.5
56.96524	1.4
57.03442	1.3
57.07072	2.7
67.05501	4.2
69.03423	3.7
69.07075	17.4
69.48595	1.8
69.49002	5.7
71.04987	4.7
71.08633	1.8
79.05485	5.1
81.07065	18.0
83.05005	1.4
83.08633	11.8
85.06531	4.6
91.05478	4.5
93.07056	15.8
95.08614	30.9
97.10190	12.3
98.97591	1.5
99.08105	26.2
105.07045	5.0
107.04955	4.3
107.08607	35.3
109.10157	7.2
111.08095	10.4
113.09638	4.0
115.76427	1.2
119.04991	1.3
119.08541	1.7
121.10155	59.2
123.08075	1.2
123.11736	1.4
125.09645	10.3
135.04416	1.1
135.08058	2.1
135.11716	12.7
137.13255	7.4
139.11208	2.2
149.13246	4.2
163.07578	1.9
166.90453	1.2
167.07101	6.7
167.08258	1.3
171.11653	1.5
177.16402	100.0
195.10199	2.4
195.17441	12.5
201.39314	1.5
213.09259	1.1
213.12865	2.1
213.18498	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.29052	0.8
55.01859	2.5
55.05510	10.0
56.39714	0.7
57.07058	2.9
67.05505	6.4
69.03432	2.0
69.07069	16.8
69.58421	2.1
69.58837	3.4
70.06567	0.9
71.04990	5.5
79.05496	6.7
81.07058	18.8
83.04920	0.9
83.08624	9.0
85.06551	5.0
91.05463	3.5
93.07044	14.8
95.08607	41.2
97.06501	1.3
97.10162	8.3
98.97585	1.8
99.08092	21.4
105.07015	3.9
107.08591	36.7
109.06500	1.9
109.10163	9.3
111.08086	15.2
113.09634	2.8
119.08572	1.0
121.10143	62.7
123.08061	1.5
123.11724	2.6
125.05986	9.9
125.09627	7.0
127.03942	1.6
135.11697	14.7
137.13245	8.6
139.11169	1.5
142.58771	0.8
149.13252	6.2
153.05516	0.8
167.14279	1.8
177.16386	100.0
184.05188	2.2
185.07173	1.5
185.09584	1.5
195.11987	0.7
195.13791	5.7
195.17441	14.9
213.06592	1.1
213.09119	3.4
213.12602	0.9
213.14861	1.0
213.18500	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	213.1487
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03920	1.3
55.01880	9.0
55.05515	42.6
57.03428	1.9
57.07076	1.7
57.56404	1.0
59.04999	1.4
62.94338	0.9
67.05183	1.7
67.05511	23.0
69.03427	5.0
69.07070	12.9
71.05000	47.0
72.22460	1.2
73.82845	1.2
79.05505	14.8
80.92753	1.1
81.03426	1.9
81.06594	1.8
81.07064	24.4
83.04970	3.9
83.08623	31.8
85.02863	1.0
85.06559	7.0
87.04475	5.8
91.05470	5.2
92.58705	1.0
93.07057	15.9
95.04953	2.1
95.08605	10.7
97.06541	68.6
97.10175	49.0
99.04465	1.1
99.08093	2.5
101.09663	1.6
105.07008	2.3
107.08597	17.0
107.24157	1.0
109.06518	2.3
109.10165	11.9
111.08086	4.0
113.06004	1.2
117.07009	2.9
119.08563	2.1
121.06488	1.2
121.10151	5.0
123.11688	1.3
125.08772	1.9
125.09638	27.7
127.03886	2.5
129.34830	1.0
129.35783	1.2
131.08594	2.8
133.10118	3.5
135.08090	5.5
135.11688	4.8
142.07832	1.5
143.08533	1.3
143.32518	1.1
147.11734	1.3
149.09621	1.7
149.13292	5.4
153.09126	2.6
157.10204	1.7
159.11694	4.3
167.07008	1.2
167.14296	1.6
170.10831	1.4
171.10231	1.8
177.12767	6.4
177.16365	3.5
189.11250	6.1
195.11963	2.1
195.13824	37.3
213.09302	2.7
213.14854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03941	4.2
53.23350	1.6
55.01861	4.3
55.05513	17.6
57.03441	15.4
57.07069	3.6
67.05508	83.0
69.07069	35.0
71.04980	8.0
73.02915	1.8
79.05071	2.8
79.05496	40.0
81.03404	2.8
81.07059	100.0
83.04977	11.7
83.08627	20.3
85.06539	7.3
88.07645	8.7
91.05478	21.0
93.07047	73.5
95.04954	6.4
95.08066	2.4
95.08613	25.2
97.06525	18.3
97.10123	2.5
99.04417	3.3
99.08094	4.0
105.07012	7.9
107.08604	37.3
109.06522	2.7
109.10129	6.5
111.08080	11.5
117.07014	8.2
119.08588	3.3
121.06541	3.4
121.10148	22.7
123.11678	2.4
125.09623	3.1
128.06219	2.1
129.07028	3.4
131.08577	13.4
131.09387	2.0
133.10124	7.9
135.08014	2.7
135.11705	17.0
139.11203	2.4
142.07755	2.6
143.08543	3.7
149.13261	60.0
157.10121	8.6
159.11684	30.6
167.14310	3.0
171.11731	4.4
177.12743	12.5
190.16325	2.0
195.06593	5.5
195.12093	2.4
195.13814	12.6
205.29854	1.8
213.05457	7.8
213.09250	2.5
213.12810	2.6
213.16434	12.8
225.44051	2.1
229.13037	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03947	1.2
53.67363	0.3
55.01862	0.5
55.05515	16.2
57.03432	1.2
57.07079	10.4
57.19893	0.4
59.05012	0.6
67.05511	4.9
69.03424	1.1
69.07069	4.8
69.92085	0.9
69.92478	0.8
71.01356	0.4
71.04987	0.7
71.08616	0.4
77.03916	0.4
79.05498	4.2
81.07065	6.1
83.04989	8.5
83.08629	1.1
85.06551	5.1
86.29532	0.4
88.07624	1.7
91.05490	4.3
93.07055	13.4
95.04982	1.7
95.08614	12.0
97.06538	6.6
105.07030	4.2
107.04968	1.1
107.08601	18.2
109.06524	5.0
109.10165	3.1
111.04449	100.0
111.08081	3.4
113.06023	2.2
117.07046	2.1
119.08579	3.0
121.06528	2.6
121.10149	3.0
122.07276	1.1
123.08067	1.6
125.05999	31.0
125.09635	0.4
127.07570	4.2
129.07031	0.6
130.07784	1.5
131.08588	0.5
133.10097	0.5
135.08067	14.9
135.11699	23.3
137.13310	1.8
139.07553	4.5
142.07780	1.0
143.08572	2.0
145.10135	18.7
146.71718	0.4
151.88660	0.4
153.12746	5.4
155.08556	0.4
156.09317	0.6
157.10152	2.6
159.62320	0.4
163.11188	25.0
169.10139	0.5
170.10841	0.8
171.08142	0.4
171.11674	1.7
179.36372	0.4
181.12245	60.5
182.12392	0.4
185.09644	0.5
185.13268	1.1
195.06374	0.5
195.10126	0.7
195.11987	0.6
195.13815	5.4
213.12700	3.3
213.14777	2.6
213.16557	5.4
225.88895	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1124
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03952	0.8
53.68768	0.3
55.01877	1.1
55.05510	1.3
56.96566	0.7
57.03434	1.0
57.07080	0.5
59.05010	0.4
61.92874	0.3
63.00053	0.9
65.03941	0.5
67.05516	1.5
69.03456	1.7
69.07072	1.6
70.06607	0.8
70.83675	0.5
70.84007	0.6
71.04998	1.5
72.08150	0.5
77.03948	0.4
78.04733	1.7
79.05065	0.7
79.05502	8.8
81.03439	1.1
81.07065	3.1
83.04988	0.8
83.08620	0.7
85.02926	1.4
85.06550	1.3
86.09753	0.6
88.07640	1.3
91.05492	4.6
93.07059	3.0
95.04980	2.1
95.08612	1.7
97.02910	1.0
97.06534	1.4
97.10205	0.5
98.97623	2.0
99.04462	1.5
99.08154	0.5
103.05479	6.8
105.04540	0.4
105.07034	6.3
106.04177	1.7
107.04967	48.9
107.08624	2.7
109.02897	0.9
109.06535	1.2
109.10171	0.9
110.97690	0.3
111.04459	0.5
111.08093	0.9
115.05464	2.5
116.98668	0.9
117.07051	1.7
119.04954	1.6
119.08584	0.5
120.05740	1.4
121.02908	0.4
121.06517	0.9
121.10150	3.0
122.03701	0.5
123.04452	4.8
123.08070	1.2
123.11769	0.4
124.05229	2.4
125.06046	1.2
125.09649	1.3
127.03926	1.5
129.07011	0.5
130.96323	0.4
131.04933	2.2
131.08580	1.0
133.06502	1.1
133.10144	1.3
134.03592	0.5
135.04449	0.6
135.08069	13.7
135.11700	1.3
137.05988	1.5
137.09656	0.4
138.03229	0.4
139.03893	0.6
139.07529	0.4
141.07053	0.4
143.08588	0.5
145.07607	1.3
147.04424	1.1
148.97330	0.6
149.05997	0.8
149.09613	1.8
149.13269	0.6
151.03934	1.6
152.04713	1.9
153.01849	2.7
153.05444	0.5
153.09068	0.7
154.06252	2.3
157.10135	0.7
158.99660	1.1
159.11707	0.6
163.07562	26.7
165.05524	0.7
165.09200	0.4
167.07059	100.0
168.07448	0.5
169.08598	0.4
171.11656	0.4
177.09131	2.2
177.12798	0.5
177.16470	0.4
180.07797	3.2
180.87912	0.3
181.05008	0.6
181.08339	0.4
183.06721	0.5
184.05774	0.7
185.07207	0.4
185.09610	0.6
192.05464	0.5
195.06650	1.7
195.08492	0.7
195.10190	19.6
195.13867	1.4
201.05989	0.6
201.56148	0.6
213.05420	0.9
213.09277	0.7
213.11122	5.3
213.16316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1124
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03963	1.4
55.01895	1.8
55.05545	2.4
57.03464	2.3
67.05503	5.7
68.99848	0.8
69.03443	3.5
69.07070	6.2
70.06622	2.3
71.05029	2.1
71.49471	1.2
73.02920	0.8
79.05499	12.1
81.03440	2.2
81.07059	10.5
81.07456	0.9
83.05000	1.8
83.08649	2.9
85.02933	3.6
85.06579	2.1
86.09750	1.6
88.07638	1.4
91.05489	11.2
93.07051	20.1
95.04959	3.5
95.08614	13.8
97.02893	1.5
97.06567	2.2
97.10194	0.7
98.97612	2.4
99.04483	1.5
100.07619	0.9
103.05474	1.8
105.07036	21.3
105.07687	1.3
107.04951	4.5
107.08605	45.2
109.02898	0.8
109.06513	10.2
109.10184	3.0
111.04460	1.7
111.08041	1.7
113.06039	0.7
116.06261	1.2
116.98650	0.8
117.07018	0.9
119.04940	1.1
119.08606	5.0
121.06517	3.5
121.10154	93.8
121.37923	0.7
123.04431	1.0
123.08081	40.8
123.11740	2.0
125.06018	1.5
125.09638	7.6
127.03954	2.1
127.07560	1.7
128.07121	1.0
129.07097	1.1
131.08601	8.4
133.06630	1.6
133.07663	2.4
133.10159	3.4
135.08063	7.3
135.11722	2.5
137.05983	1.0
137.09628	0.8
137.13228	1.2
139.11174	2.1
143.08511	1.2
149.09633	70.2
149.13261	1.9
150.10034	0.9
151.03972	1.1
151.07553	2.2
151.11201	2.8
153.05515	1.3
153.09155	2.2
157.10211	1.6
158.99664	1.4
159.08060	1.4
159.11711	2.1
163.07570	1.1
167.07101	4.4
167.08380	0.9
167.10693	18.8
168.13852	4.0
169.07149	0.8
169.08624	29.6
177.09123	100.0
177.16351	3.5
181.04921	2.1
183.17345	0.8
195.06534	2.5
195.10184	34.2
195.13838	1.8
196.13290	4.3
201.07767	0.9
213.05498	2.1
213.11212	86.3
213.16542	1.3
213.18245	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.00297	0.5
53.03952	0.8
55.01867	1.0
55.05505	0.6
56.96581	0.5
67.05501	1.4
68.50716	0.4
69.03434	0.9
69.07065	1.1
69.39928	0.3
70.06538	0.5
70.65862	1.2
71.04980	1.1
77.03947	0.8
78.04720	1.6
79.05067	0.8
79.05495	9.7
81.07049	1.4
83.04977	0.5
83.08638	0.4
85.02888	0.4
85.06538	1.0
88.07691	0.5
91.05479	5.5
93.07043	2.3
95.04952	2.7
95.08613	1.1
97.02891	0.4
97.06542	0.7
98.97592	2.8
99.04470	0.9
103.05475	7.7
105.04519	0.8
105.07031	5.6
106.04189	1.5
107.04958	52.8
107.08604	2.1
109.02896	0.5
109.06549	1.0
109.10149	0.9
110.97548	0.4
111.04453	0.6
111.08081	0.6
115.05444	3.8
116.98663	1.0
117.07024	1.5
119.04961	1.2
119.08521	0.4
120.05711	2.1
120.75796	0.4
121.06514	0.9
121.10117	0.7
123.04428	5.4
124.05199	2.8
125.05995	1.4
127.03934	1.3
131.04910	2.3
133.06525	0.5
134.03596	0.4
135.04448	0.5
135.08054	14.6
135.11688	1.0
137.05997	1.2
137.09627	1.5
139.03906	1.1
143.08569	0.7
145.07613	1.2
147.04437	0.9
149.05956	1.2
151.03889	1.0
152.04718	2.4
153.01848	0.6
153.05478	0.6
153.71585	0.4
154.06253	2.5
157.10092	0.4
158.99644	0.6
163.07547	29.2
165.05548	0.4
167.07042	100.0
177.00676	0.5
177.09187	0.5
180.07828	2.8
195.06488	0.7
195.10175	18.7
195.13837	1.6
213.09262	0.7
213.11208	3.7
213.12802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0758
Annotation	Methyl syringate
Peak:m/z	Relative Intensity
52.13557	0.3
55.01863	1.6
55.05526	0.4
65.03924	0.4
67.05512	2.4
68.99789	5.0
69.03087	0.5
69.03432	7.1
69.07037	0.5
70.06592	0.4
71.38822	0.5
79.05482	1.0
81.03414	0.6
81.07071	0.6
83.04964	1.4
85.02886	0.8
87.04474	1.1
91.05480	1.0
93.03408	1.2
93.07071	0.5
95.04975	3.8
97.02896	15.8
97.06529	1.1
98.97588	0.5
99.01596	0.4
107.04962	4.6
111.00752	0.8
111.04453	9.5
119.04981	0.4
121.02853	0.6
123.04430	13.3
125.05995	5.2
129.05421	0.6
133.02870	0.6
135.04413	5.1
137.05949	0.5
139.02805	0.7
139.03909	20.8
151.03909	24.0
153.01816	1.3
153.05473	19.3
163.03926	6.6
167.07037	0.6
181.04959	100.0
182.05299	0.6
185.67056	0.4
195.06551	2.6
208.88907	0.4
213.05580	0.8
213.07578	8.3
213.09520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0759
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03944	1.5
55.05495	0.7
57.84168	0.7
61.02930	10.6
63.32633	0.9
65.03944	5.7
66.36049	0.7
67.05511	2.2
67.48392	0.7
69.67624	4.0
71.01340	1.0
77.03915	0.7
79.05491	15.6
84.47163	0.7
84.48723	0.8
86.67294	0.7
89.03928	1.1
91.05496	4.4
93.03410	11.6
93.07027	1.2
93.98241	0.7
95.04958	2.4
97.06540	0.7
98.21490	1.4
105.03389	1.5
107.04964	25.4
108.02090	1.8
109.02886	1.0
109.06524	1.2
110.03668	22.2
111.04437	7.3
117.03348	1.8
119.04906	1.9
121.06507	8.6
122.03643	3.5
125.05999	70.8
133.02855	12.8
135.04425	26.7
137.06001	4.2
137.06944	0.7
141.05518	1.3
149.05991	21.3
150.03146	9.1
151.03923	100.0
151.05031	10.4
153.05481	16.3
162.03152	1.8
163.03914	9.0
165.05495	39.8
167.07042	20.2
177.05470	21.3
177.06898	1.6
195.06522	16.7
213.05545	1.4
213.07578	13.0
213.16035	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.01876	1.9
55.05514	14.1
56.96561	5.8
57.03444	9.0
57.07087	3.5
59.05011	11.3
59.93014	1.6
65.03937	2.6
67.05510	36.4
69.03425	3.0
69.07079	15.0
69.62976	9.2
71.04992	5.0
71.08636	2.0
79.05497	21.8
81.03407	6.5
81.07065	79.8
83.04986	6.3
83.08618	8.8
85.06552	11.7
90.30968	1.8
91.05481	15.9
93.07057	29.5
95.04991	8.8
95.08616	51.6
97.06530	6.0
98.84970	1.7
99.04453	3.3
99.08108	2.6
105.07038	31.3
107.08607	28.5
109.06528	39.1
109.10169	35.8
111.08079	5.1
117.07065	1.6
119.08593	57.8
121.10178	11.9
123.04430	5.1
123.08064	15.7
123.11707	7.0
125.09651	4.7
126.58120	1.6
127.07555	4.5
131.08565	2.7
133.10149	36.9
135.11705	53.5
137.05974	5.5
137.09618	23.1
145.10149	1.9
147.11707	18.0
149.12167	2.5
149.13274	17.8
151.07549	2.3
151.11192	4.7
151.14845	2.5
154.06290	1.8
155.16544	1.8
163.14830	3.1
165.09091	2.7
165.12720	2.6
165.16356	3.8
167.07092	3.9
167.10686	2.2
169.10176	2.3
175.07628	2.0
175.11313	4.4
175.14838	86.1
175.57756	1.9
193.08661	9.5
193.12289	7.5
193.15895	100.0
211.07870	2.6
211.09683	7.1
211.11516	2.1
211.13206	3.3
211.14877	10.9
211.16977	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	211.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.8
55.01874	6.1
55.05514	44.6
56.96564	1.2
57.03439	11.8
57.07079	6.7
59.05003	2.0
65.03948	2.2
67.05507	39.3
68.63105	0.4
68.99797	1.5
69.03433	25.2
69.07070	13.7
70.65036	1.3
71.01355	0.5
71.04995	9.6
73.02940	0.6
73.06550	0.6
77.03932	0.6
79.05495	34.3
81.03421	100.0
81.07059	44.9
83.04985	64.3
83.08622	43.5
85.02915	3.1
85.06548	16.3
87.04465	1.0
91.05482	33.3
93.07050	21.8
95.04975	34.8
95.08611	19.5
97.02903	4.9
97.06532	6.6
97.10174	8.4
97.99188	0.6
99.04469	1.6
99.08093	4.9
101.06059	0.5
101.09659	1.0
103.05492	0.6
105.03397	0.6
105.04545	0.6
105.07036	27.0
107.04962	6.2
107.08599	17.5
109.02905	0.6
109.06517	13.7
109.10162	19.5
111.00822	0.8
111.04441	3.1
111.08086	15.8
113.06018	1.4
115.05460	1.7
116.06236	0.6
117.07014	1.9
119.04942	1.1
119.08588	25.5
121.06524	2.3
121.09439	0.4
121.10148	13.1
123.04438	14.2
123.08064	8.1
123.11704	5.3
125.09634	12.9
127.03941	3.2
127.07562	12.2
127.11208	4.2
128.06233	0.8
129.06055	0.5
129.07016	11.6
131.08578	12.3
133.06505	3.5
133.10138	18.3
135.08073	0.7
135.11694	8.4
137.05963	3.4
137.09615	4.8
137.13313	0.6
139.02812	0.7
139.03906	14.1
139.11166	1.5
142.07813	2.7
145.10167	2.3
147.08072	5.5
147.11690	18.8
149.05939	0.6
149.09634	9.3
149.13321	1.7
151.03918	3.3
151.07547	1.8
151.11174	3.2
151.14813	2.3
153.01836	1.0
153.05472	1.1
153.12758	0.8
155.03407	12.8
155.08688	0.8
157.10135	15.9
161.02884	0.5
163.14890	0.7
164.04611	0.5
165.05476	3.8
165.09145	3.0
165.12796	4.8
165.16423	0.9
167.07051	3.7
167.10660	2.6
167.14316	3.9
169.08582	0.8
169.10143	1.0
169.12228	0.9
175.07573	1.6
175.11194	20.7
175.14815	8.1
184.17773	0.4
193.08626	16.0
193.12250	53.5
193.15863	15.4
197.46803	0.5
211.07837	1.3
211.09671	39.8
211.13243	28.5
211.16814	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	211.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.05522	23.2
55.49566	1.2
57.03434	4.1
57.07066	4.0
59.04983	1.5
67.05512	54.1
69.03421	5.4
69.07075	12.9
70.08205	1.4
70.08539	5.6
71.04987	5.2
79.05505	10.0
81.03409	2.7
81.07067	39.0
83.04996	14.7
83.08648	8.4
85.06547	11.7
91.05490	11.1
93.07055	27.0
94.04192	1.5
95.04971	5.6
95.08618	100.0
97.06525	5.5
97.10159	2.6
98.21048	2.5
99.08088	5.6
101.06023	3.0
105.07042	18.7
107.08607	29.1
109.06554	6.5
109.10169	97.9
111.08094	22.5
113.09676	1.5
115.07587	21.5
119.08592	39.5
121.10165	12.9
123.08089	17.0
123.11728	11.3
125.09646	4.8
133.10144	32.4
135.11717	45.1
136.81160	1.4
137.09634	94.3
137.13228	2.0
138.10394	2.1
139.11214	3.2
147.11696	9.4
149.13281	7.8
150.10370	2.2
151.11215	6.9
151.14809	4.0
163.14844	20.0
165.12839	7.0
165.16370	3.7
167.07028	1.7
175.13327	2.4
175.14845	46.4
179.07080	1.9
181.15840	2.9
191.35417	1.3
193.12253	3.2
193.15900	96.5
211.15118	2.7
211.16977	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.90609	0.5
53.03969	0.6
55.05514	11.5
57.03429	0.7
57.07079	3.0
59.04993	3.3
65.03969	0.7
67.05507	18.3
69.07069	12.6
70.07574	0.6
70.47646	1.6
70.48000	0.9
71.04993	4.7
77.11267	0.6
79.05488	5.4
81.03411	0.6
81.07053	20.6
83.04981	1.6
83.08619	8.9
85.06522	2.9
91.05485	3.8
93.07046	11.9
95.04977	0.9
95.08609	100.0
97.06551	3.1
97.10183	2.2
99.04459	1.6
99.08089	1.5
101.06022	2.0
105.07037	6.1
107.08602	14.6
109.06507	1.4
109.10157	27.6
111.08117	1.4
113.09675	1.4
115.07564	7.7
119.08579	10.0
121.10138	9.3
123.08056	2.1
123.11701	10.1
125.09624	2.6
133.10135	11.5
135.11697	20.3
137.09613	8.0
137.13300	1.8
139.11203	4.8
141.12717	1.0
147.11681	2.3
149.13258	5.3
151.11179	1.9
151.14798	1.1
153.12715	0.9
160.44073	0.6
163.14827	17.2
165.16396	2.9
165.53137	0.6
167.07076	0.6
167.14233	0.6
175.14830	19.6
181.15913	4.8
193.15875	21.0
208.08783	0.6
211.16930	54.1
212.17238	0.9
215.20889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.08117	2.0
50.98905	1.6
53.03935	1.9
54.75013	1.9
55.01879	3.5
55.05309	1.8
55.05517	20.9
57.03429	4.0
57.07076	10.1
59.04993	7.0
65.03941	1.8
67.05509	41.6
69.03432	9.8
69.07073	33.9
71.04992	17.7
71.06902	3.7
71.08634	3.5
76.29549	1.6
77.03791	1.7
79.05493	10.7
81.03413	2.3
81.07060	58.7
83.04990	20.1
83.08621	17.9
85.02907	4.9
85.06557	14.0
91.05473	12.0
93.07049	39.4
95.04974	7.7
95.08611	100.0
97.06529	7.9
97.10202	8.5
99.04456	2.1
99.08076	3.8
105.07031	22.1
107.08605	47.8
109.06529	19.9
109.10162	96.6
111.08099	9.6
111.11747	3.8
113.06031	4.0
113.09632	2.3
115.08920	1.7
119.08590	64.9
121.10155	19.4
123.04426	3.9
123.08076	20.5
123.11718	34.8
125.09634	6.6
127.11197	2.0
131.08574	1.8
133.10141	34.3
135.11702	84.0
137.09610	27.8
139.11142	2.3
141.36835	1.6
147.11700	6.7
149.13269	11.9
151.07637	2.2
151.10028	2.4
151.11176	10.6
151.14818	12.9
153.12775	7.9
155.10713	5.9
165.16396	6.7
175.14835	50.1
175.16286	2.9
179.07062	9.5
193.15883	31.4
211.16934	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.09536	1.7
53.03935	2.5
55.01860	7.4
55.05518	21.5
56.05838	2.1
56.96574	1.6
57.03436	10.1
57.07058	6.6
59.04982	2.3
67.05505	31.7
68.60674	1.5
69.03426	6.8
69.07067	29.9
71.05003	19.7
79.05489	17.0
81.03376	3.2
81.07056	39.8
83.04991	16.8
83.08617	7.7
85.06549	36.0
91.05477	18.9
93.07050	50.4
95.04972	40.5
95.08612	54.8
97.06515	6.8
97.10191	1.8
97.99212	2.3
98.21531	3.7
99.04448	2.8
99.07500	2.5
99.08093	27.1
101.06011	2.1
105.07024	26.5
107.08597	57.2
109.06522	15.5
109.10157	80.3
111.08085	8.4
113.06013	5.2
113.09641	4.2
115.05441	2.0
119.08591	31.6
121.06466	2.0
121.10136	19.8
123.04450	10.1
123.08041	7.5
123.11701	18.9
125.09654	9.6
127.07524	2.7
127.11185	5.9
129.07138	1.6
131.08531	4.4
133.06537	2.7
133.10138	60.1
135.11699	100.0
137.06007	7.7
137.09615	22.0
139.11192	5.2
147.11699	17.0
149.09622	3.5
149.13283	27.6
151.07549	6.8
151.11183	35.0
151.14828	6.5
153.12759	48.7
155.07060	8.6
155.08414	1.7
155.10677	9.4
157.10088	2.7
163.14822	26.1
165.06979	1.6
165.12753	4.3
167.07088	7.9
167.10712	4.3
167.14288	13.1
175.11192	5.9
175.14830	37.7
179.07031	19.8
181.15910	4.4
183.15823	2.8
193.08646	5.9
193.12221	14.3
193.15910	22.7
211.07642	2.8
211.09592	4.2
211.13272	7.4
211.15208	2.9
211.16939	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03940	2.1
55.01863	2.2
55.05514	18.3
57.03436	4.4
57.07073	4.6
59.04988	2.5
67.05508	49.2
69.03425	4.0
69.07075	15.0
70.97568	2.5
71.04980	5.4
79.05501	13.3
80.49257	1.7
81.03400	3.5
81.07058	39.0
83.04985	11.1
83.08632	8.6
85.06537	10.8
86.87057	1.4
91.05487	11.1
91.94216	1.7
93.07044	25.4
95.04965	4.9
95.08607	96.0
97.06548	6.8
97.10183	2.4
99.08121	4.7
101.06025	2.5
105.07032	20.1
107.08598	29.6
109.06529	5.9
109.10159	99.3
111.08091	17.4
113.09665	1.4
115.07580	21.1
119.08578	34.7
119.09372	2.8
121.10149	12.9
121.75448	1.5
123.08061	15.6
123.11703	11.8
125.09612	5.5
133.10144	34.8
135.11696	40.8
137.09621	90.0
137.13214	1.8
138.10420	3.0
141.09097	1.8
147.11676	9.8
149.01761	1.6
149.13234	9.0
150.10371	1.8
151.11197	6.5
151.14844	4.1
155.00772	1.4
163.14824	20.8
165.12730	5.2
165.16362	4.7
175.14828	43.5
179.18468	1.4
181.15984	1.7
184.14458	1.6
193.15889	100.0
211.13660	1.8
211.16936	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	211.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
54.45929	0.2
55.05517	2.4
56.96580	1.6
57.07064	0.4
58.36464	0.3
62.53807	0.2
67.05517	2.0
69.07076	2.1
70.64506	0.7
79.05511	2.0
79.85854	0.2
80.98978	0.2
81.03416	0.7
81.07064	4.1
82.46240	0.2
83.04939	0.3
83.08603	0.4
84.96033	0.4
85.06514	0.3
90.44471	0.3
91.05495	3.2
93.07048	1.7
95.04958	0.3
95.08620	1.4
97.06497	0.4
97.99184	0.7
99.04482	0.3
105.07034	4.7
107.08584	0.9
109.06476	0.3
109.10165	0.5
115.05463	0.9
117.07030	2.1
119.08588	3.7
128.06241	2.7
129.06049	0.4
129.07010	5.2
131.08569	4.6
133.10129	0.7
137.06007	0.5
141.07004	8.3
142.07800	1.6
143.08575	7.7
143.09712	0.4
144.09273	0.6
145.10138	1.0
153.06978	2.9
154.07793	7.4
155.08566	27.6
156.09381	2.6
157.10135	3.8
165.07059	0.8
166.07758	0.6
167.08588	8.3
168.09372	4.2
169.10139	51.2
170.10918	2.2
179.08647	0.3
181.10138	11.5
182.10922	9.8
183.11710	15.3
184.12025	0.3
193.08510	0.4
193.12228	0.6
195.11745	0.8
196.12492	12.2
209.13251	0.6
211.14836	100.0
212.15208	1.3
231.45511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03952	1.9
55.01878	3.0
55.05516	15.6
55.68651	1.3
56.96561	5.1
57.03431	6.0
57.07063	6.0
59.05008	13.2
59.31127	1.4
64.72140	1.4
65.03961	1.4
67.05511	19.4
69.03418	5.2
69.06736	1.9
69.07079	30.6
69.75774	8.3
71.05006	49.8
79.05501	15.7
81.03440	9.3
81.07075	45.2
83.05018	7.3
83.08638	19.5
85.06565	13.2
91.05505	11.7
93.06485	2.7
93.07059	40.6
95.03747	1.2
95.04967	5.6
95.08624	59.4
97.06558	20.1
97.10168	4.5
97.99185	2.3
99.04436	6.8
99.08102	11.2
105.07049	14.9
107.08617	38.9
109.06554	7.3
109.10174	26.0
111.04481	1.4
111.08117	9.7
111.71284	1.5
113.09624	4.1
115.07601	10.6
119.08596	31.3
121.10166	26.7
123.04459	2.9
123.08080	13.0
123.11732	87.6
125.09647	7.0
127.07569	5.3
129.07010	2.6
131.08545	2.7
133.10162	31.6
135.11720	79.1
137.06027	2.3
137.09634	12.1
137.13257	7.0
141.09109	5.3
141.12758	5.1
147.11722	8.9
149.13298	14.1
151.03923	3.9
151.07593	2.1
151.11198	4.2
151.14819	3.1
153.12775	15.7
155.10695	9.6
157.10144	2.1
163.14862	2.2
165.12799	3.3
167.14360	5.5
175.11221	5.0
175.14862	49.9
179.27490	1.3
193.08617	6.0
193.12294	6.9
193.15921	20.5
211.07759	2.5
211.09653	4.9
211.15102	4.0
211.16965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1331
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.27761	1.4
53.03944	4.4
55.01858	5.3
55.05513	38.8
56.19109	1.3
56.19406	1.0
57.03445	11.4
57.07065	1.4
59.04996	2.3
67.05181	2.0
67.05508	29.9
68.08324	1.3
69.03425	10.2
69.07069	12.9
70.98626	2.9
71.05003	5.9
79.05494	31.7
81.03423	100.0
81.07061	37.1
82.51070	1.3
83.04983	48.5
83.08624	32.0
85.02900	1.6
85.06544	9.8
91.05481	35.5
93.07049	16.6
95.04974	30.3
95.08613	15.3
97.02904	4.3
97.06529	5.2
97.10167	7.8
99.08068	2.2
105.07030	22.8
107.04973	7.5
107.08595	10.2
109.06528	9.8
109.10164	5.1
111.04435	2.6
111.08083	16.5
113.06050	2.0
117.07008	1.7
119.08580	20.1
121.06493	1.9
121.10149	10.7
123.04417	3.9
123.08070	5.6
123.11695	3.3
125.05936	1.5
125.09638	3.6
127.07583	2.9
129.06996	11.1
131.08574	12.6
133.06511	2.8
133.10138	12.6
137.05969	1.9
137.09616	3.4
139.03828	1.5
142.07785	3.1
147.08047	3.9
147.11685	16.6
149.09619	8.3
155.03418	1.7
157.10139	15.8
165.09123	1.5
165.12743	4.7
167.07109	1.5
167.10649	2.5
175.11169	21.2
193.06660	2.4
193.08582	7.4
193.10417	2.6
193.12251	54.5
193.15921	2.4
211.07730	1.7
211.09680	4.2
211.13266	23.9
211.15053	2.3
211.16792	1.9
227.57550	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03922	3.8
55.01868	5.9
55.05273	3.0
55.05516	38.3
56.96563	5.7
57.03423	8.4
57.07076	4.6
67.05506	31.3
69.03413	10.0
69.07069	13.1
69.33518	22.1
70.21575	2.7
71.04974	7.9
75.95190	3.2
79.05489	36.1
81.03419	100.0
81.07056	44.4
82.45223	2.6
83.04979	48.1
83.08620	35.4
85.02894	4.3
85.04820	2.8
85.06541	5.6
89.42406	2.7
91.05479	38.5
93.07039	14.7
95.04973	35.2
95.08607	23.3
97.02895	4.2
97.06515	5.8
97.10169	8.3
105.07042	24.6
107.04951	3.5
107.08582	14.4
108.08176	2.6
109.06502	6.1
109.10131	8.9
111.04382	3.0
111.08108	13.4
113.50324	3.3
119.08584	19.2
121.06522	3.4
121.10133	10.0
123.08047	3.3
129.06995	12.4
131.08589	14.0
133.06473	4.8
133.10147	15.0
137.09575	6.4
142.07770	3.1
143.94676	3.1
147.08037	4.3
147.11678	20.3
149.09631	6.3
152.90509	3.5
157.10123	19.5
175.11176	21.2
193.12251	58.0
211.09616	3.3
211.13234	32.8
211.14986	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	211.133
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
51.17982	0.6
53.03952	1.6
53.28585	0.5
55.01881	1.7
55.05513	6.7
56.96564	1.2
57.03446	2.5
57.07089	3.4
63.72081	0.7
64.59396	0.6
67.05508	12.5
67.57442	0.6
69.03442	2.8
69.07074	20.6
71.00493	0.6
71.05000	7.5
71.53345	1.0
76.81582	0.6
79.05495	8.2
81.03432	2.3
81.06590	1.2
81.07062	20.2
81.23262	0.6
83.04984	6.6
83.08630	2.6
85.02925	0.6
85.06548	8.3
91.04912	0.7
91.05489	22.1
93.07050	20.6
95.04975	25.5
95.08603	8.3
97.06541	2.8
99.04463	2.5
99.08100	9.4
105.07039	28.4
107.04956	1.7
107.08601	12.0
109.06524	23.3
109.07272	1.2
109.10168	12.6
110.78462	0.6
111.04459	0.7
111.08115	2.4
113.06026	2.8
119.04922	0.9
119.08590	10.3
121.02841	1.0
121.06520	1.5
121.10137	3.9
123.04443	3.0
123.08077	3.5
123.11677	3.7
125.06006	1.7
125.09571	0.9
125.31306	0.6
127.07588	3.0
129.06989	1.6
131.08557	6.9
133.06499	2.0
133.10138	100.0
135.08040	1.1
135.11705	3.6
137.05995	9.5
137.09625	8.1
141.05473	1.3
142.07828	0.7
147.07999	1.0
147.11693	22.7
149.05974	1.2
149.09630	2.3
149.13309	1.7
151.03900	0.8
151.07570	6.5
151.11194	62.2
153.09039	0.8
155.07042	18.2
155.10641	4.0
157.10144	1.9
165.05502	0.8
165.09038	0.9
165.12755	5.2
166.02234	0.7
167.07065	6.2
169.08621	1.4
175.11192	11.9
175.12585	1.3
175.14850	2.6
179.07072	3.3
181.08548	1.2
190.53348	0.7
193.04951	1.9
193.08582	1.1
193.12257	28.9
193.15929	3.9
211.07742	0.7
211.09624	0.8
211.11372	0.9
211.13281	24.1
211.16884	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	211.0966
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
53.03933	2.3
55.01863	4.3
55.05515	12.0
56.96575	9.5
57.03436	8.6
57.07083	4.9
61.49189	1.0
65.03915	2.5
65.78100	0.9
66.15733	1.0
67.05510	36.6
68.99793	6.8
69.03437	6.1
69.07071	7.4
69.32433	8.7
70.11645	1.0
71.05001	5.3
71.05324	0.9
73.38687	1.0
77.03946	1.0
79.05073	1.1
79.05504	10.6
79.64251	1.1
80.11765	0.9
81.03432	13.0
81.07063	30.6
83.01333	2.8
83.04986	10.4
83.08638	8.0
84.96020	1.8
85.02911	3.3
85.06548	50.9
86.24229	0.9
91.05486	11.8
93.07059	10.1
95.04973	12.4
95.08057	1.6
95.08616	18.0
96.51543	0.9
97.02905	1.8
97.06516	3.9
97.10151	1.8
97.99183	3.3
99.04470	2.3
99.08096	4.6
105.07036	12.3
106.03150	1.0
107.04956	2.1
107.08595	9.4
109.02881	1.5
109.05805	1.8
109.06528	31.1
109.10146	9.6
111.00797	2.7
111.04441	2.0
111.08091	3.0
113.06004	1.5
115.05518	1.0
116.00256	1.7
117.07007	2.1
119.08594	12.8
121.06504	3.7
121.10162	5.4
123.04434	37.2
123.05342	2.0
123.08079	15.7
123.11724	5.5
125.02377	1.5
125.05995	2.2
125.09644	5.9
127.03899	5.7
127.04704	0.9
127.07574	21.7
129.07010	4.9
131.08585	2.1
133.06496	2.3
133.10106	5.3
135.11714	5.9
137.05989	9.4
137.09578	6.0
137.13280	1.2
139.03900	8.9
141.09125	1.7
141.35884	1.0
142.07722	1.1
144.38835	1.0
147.04344	1.6
147.08058	5.7
147.11688	6.3
149.06001	2.5
149.09605	1.6
149.13281	1.4
151.03912	17.9
151.07547	9.1
151.11176	1.7
153.01830	1.2
153.05505	1.7
155.03372	7.2
155.08481	1.3
157.10107	3.7
159.36945	1.1
164.04692	3.5
165.05479	3.4
165.06952	1.7
165.09131	33.3
165.12750	3.3
167.07056	4.2
167.08463	1.2
167.10690	1.2
169.05026	6.0
169.08566	4.0
169.10078	2.3
170.05722	1.2
175.07599	7.4
175.11162	3.5
175.14844	4.8
179.07124	1.4
183.11653	1.0
192.15816	1.0
193.08617	100.0
193.12206	9.5
193.15842	4.6
196.12541	1.2
205.98727	1.0
211.07784	2.4
211.09656	66.1
211.13072	2.3
211.14853	3.3
211.16953	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	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
52.44835	3.0
53.03958	6.0
55.01859	4.5
55.05514	34.9
55.14927	3.1
56.80230	3.0
56.96569	15.4
57.03429	6.2
57.07047	3.7
60.45403	2.6
65.03945	3.3
67.05508	33.5
69.03418	9.2
69.07062	11.4
71.04994	9.8
71.53242	6.1
79.05059	3.9
79.05490	31.5
81.03426	100.0
81.07053	39.6
83.04984	42.8
83.08630	38.3
85.02901	4.0
85.06533	8.4
91.05486	32.0
93.07046	20.7
95.04974	34.2
95.08600	14.6
97.02889	4.1
97.06530	7.6
97.10149	9.1
97.99155	9.7
98.98495	3.5
105.07022	26.2
107.04958	7.0
107.08582	9.6
109.06548	15.1
109.10162	7.9
111.04446	7.1
111.08082	15.3
116.00198	4.6
119.08622	20.7
121.06536	3.3
121.10119	9.0
123.08060	5.7
123.11679	4.7
129.06992	13.0
131.08556	13.5
133.10115	11.0
137.63751	3.3
142.07767	4.4
144.99216	3.4
147.08041	3.4
147.11690	17.1
149.09590	5.7
157.10153	15.1
165.12704	3.7
175.11221	24.3
184.61078	3.2
193.08560	3.6
193.12224	51.8
211.13229	32.2
211.14944	7.1
212.64163	3.6
222.04114	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	3,4-Dimethoxymethylbenzoate
Peak:m/z	Relative Intensity
55.01875	0.4
55.05514	1.0
56.96568	4.9
57.03424	0.7
65.03941	0.6
67.05517	1.1
69.03434	0.4
69.07076	0.9
70.08094	0.3
70.97987	0.4
70.98318	0.4
79.05499	1.7
81.03417	1.5
81.07057	2.2
83.04991	1.1
83.08620	0.6
84.96040	0.9
85.06543	1.0
91.05485	4.2
93.07061	1.3
94.04183	0.9
95.04965	1.8
95.08621	1.7
97.02933	0.3
97.06513	0.5
97.10217	0.4
97.99174	2.2
99.08137	0.3
103.05462	0.4
105.03362	0.3
105.07032	3.8
107.04961	1.0
107.08599	0.8
108.05765	0.3
109.06517	3.9
109.10158	0.9
111.04477	0.3
116.00212	1.4
119.04957	3.9
119.08580	0.9
121.06512	0.9
121.10177	0.7
121.69688	0.2
122.03652	3.8
123.04424	0.6
123.08072	0.6
125.05919	0.3
125.09634	0.4
127.07600	0.5
133.06516	1.8
133.10135	0.7
135.04414	0.3
135.11711	0.5
136.05183	0.3
137.05977	100.0
138.06348	0.9
139.03928	0.6
146.38541	0.4
147.04407	7.7
147.11700	0.7
149.06023	0.5
149.13362	0.3
151.07544	4.8
153.05455	2.2
154.06306	1.3
155.08553	0.3
161.05975	0.9
163.03880	0.8
164.97173	0.3
165.05424	0.4
165.09073	0.4
168.07944	0.3
169.10143	0.4
175.11156	0.5
178.06204	1.0
179.07027	7.1
181.08546	0.5
181.10065	0.3
183.11620	0.3
193.08580	1.6
193.12236	1.0
211.09630	14.0
211.13022	0.7
211.14847	0.8
211.16727	0.5
234.08746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0967
Annotation	Anserinone B
Peak:m/z	Relative Intensity
55.01868	1.0
55.05517	3.3
57.03444	5.4
57.07078	4.6
65.03957	3.8
66.04381	0.5
67.05511	44.4
68.99787	6.4
69.03438	1.7
69.69067	3.9
79.05503	2.4
81.07059	12.8
83.08621	0.8
85.02898	1.0
85.06551	97.2
90.59855	0.6
91.05473	1.3
92.91328	0.6
95.04977	1.1
95.08619	2.6
99.08091	3.7
104.23770	0.7
105.07029	2.4
107.08607	2.3
109.02894	0.8
109.06528	38.3
111.04435	1.0
113.05997	0.7
119.08588	1.5
121.06503	2.0
123.04440	47.0
123.08078	16.4
125.09646	8.3
126.03176	0.8
127.03929	10.4
127.07565	47.9
129.07040	1.9
133.06564	0.8
137.05989	5.5
137.09633	1.0
139.03917	12.7
142.28796	0.7
147.08086	3.0
149.05981	2.9
151.03929	5.9
151.07544	8.0
153.01839	0.8
153.05472	4.4
155.03389	15.1
160.05214	2.6
163.03969	1.2
164.04744	6.5
165.05499	4.2
165.09135	18.9
167.07069	2.4
169.08641	6.4
175.07573	10.6
193.08624	100.0
194.08905	1.0
211.09679	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0967
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
50.26289	0.3
53.03935	0.4
53.44736	0.2
55.01876	0.7
55.05518	2.3
56.96577	2.5
57.03445	3.1
57.07077	0.8
59.09481	0.2
65.03919	0.5
67.05514	7.2
68.99801	0.5
69.03426	0.7
69.07076	1.5
70.18316	1.1
71.05012	0.7
79.05498	3.8
81.03426	2.3
81.07063	7.1
81.08649	0.3
83.04974	1.4
83.08620	1.3
84.96017	0.6
85.02917	0.5
85.06552	10.8
91.05491	5.1
93.07056	2.4
94.04206	1.1
95.04971	2.1
95.08614	3.9
97.02938	0.3
97.06539	1.4
97.10197	0.7
97.99182	1.1
99.04517	0.4
99.08134	1.3
100.32452	0.3
103.05450	0.6
105.04548	0.3
105.07034	5.4
107.04945	1.3
107.08604	2.0
109.06528	6.5
109.07267	0.4
109.10173	2.0
111.04442	0.4
111.08081	0.8
113.06042	0.6
119.04948	4.3
119.08607	1.8
121.06549	0.8
121.10136	2.2
122.03649	3.4
123.04436	4.8
123.08076	3.1
123.11700	1.0
125.05994	1.0
125.09637	1.2
127.03935	0.9
127.07565	4.4
129.07005	0.6
131.08508	0.3
133.06506	2.6
133.10144	0.9
135.11745	0.4
136.05151	0.3
137.05989	100.0
137.13254	1.2
138.06387	0.4
139.03908	1.9
139.11217	0.5
147.04424	6.8
147.08080	0.6
147.11710	2.2
148.94278	0.3
149.05983	0.6
149.09648	0.6
150.54527	0.3
151.03929	1.0
151.07556	5.9
151.11267	0.4
153.05486	3.1
154.06238	1.0
155.03397	1.6
155.08652	0.5
157.10184	0.4
161.06020	0.6
163.03934	1.1
164.04649	0.7
165.05527	0.7
165.09158	2.0
165.12752	1.3
167.07031	0.5
167.10677	1.2
169.08594	0.9
169.10034	0.6
169.12271	0.4
175.07640	0.8
175.11177	1.1
175.14835	0.8
178.06259	1.0
179.07043	6.8
193.08617	11.6
193.12238	3.6
193.15912	0.6
211.09671	19.4
211.13023	3.7
211.14923	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.28897	0.8
53.03946	1.3
55.01876	3.6
55.05513	13.4
56.96564	1.4
57.03436	4.0
57.07095	4.6
57.97826	0.8
59.05017	1.1
62.53482	0.8
65.03929	2.1
67.05508	21.4
68.99811	1.2
69.03430	5.5
69.07074	13.5
71.05001	11.0
71.53513	1.0
79.05499	18.5
81.03426	12.2
81.07061	37.5
83.01363	1.5
83.04986	10.7
83.08620	7.2
84.08160	1.1
85.02878	2.0
85.06548	8.4
85.66036	0.8
90.35237	0.9
91.05487	21.3
93.07048	33.8
95.04974	17.2
95.08614	30.6
97.02915	2.4
97.06542	4.1
97.10191	2.4
99.04468	2.3
99.08089	5.9
101.05968	0.9
103.05479	3.7
105.03395	0.9
105.07039	25.2
107.04963	3.7
107.07874	1.9
107.08601	35.9
109.02871	2.1
109.06529	11.4
109.10162	25.4
110.03642	1.3
111.04449	1.8
111.08080	5.4
113.06007	1.6
115.05506	0.8
118.04192	1.3
119.04974	5.0
119.08590	19.2
121.06528	4.4
121.10148	8.9
122.07310	1.2
123.04439	45.4
123.08076	7.3
123.11712	10.0
125.09629	6.1
127.03970	1.3
127.07548	2.0
129.07002	2.6
131.04916	1.1
131.08568	4.3
133.06503	5.5
133.10139	37.9
135.08087	1.5
135.11696	40.6
136.05209	1.1
137.05983	10.3
137.09624	4.9
137.13269	2.1
139.11139	1.0
141.05511	1.2
147.04456	5.5
147.08031	1.7
147.11711	12.8
149.02350	1.1
149.05981	3.8
149.09657	2.5
149.13326	4.1
150.06761	2.8
151.03920	5.3
151.07556	26.6
151.11185	23.8
153.12720	2.4
155.07065	5.6
155.08333	1.1
157.10135	3.5
160.92177	0.8
161.05936	1.4
161.07135	1.5
163.14832	50.2
164.04639	0.9
165.05544	2.2
165.09148	3.1
165.12799	3.3
167.07050	29.2
167.08440	1.8
167.10690	1.0
167.14305	1.7
168.17503	1.2
175.11227	6.3
175.14842	15.6
179.07040	100.0
180.07600	0.9
181.08633	3.1
181.15889	3.7
185.98083	0.9
193.04982	3.4
193.08604	8.9
193.10588	1.5
193.12259	16.5
193.15878	5.8
196.12445	0.9
205.98750	1.1
211.05978	1.7
211.09686	18.4
211.11539	1.5
211.13170	9.2
211.14973	1.0
211.16953	20.5
211.18913	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	211.0967
Annotation	Panepoxydone
Peak:m/z	Relative Intensity
53.03930	4.1
55.01875	11.9
55.05514	11.6
56.96569	6.4
57.03442	5.9
57.07063	4.0
65.03947	4.9
66.03917	0.9
67.05510	35.9
68.99772	2.0
69.03433	15.3
69.07098	5.3
70.79053	2.0
71.01361	5.6
71.04978	4.1
74.61581	0.9
79.05496	10.9
80.00431	0.9
81.03427	9.4
81.07059	19.1
83.01328	4.0
83.04995	5.9
83.08624	5.1
85.02916	1.7
85.06550	31.7
91.05487	14.1
93.03404	2.0
93.07055	10.4
95.04973	32.5
95.08618	14.4
97.02873	2.2
97.06526	2.8
97.10158	1.7
97.99183	2.3
99.08086	3.5
100.55169	0.9
101.02370	2.0
105.03375	1.6
105.04533	1.6
105.07049	9.2
107.04933	2.9
107.08601	6.9
109.02878	2.5
109.06521	16.7
109.10158	7.3
111.04432	3.1
111.08064	1.9
113.02370	2.4
113.06017	1.3
114.65279	1.1
117.01830	2.0
117.07034	1.5
119.04936	1.9
119.08597	13.3
121.06487	4.7
121.10156	3.3
123.04440	44.9
123.08076	11.4
123.11682	3.8
125.02376	6.9
125.05943	1.3
125.09647	5.5
127.03931	4.5
127.07566	15.9
128.06245	1.9
129.07019	6.3
131.08609	1.6
133.02831	2.5
133.06506	1.9
133.10150	3.7
135.08005	2.3
135.11702	3.3
137.05992	7.7
137.09581	4.2
139.03894	9.0
143.03400	3.3
147.04449	1.1
147.08046	6.9
147.11682	4.4
149.05968	1.6
149.09608	1.0
151.03920	64.0
151.07564	6.9
151.11147	1.3
153.05441	1.7
155.03418	6.9
157.06520	1.9
157.10158	2.2
164.04628	2.4
165.05533	2.3
165.09123	12.8
165.12755	1.0
167.07025	3.4
169.04979	29.1
169.08583	2.3
175.06218	0.9
175.07545	5.6
175.11195	4.2
175.14967	2.1
183.11667	1.1
193.08629	57.0
193.12190	7.3
193.15884	3.4
205.98764	1.5
211.09662	100.0
211.13141	3.5
211.14865	2.3
211.16925	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	210.149
Annotation	3-Tigloyloxynortropane
Peak:m/z	Relative Intensity
55.05492	2.8
56.96566	1.0
57.03426	0.8
57.07078	3.6
58.06598	0.6
59.04988	1.2
60.04531	12.8
67.05502	6.6
69.03418	0.7
69.07069	5.4
70.06596	5.0
71.04982	2.1
71.54376	0.5
71.54753	0.7
72.04512	1.1
79.05495	3.2
81.03366	0.9
81.06598	1.3
81.07060	25.4
81.73702	0.5
82.06562	0.8
82.07364	0.8
82.76734	0.7
83.04958	1.5
83.08622	2.1
84.08122	1.0
85.02885	1.0
85.06535	1.2
85.94619	0.6
86.06062	1.3
87.04453	0.9
91.05486	4.1
93.07045	6.7
94.06527	1.1
95.04379	1.2
95.04974	23.9
95.08609	8.7
96.08904	0.9
97.06531	2.0
98.06065	3.2
105.07048	6.6
107.08591	11.3
108.07457	0.8
108.08132	10.7
108.08844	0.9
109.06519	24.3
109.10160	7.9
110.06070	1.4
110.06807	1.3
110.10410	0.6
111.08061	0.7
112.07603	1.7
113.05986	2.0
119.08585	1.3
120.08116	0.8
121.06499	0.7
121.10122	2.2
123.08060	1.3
123.11710	35.5
124.11234	1.4
125.09666	0.9
133.10138	9.3
134.10516	0.9
136.08446	0.9
140.14354	1.4
145.96635	0.7
150.09132	13.6
150.12756	4.7
151.11182	16.4
152.11455	0.8
163.97707	2.3
164.07066	1.4
166.13043	1.5
167.06897	0.7
168.13812	7.5
181.98798	0.7
186.99176	1.1
192.14688	1.0
210.14886	100.0
211.14958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75543	3.2
55.05515	50.8
56.72790	3.0
57.07082	35.8
67.05496	5.2
69.07075	100.0
71.08632	11.9
71.53502	3.4
78.22591	3.2
79.05508	6.5
81.07050	8.8
83.08620	57.2
85.10157	2.9
86.31911	3.0
93.07032	5.5
95.08594	7.6
97.10188	44.8
101.86958	3.6
104.79995	3.4
107.08568	3.7
111.04446	4.5
111.11758	20.0
121.10123	4.9
125.13274	5.6
133.70453	3.2
135.11655	3.8
153.05481	3.7
191.51945	3.6
209.09935	3.7
209.11690	5.9
209.15343	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	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03938	4.8
55.01863	4.6
55.05515	88.2
56.44062	1.1
57.03431	4.3
57.07077	2.7
59.04995	4.1
67.05508	12.6
69.03438	8.7
69.07071	10.6
70.40471	1.4
70.40816	4.1
71.04980	5.7
79.05492	12.8
81.03396	1.2
81.07067	19.9
83.04988	84.4
83.08623	55.3
83.09129	2.2
85.02916	1.5
85.06543	5.6
91.05489	10.1
93.03408	1.6
93.06494	1.4
93.07050	20.4
95.04974	12.8
95.08608	13.3
97.06535	14.7
97.10188	12.9
99.04436	3.3
99.08096	3.5
103.05456	3.1
105.07037	12.2
106.04189	4.0
107.04959	5.4
107.08604	40.7
108.81093	1.2
109.06533	17.9
109.10162	31.5
111.04420	2.8
111.08086	13.2
113.09640	3.0
113.78862	1.2
114.82244	1.3
117.07008	4.1
119.04923	1.5
119.08568	4.7
121.06528	12.1
121.10149	19.0
123.08066	5.5
123.11710	18.8
125.05965	3.0
125.09632	18.7
126.01050	2.0
131.04915	4.2
131.08569	15.2
131.87038	1.2
133.10133	16.3
135.08044	8.0
135.11696	4.7
137.05972	1.5
137.09595	2.1
139.07526	1.9
145.10120	7.3
147.11720	2.1
149.06023	6.0
149.09654	11.7
149.13252	13.6
151.11191	65.6
153.05516	1.8
153.09122	6.5
163.07573	3.2
163.11208	9.3
163.14812	3.7
167.14325	100.0
173.13252	7.5
177.05487	3.1
181.08577	1.5
191.10698	6.1
191.14339	10.9
209.08095	3.9
209.11874	9.6
209.15370	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.48264	2.0
53.03934	3.8
55.05516	100.0
55.95768	1.9
57.03436	1.9
57.07054	3.8
59.04971	7.5
59.88975	1.6
65.03891	2.5
67.05502	12.1
67.44391	1.6
69.03430	10.2
69.07063	12.6
71.04967	8.0
71.10992	1.7
71.38221	3.2
79.05506	14.0
81.07057	17.5
82.06561	2.8
83.04988	75.4
83.08625	69.9
85.06523	6.0
89.06025	2.2
91.05477	11.0
93.07051	35.9
95.04973	60.6
95.08622	12.7
97.06541	14.0
97.10175	10.6
99.04472	11.7
99.08081	2.4
100.11269	13.2
103.05451	2.6
105.07037	11.5
107.08602	50.7
107.42385	1.7
109.06520	28.3
109.10164	31.1
111.08099	15.4
112.08842	1.8
113.09612	2.7
117.06921	1.7
119.08537	6.9
121.06454	4.4
121.10149	96.3
123.08068	3.3
123.11724	12.1
125.05966	2.5
125.09634	16.2
131.08559	11.3
133.10144	18.9
135.08014	3.1
135.11644	5.1
139.08647	3.1
145.10052	5.5
148.93588	1.9
149.05925	3.5
149.09615	8.6
149.13316	10.4
151.11194	72.1
151.42029	1.7
153.09142	19.6
163.14828	19.0
167.14328	93.1
173.13304	9.4
177.05432	2.6
178.41933	1.7
191.10648	2.5
191.14320	17.0
209.08008	2.5
209.11623	4.9
209.15271	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.67350	2.3
53.40563	2.2
54.90298	1.9
55.01873	3.9
55.05520	17.6
57.07067	5.3
59.05000	5.2
60.75587	2.5
67.05508	19.9
69.03440	16.4
69.07078	27.1
69.98260	5.1
69.98647	4.9
70.74962	2.2
71.04999	14.9
78.04674	2.3
79.05492	13.7
81.07059	21.1
83.04987	48.9
83.08617	8.4
85.06551	4.5
91.05498	13.6
93.07060	26.2
95.04980	42.0
95.08611	45.8
97.06543	14.1
98.20868	3.5
99.04459	8.6
99.08097	2.6
103.05493	4.6
105.07034	15.4
106.04200	3.1
107.08605	64.7
109.06532	23.0
109.10180	21.9
111.08092	9.0
113.05991	8.3
113.09593	2.2
119.08585	7.7
121.01009	2.2
121.06522	15.2
121.10155	41.6
123.08077	14.5
123.11740	3.2
125.05952	3.6
125.09650	18.0
131.04968	3.3
131.08560	19.2
133.10149	40.3
135.08064	17.8
135.11699	31.3
137.09598	9.1
139.07513	3.1
139.11169	7.3
145.10118	9.0
147.11690	14.7
149.05989	6.5
149.09613	22.3
149.13287	26.5
150.58597	2.2
151.09972	4.9
151.11198	100.0
153.09117	21.7
158.10919	2.9
163.11153	6.5
163.14833	19.4
167.10658	6.4
167.14299	5.6
173.13274	23.8
177.05533	3.8
191.10672	7.1
191.14317	88.9
209.04381	3.4
209.08000	4.2
209.10016	2.2
209.11766	11.8
209.15375	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	Apo-9-zeaxanthinone
Peak:m/z	Relative Intensity
53.03941	0.7
54.50619	0.5
55.01871	0.9
55.05508	1.3
57.07076	4.2
59.04986	0.8
67.05506	3.3
69.03431	0.9
69.07062	1.9
71.05009	3.1
79.00681	0.7
79.05500	3.4
81.07059	6.2
83.04987	1.2
83.08637	0.8
85.06541	0.7
91.05471	3.0
92.04306	0.4
93.03395	0.5
93.07041	4.6
95.04979	4.2
95.08610	5.5
97.06532	1.8
98.20705	1.2
99.08098	0.5
103.05439	1.2
104.13478	0.5
105.07030	4.5
106.04137	0.9
107.08600	7.6
109.06525	100.0
109.10164	12.7
111.08073	2.1
117.07018	0.9
119.08585	1.8
119.89890	0.6
121.06509	2.4
121.10141	3.7
123.08073	9.6
125.06059	0.5
125.09644	0.9
129.43645	0.5
131.04961	0.9
131.08583	5.7
131.44493	0.5
133.10146	3.1
135.08064	26.3
135.11732	1.5
139.27029	0.5
145.10112	2.7
147.11668	1.2
149.06004	1.6
149.09636	3.4
149.13274	1.3
150.10439	1.0
151.11229	1.3
153.09120	4.8
158.10912	1.0
161.09593	0.7
163.11180	1.4
163.14857	0.9
165.12759	1.1
167.15919	0.6
173.13258	7.1
176.11964	0.9
177.05476	0.9
180.97562	0.5
191.14316	24.9
209.09796	0.7
209.13420	1.0
209.15363	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	0.8
55.01867	1.5
55.05509	1.9
57.03437	0.7
57.07074	4.5
59.05013	0.7
60.18180	0.5
65.03957	0.7
67.05505	5.0
69.03427	1.8
69.07068	3.2
69.53919	2.3
71.04982	4.3
79.05493	6.4
81.07053	6.1
83.04974	2.4
83.08619	1.6
85.06544	1.1
91.05477	4.2
92.06239	0.4
93.03411	0.4
93.06479	0.6
93.07045	7.6
95.04971	3.8
95.08602	6.3
97.06531	3.0
97.10231	0.8
99.04490	1.1
99.08087	0.9
103.05493	0.9
105.07030	5.8
106.04182	1.0
107.04951	1.1
107.08598	8.5
109.06520	100.0
109.10155	11.0
111.04498	0.5
111.08096	2.2
113.09686	0.4
115.05469	0.6
117.07002	1.3
119.08570	1.8
121.06526	3.4
121.10142	5.8
123.08081	9.9
123.11673	0.8
125.06008	1.4
125.09634	2.0
131.04936	1.0
131.08577	8.5
133.06531	0.5
133.10132	4.1
135.04399	0.5
135.08057	25.3
135.11604	1.7
137.05923	0.4
137.09615	0.6
139.11140	0.6
145.10133	3.9
147.08035	0.5
147.11650	2.0
148.08835	0.5
149.05995	1.5
149.09636	4.3
149.13284	3.1
150.10419	1.5
151.11162	3.0
153.05473	0.8
153.09111	5.3
153.78209	0.5
158.10953	1.3
161.09659	0.7
163.11205	2.2
163.14851	1.3
165.07022	0.4
165.12787	0.4
167.07059	1.2
167.14311	0.8
167.82033	0.3
167.96414	0.4
173.13245	6.7
176.11963	0.6
177.05463	1.3
181.08699	0.5
181.10182	0.5
191.10719	3.0
191.14308	24.4
209.09637	1.1
209.11746	5.7
209.15369	13.7
209.17368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	Apo-9-zeaxanthinone
Peak:m/z	Relative Intensity
50.82509	0.5
53.19167	0.5
55.01866	0.9
55.05503	1.6
57.07080	3.5
59.04995	0.5
64.00346	0.6
67.05505	4.2
69.03419	1.0
69.07081	2.6
71.04985	2.3
71.32965	0.8
71.33312	0.8
79.05502	4.6
81.07057	5.3
81.37265	0.6
83.04967	1.0
83.08620	1.0
91.05486	4.1
93.07055	4.8
94.47598	0.5
95.04969	4.2
95.08611	5.0
97.06544	1.5
98.81796	0.5
99.04469	0.8
99.08109	0.7
99.52868	0.5
103.05439	0.6
105.07032	5.0
106.04161	0.5
107.04887	0.6
107.08606	7.4
109.06521	100.0
109.10163	10.9
111.08090	1.1
117.07046	1.2
119.08596	2.4
121.06502	2.1
121.10103	3.2
123.08072	10.5
129.07042	0.8
131.08563	6.1
132.94005	0.6
133.06454	0.7
133.10124	4.4
135.08064	26.7
135.11678	1.1
137.09593	0.7
139.11128	0.6
143.08595	0.6
145.10112	3.2
147.07953	0.6
147.11707	3.0
149.06015	1.3
149.09656	3.8
149.13277	2.2
150.10533	1.1
151.11211	1.5
153.09097	4.6
158.10933	1.3
161.09605	0.8
163.11246	1.5
173.13281	7.1
181.08719	1.2
191.14311	30.3
194.09398	0.6
209.08118	2.2
209.09990	0.7
209.11783	2.1
209.15364	11.8
229.52592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03951	0.9
55.01868	1.7
55.05515	5.3
57.03429	3.5
57.07065	3.1
59.04992	2.5
61.89819	0.7
62.00208	0.8
65.03957	1.3
67.05511	7.5
69.03429	1.9
69.07079	5.8
70.49261	1.6
70.49655	1.5
71.04993	2.6
79.05495	10.0
81.07066	22.8
83.04993	4.3
83.08625	5.4
85.02898	1.5
85.06548	2.2
91.05499	8.4
93.07059	12.6
95.04975	17.1
95.08604	7.1
97.06544	33.2
99.04456	3.2
99.08127	0.9
103.12672	0.9
105.07037	11.1
106.04156	1.9
107.08601	19.8
109.06530	100.0
109.10172	20.4
111.08113	4.0
112.17289	0.7
113.06082	1.4
113.09676	0.9
113.97453	0.9
115.07604	0.8
117.07061	2.3
119.08589	5.2
121.05758	0.8
121.06497	4.6
121.10152	17.9
122.38309	0.9
123.08088	5.1
123.11710	2.5
125.05978	1.0
125.09657	2.6
126.01101	6.9
129.07051	1.1
131.08592	10.4
133.10147	37.0
135.08083	11.8
135.11725	2.7
137.09647	1.0
139.07565	1.1
143.08640	1.0
144.09328	1.0
145.10133	4.6
147.08131	0.8
147.11703	3.3
149.05992	3.1
149.09647	3.6
149.13293	5.3
151.11201	4.0
153.09123	23.9
158.10942	2.5
163.07567	1.3
163.11208	1.9
163.14853	5.5
167.14325	4.9
173.13275	14.9
177.05505	1.5
187.42828	0.9
191.07024	1.0
191.10704	1.8
191.14313	21.2
209.06194	1.6
209.08072	6.9
209.11803	1.2
209.15401	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03965	1.6
55.01879	1.1
55.05520	6.7
57.00070	0.6
57.03447	3.7
57.07087	3.2
59.05008	2.9
65.03944	1.2
67.05510	10.6
69.03449	2.3
69.07073	8.4
69.25803	2.4
69.26221	2.7
71.04996	4.7
79.05499	14.4
81.03430	0.9
81.07066	27.8
83.04989	5.5
83.08632	4.8
85.06558	3.3
85.10155	0.8
91.05491	9.6
93.07053	18.7
93.21911	0.6
95.04372	1.1
95.04980	20.6
95.08617	12.7
97.06543	32.6
97.10178	1.0
99.04462	4.6
99.08102	2.1
100.11263	0.7
103.05486	1.5
105.07044	14.8
106.04200	1.0
107.04964	1.3
107.07883	1.4
107.08609	25.0
109.06530	100.0
109.10167	21.3
109.10928	0.8
111.08099	7.0
113.06030	0.9
113.09663	1.2
115.05477	0.7
115.07565	1.1
117.07026	2.4
119.08568	6.7
121.06518	5.1
121.10160	23.2
123.08095	7.4
123.11721	3.2
125.05946	0.6
125.09632	3.9
129.06979	0.6
130.07776	0.7
131.04947	0.9
131.08585	14.4
133.10144	41.5
135.08061	11.7
135.11674	3.9
137.09660	2.9
139.11229	0.9
143.08560	1.1
145.02922	0.9
145.10121	5.8
147.11707	3.6
149.05992	2.8
149.09662	4.9
149.13287	6.2
151.11201	4.5
153.09120	24.9
158.10944	2.7
161.13286	3.4
163.11235	2.8
163.14825	8.2
165.12787	1.5
167.14345	3.4
167.96419	0.7
173.13293	17.9
179.14328	2.4
179.16946	0.6
191.10707	1.7
191.14317	26.0
208.77110	0.6
209.04401	0.8
209.07997	1.4
209.09859	0.9
209.11792	3.2
209.15370	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.62178	1.8
53.03931	3.3
55.01862	5.9
55.05515	12.4
56.02988	1.8
57.03430	6.1
57.07062	8.4
59.04991	5.7
61.02923	2.0
65.03943	2.1
67.05511	15.8
68.99782	2.8
69.03428	9.5
69.07066	19.2
71.04995	11.1
78.78020	2.0
79.05496	17.2
81.07054	32.9
83.04989	21.0
83.08643	10.0
85.06548	12.2
91.05478	17.2
93.06487	2.6
93.07051	42.1
95.04971	20.8
95.08613	29.1
97.06521	14.3
97.10139	3.0
98.20347	1.8
99.04443	6.3
99.08093	22.3
103.05453	3.7
105.07041	25.3
106.04183	3.5
107.04961	9.7
107.08594	61.5
109.06508	16.6
109.10157	27.4
111.08081	10.6
113.09642	2.6
113.26789	1.6
117.06982	3.0
119.08575	10.4
121.06515	19.2
121.10142	49.9
123.08076	18.7
123.11689	8.5
125.05985	6.2
125.09647	12.8
131.04921	2.6
131.08563	22.5
133.10130	26.7
135.08044	26.4
135.11687	9.6
137.09575	13.5
139.07532	6.3
139.11156	3.5
145.10188	10.5
147.11653	8.3
149.05945	4.8
149.09621	100.0
149.13257	33.9
151.11186	53.0
153.09094	13.8
158.10886	3.2
161.13304	1.9
163.07539	3.3
163.11194	2.7
163.14807	21.6
165.09152	3.3
169.00305	2.3
173.13275	34.5
181.03479	2.0
187.22070	1.7
191.14313	44.9
194.05782	3.1
209.08064	7.3
209.11877	2.7
209.15361	63.2
229.64548	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05522	4.3
57.07075	7.3
62.14422	0.8
67.05505	7.7
68.82632	0.8
69.03436	24.3
69.07063	5.1
71.04996	1.0
71.39235	1.3
79.05495	7.8
81.07065	10.2
83.04992	14.8
83.08602	1.5
85.06552	8.7
91.05471	4.4
93.07061	4.7
95.04961	1.3
95.08621	10.1
97.06525	2.9
99.08083	1.0
105.07038	6.6
107.08613	24.2
109.06527	12.0
109.10130	3.7
111.08094	9.2
119.08568	3.6
121.06495	2.0
121.10157	12.3
123.08087	4.8
123.11700	5.8
125.09642	67.4
131.08571	8.3
133.10138	8.6
135.08076	17.1
135.11732	4.8
137.09598	0.9
143.08580	1.6
145.10121	3.6
147.11696	5.0
149.09619	9.8
149.13261	6.6
150.10405	1.7
151.11168	3.3
153.09131	16.1
158.10881	3.4
161.09608	1.7
163.11191	4.4
163.14764	6.3
163.19778	1.1
165.12747	9.5
173.13268	26.7
176.11942	2.1
191.14326	100.0
193.46805	1.0
209.15384	99.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
50.64729	1.6
53.03936	2.5
55.01878	1.9
55.05514	94.8
57.03437	2.1
57.07063	2.1
59.05000	3.0
65.92243	1.5
67.05511	9.9
69.03436	8.2
69.07072	7.5
69.20234	13.3
71.04990	2.5
79.05495	5.4
81.07063	16.2
83.04986	96.1
83.08620	55.9
85.06521	3.3
91.05478	4.7
93.07046	22.7
95.04972	21.8
95.08622	10.0
97.06540	12.7
97.10183	12.3
99.04454	2.2
105.07036	8.2
106.04150	1.8
107.08601	29.7
109.06516	16.6
109.10165	28.4
111.08059	11.2
113.09677	3.5
119.08575	2.2
121.10154	36.9
123.11700	14.8
125.09648	15.6
129.16449	1.4
131.08589	3.1
133.10123	11.0
135.08087	3.0
145.10124	2.2
149.13301	8.3
151.11188	52.0
153.09088	9.0
154.41690	1.4
163.14854	7.1
167.14328	100.0
173.13289	3.5
191.14374	7.7
209.15375	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03947	1.6
55.01866	2.8
55.05515	6.3
56.96570	0.7
57.03426	1.7
57.07087	6.9
59.04996	1.4
65.03936	1.3
67.05509	9.5
69.03436	10.6
69.07079	5.7
69.71427	1.4
69.71825	2.3
71.04997	5.2
79.05499	11.5
81.03441	0.9
81.07072	16.0
83.04989	7.7
83.08625	3.5
85.06543	4.9
91.05499	9.9
93.07062	13.1
95.04986	8.5
95.08605	10.1
96.98754	0.8
97.06548	5.9
99.04453	2.5
99.08101	1.2
103.05493	1.7
105.07050	11.9
106.04190	2.3
107.04943	2.3
107.08611	33.4
109.06531	100.0
109.10169	15.1
110.87733	0.7
111.04424	0.9
111.08114	5.5
115.05462	1.7
117.07063	4.3
119.08578	5.4
121.06512	5.3
121.10155	13.1
122.07299	2.1
123.08076	10.6
123.11691	3.7
125.06032	2.1
125.08764	1.5
125.09656	23.5
127.07455	0.8
129.07008	0.9
131.04929	1.7
131.08591	7.4
133.10143	29.5
133.21454	0.8
134.03622	0.8
135.08072	37.7
135.11711	4.2
137.09644	17.1
139.07545	1.7
143.08559	2.2
145.10127	6.5
147.08083	1.5
147.11674	2.8
148.08777	0.8
149.05986	3.6
149.09630	8.7
149.13286	13.1
150.10435	1.3
151.07556	1.2
151.11223	4.7
153.01855	4.3
153.09134	10.3
158.10873	2.4
161.09586	1.2
161.13292	1.5
163.07527	1.7
163.11198	5.9
163.14803	4.8
165.12843	4.2
167.14310	1.4
173.13290	16.7
177.05484	1.4
181.08620	2.0
185.97424	0.9
191.10687	2.9
191.14331	54.4
194.09370	2.0
209.04402	1.3
209.08107	3.2
209.12000	5.7
209.15387	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03929	3.8
55.01868	1.8
55.05513	86.1
57.03428	1.5
57.07069	2.1
59.04987	4.5
67.05508	10.1
69.03437	7.2
69.07051	6.0
69.99923	6.2
71.04990	4.2
73.01072	1.1
75.15079	1.3
79.05497	6.9
81.07064	12.4
83.04985	93.8
83.08623	54.4
84.68562	1.3
85.06543	4.5
91.05482	3.3
93.07043	14.0
94.40363	1.3
95.04991	9.5
95.08607	9.1
97.06512	8.6
97.10167	10.9
98.20854	2.5
99.04425	1.5
99.08086	2.1
105.07024	5.9
106.04175	1.4
107.08600	26.0
107.45454	1.3
109.06522	7.9
109.10159	29.2
111.08074	12.9
112.08873	1.8
113.09636	1.8
119.08599	2.8
121.06491	1.6
121.10146	22.0
122.33977	1.2
123.08065	2.7
123.11716	16.1
125.09627	16.7
130.67139	1.3
131.08583	5.2
133.10118	8.5
135.11729	1.7
145.10155	1.8
149.05974	2.0
149.13266	10.2
151.11189	59.1
153.09169	2.3
163.11203	1.4
163.14792	4.2
167.14325	100.0
173.13286	3.5
191.10611	2.0
191.14304	5.1
209.08026	2.3
209.12085	1.7
209.13490	2.8
209.15381	44.7
209.17386	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01866	2.6
55.05511	34.5
57.03432	7.8
57.07075	5.4
59.05024	2.2
59.22518	2.0
59.87749	1.7
60.88338	1.9
67.05501	15.4
69.03426	5.3
69.07064	10.2
69.69911	5.1
69.70327	6.4
69.77650	1.9
71.05012	9.7
73.70125	1.8
79.05501	11.2
81.07063	24.4
83.04987	64.4
83.08643	13.8
84.15210	2.0
85.06557	4.0
91.05497	11.0
93.07056	25.2
95.04976	31.7
95.08605	20.5
96.63000	1.9
97.06534	22.9
97.10191	3.5
98.20758	3.5
99.04462	6.2
99.08136	2.5
105.07024	15.0
107.04989	2.3
107.08605	32.0
109.06525	100.0
109.10155	29.1
111.08078	9.0
113.09626	2.9
117.06982	2.4
117.41465	1.8
119.08579	8.0
121.06503	3.6
121.10160	30.8
123.08089	22.8
123.11718	7.5
125.09615	9.2
127.07596	2.0
129.06967	2.3
131.08585	16.5
133.10139	29.5
135.08078	20.0
135.11691	4.5
137.09642	2.7
143.08601	1.8
145.10126	6.2
147.11694	4.6
149.09641	19.9
149.13292	15.7
151.11185	22.4
153.05473	5.8
153.09117	23.2
163.07681	2.0
163.11130	3.6
163.14833	5.3
165.09042	2.8
165.12805	3.3
167.10670	2.8
167.14311	17.9
173.13300	13.9
191.10629	2.6
191.14317	27.0
209.11745	2.5
209.15381	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
50.00428	0.7
53.03929	2.0
55.01882	3.3
55.05505	5.3
57.03435	1.7
57.07063	3.2
58.30506	0.8
65.03913	0.8
67.05504	4.9
69.03433	3.4
69.07067	11.6
69.39506	5.8
71.04993	3.9
71.94344	0.7
77.03893	1.3
79.05496	30.8
79.82443	0.7
81.03407	2.4
81.07056	16.2
81.37062	0.7
82.94798	0.7
83.04981	7.0
83.08601	2.3
85.06536	1.9
89.06037	0.7
91.05477	11.6
93.02753	0.9
93.07043	43.9
95.04965	6.3
95.08607	6.3
96.48775	0.7
97.05930	1.2
97.06531	21.9
97.10176	1.3
98.29681	0.7
99.04472	1.8
103.05460	3.0
105.03391	1.3
105.04486	1.2
105.07032	26.2
106.04146	2.8
107.04958	12.5
107.08595	33.7
109.05810	0.9
109.06517	14.1
109.10165	4.5
111.04446	3.6
111.08035	2.1
117.07003	2.6
119.08578	6.8
121.05673	1.2
121.06507	15.4
121.10143	32.2
123.08064	3.6
123.11687	3.0
123.97401	1.2
125.05993	19.8
125.08804	0.8
125.09563	4.2
127.46474	0.8
129.07013	1.4
130.07735	1.6
131.04913	2.7
131.08569	47.0
133.06512	0.9
133.10149	3.8
135.04395	6.2
135.08060	6.0
135.11714	7.1
137.05974	1.1
137.09610	0.8
139.07552	8.0
139.11179	0.9
141.05438	1.8
144.94760	0.8
145.10127	34.4
147.08029	1.3
147.11684	12.4
149.06009	6.3
149.09621	26.1
149.13269	2.0
151.07544	5.8
151.11172	2.8
153.05467	12.6
153.09114	4.4
161.13287	1.4
163.07547	1.0
163.11185	26.3
163.14807	5.3
163.33170	0.7
165.06900	0.9
165.12721	1.9
167.07050	15.7
167.10651	2.2
167.14313	2.9
167.96370	2.3
173.09624	2.0
173.13223	4.3
177.05440	1.8
181.08643	1.0
181.12230	1.5
185.97466	1.2
191.06999	1.6
191.10674	32.1
191.14278	8.0
194.07188	1.0
209.04437	2.2
209.11716	100.0
209.15125	18.2
210.12097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
51.02384	0.6
51.11538	0.5
53.03949	0.8
55.01873	0.9
55.05502	1.7
57.07072	1.0
57.09063	0.4
59.04985	0.5
65.03932	0.9
67.05496	2.2
69.03434	3.0
69.07061	1.7
69.70810	1.9
69.71219	1.2
70.58319	0.5
71.04991	1.1
78.04723	0.4
79.05501	3.7
79.31229	0.4
81.03408	2.0
81.07079	3.2
83.04970	1.8
83.08606	0.7
85.06539	1.2
91.05487	9.2
93.03397	1.8
93.07049	4.1
95.04990	3.5
95.08615	4.0
97.06565	0.8
103.05479	3.3
104.06237	0.7
105.07052	4.6
106.04168	0.9
107.04961	9.9
107.08609	5.9
108.05683	1.3
109.06522	5.9
109.10172	0.8
110.03627	0.6
111.04450	1.5
111.08069	0.7
115.05502	2.4
116.06232	0.5
117.07021	3.2
118.04156	0.5
119.04950	7.0
119.08597	2.4
121.06517	12.8
121.10143	4.3
123.04430	3.0
123.08073	4.4
123.11711	1.0
124.05180	0.6
124.23727	0.4
125.05996	1.6
128.07178	0.4
131.04927	3.0
131.08582	2.8
132.05716	0.8
133.02896	3.6
133.06480	3.9
133.10129	1.4
134.07292	1.5
135.04465	1.2
135.08064	9.1
135.11699	1.0
136.05199	3.5
137.05978	4.8
137.09642	1.1
138.06761	2.0
139.03915	0.6
139.07564	0.9
145.06496	2.3
145.10150	1.7
146.07265	3.6
147.04413	10.8
147.08051	8.0
147.11681	1.6
148.05183	4.1
148.08830	1.0
149.05984	6.1
149.09618	7.1
149.13251	1.8
151.03873	1.5
151.07552	15.3
151.11188	1.6
152.08344	1.5
153.01866	2.6
153.05476	8.8
153.09097	1.3
154.06230	1.9
155.07330	0.5
161.05965	2.9
161.07082	0.6
162.06784	8.4
163.07550	17.4
163.11201	1.4
164.08293	1.3
165.05490	10.3
165.09146	0.6
165.11414	0.9
165.12769	16.6
166.06267	12.5
167.07065	0.8
167.14240	0.6
168.07829	19.4
169.08585	1.5
170.37846	0.4
173.09589	0.6
173.13280	1.3
176.08302	0.6
177.05606	0.6
177.09117	10.9
178.09898	40.6
179.07043	20.8
179.10541	2.4
181.08604	55.8
191.10654	2.0
191.14313	3.6
194.09402	45.7
209.08388	13.2
209.11740	100.0
209.15012	11.6
210.12097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
52.32751	1.6
53.03954	1.6
53.80942	1.4
54.53307	1.5
55.01867	4.9
55.05519	7.8
57.03426	3.2
67.05510	8.3
69.03426	2.6
69.07074	14.5
69.70789	3.0
69.71196	7.3
71.04653	1.9
71.05004	21.4
75.45142	1.5
76.79979	1.4
79.05074	3.0
79.05499	42.3
81.07078	9.2
83.04989	9.8
91.05488	18.7
93.03410	1.7
93.07047	36.8
95.04995	14.2
95.08627	2.2
97.06539	11.3
98.20807	2.1
99.04488	2.7
103.05476	2.6
103.80801	1.5
105.07033	29.2
106.62603	1.5
107.04965	14.9
107.08604	51.9
109.06539	11.1
109.10143	3.0
116.06275	2.7
117.07033	8.0
119.08572	9.0
120.60526	1.6
121.06525	39.8
121.10152	29.2
123.04372	1.8
125.05995	7.6
125.09628	3.4
129.06964	3.4
130.07796	2.4
131.04979	2.5
131.08578	100.0
133.10078	4.8
135.04440	2.6
135.08060	3.9
135.11693	5.0
139.07565	2.5
141.05501	2.9
143.08600	2.4
145.10124	39.2
147.08067	3.0
147.11703	4.0
149.05980	5.7
149.09628	77.6
151.07605	2.0
151.11165	4.2
153.05478	13.3
153.09119	3.7
163.11188	30.8
163.97073	1.6
165.09142	2.7
167.07059	5.1
167.10660	4.7
167.14304	3.5
173.09563	5.0
173.13306	3.9
191.10677	34.5
191.14246	2.3
195.53952	1.8
209.11737	65.8
209.15373	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	209.1175
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03961	2.5
55.01869	5.7
55.05520	9.2
57.03425	3.2
59.12795	1.6
59.37495	1.6
67.05491	7.3
69.03441	2.1
69.07078	18.7
69.20890	12.1
69.21313	5.0
71.05002	23.8
79.05069	2.7
79.05504	36.7
81.07057	11.4
83.04995	9.4
83.08626	3.8
91.04975	2.2
91.05495	20.3
93.07056	38.7
95.04972	13.5
95.08606	3.6
97.06541	13.2
99.04437	2.9
105.07049	24.2
107.04975	14.6
107.08613	59.8
109.06533	19.2
109.10171	3.1
115.05437	2.1
117.07004	6.7
119.08598	9.7
119.36050	1.6
121.06506	35.2
121.10166	32.0
123.08073	1.7
125.06005	6.8
125.09667	1.9
129.06996	2.4
130.07794	2.9
131.08591	100.0
133.10153	7.8
135.04370	3.6
135.08061	6.1
135.11678	5.8
141.05479	5.5
145.09065	2.7
145.10138	36.6
147.08014	3.0
147.11719	2.9
149.06020	5.3
149.09639	76.1
151.11221	2.9
153.05475	13.5
153.09111	4.4
163.11200	31.4
163.14807	2.0
165.09106	3.9
167.07056	4.3
167.10698	3.2
167.14352	3.2
173.09615	5.0
173.13258	1.7
191.10707	32.5
191.14349	5.3
208.02107	1.8
209.11757	68.9
209.15152	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	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03941	2.1
55.01871	4.6
55.05025	1.2
55.05513	6.7
57.03426	3.6
67.05505	8.8
69.03429	2.9
69.07072	14.4
71.05009	19.6
79.05499	38.0
81.03433	1.5
81.07048	8.7
83.04983	8.8
83.08615	1.4
85.06541	1.7
91.05482	19.1
93.07052	42.8
93.07647	2.4
95.04985	12.7
95.08624	3.4
97.06532	10.3
99.04462	2.5
103.05501	1.9
105.07031	21.1
105.07691	1.8
106.04144	1.3
107.04961	14.7
107.08601	47.8
109.06538	10.7
109.10151	3.6
111.04464	2.6
112.80592	1.4
117.07038	5.0
119.08611	7.9
121.06509	31.7
121.10152	39.9
123.04412	1.3
123.08084	3.1
123.11730	1.4
125.05994	7.2
125.09648	2.6
129.06995	3.7
130.07813	2.2
131.04921	1.9
131.08572	100.0
133.10153	3.8
135.04436	1.7
135.08035	5.3
135.11705	4.7
139.07555	3.2
141.05525	2.3
143.08513	1.6
143.18782	1.2
145.10127	34.4
147.08076	2.6
147.11688	3.7
149.05971	4.8
149.09627	66.2
151.07527	1.3
151.11188	4.0
153.05478	12.7
153.09111	4.8
163.11191	24.7
163.14850	4.7
165.09116	3.1
167.07042	4.9
167.10680	2.6
167.14308	4.2
173.09637	3.4
173.13306	2.4
177.05481	1.5
191.10664	30.0
191.14326	4.2
209.04478	2.7
209.11751	58.6
209.15210	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	208.0971
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
51.02380	0.6
51.90692	0.5
55.05500	0.7
56.96547	0.9
57.03434	0.6
60.04531	61.4
63.22847	0.5
67.05496	0.9
69.03434	1.4
69.07077	2.7
70.48825	1.1
70.49223	1.0
71.04995	0.7
79.05500	22.9
81.03427	0.6
81.07059	3.0
82.07375	0.5
85.02908	0.7
85.75372	0.5
88.25317	0.5
90.28625	0.6
91.05486	1.2
92.05837	1.1
93.07041	0.9
95.04970	0.8
95.08612	2.1
96.61703	0.5
98.97579	4.8
103.05478	7.2
105.07034	2.0
106.06566	45.3
107.04963	100.0
107.08598	1.4
108.08927	0.9
109.10162	0.6
110.10529	0.5
112.99187	0.5
113.35786	0.5
115.42006	0.5
116.98616	1.5
117.93266	0.5
119.08578	0.9
120.08102	1.2
120.08923	1.2
121.06482	1.0
121.10178	0.7
125.05892	0.5
131.04941	42.1
131.08601	0.7
132.05316	0.5
135.08046	0.6
137.09604	0.7
138.09984	0.8
144.08836	0.5
148.02522	1.0
148.07584	27.3
149.05989	8.4
149.09642	0.7
158.99727	2.3
162.06380	1.0
162.10094	0.7
166.08661	1.2
169.27077	0.6
177.00717	1.6
178.07600	1.2
187.08066	1.3
187.58252	0.6
190.08621	6.3
208.09837	2.2
208.14188	2.7
209.15446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
51.58096	1.2
51.59898	1.2
53.03942	1.6
55.05515	12.3
57.07062	3.5
67.05508	18.9
69.03417	4.5
69.07076	12.6
70.64606	3.3
71.04999	2.4
71.64120	1.2
79.05495	11.7
80.94969	2.5
81.07063	37.6
83.04974	3.3
83.08617	7.9
85.02903	2.1
85.06573	1.7
91.05486	22.1
93.06487	2.0
93.07047	26.7
95.04986	1.7
95.08614	100.0
97.06519	3.1
97.10162	3.3
97.42391	1.3
103.05448	1.6
105.07043	53.7
107.07885	2.2
107.08602	40.7
109.06519	5.1
109.10162	21.8
111.08138	2.0
115.96460	14.2
116.97231	3.7
117.07132	1.4
119.08592	77.3
121.10145	21.2
121.97558	2.7
123.08064	5.9
123.11723	8.7
131.08569	4.2
133.10143	56.4
133.97485	4.4
135.11670	4.7
137.05930	1.5
137.09589	3.2
137.13190	1.4
145.10095	4.6
147.04404	1.7
147.08041	2.8
147.11702	42.2
149.09613	4.0
149.13287	10.1
151.07536	2.1
151.11203	2.5
156.99092	2.3
161.13264	31.0
162.82607	1.4
163.14789	6.5
165.09175	1.3
165.12701	3.1
165.96529	3.9
171.11742	1.7
179.17953	1.3
183.97635	4.1
184.00169	2.7
189.12753	5.0
189.16394	86.8
192.14877	1.6
206.99031	1.6
207.06468	3.0
207.09979	2.3
207.11839	2.6
207.13828	12.1
207.15567	2.9
207.17450	44.8
207.19409	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03943	1.2
55.05511	5.9
56.96656	1.0
57.03426	3.7
57.07063	3.3
65.50195	0.8
67.05502	5.0
69.07058	9.6
71.04992	2.8
71.13748	1.7
79.05501	6.7
81.07056	13.9
83.04984	2.2
83.08604	2.9
83.77225	0.8
84.74981	0.8
85.06547	5.6
86.32053	0.8
91.05471	10.3
93.06481	1.6
93.07046	26.3
95.04985	1.1
95.08607	26.6
97.06499	1.0
97.10166	1.0
99.08075	1.1
100.12865	0.9
105.07031	21.5
107.08598	50.5
109.06513	2.6
109.10149	11.6
111.08064	1.6
117.06980	1.2
119.08583	35.7
121.10143	9.4
123.08087	6.4
123.11718	5.9
131.08540	2.4
133.01834	0.9
133.10133	42.9
135.11694	100.0
137.09625	6.0
137.13258	0.9
145.10107	1.8
147.10509	1.9
147.11685	31.8
149.09564	1.2
149.13269	11.3
151.11177	14.7
161.13252	5.4
163.14812	17.1
165.12808	2.1
174.13998	1.1
177.64035	0.8
189.16383	97.1
190.16714	1.7
207.09697	2.3
207.14091	2.0
207.17448	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03928	0.5
54.49862	0.4
55.01861	0.9
55.05514	3.8
57.03450	0.5
57.07074	1.7
59.05014	0.8
67.05510	5.1
69.03436	1.2
69.07070	9.3
70.05554	1.4
71.04994	0.9
79.05499	2.6
81.07061	12.6
83.01345	1.0
83.04984	12.0
83.08625	1.4
85.02915	0.6
91.05475	6.2
93.07042	9.1
95.04962	1.8
95.08607	15.7
97.06532	3.1
97.10181	0.5
98.20863	0.5
99.04509	0.6
105.07033	12.1
107.08592	9.2
107.09303	0.5
109.06526	3.4
109.10162	5.6
111.04424	0.9
111.08076	1.1
111.11713	0.7
115.96432	1.5
116.97249	0.4
117.07021	0.5
119.07940	0.4
119.08588	8.9
121.06536	0.4
121.10155	4.0
122.10555	0.5
123.08069	100.0
123.11658	2.7
124.08366	0.9
125.05898	0.5
125.09633	0.5
129.07018	0.6
131.08539	0.7
133.10135	14.4
133.97430	0.7
135.08080	0.5
135.11679	3.5
137.09636	2.1
137.13258	5.5
145.10115	1.2
147.08002	1.1
147.10519	0.5
147.11679	9.1
149.09665	1.0
149.13271	4.4
151.07581	0.6
151.11198	7.0
161.13272	6.6
163.11162	0.6
163.14835	1.6
165.12762	2.0
171.11725	0.8
178.07822	0.4
179.14307	1.2
189.12781	1.6
189.16388	15.5
192.09334	2.2
196.90495	0.5
207.11700	4.1
207.13817	7.0
207.17439	48.7
208.17747	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1746
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03946	0.6
53.23691	0.5
55.01857	0.9
55.05513	6.1
57.07078	2.4
61.29665	0.5
67.05508	9.3
69.03433	2.3
69.07074	16.2
71.05016	1.0
71.08641	0.8
71.52380	0.6
79.05498	4.8
81.07063	21.0
83.04989	24.9
83.08625	3.2
84.94660	0.8
85.06532	1.1
91.05484	10.4
93.07051	12.1
95.04971	3.0
95.08614	23.5
97.06544	5.2
97.10155	1.4
98.96082	0.6
105.07037	17.1
107.08605	13.5
109.06541	6.7
109.10184	7.4
111.08087	1.6
111.11706	0.8
115.96453	12.4
116.97228	2.3
117.07029	0.8
119.08593	12.4
121.10159	5.8
121.97630	1.0
123.08078	91.6
123.11694	5.4
125.09645	0.7
129.07036	1.1
130.15695	0.6
131.08549	1.0
133.10144	21.0
133.97496	5.0
135.11678	3.1
137.09601	2.3
137.13251	5.4
140.89301	0.5
145.10130	1.1
147.08134	0.8
147.11696	14.9
149.09625	2.4
149.13258	5.1
151.07567	1.2
151.11200	12.6
156.99115	1.3
161.13263	6.2
163.14838	2.1
164.11964	1.5
165.12775	5.8
165.99103	0.7
179.65649	0.6
183.97647	1.0
184.00188	1.9
189.12813	1.0
189.16389	19.9
192.09306	0.7
207.06572	1.1
207.11749	2.2
207.13864	3.7
207.17458	100.0
208.17761	1.0
222.73206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03921	0.9
55.01870	1.2
55.05515	5.6
57.07082	2.0
59.05003	0.8
62.57565	0.7
65.60452	0.8
67.05516	6.4
69.03448	1.6
69.07072	11.8
71.05019	1.3
71.52419	1.4
79.05495	4.3
81.03453	0.9
81.07063	16.6
81.07533	1.2
83.01363	1.7
83.04988	25.9
83.08633	2.8
85.02924	0.9
91.05482	8.3
93.07050	11.7
95.04992	2.6
95.08611	20.8
95.09174	1.4
97.06536	6.0
97.10178	1.8
105.07038	15.4
107.08598	10.9
108.05727	0.8
109.06536	6.3
109.10162	6.6
111.04446	1.0
111.08099	2.1
111.11768	1.1
115.96462	5.9
116.97262	1.7
117.07009	1.0
119.08603	13.1
121.10133	5.0
123.08078	100.0
123.11695	3.5
124.08510	0.8
125.09641	1.5
129.07039	1.6
131.08566	0.7
133.10141	20.1
133.97490	2.2
135.11716	4.6
137.09625	2.5
137.13278	7.0
143.08560	0.9
145.10092	1.3
147.08043	1.5
147.11702	15.0
149.09688	0.9
149.13289	5.0
151.11176	9.2
161.13271	9.7
163.14832	1.7
165.12799	3.7
171.11659	1.1
179.08463	0.8
179.14276	1.8
180.01419	0.8
184.00182	1.3
189.12723	2.9
189.16409	16.3
192.09364	3.0
207.11731	7.8
207.13860	11.3
207.17450	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03943	1.3
55.01859	1.8
55.05514	7.8
57.03442	1.2
57.07069	1.4
59.04991	2.5
65.03944	2.2
66.72034	1.0
67.05517	6.4
67.08090	0.9
69.03437	17.7
69.07064	3.4
71.04988	3.5
77.03912	1.3
77.74870	1.0
79.05495	7.1
81.03415	1.1
81.07065	7.4
83.05005	6.0
83.08607	1.5
83.73194	1.1
85.02908	5.5
91.05492	29.3
93.07052	14.5
95.04980	2.9
95.08625	10.0
97.06522	2.8
98.21544	3.4
98.97575	3.5
103.05455	1.7
105.07040	25.4
105.08115	1.2
107.04928	6.0
107.08607	18.5
109.06533	11.9
109.10174	4.5
111.08099	1.6
117.07042	2.7
119.04964	19.3
119.08607	18.6
120.08121	1.2
121.06531	20.8
121.08415	1.8
121.10145	14.8
123.08096	22.2
123.11728	4.1
128.06215	1.2
129.07014	2.5
130.07779	1.7
131.08563	3.8
132.02089	1.9
133.06532	13.2
133.10156	4.9
135.08070	6.6
135.11688	3.6
137.05994	1.5
137.09642	12.6
137.13266	1.6
139.07518	1.1
143.08545	3.5
145.06523	1.3
145.10126	4.1
146.03699	1.3
147.04424	18.0
147.08078	7.9
147.11703	14.5
149.02386	3.0
149.09636	100.0
151.07579	4.8
153.09053	1.3
156.09355	2.9
157.03996	1.5
158.99733	1.6
159.11694	2.1
161.05975	8.4
161.09627	7.0
161.13264	14.9
163.11201	35.1
163.12563	2.1
164.04753	1.6
165.09062	1.9
165.12778	9.6
165.96591	1.2
171.11662	8.0
174.10443	3.1
175.03935	23.4
178.52174	1.0
179.07059	2.1
189.09105	4.6
189.12766	25.9
192.04196	2.4
207.06551	14.4
207.13834	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03933	2.9
53.28563	1.0
55.01846	1.1
55.05513	13.8
56.96566	1.2
57.03424	3.2
57.07058	2.1
59.04987	3.2
65.03949	1.0
67.05515	6.5
69.03435	29.7
69.07066	3.8
69.58938	4.2
69.59348	1.8
71.04984	2.0
79.05498	8.4
80.94963	1.1
81.03419	3.2
81.07058	10.6
83.04987	2.6
83.08614	1.9
85.02924	1.3
87.51928	0.9
91.05482	13.7
93.07035	11.5
95.04974	5.6
95.08601	11.9
97.06503	2.2
98.97585	10.8
99.04437	1.8
103.05466	1.8
105.03399	2.3
105.07031	17.8
107.04952	4.0
107.08601	11.9
109.06519	8.2
109.10175	6.4
111.08089	1.5
115.05431	2.2
115.96450	1.6
116.98595	3.0
117.07017	2.4
119.01828	1.3
119.04930	3.6
119.08582	13.7
119.23567	0.9
120.09377	1.1
121.06509	67.3
121.10152	7.1
121.97606	1.8
123.04485	2.1
123.08069	18.9
123.11716	1.9
128.02299	1.3
128.06218	1.8
129.06999	3.5
130.07777	1.5
131.08582	2.2
131.09737	1.1
133.02901	1.3
133.06494	38.1
133.10141	7.4
135.08061	11.0
135.11713	5.0
136.05180	1.9
137.05965	4.9
137.09586	6.4
137.13228	1.1
142.59621	1.3
143.08575	2.7
145.06387	1.0
145.10150	6.1
145.86581	1.1
147.04401	4.2
147.08084	5.4
147.09094	1.1
147.11714	9.8
148.08829	1.5
149.02309	3.0
149.05945	2.1
149.09621	6.7
151.03915	29.2
151.07516	9.4
156.09314	1.3
158.99651	5.0
160.05212	1.8
161.05995	12.0
161.09616	8.8
161.13248	4.1
163.03915	3.3
163.07530	3.7
163.11185	100.0
164.04668	3.2
165.05492	10.4
165.06757	1.4
165.09106	3.7
165.12767	4.2
171.11603	1.7
174.06818	1.4
177.00748	2.3
177.05435	2.3
178.06264	9.0
179.06943	2.7
183.97676	1.3
186.07237	1.3
187.06374	1.0
187.08070	2.8
189.02002	1.2
189.09119	7.6
189.12737	13.3
189.16394	3.5
192.04146	2.0
192.07809	1.6
195.07748	2.3
206.58490	1.1
207.02934	1.8
207.06581	20.3
207.10172	79.4
207.13779	53.8
207.17075	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03941	2.5
55.01860	3.3
55.05513	9.9
57.03423	4.9
57.07058	3.9
57.81580	1.7
67.05503	10.0
69.03429	26.2
69.07063	11.6
71.04990	2.4
71.22969	2.2
71.23302	1.8
73.02910	1.8
79.05482	12.6
81.03424	2.6
81.07055	25.1
83.04975	23.9
83.08624	2.9
85.02887	1.6
85.06540	3.4
89.25278	1.7
91.05485	16.7
92.13617	1.5
93.07049	18.5
95.04964	7.2
95.08608	18.3
97.06512	4.0
101.88522	1.5
105.07028	32.5
107.04946	2.3
107.08595	24.4
109.06521	57.2
109.07265	3.8
109.10149	6.6
111.08073	1.8
117.07068	1.7
119.04925	5.8
119.07810	2.5
119.08585	34.4
121.06506	4.4
121.10144	18.8
123.08073	85.4
123.11664	5.7
123.29337	1.9
128.06186	2.3
131.08553	3.5
133.06453	6.9
133.10106	13.5
135.08034	8.0
135.11649	6.3
137.09613	4.8
139.07584	1.6
143.08502	3.2
145.10110	3.8
147.04433	2.4
147.08054	9.5
147.11694	27.8
149.09616	14.6
151.07538	8.9
151.11157	2.2
156.09288	3.9
159.11711	4.7
161.06013	4.1
161.09581	5.3
161.13278	21.3
163.11176	3.4
165.12718	8.2
171.11659	5.8
175.03889	4.1
177.12775	4.7
183.33975	1.5
189.12733	18.9
207.06490	1.9
207.10403	3.4
207.13802	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03931	0.8
55.01877	0.8
55.05512	5.4
57.03445	0.7
57.07081	4.5
59.04989	0.9
65.03938	1.8
67.05505	25.1
69.03424	3.9
69.07054	2.1
71.05000	2.3
71.05375	1.4
71.05723	0.7
77.03899	0.7
77.72182	0.6
79.05502	4.6
81.07061	4.1
83.04995	2.0
83.08593	0.9
85.06543	10.2
91.05482	12.9
93.07047	10.5
94.91018	0.7
95.04977	3.2
95.08607	100.0
97.06556	1.2
101.32381	0.7
103.05431	0.9
105.07024	10.9
107.05001	0.8
107.08591	18.2
109.06528	4.6
109.10148	2.1
111.08083	1.2
113.05993	5.3
117.07008	1.3
117.74271	0.7
119.04935	7.4
119.08575	21.4
121.06489	2.3
121.08592	0.6
121.10144	13.8
123.08064	46.5
123.11703	5.8
125.09616	0.8
129.07051	1.5
131.08595	3.8
133.06519	1.9
133.10138	4.1
135.08057	1.6
135.11684	5.5
137.09628	5.3
137.13190	1.0
139.07533	2.1
143.08553	1.2
145.10123	2.4
146.03650	1.2
147.04410	5.8
147.08032	4.5
147.11696	11.3
149.09622	46.8
151.07550	2.0
151.14816	3.2
156.09344	2.2
157.03958	1.0
159.08122	0.8
159.11760	0.9
160.08900	0.7
161.05956	3.6
161.09599	2.8
161.13251	16.3
163.11154	2.4
165.09138	1.6
165.11427	0.9
165.12772	11.4
171.11688	3.4
174.10481	3.4
174.11969	0.6
175.03909	7.6
179.14275	2.6
189.09148	2.0
189.12744	19.2
192.04202	1.3
207.06526	4.9
207.13794	31.1
207.15759	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.01606	0.8
51.02379	0.9
53.03949	6.9
55.01873	1.4
55.05516	7.9
57.07084	0.6
65.03940	1.4
67.05509	29.7
69.03439	1.6
69.07076	7.7
70.17255	2.0
71.04993	2.3
72.79681	0.6
73.06567	1.9
77.03931	1.5
79.05498	54.6
80.05853	0.6
80.12718	0.5
81.03422	2.1
81.07060	26.0
81.77503	0.5
83.04986	3.9
83.08649	3.6
85.02896	0.8
85.06551	2.6
91.05488	45.9
93.07050	100.0
95.04977	12.6
95.08066	0.8
95.08614	10.5
97.06526	1.8
97.10186	1.7
99.04495	0.6
99.08083	1.0
105.04530	3.8
105.07040	29.1
107.04956	1.1
107.08595	11.9
109.06516	5.0
109.10174	1.6
111.08093	1.0
115.05424	0.6
115.96443	2.7
116.97259	0.6
117.07013	5.4
119.08592	15.4
121.06526	2.8
121.10146	3.8
121.97563	0.9
123.08075	4.0
127.07578	1.7
128.06201	1.3
129.07011	11.3
131.08546	0.8
133.06493	0.7
133.10153	5.6
133.97466	1.1
135.08125	0.9
135.11685	0.7
137.09599	0.7
143.08540	6.0
145.10121	8.0
147.08051	2.2
147.11694	51.3
149.09659	0.8
151.07567	0.8
156.09407	0.6
159.11655	0.6
161.09644	4.3
161.13264	10.3
165.12862	0.6
171.11696	26.2
178.29955	0.5
182.73898	0.5
183.97664	1.0
184.00165	0.7
189.12744	11.0
189.16469	0.5
198.36084	0.5
207.13809	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1018
Annotation	Aristelegone C
Peak:m/z	Relative Intensity
50.62601	1.3
53.03935	3.2
55.01852	6.0
55.05516	7.5
56.07127	1.4
56.96565	3.2
57.03418	4.2
57.07057	1.8
59.05008	1.4
61.02908	2.7
65.03932	2.0
65.92608	2.2
67.05518	18.9
68.99771	2.0
69.03436	12.9
69.07039	4.0
69.64781	4.1
69.65193	4.8
69.82629	1.3
71.01323	1.8
71.04969	4.7
73.02905	2.4
79.05492	17.1
80.94951	4.3
81.03394	6.4
81.07054	10.5
83.01305	2.5
83.04962	5.4
84.08149	45.2
85.02924	6.7
85.06521	3.1
87.04469	3.3
91.05486	71.3
93.07049	11.7
95.01315	2.6
95.04979	10.2
95.08604	11.9
97.06510	2.0
98.97565	2.0
99.00789	2.3
99.04439	1.8
101.02354	5.0
103.03918	2.2
103.05477	6.6
105.03368	1.8
105.07043	65.0
107.04963	8.7
107.08602	11.0
109.06524	9.0
109.10126	6.1
110.09590	2.2
111.00797	1.7
111.08066	2.3
111.21194	1.5
115.05466	9.9
117.07022	13.1
118.04234	1.4
119.04150	1.6
119.04960	35.3
119.08592	82.3
119.97089	1.5
120.08074	4.4
121.02827	1.6
121.06476	6.4
121.08409	1.4
121.10148	6.6
121.97556	6.5
123.04441	28.2
123.08082	14.0
123.11707	2.3
124.93826	2.2
124.99185	1.8
125.05933	3.5
128.06233	15.5
129.07021	29.0
131.03329	2.2
131.04883	4.9
131.08513	4.9
133.06512	11.5
133.07390	2.8
133.10143	20.4
135.08040	2.7
135.11656	1.6
136.05145	2.6
137.05943	6.5
137.09645	9.6
139.03923	2.0
141.05446	3.0
142.94882	3.8
143.00113	2.5
143.03429	2.1
143.04964	6.9
143.07535	1.9
143.08568	31.7
145.06508	6.9
145.10068	4.7
146.03581	2.1
146.07201	1.7
147.02908	3.7
147.04424	39.7
147.08060	100.0
147.11678	9.6
149.02345	3.5
149.05930	2.5
149.09630	7.0
150.12787	2.4
151.03871	3.1
151.07500	5.6
153.07019	2.6
156.09384	2.0
157.03926	1.6
157.06549	1.4
159.07933	2.1
159.11757	1.6
160.95917	2.7
161.01205	2.0
161.06001	25.9
161.08368	1.5
161.09653	25.6
161.13232	7.4
162.05458	1.6
163.03839	2.3
163.07535	3.1
163.11140	3.9
164.04634	5.5
164.14307	1.6
165.05457	6.2
165.07816	1.7
165.09114	14.8
165.12762	3.8
165.96480	6.0
171.04384	4.5
171.08002	4.7
171.11667	2.6
174.03178	2.6
175.02521	2.1
175.03928	20.8
177.05463	1.8
179.05518	1.9
179.06975	10.2
179.08459	2.7
179.10635	5.8
183.97580	6.8
184.04443	1.9
189.05275	7.7
189.09106	20.0
189.12766	10.7
192.04123	6.0
195.12480	1.4
207.02908	3.1
207.06358	32.2
207.10107	48.6
207.13731	24.5
207.18634	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	207.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01874	7.6
55.05502	1.2
56.96568	80.3
57.03442	30.0
58.03752	1.4
58.83058	1.1
59.00454	1.2
59.05006	4.0
60.95846	1.8
61.02931	28.4
61.33408	1.2
67.05492	1.3
68.98279	1.1
69.03439	20.8
69.52007	8.7
70.72989	1.5
70.98129	8.0
71.01357	5.5
71.05004	13.2
71.95259	5.2
72.96056	3.0
73.02924	29.3
74.00254	2.0
74.97617	2.0
75.01115	1.3
75.04475	1.9
78.72569	1.0
80.94987	2.2
81.01050	3.3
81.03424	16.4
82.01461	3.4
82.06592	1.3
83.00771	2.0
83.01333	1.9
83.04992	1.8
84.96030	9.8
85.02910	35.5
86.03240	1.6
86.03703	12.0
87.01031	1.5
87.04475	7.9
88.99161	2.1
89.00788	7.8
89.06020	1.2
90.01575	7.4
91.00497	1.3
91.02349	1.7
91.05475	1.6
95.00790	2.3
95.01348	1.5
95.05011	1.5
96.01562	1.3
97.01428	2.5
97.02895	18.7
97.96800	8.0
98.01315	5.0
98.21497	1.9
98.97592	100.0
99.02076	3.1
99.02969	16.0
99.04437	7.8
100.02480	5.3
100.05233	5.7
100.99156	12.5
101.00813	8.2
101.02391	5.6
102.01540	3.6
102.96934	1.7
103.00593	3.2
103.02335	2.1
103.03941	1.6
104.01304	7.3
105.02078	2.5
105.07024	2.2
108.01529	4.8
109.02318	2.3
109.02921	12.4
110.01278	16.3
110.03120	2.2
110.97581	26.1
111.02081	3.6
112.01023	2.9
112.99136	4.8
113.00939	2.0
113.01809	10.0
113.02412	1.5
114.02656	1.3
115.00645	3.4
115.02423	7.8
115.03947	3.8
115.97842	2.6
116.01269	3.8
116.51511	1.3
116.98624	29.7
117.02070	9.5
117.04003	26.2
118.01048	5.1
119.00219	1.9
119.01832	24.0
119.08631	1.5
120.02005	2.7
121.01620	4.7
121.51740	1.7
121.97568	1.5
122.02353	5.2
122.51422	1.3
123.02036	4.5
124.01043	1.4
124.95495	7.1
124.99139	15.7
125.00870	4.8
125.01731	2.5
126.02571	8.1
126.04002	1.2
126.97049	1.6
127.03953	10.7
128.02319	13.6
128.98604	19.2
129.02061	2.5
131.00189	6.7
131.01817	7.6
132.02556	1.8
133.00729	1.4
133.01643	5.1
133.03468	1.9
134.02315	2.1
134.99718	6.0
135.02113	1.5
135.03142	3.6
135.05058	9.0
137.01808	3.7
137.02837	3.4
138.02580	5.2
138.52267	1.6
139.01590	2.6
140.02342	6.7
140.05540	1.7
140.98616	4.8
141.01213	2.7
141.03108	3.7
141.05472	1.5
141.51495	1.4
141.53326	1.5
142.03571	2.5
142.96518	7.6
143.00182	53.7
143.01852	19.4
143.03555	4.8
143.08559	1.4
144.02611	6.0
144.98157	4.9
145.01616	3.6
145.03430	3.9
145.04944	1.9
146.02333	9.1
146.99649	11.8
147.01282	5.0
147.03123	10.4
148.02068	2.7
148.03773	1.5
149.01234	2.8
150.01750	2.9
150.03618	1.6
150.51910	1.7
150.99110	2.0
152.02316	8.1
153.03094	8.3
154.02072	4.1
154.03862	2.5
155.00172	3.1
155.02856	4.4
156.01784	2.7
156.03462	2.7
156.05086	1.7
157.01576	2.6
157.03552	2.0
158.02347	1.7
158.99672	16.7
159.03052	6.7
160.03949	1.8
160.97600	4.4
161.01245	41.6
161.02957	57.0
162.03639	10.7
162.99150	4.5
163.02676	4.6
165.00726	13.0
165.96577	2.0
166.02036	2.4
166.03458	13.6
167.02913	1.9
168.03664	5.3
170.03352	3.6
170.99644	11.3
171.04181	5.3
173.01259	6.1
173.02873	3.9
174.76559	1.4
174.99155	4.0
175.02673	3.7
175.04424	1.6
176.03336	2.1
177.00800	6.8
177.02596	2.1
177.04137	9.0
179.02299	7.9
179.04013	4.9
179.05450	2.8
182.03358	7.0
182.99689	3.8
183.01785	4.3
183.04262	1.7
183.97621	1.5
184.02899	4.2
184.04558	88.7
185.01283	1.6
185.02959	3.6
185.04828	1.6
186.03250	1.6
186.04733	5.5
186.99275	1.5
187.00771	1.3
188.97107	1.7
189.00749	16.4
189.02451	2.7
189.04175	4.7
191.02237	2.8
191.03917	9.0
192.04764	1.4
193.00279	2.5
193.02020	1.2
195.01639	1.5
197.01245	1.4
198.03006	2.4
198.04706	9.2
198.06273	1.6
200.04449	4.7
201.00754	9.5
202.05667	3.5
203.02299	2.0
204.02686	1.4
205.00215	2.3
207.01848	11.2
207.05046	15.8
207.10503	3.2
214.98666	2.1
215.02277	2.3
216.05846	3.5
219.01868	7.9
223.01163	1.7
225.02757	2.2
227.02319	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48470	1.1
56.96572	5.8
70.24130	2.5
70.24529	2.6
70.82939	1.3
80.15038	1.0
82.99847	4.8
95.64224	1.1
98.97598	6.8
101.00283	2.1
101.00890	28.9
103.64687	1.2
116.98634	4.2
119.01933	48.9
120.01988	1.9
121.01672	3.8
122.02027	1.4
124.02444	11.7
137.02986	7.0
142.03511	100.0
146.91896	3.6
148.05542	1.3
150.02719	1.3
160.04565	22.6
164.98590	2.8
165.05121	2.6
174.97601	1.4
182.99681	11.1
183.01154	2.3
184.04521	1.3
201.00717	9.8
201.02455	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	206.045
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
55.35328	0.2
56.96571	1.0
62.75827	0.2
68.97540	0.2
70.46186	0.2
70.75087	0.3
70.75444	0.4
81.07030	0.2
84.21606	0.2
85.02909	0.4
91.91806	0.3
92.24091	0.2
98.09718	0.3
98.97616	0.4
104.04968	0.3
105.03411	0.7
115.89053	0.2
127.01851	0.2
129.03923	0.2
132.04471	2.7
133.02893	0.3
144.10202	0.5
150.05533	0.9
160.03929	2.2
163.03888	0.4
164.98674	0.4
176.20154	0.2
176.83591	0.2
178.05008	100.0
179.05373	0.7
182.99672	0.8
201.00706	0.7
206.04504	51.8
208.27359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.25019	0.5
53.03936	1.2
53.24425	0.5
55.05521	3.7
57.07076	3.7
67.05504	6.6
69.07069	4.5
69.54572	3.8
78.95288	0.7
79.05489	6.3
81.07060	25.4
83.08622	1.5
89.94116	0.5
90.01096	0.6
91.05502	3.0
93.07046	19.3
95.04975	0.8
95.08611	12.2
95.70433	0.6
97.02892	1.7
97.10169	1.6
98.97543	1.0
99.04456	0.6
105.07066	1.8
107.08598	18.9
109.02883	1.3
109.06526	0.9
109.10167	11.7
115.05427	0.6
117.07043	0.7
119.08565	2.1
119.97938	0.8
121.02869	0.7
121.06506	1.1
121.10162	5.5
123.11713	100.0
124.12032	0.7
127.80965	0.6
128.06201	0.6
131.08578	1.5
133.10150	0.6
135.11699	51.3
145.10136	2.0
147.11644	1.2
149.02347	7.0
149.09630	2.4
149.12190	1.1
149.13274	11.1
157.46519	0.6
159.11700	0.9
161.13087	0.6
163.14862	1.1
163.96837	1.3
181.97911	1.2
187.14764	0.7
205.04819	0.7
205.08694	0.7
205.12271	1.4
205.14204	0.9
205.15926	3.7
205.19576	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	205.1954
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.62485	0.4
53.03938	0.7
55.05516	4.2
57.07087	3.5
66.01782	0.4
67.05238	0.4
67.05515	5.4
69.07076	5.2
69.33472	0.9
69.33881	2.9
70.83748	0.4
79.05495	5.1
81.03391	0.6
81.07069	22.5
83.08640	1.2
85.02889	0.7
91.05462	2.5
93.07057	16.5
95.04979	0.7
95.08624	11.1
97.02901	0.8
97.10181	1.5
98.20792	1.0
98.97586	0.6
105.07035	1.8
107.08606	18.8
109.06515	1.0
109.10170	12.9
116.98618	0.5
117.07027	0.8
119.08514	0.9
121.10155	6.2
123.11723	100.0
124.12038	1.1
131.08598	0.9
135.11710	50.3
145.06516	0.9
145.10156	1.0
147.11655	0.5
149.02419	2.8
149.09641	2.3
149.13290	9.3
159.11694	0.7
161.99374	0.4
163.14873	1.0
163.96951	0.6
181.97911	0.6
205.12285	0.8
205.15993	2.3
205.19569	8.5
217.21005	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03940	2.2
55.05513	8.8
57.07080	7.4
65.03941	1.6
67.05502	8.0
69.07072	16.7
71.08618	1.3
71.13444	1.7
79.05496	9.0
81.07059	49.3
83.08620	5.0
91.04992	0.9
91.05473	4.8
93.07047	39.3
95.08614	23.4
97.02889	2.8
97.10149	5.7
105.04556	0.9
105.07037	4.6
107.08601	26.6
109.02898	1.8
109.10163	22.8
109.16393	0.8
111.11723	3.0
119.08602	1.5
121.02869	2.4
121.04028	1.1
121.10147	100.0
123.11702	10.6
135.11702	19.9
137.13245	1.4
140.86642	0.9
146.67216	0.8
149.02350	27.5
149.13271	34.5
163.14850	4.4
190.04950	0.9
205.12257	1.7
205.15895	1.8
205.19534	29.3
225.30103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03942	0.6
55.05264	0.5
55.05510	5.1
56.21213	0.3
57.07071	1.6
63.01174	0.4
67.05507	6.0
69.07072	10.2
69.15752	4.2
79.05071	0.5
79.05496	7.0
81.07060	39.7
83.08617	2.5
91.05476	3.4
91.31703	0.4
93.07047	34.4
95.07993	0.7
95.08610	15.6
97.10165	2.3
99.03076	0.4
105.07026	3.1
107.08594	14.7
109.10159	11.2
111.11736	0.8
119.08569	1.0
121.10147	100.0
122.10478	0.8
123.08113	0.4
123.11711	5.7
125.13305	0.6
127.84114	0.4
135.11699	9.6
149.02325	2.4
149.13260	21.9
163.14804	1.8
205.19530	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	205.1951
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03938	1.3
54.77018	0.6
55.05512	6.7
57.07064	1.9
67.05500	5.5
69.07070	11.0
70.54659	1.4
71.08619	0.8
79.05495	10.1
81.07059	46.5
83.08643	3.8
91.05473	5.3
93.07044	39.9
95.05028	1.0
95.08610	18.1
97.10154	2.8
105.07021	3.4
107.08599	20.8
109.10159	15.3
111.11717	1.4
121.10146	100.0
122.10467	0.7
123.11703	7.7
135.11696	10.3
137.13332	0.6
144.44757	0.6
149.13260	27.3
163.14853	2.3
175.18909	0.7
190.40903	0.6
194.88892	0.7
205.19525	23.4
205.57259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03938	1.2
55.05516	3.6
57.07070	1.3
67.05513	4.1
69.06725	0.8
69.07072	8.4
69.25952	5.2
71.08624	0.9
78.00034	0.5
79.05499	8.4
81.07063	41.1
83.08621	2.8
91.05486	3.5
93.07050	36.2
95.08614	15.3
97.10175	2.5
98.21474	1.1
105.07031	2.3
107.08597	14.3
109.10168	10.4
111.11717	1.0
121.10151	100.0
123.11716	6.0
135.11710	11.2
137.13277	0.8
149.02373	1.0
149.13278	21.4
163.14850	1.0
179.58302	0.5
205.19533	15.2
217.92310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03951	0.7
55.05518	4.8
57.07069	1.4
67.05515	5.4
69.06725	1.0
69.07071	10.5
71.08620	0.8
79.05493	7.3
81.07063	43.6
83.08620	2.3
91.05490	4.3
93.07053	35.7
95.04955	0.9
95.08611	16.0
97.10192	2.6
105.07039	3.0
107.08601	16.9
109.10166	12.0
111.11768	0.9
119.08580	0.7
121.10152	100.0
122.10526	0.7
123.11700	4.6
135.11702	9.9
149.13268	23.8
163.14790	1.6
202.42128	0.6
205.19525	14.0
229.02048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03938	1.2
55.05514	12.1
57.07079	4.3
62.07416	0.6
67.05505	9.8
68.78239	0.6
69.07070	16.8
70.68658	1.7
71.08644	1.3
79.05493	9.5
81.06583	1.3
81.07059	19.7
83.08620	18.8
91.05471	5.7
93.07048	41.7
95.08610	21.0
97.10182	5.1
105.07011	4.5
107.08598	52.9
109.10165	28.4
111.11694	1.5
121.10150	38.8
123.11710	14.7
125.13239	0.8
135.11699	21.0
149.02338	1.5
149.13261	100.0
163.14847	5.8
167.74425	0.6
205.19528	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	205.1952
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03946	0.9
55.05514	5.2
56.06660	0.5
57.07065	1.7
67.05504	3.6
69.06727	0.9
69.07072	11.1
69.89916	0.4
71.08624	0.8
71.32708	0.5
71.33065	0.8
73.26585	0.5
77.03909	0.4
78.73514	0.5
79.05495	6.7
80.71871	0.4
81.07057	42.2
83.08610	2.7
89.07766	0.4
90.38455	0.4
90.96881	0.5
91.05482	3.4
93.07043	34.6
95.08609	15.9
97.10191	3.2
105.07010	3.1
107.07877	0.9
107.08597	17.2
109.10155	13.0
109.11314	0.5
111.11744	1.6
119.08623	0.8
120.31571	0.5
121.10144	100.0
122.10485	1.1
123.11726	6.6
133.07649	0.5
135.11696	10.6
137.13281	0.5
149.13266	29.1
150.13579	0.5
162.23866	0.5
163.14890	1.6
199.74817	0.5
205.19528	18.5
228.31903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
55.05518	3.4
57.07066	2.8
61.42610	0.7
67.05514	5.0
69.07082	4.3
70.68681	1.7
79.05493	5.0
81.07063	20.2
83.08614	0.9
91.05497	1.1
92.26529	0.7
93.07051	13.7
95.08610	9.0
97.10175	1.0
107.08600	16.6
109.10163	10.9
121.10139	3.1
123.11716	100.0
135.11703	49.7
149.02344	1.3
149.13281	10.0
150.65996	0.8
205.19545	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	205.1225
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02382	0.6
53.03946	2.7
55.01876	1.0
55.05500	1.4
57.07079	2.4
58.99592	0.5
60.04518	0.7
62.37236	0.4
65.03930	1.1
67.05500	1.0
69.03436	2.1
69.07075	1.0
70.93627	1.1
71.05013	0.6
77.03905	0.8
78.95257	0.6
79.05503	2.1
81.03426	1.2
81.07051	3.6
83.04987	1.4
85.02885	2.3
86.56221	0.4
88.40408	0.5
89.88119	0.4
91.04908	0.9
91.05479	10.9
91.06020	0.9
93.07047	45.1
95.04981	2.6
95.08630	1.3
97.02892	3.6
97.06576	0.8
98.97559	0.5
99.04469	2.0
100.11253	0.9
101.11610	0.7
103.05460	0.7
105.04559	1.2
105.07034	6.5
107.04961	0.9
107.08612	2.4
109.02898	2.2
109.06509	3.1
109.10168	1.0
115.05449	1.0
117.07030	5.0
119.08593	4.5
119.97891	0.8
121.02881	1.7
121.06511	100.0
121.10153	1.6
122.06799	0.7
123.08103	0.6
127.03924	1.2
128.06189	0.5
129.07007	2.2
130.07780	2.1
131.08571	4.5
133.10153	1.1
135.04523	0.5
135.08052	1.6
135.11674	1.2
142.07732	0.6
143.08546	1.4
144.09306	3.4
145.06491	2.3
145.10130	21.3
146.06036	0.9
146.10889	0.6
147.11754	1.3
149.02353	15.0
149.03519	1.0
149.05992	0.8
149.09642	0.9
158.96333	0.6
159.08063	1.5
159.11700	16.6
161.09616	1.2
161.13268	1.1
162.10396	0.5
163.07550	0.8
163.11186	4.5
163.96880	1.3
169.10242	0.8
172.08788	1.1
173.06027	1.7
177.09094	0.6
177.12737	3.0
181.97919	1.9
187.07559	0.9
187.11185	9.2
187.14845	1.1
188.06941	0.7
188.08369	0.8
197.35016	0.5
205.05008	1.2
205.08604	1.6
205.12260	38.5
205.15901	1.7
205.19766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.56757	0.6
53.03967	0.7
55.05513	6.0
57.07069	1.1
65.03941	0.8
67.05179	1.1
67.05510	14.0
69.07069	7.3
70.85806	1.8
79.05492	5.9
81.07060	27.3
81.07530	1.8
83.08620	2.5
91.05477	8.3
92.74126	0.7
93.07050	12.3
95.08612	61.2
95.20217	0.8
97.10159	0.9
100.48484	0.8
101.42426	0.7
105.07039	32.8
107.08601	15.8
109.10161	32.2
109.10921	0.8
117.07022	1.0
119.08591	39.1
121.10149	17.5
123.11720	14.3
131.08582	1.6
133.10139	20.1
135.11671	3.7
145.10190	3.8
145.11150	0.8
147.11697	49.2
159.11710	1.8
160.12492	2.6
161.13261	14.3
173.13271	0.8
175.14835	5.0
188.15596	1.1
191.10030	0.8
191.37135	0.7
203.17969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1798
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03950	0.7
55.05518	5.3
57.07074	1.4
57.47845	0.5
58.20221	0.6
65.03944	0.8
67.05515	14.2
69.07085	5.0
69.63565	3.3
79.05498	3.3
81.07069	29.8
83.08642	2.8
91.05489	5.8
93.07057	8.8
95.08620	58.6
97.10180	0.6
105.07043	29.0
107.08617	9.9
109.10172	24.4
109.10934	1.1
117.07014	0.8
119.08599	28.0
121.10173	12.8
123.11732	15.4
131.08614	1.3
133.10149	17.9
135.11723	2.6
145.10152	4.5
147.11703	47.4
149.96762	0.6
159.11739	0.7
160.12508	3.0
161.13290	8.9
173.13327	1.0
174.13995	0.7
175.14851	2.0
188.15640	2.4
203.17982	100.0
204.18384	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03943	2.2
53.26255	1.3
55.05503	6.2
57.07062	1.7
64.28647	1.4
65.03960	1.6
67.05505	11.8
69.06734	1.8
69.07073	20.0
69.87407	5.0
69.87817	3.5
79.05497	7.4
81.07062	45.1
83.08614	3.1
91.05477	19.9
93.07055	15.6
95.08609	39.8
105.07038	58.0
107.08595	21.4
109.10167	24.9
117.07072	3.2
119.08588	38.4
121.10162	16.9
123.11729	8.9
131.08578	4.6
133.09138	2.0
133.10135	36.4
135.11702	3.9
145.10159	6.7
147.11696	99.9
157.03624	1.4
159.11674	4.2
160.12451	4.6
161.13257	21.6
161.65393	1.5
175.14824	5.5
190.25719	1.5
191.17427	1.6
203.10591	2.8
203.17972	100.0
218.97502	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	alpha-Curcumene
Peak:m/z	Relative Intensity
53.03914	0.8
55.05519	5.7
57.07071	2.5
67.05177	1.0
67.05507	11.3
69.07070	20.4
71.08616	0.7
79.05491	7.6
81.07056	28.5
81.07532	1.5
83.08613	2.8
91.05478	17.4
91.06023	1.2
93.06483	1.0
93.07047	18.0
95.08611	24.1
96.91463	0.6
97.10168	0.9
102.93769	0.7
103.05476	0.8
105.07035	47.3
106.07401	0.8
107.08598	16.1
109.10159	25.4
117.07032	2.0
119.07706	1.0
119.08584	32.9
121.10141	15.3
123.11703	6.0
131.08557	4.7
133.10133	39.7
135.11729	2.7
145.10138	10.3
145.78877	0.6
147.11691	84.0
159.11708	4.2
160.12479	8.6
161.13258	20.0
175.14827	2.5
203.17961	100.0
204.18292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05499	3.4
67.05512	12.2
69.07078	6.8
77.03924	0.9
79.05505	6.2
81.06595	1.3
81.07062	20.7
83.08614	1.7
91.05486	8.7
91.99280	0.7
93.07053	18.0
95.08615	46.7
98.21534	1.8
105.07043	32.7
107.08601	25.4
109.10164	32.9
119.08591	27.6
121.09350	0.9
121.10162	13.0
123.11738	5.9
133.10146	19.5
135.11687	2.7
145.10143	1.7
147.11700	36.3
161.13280	15.1
161.22617	0.7
175.14861	9.9
203.17972	100.0
204.18266	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.94294	0.8
53.03957	2.1
54.49076	0.7
55.05506	7.9
56.30540	0.8
67.05506	17.8
69.07076	8.2
79.05495	6.8
81.07060	40.2
83.08613	5.5
91.05486	12.2
93.06483	1.2
93.07052	18.5
95.08613	60.1
97.10123	1.6
98.21512	3.1
105.07037	45.9
105.49092	0.8
107.08603	33.7
109.10161	50.1
117.06997	1.6
119.08586	47.2
121.10148	20.2
121.11034	1.0
123.11707	7.5
131.08606	1.5
133.09122	1.3
133.10139	32.0
135.11694	3.4
145.10158	3.3
147.11694	57.0
159.11664	1.3
160.12395	1.8
161.13274	17.1
161.14523	0.7
165.49934	0.9
166.46727	1.0
175.14804	8.3
193.25085	0.9
203.17967	100.0
204.18321	1.0
212.51260	0.7
212.53554	0.9
219.75894	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.17668	0.9
55.05518	6.2
57.07074	2.1
64.68201	1.0
67.05503	11.4
69.07070	16.7
69.51809	2.7
69.52234	3.3
79.05505	5.4
81.07062	27.5
83.08621	3.6
91.05485	13.4
93.06482	1.2
93.07048	14.8
95.08609	32.9
97.10135	1.2
103.05431	1.2
105.07035	50.7
107.08592	16.7
109.10156	32.0
109.10748	0.5
109.10926	1.0
117.06989	1.4
119.08582	43.2
121.10148	14.8
123.11725	7.9
131.08582	4.2
133.10136	37.8
135.11690	3.4
136.14937	0.8
145.10112	7.4
147.11690	82.1
159.11678	3.0
160.12453	5.0
161.12001	1.4
161.13269	19.6
175.14822	4.1
192.09709	1.0
203.17963	100.0
204.18352	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	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.63128	0.7
52.71040	0.7
53.03938	1.2
55.05511	6.5
62.04578	0.7
65.03941	0.8
67.05514	11.5
67.86124	0.7
69.06730	1.3
69.07077	16.7
69.27866	2.6
69.28291	5.1
72.38725	0.9
79.05499	8.1
79.64696	0.9
81.06593	1.8
81.07064	31.8
83.08612	3.4
91.05483	15.3
93.07050	16.2
95.08614	31.7
95.31462	0.8
105.07041	52.4
107.08605	20.6
109.10168	26.2
109.10933	1.1
114.00742	0.8
117.07000	2.6
117.94072	0.9
119.08590	41.6
121.10152	14.4
123.11707	8.3
131.08549	4.1
133.10139	36.0
135.11707	3.8
145.10120	6.8
147.11697	67.6
152.18811	0.8
159.11661	3.8
160.12517	6.2
161.13269	21.4
175.14864	5.8
190.96150	0.8
200.67052	0.8
203.17967	100.0
204.18265	0.8
208.99760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03931	0.8
54.61567	1.0
55.05511	7.8
57.07063	2.6
65.77474	0.7
66.58443	0.7
67.05177	1.2
67.05507	12.5
67.41286	0.7
69.07072	14.3
70.77233	2.5
71.35455	0.7
79.05497	7.0
81.07063	32.2
83.08599	3.3
88.98530	0.8
91.05477	16.2
92.69466	0.8
93.07051	15.3
95.08611	38.6
97.10151	1.0
102.95750	0.8
105.07036	68.6
107.08598	18.8
109.10162	31.7
117.07048	1.7
119.08585	43.4
121.10149	17.9
123.11723	7.8
129.30608	0.8
131.08554	3.6
133.10135	38.1
135.11693	4.7
143.63438	0.9
145.10117	6.9
147.11691	76.0
153.70753	0.8
159.11627	3.8
160.12502	4.7
161.13274	21.9
175.14859	6.6
203.17963	100.0
204.18335	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03947	1.0
55.05513	8.1
57.07062	2.2
67.05511	16.8
69.07072	10.7
69.74458	3.1
69.74868	2.5
79.05492	6.1
81.06593	1.7
81.07062	29.7
83.08613	2.9
91.05483	9.1
93.06560	1.4
93.07053	15.3
94.63265	1.0
95.08618	54.6
97.10155	1.9
105.07038	44.9
107.08594	17.9
109.10162	51.7
110.63744	0.9
117.06992	1.5
119.08588	55.1
121.10150	26.8
121.10798	0.7
123.11716	40.0
131.08554	2.8
133.10144	27.4
135.11713	3.3
145.10121	4.3
147.11699	72.7
159.11681	1.5
160.12488	3.6
161.13266	14.9
175.14877	2.9
191.99133	1.0
200.16997	1.0
203.07091	3.7
203.10812	2.4
203.17964	100.0
222.41116	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03933	1.8
55.05516	7.2
56.77551	1.0
57.07073	6.4
57.91904	1.1
59.02634	0.9
67.05510	13.5
69.07069	14.5
72.09341	1.0
79.05495	10.0
81.07063	31.6
83.08630	4.5
90.74736	1.0
91.05491	19.0
93.07047	15.0
95.08616	47.4
97.10155	1.2
105.07043	100.0
107.08608	23.0
109.10163	29.0
109.10802	0.6
109.10918	1.1
110.49953	1.1
117.07024	2.1
119.08591	50.3
121.10164	13.7
123.11709	5.9
131.08583	2.6
133.10147	44.5
135.11710	3.0
140.22105	1.1
145.10146	4.5
147.11699	82.7
159.11710	2.3
160.12456	2.0
161.13264	27.3
175.14833	13.1
203.17979	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.16840	1.0
53.85036	1.0
55.05511	7.6
57.07077	2.1
67.05512	15.0
68.11057	0.9
69.06796	0.8
69.07075	10.5
69.71720	5.8
79.05499	6.6
81.06590	2.0
81.07063	35.5
83.08613	4.1
91.05495	11.5
93.06491	1.2
93.07054	15.6
95.04966	0.9
95.08618	54.7
105.07042	63.8
107.08607	23.9
109.10167	35.2
113.38218	0.9
117.07078	1.8
119.08590	43.4
121.09328	1.7
121.10158	20.8
123.11721	6.9
131.08562	3.4
133.09131	1.5
133.10144	41.4
135.11699	4.1
145.10144	4.4
147.11702	73.4
159.11667	2.1
160.12537	2.3
161.13266	20.0
175.14832	9.9
190.76337	1.1
203.17972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03922	0.7
55.05515	8.0
57.07089	3.8
60.23272	0.6
67.05507	13.0
69.07068	11.8
77.03873	1.0
79.05499	6.2
81.07058	27.6
83.08617	3.7
91.05479	11.2
93.07048	12.9
95.08611	51.0
97.10162	0.7
105.07036	57.3
106.60531	0.7
107.07880	1.0
107.08601	16.2
109.10164	24.3
117.07028	1.1
119.08585	49.0
121.10151	21.1
122.67360	0.9
123.11715	6.9
131.08595	4.2
133.10136	40.9
135.11670	1.9
145.10106	5.0
146.10884	1.1
147.11696	86.1
151.14096	0.9
159.11697	2.7
160.12483	4.3
161.13261	18.7
173.13277	0.9
174.13982	1.3
175.14818	10.9
188.15509	1.1
189.88243	0.9
203.17963	100.0
204.18353	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03946	1.0
55.05518	5.4
57.07075	1.9
61.33042	0.6
67.05508	9.0
69.07069	13.0
70.77119	1.6
79.05496	6.7
81.00275	0.7
81.07058	31.4
83.08624	3.9
91.05487	8.6
93.07053	12.8
95.08611	40.4
97.10164	1.8
98.88030	0.7
105.07036	54.5
107.08604	16.1
109.10159	25.8
109.87656	0.7
117.07046	1.9
119.08586	39.5
121.10149	15.5
123.11719	5.7
131.08585	3.2
133.10138	32.7
135.11691	5.0
145.10146	5.0
147.11696	73.0
148.12282	1.1
159.11722	1.5
160.12473	2.9
161.13261	20.8
174.14169	0.9
175.14864	5.4
184.76608	0.8
186.32297	0.7
186.69218	0.8
203.17969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.0
55.05510	10.9
57.03432	5.9
57.07075	2.0
59.04983	2.6
60.04532	7.1
65.03938	4.8
67.05508	46.8
69.03423	5.0
69.07054	5.3
69.07388	1.4
69.54317	1.2
71.04984	4.3
71.53338	2.6
72.08136	1.6
73.02901	3.9
79.05498	61.4
81.03393	1.7
81.06601	1.6
81.07060	32.5
83.04980	9.6
83.08614	2.1
84.08128	2.5
85.02913	6.1
85.06534	1.8
86.09695	2.3
88.35225	1.4
91.05495	13.0
93.03389	6.0
93.07029	10.9
95.04956	3.1
95.08603	10.6
96.10300	1.5
97.02891	7.0
97.06529	4.3
97.10210	2.0
97.97979	1.5
98.85546	1.5
98.97572	4.2
99.04504	1.7
99.08105	1.7
101.05991	2.1
105.07034	19.7
107.04967	5.3
107.08598	100.0
109.03966	1.5
109.06512	3.4
109.10166	24.4
111.04445	63.9
111.08080	2.6
112.11243	4.0
115.05457	3.0
116.08116	1.5
117.06995	7.1
119.08588	13.0
120.96509	3.4
121.06556	1.7
121.10141	4.2
125.06017	3.4
125.09631	15.0
129.07022	4.1
129.09198	1.4
129.13864	3.4
130.06551	7.1
131.08556	3.1
133.06480	1.9
133.10135	12.2
135.08057	16.7
142.07735	2.1
143.01877	2.2
143.08563	2.1
145.01701	1.6
145.10144	3.4
147.04427	3.1
147.08054	2.9
147.11696	20.8
149.09612	2.7
153.09111	72.5
153.10373	3.5
155.04672	2.8
157.06448	3.5
157.07608	11.2
157.10211	3.2
158.06003	4.8
158.99644	1.9
160.05264	1.9
161.02980	2.3
161.05949	1.5
161.09634	4.1
161.13298	3.3
167.10661	2.5
171.10176	26.4
173.06863	2.0
174.07932	6.9
175.03984	2.1
175.07501	5.0
177.00671	2.3
179.97733	2.3
185.13217	3.4
188.08217	1.7
194.06999	4.1
202.56947	2.2
203.03410	3.6
203.06995	16.2
203.11784	20.6
203.14328	7.9
203.17987	18.2
204.08664	2.1
210.08707	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	2.1
59.39314	0.4
60.95860	0.6
64.12508	0.4
64.89365	0.4
69.97856	1.5
72.55489	0.5
82.99859	3.4
83.99920	1.3
92.42365	0.4
98.97016	0.7
98.97596	6.7
100.02466	0.5
100.97207	1.1
101.00889	37.0
101.97196	3.3
102.00946	13.8
102.96883	6.9
103.00639	1.3
116.98635	3.8
119.01930	100.0
119.98241	1.2
120.02013	32.8
120.96517	1.0
120.97928	2.9
121.01674	2.8
121.02433	0.7
124.02438	0.6
125.02576	2.0
131.01924	0.8
131.15392	0.4
133.03555	0.5
134.99702	1.0
137.02963	20.9
138.03061	6.1
138.98930	0.5
139.02431	0.6
142.03502	4.4
143.01855	1.4
143.03627	16.0
144.03230	1.0
157.03490	1.9
160.04617	0.9
161.02985	20.1
161.04668	3.8
162.03088	13.3
162.04439	0.8
163.02702	0.7
175.04575	0.9
179.00746	1.3
179.04022	25.3
180.04135	14.5
181.03909	0.9
184.04662	0.5
185.03033	0.5
185.04730	0.6
191.04112	0.5
202.05630	0.6
203.04015	1.0
203.05724	0.8
221.01639	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	202.9973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	4.4
58.99867	1.7
70.33927	2.7
77.00913	0.9
82.01450	59.5
82.99833	4.3
83.99914	1.3
95.29271	0.7
98.97594	18.2
100.02491	100.0
100.97203	1.8
101.00888	42.6
101.96632	0.7
101.97152	4.3
102.00957	14.8
102.96873	7.3
103.00623	1.3
105.73396	0.8
116.98639	8.9
118.03530	26.0
119.01930	99.9
119.98258	1.9
120.02016	31.0
120.41248	0.7
120.96517	1.0
120.97921	3.1
121.01682	2.7
123.04079	2.6
124.02466	0.8
124.97617	1.2
125.02570	2.7
134.99641	1.8
136.48387	5.2
137.02969	20.1
138.03043	6.3
138.95432	1.2
138.98895	1.0
142.03513	8.7
143.01897	2.1
143.03648	17.9
144.02191	0.9
144.03229	2.1
144.39861	0.8
145.48907	5.3
147.99139	2.3
156.96539	2.3
156.99759	2.1
157.03485	2.2
160.04588	2.4
161.02966	21.6
161.04665	3.9
162.03096	12.0
162.04401	1.2
163.84528	0.9
173.02939	0.9
175.04512	0.8
177.01021	1.2
179.00760	1.2
179.04018	25.5
179.98109	49.4
180.04120	17.0
185.04858	1.0
188.97423	1.1
190.99655	2.4
191.49509	2.7
197.99200	82.5
200.00095	2.8
200.49905	4.2
203.04060	1.1
221.01941	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	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
51.97895	0.6
52.80630	0.5
53.03939	0.8
55.05490	2.7
57.07074	4.0
57.74765	0.6
67.05499	5.8
69.07069	4.8
70.03838	2.6
71.08635	1.2
71.40659	0.6
79.05498	6.2
81.07062	9.9
83.08627	1.4
91.05482	9.8
92.49275	0.6
93.06490	0.8
93.07049	14.5
95.08609	19.1
103.05473	0.6
105.07032	20.7
107.08598	18.8
109.10170	4.9
115.05463	1.6
116.06252	1.2
117.07023	25.2
118.96751	4.1
119.08583	16.8
121.10156	8.5
127.03830	0.8
128.06133	1.2
129.07005	4.0
130.07838	4.8
131.08569	31.0
132.09360	0.6
133.10123	8.9
133.99089	1.3
135.11665	1.1
136.95444	1.0
142.07755	1.0
143.08537	4.8
144.09418	3.5
145.10127	65.8
146.10844	1.5
147.11676	0.6
154.96445	1.3
155.07114	0.8
157.10153	4.5
158.10915	3.8
159.11696	54.3
159.96950	0.8
171.11705	2.3
172.12514	1.0
173.13264	17.6
177.98059	3.6
186.14070	3.0
199.14752	0.8
200.99608	0.7
201.05478	0.7
201.16386	100.0
202.16672	1.3
208.77649	0.6
224.98035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1276
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03948	0.9
55.05506	2.6
56.17307	0.8
57.03432	1.1
57.07074	2.3
62.92999	0.7
65.03942	1.4
67.05505	5.9
69.03440	2.0
69.07078	4.2
71.04990	1.2
71.53793	1.1
79.05502	4.1
81.07065	8.9
82.45592	0.7
83.04948	1.0
83.08629	1.5
85.02932	1.0
85.06555	1.7
86.21020	0.7
91.05490	10.6
93.07053	9.6
95.04987	1.7
95.08619	9.2
98.97591	1.6
103.05464	0.9
105.07040	14.6
107.08615	8.0
109.06527	1.5
109.10158	2.3
115.05450	1.8
116.06255	1.5
117.07019	8.3
118.96771	3.0
119.07810	1.3
119.08606	19.4
121.06444	1.5
121.10159	4.3
123.08048	0.8
123.11758	3.9
127.03927	1.5
128.06245	3.0
129.07047	7.3
130.07803	5.2
131.08585	36.9
133.10149	30.4
133.99106	1.2
137.09593	1.3
141.06993	1.6
142.07802	2.2
143.08578	23.4
144.05713	1.5
144.09358	7.3
145.06505	3.6
145.10139	49.7
146.07242	1.1
147.07986	0.9
147.11723	1.8
153.06984	1.0
155.07047	2.5
155.08588	2.9
156.09328	1.1
157.06519	1.8
157.10101	6.0
158.07283	2.8
158.10933	35.0
159.08084	12.0
159.11711	28.2
161.09651	1.1
165.12729	1.3
168.09372	3.0
169.78372	0.8
171.08072	8.2
171.11699	3.3
172.08842	10.4
172.12434	0.9
173.09708	14.0
173.13284	100.0
177.98051	2.3
183.11676	3.5
185.09554	1.0
186.10428	33.9
186.13997	1.4
201.05511	2.3
201.09163	4.0
201.12776	92.7
201.16408	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	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
50.88049	0.6
51.22873	0.6
53.03946	1.4
55.05508	3.2
57.07079	9.5
67.05515	3.9
69.07067	8.0
69.58265	3.7
71.08671	1.3
79.05508	4.6
81.07061	9.4
83.08626	1.4
91.05491	9.0
93.07047	8.5
95.05031	0.9
95.08616	11.7
103.05475	0.5
105.07039	21.0
107.08599	15.3
109.06478	0.9
109.10162	2.5
113.56876	0.6
115.05470	1.8
116.06175	0.8
117.07027	13.1
118.96805	2.8
119.08587	18.6
121.06476	0.7
121.10142	5.2
128.06252	1.7
128.14339	0.7
129.07008	4.6
130.07793	6.1
131.08578	28.8
133.10143	7.3
133.99153	0.7
136.95441	1.0
142.07779	1.5
142.72014	0.5
143.08580	10.2
144.09341	8.6
145.10133	95.0
146.10918	2.8
147.11685	1.0
154.96474	1.0
155.07166	0.6
155.08485	1.4
156.09399	0.9
157.10123	6.7
158.07272	0.9
158.10954	5.0
159.08131	4.3
159.11703	63.1
160.12376	0.9
168.09360	1.7
170.83058	0.6
171.11711	7.4
172.08841	1.3
172.12387	2.2
173.09605	2.2
173.13275	20.4
177.98062	2.2
183.11729	3.3
186.10472	1.0
186.14091	4.7
199.14856	0.7
201.12781	17.7
201.16399	100.0
202.16710	1.6
216.45085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31869	0.2
56.96570	0.8
68.05027	0.3
69.07070	0.3
70.06596	100.0
71.04527	0.3
71.06918	0.5
79.05498	0.3
81.07055	0.2
84.08140	0.3
86.09725	0.3
95.08631	0.3
98.09718	0.3
98.97589	8.1
102.01902	0.2
102.66367	0.2
107.08659	0.2
116.97317	0.2
116.98621	4.6
118.96775	0.4
122.06866	0.3
123.08099	0.2
124.07616	0.7
126.09153	0.2
131.08588	0.2
134.99661	2.0
135.95708	0.4
136.06172	0.2
138.09137	0.3
145.10133	0.3
148.97743	0.2
153.96800	0.2
154.08673	0.4
158.01318	0.2
158.97369	0.2
168.07460	0.6
175.98535	0.2
176.98550	0.3
177.00818	0.2
177.98071	0.4
182.11908	0.3
183.25754	0.2
193.98427	0.2
200.09299	0.3
200.12852	0.6
200.16498	0.6
200.19160	0.7
201.16367	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	200.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11840	0.1
53.03932	0.2
53.79025	0.1
55.05502	0.4
56.05035	0.1
56.96562	0.5
57.02443	0.1
57.07079	0.2
57.60965	0.1
67.05498	0.3
68.05019	0.3
69.07074	0.5
70.06593	100.0
71.05009	0.2
71.06920	0.2
71.09496	0.2
74.09715	0.3
75.06219	0.1
75.10062	0.2
76.48989	0.1
80.12519	0.1
81.07069	0.2
84.08129	0.2
84.74899	0.1
85.02921	0.2
86.06056	0.2
86.09684	0.2
87.08098	1.1
87.79901	0.1
91.05498	0.3
93.07061	0.3
95.04984	0.3
95.08615	0.3
96.08111	0.2
97.02918	0.1
98.97589	3.7
103.06576	0.1
105.07054	0.4
107.08592	0.2
109.10194	0.1
112.07633	0.2
112.18566	0.1
114.09172	0.3
115.12279	0.1
116.98612	2.3
117.07036	0.2
119.08601	0.3
124.07618	0.2
128.95023	0.2
130.96666	0.2
131.08585	0.2
134.99655	0.9
136.06235	0.2
140.14304	0.2
145.10144	0.4
148.97755	0.3
153.00743	0.2
154.08618	0.2
158.01318	0.2
158.10524	0.2
158.97453	0.1
158.99649	0.1
159.11758	0.4
163.02687	0.2
166.31700	0.1
168.13840	0.1
173.13254	0.2
176.96049	0.2
176.98402	0.3
177.00778	0.2
177.98203	0.2
182.11800	0.5
200.07228	0.2
200.09207	0.2
200.10962	0.2
200.12875	0.3
200.14909	0.2
200.16594	0.8
200.19214	0.5
201.16466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1283
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
55.05511	1.4
56.05038	2.1
57.03441	3.7
57.07071	1.3
58.06590	1.3
59.05001	1.5
67.05498	1.2
68.05029	4.7
69.03438	0.5
69.07072	15.9
70.02956	15.6
70.06596	1.1
70.43208	1.0
71.08636	4.2
72.04520	21.2
72.56622	0.5
72.83324	0.5
73.06560	7.9
75.83079	0.5
80.05015	1.0
81.07076	1.0
82.06587	0.6
83.04980	0.7
84.04514	6.6
84.08147	22.1
86.09709	11.7
87.04461	2.6
87.08140	1.0
88.07636	0.6
93.07056	1.1
94.06543	0.8
95.08621	2.1
96.08136	1.4
97.06526	1.2
98.06052	1.2
98.09711	0.8
98.97617	2.8
105.07032	1.3
107.07323	0.6
111.08095	0.5
112.11258	10.5
112.12056	0.6
116.07113	0.5
116.98631	1.5
122.09676	9.2
122.10511	0.9
128.42726	0.5
140.10709	100.0
141.11044	0.6
144.13849	0.8
144.25002	0.5
158.10507	0.6
159.11644	0.9
172.13348	2.6
200.12828	50.0
200.20056	2.2
201.16403	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1285
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
50.75754	0.5
55.05507	0.7
56.05046	0.7
56.96570	4.4
57.03446	1.8
57.07079	0.5
59.04985	0.6
61.02935	1.1
65.16467	0.5
67.05515	1.8
69.03451	0.5
69.05817	1.0
69.07086	0.7
69.84303	1.3
69.84714	1.0
70.06601	37.3
71.05000	10.1
71.61353	0.5
71.95278	1.3
72.08165	2.8
74.09730	0.9
79.05499	0.7
81.07074	3.6
82.06575	0.7
83.07375	1.4
84.08150	1.3
85.06548	1.7
95.04976	1.6
96.08122	0.6
98.06032	0.6
98.09721	0.8
98.21433	0.7
98.97598	75.7
112.11279	0.9
112.78701	0.4
112.86903	0.5
113.06014	3.4
114.98354	0.6
116.97289	1.1
116.98634	45.4
117.97598	0.9
118.96796	1.6
126.09171	1.1
126.12807	20.7
134.99675	17.5
135.95689	0.6
136.06232	0.9
136.07585	0.8
137.05997	1.0
140.00220	1.4
140.07095	1.9
140.10719	53.4
141.05054	0.7
142.08652	0.8
142.12297	16.0
153.00734	1.4
153.96701	0.8
154.08652	1.4
155.07060	0.5
158.01311	3.1
158.08179	0.6
158.97246	0.6
158.99719	0.8
168.13850	2.1
176.98720	1.4
177.00737	3.4
177.98105	1.0
182.08208	0.9
182.11774	3.4
195.01825	1.9
200.12843	100.0
200.16423	10.0
200.19176	1.5
201.13147	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	5.2
59.18436	0.2
69.48430	1.8
71.95271	1.8
85.02919	0.7
97.02902	0.5
97.18831	0.3
98.20793	0.5
98.97590	100.0
110.97580	0.6
116.98626	36.4
128.98677	0.4
131.00150	0.3
134.99673	8.3
137.05968	0.5
140.00180	2.5
140.02341	0.3
153.00706	0.6
158.01300	1.9
158.99712	1.3
170.99602	0.4
176.99139	0.4
177.00731	4.2
189.00717	0.4
195.01761	1.7
196.45139	0.3
199.18852	0.4
213.60181	0.3
213.94574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16742	0.2
54.98639	0.3
56.96569	5.9
69.54299	0.3
69.83694	1.1
71.95277	1.8
73.88058	0.3
83.60186	0.3
85.02876	0.4
97.02863	0.4
98.21417	0.3
98.97589	100.0
99.97924	0.4
108.96054	0.3
109.94437	0.3
110.97581	0.3
116.98628	38.7
118.01059	0.3
126.00796	0.7
127.01501	0.3
134.99667	8.3
140.00200	2.3
153.00717	0.6
154.03452	0.3
156.01834	0.4
158.01265	2.1
158.99704	1.1
165.02295	0.3
177.00699	3.8
177.02234	0.5
195.01802	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	200.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.3
55.82478	0.3
56.96570	6.1
57.03440	1.3
61.02941	1.0
65.10329	0.3
69.03440	0.9
69.85645	1.4
70.75930	0.3
70.86847	0.3
71.95266	1.7
73.02934	1.3
81.03401	0.4
85.02900	1.3
87.04495	0.4
89.14066	0.3
97.02923	0.9
97.96816	0.4
98.21524	0.3
98.97595	100.0
99.97877	0.3
100.02499	0.3
101.00848	1.3
109.02936	0.4
110.97580	1.1
116.98634	40.2
119.01911	1.1
126.02607	0.4
127.03906	0.4
128.98610	0.5
131.00162	0.4
131.01901	0.9
131.54691	0.3
134.99669	9.8
135.00679	0.6
135.03085	0.4
140.00220	2.5
140.02364	0.4
140.98624	0.3
141.02899	0.4
143.01837	0.3
146.02403	0.4
148.05179	0.3
153.00739	0.6
154.03516	0.4
155.02792	0.6
156.02005	0.4
158.01337	2.5
158.99651	1.5
161.02895	0.7
168.01468	0.6
170.03400	0.5
170.53577	0.3
170.99570	0.6
177.00748	3.8
177.02287	0.5
177.04036	0.3
189.00714	0.6
195.01837	1.6
200.03104	3.5
200.57616	0.3
219.01778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.133
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.03948	0.9
55.05271	1.4
55.05516	19.0
56.96553	1.2
57.03437	1.3
57.07081	10.4
57.93576	1.7
67.05505	4.5
68.22864	1.0
69.03433	1.1
69.07070	5.4
70.07410	1.3
70.73706	2.5
71.04974	0.9
72.04514	2.1
74.09721	11.5
79.05508	2.3
81.07060	5.2
83.04988	9.2
83.08632	2.0
84.08965	1.0
85.06550	5.7
91.05473	1.5
93.07040	9.4
95.04959	1.5
95.08619	11.4
97.06536	5.1
97.10191	0.9
98.97600	2.4
100.07627	4.8
104.53666	0.9
105.07030	4.7
107.08592	18.0
109.06524	3.3
109.10167	3.7
111.04447	100.0
111.08085	2.5
113.06012	2.7
116.97229	14.9
117.07019	2.3
121.06509	2.3
121.10167	2.1
123.08102	1.0
125.05998	27.6
127.07577	4.1
130.07831	1.9
131.99591	3.5
134.95900	3.2
135.08054	13.8
135.11703	19.7
136.79506	0.9
137.13274	1.7
137.53400	0.9
139.07535	4.2
140.04655	1.5
142.07780	1.3
143.08580	3.8
145.10133	16.4
145.11298	1.0
152.96960	3.8
153.12787	5.4
157.10115	4.5
157.97491	2.2
158.15492	1.3
163.11189	23.4
169.06273	0.9
171.11650	1.8
175.98544	14.6
181.12238	37.4
199.14977	6.4
199.18910	52.4
201.19237	0.9
209.63977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0966
Annotation	Suspenolic acid
Peak:m/z	Relative Intensity
51.29935	0.5
53.03849	2.5
55.01777	2.3
55.02068	1.0
55.05423	1.9
55.41931	0.5
57.07011	0.9
57.13667	0.6
57.93514	0.7
65.03884	0.5
67.05410	3.7
67.41974	0.4
68.81522	0.5
69.03354	1.2
69.06978	1.9
70.07272	0.5
70.61037	0.9
70.61372	0.8
71.04930	0.6
72.04440	0.8
74.09627	5.4
75.94539	0.6
77.03849	1.2
79.05403	18.5
79.05901	1.5
81.06963	5.4
82.84342	0.5
83.04886	1.7
83.08567	1.3
85.06487	0.6
90.10555	0.5
91.05486	13.7
93.07050	29.2
93.07611	1.4
95.04974	7.4
95.08533	2.1
97.06444	3.2
97.70155	0.5
98.10483	0.7
98.97521	1.8
99.00497	0.6
100.07562	1.3
100.11185	0.8
100.23162	0.6
103.05393	1.9
105.03364	0.9
105.04466	1.4
105.06967	1.0
107.04956	2.9
107.08533	0.7
109.06451	1.7
111.04448	3.1
111.08091	3.6
111.11691	0.5
116.97234	8.1
116.98557	2.0
121.06515	37.4
121.10059	0.5
123.04380	1.8
123.08082	13.6
125.05955	0.7
131.99510	2.0
134.95819	1.8
135.07951	0.7
139.07550	29.9
140.04756	2.8
149.04768	1.0
149.05978	14.7
152.96886	2.9
153.09084	0.6
155.07025	0.9
157.09991	0.7
157.97517	1.5
167.07053	100.0
171.08099	0.6
175.98543	8.7
181.08647	0.8
182.08162	1.4
185.08147	1.4
199.07785	1.0
199.09729	2.1
199.14911	0.8
199.18936	21.8
217.90262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0529
Annotation	FR 900098
Peak:m/z	Relative Intensity
56.96547	2.0
57.03422	1.1
57.75164	0.7
60.08173	7.2
65.91451	0.7
68.05024	1.1
69.03424	1.2
71.52007	1.2
73.02930	1.0
85.02900	1.0
95.06098	26.5
98.97566	2.9
100.02515	0.7
100.07600	1.4
101.93471	0.8
103.02454	0.8
109.02905	0.7
110.97557	0.8
119.01888	1.5
119.53369	0.8
145.03433	0.7
146.08154	2.2
147.01447	1.0
154.13412	9.4
168.03651	0.9
170.02904	1.2
173.01294	0.7
185.03017	0.6
198.05292	100.0
198.12433	3.7
198.18594	1.5
198.56232	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.154
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
55.01863	2.9
55.05518	26.3
55.93518	2.1
56.22506	1.6
57.03434	3.9
57.07066	4.0
58.26101	1.5
59.05008	1.5
61.92688	1.6
63.22504	1.4
67.05513	31.7
69.03440	2.5
69.07079	26.7
70.88029	3.7
70.95874	27.1
71.05003	12.1
72.93796	13.0
73.06527	1.7
79.05506	19.2
81.07067	77.5
83.05006	8.3
83.07478	1.7
83.08633	22.5
85.06551	19.1
88.96944	2.9
91.05479	20.0
93.07057	30.2
95.04952	4.7
95.08621	100.0
97.06541	20.1
97.10171	9.6
99.04527	1.7
99.08097	6.5
105.07043	32.6
107.08623	23.5
108.05740	2.0
109.06509	8.4
109.10165	8.1
111.08096	5.6
111.98492	28.4
113.09650	2.6
113.96346	2.1
114.87362	1.4
114.94850	1.5
115.07543	2.0
119.08594	43.1
121.06473	1.8
121.10172	15.9
123.04415	1.7
123.08083	12.8
123.11710	2.4
125.05990	1.7
129.99544	9.5
132.95853	50.5
133.10156	40.1
135.11720	28.8
137.06055	2.0
137.09644	4.1
137.13275	32.8
141.09161	3.2
150.96915	46.2
151.07613	1.6
153.01109	2.0
155.97440	48.6
161.09625	3.5
161.13281	80.8
163.00737	1.5
173.98509	45.4
173.99933	3.0
179.10733	10.8
179.14331	47.7
179.15852	3.2
197.00127	6.4
197.06229	1.7
197.10002	2.3
197.11766	13.4
197.13376	3.0
197.15384	14.0
198.18544	20.8
207.06293	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1537
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03950	1.5
55.01861	2.4
55.05266	2.3
55.05510	26.1
57.03425	3.4
57.07071	5.0
57.56485	1.3
67.05505	27.2
69.03413	1.7
69.07070	27.5
70.95858	16.9
71.04992	8.6
71.39936	2.1
72.17256	1.4
72.93778	7.5
79.05492	15.5
81.07057	75.4
83.04992	8.7
83.08616	22.4
84.12881	1.2
85.06556	11.1
88.96894	1.7
90.94787	1.8
91.05479	20.9
93.07043	26.2
95.04955	2.7
95.08611	100.0
97.06534	21.3
97.10167	11.1
97.95562	1.3
98.54701	1.5
99.08086	6.8
101.06001	2.1
105.07030	29.0
107.08601	20.5
109.06528	4.4
109.10184	8.2
111.08068	4.7
111.98483	19.2
113.06025	1.7
115.07565	2.2
119.08584	45.7
121.10159	13.7
123.08060	9.0
123.11697	1.5
124.88306	1.7
127.07502	2.2
129.99503	6.3
132.95839	41.0
133.10135	31.1
135.11708	30.3
137.09561	3.4
137.13257	27.0
141.09061	2.5
150.96893	28.5
151.03906	1.8
151.11169	1.9
153.01057	1.6
155.97427	30.7
160.34575	1.6
161.09647	2.1
161.13260	81.3
173.98508	32.0
179.10707	8.7
179.14310	46.7
197.00031	3.3
197.09723	1.3
197.11743	7.6
197.13451	2.6
197.15346	12.7
198.18555	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	197.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.8
55.05509	4.3
57.03445	1.0
59.04998	0.9
65.97816	0.6
67.05505	3.6
69.03440	0.9
69.07069	2.3
69.76726	3.8
70.95515	1.1
70.95872	11.2
71.04998	1.9
72.93796	6.5
73.71212	0.7
79.05517	3.9
81.07074	5.1
83.04996	2.3
85.06554	2.4
88.96909	1.8
90.94827	1.7
91.05489	9.9
93.07051	7.5
95.05008	3.5
95.08617	3.4
97.06551	1.3
99.04473	1.4
99.08104	1.1
103.54077	0.8
105.07052	15.7
107.08606	100.0
109.06544	2.8
109.10168	6.9
111.08105	0.9
111.98491	16.8
113.96400	1.7
114.28889	0.7
114.94788	1.2
119.04980	1.4
119.06067	1.4
119.08582	4.6
121.06529	2.3
121.10171	2.0
123.04474	0.7
123.08089	0.7
123.11737	1.3
129.99516	3.8
131.08601	1.4
131.96222	0.9
132.95854	31.3
133.10146	53.1
135.08023	0.8
135.11707	16.9
137.05995	2.2
137.09619	3.2
141.20877	0.7
143.08665	0.9
146.07332	1.5
149.02327	0.7
150.96890	21.4
151.07578	0.9
151.11237	4.4
152.42024	0.6
155.97432	23.7
156.30077	0.7
161.09642	15.7
161.13339	0.9
167.10744	1.0
173.98511	24.8
179.10699	27.5
179.14354	1.2
197.00145	1.7
197.11751	68.4
198.18556	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	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
54.20301	0.8
55.01867	1.1
55.05513	3.5
57.03438	1.2
57.07071	2.2
59.05001	2.8
64.39616	0.9
67.05492	5.4
68.72491	0.9
69.03434	1.7
69.07073	1.7
70.95879	13.3
71.04983	0.9
72.93786	4.9
75.78312	0.8
79.05485	5.5
81.07079	7.9
83.04971	1.5
85.06544	2.3
88.96893	1.5
90.94818	1.1
91.05491	12.0
93.06481	1.8
93.07051	24.1
95.04984	8.0
95.08608	6.2
98.10918	1.1
99.04462	1.1
99.08082	1.0
105.07043	23.4
107.04955	1.0
107.08607	61.5
109.06535	4.6
109.10176	6.6
111.04480	0.9
111.98489	14.5
113.06001	2.1
113.96404	2.2
117.07000	1.0
119.04961	2.1
119.06046	1.5
119.08585	7.3
121.06521	5.0
121.10143	2.1
123.04471	5.0
123.08077	0.9
123.11716	2.2
125.06018	1.1
129.99507	6.0
131.08521	2.6
132.95857	30.5
133.06454	0.9
133.10149	63.4
135.08047	1.2
135.11707	53.2
137.05984	3.8
137.09642	6.1
139.30937	0.8
141.05424	1.0
146.07249	1.3
150.96906	23.2
151.07573	1.3
151.11209	6.1
155.08510	1.0
155.97435	25.5
161.09639	31.8
165.15063	0.9
173.98524	24.2
179.10696	100.0
197.00197	1.7
197.11757	97.2
198.18544	3.8
200.07352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03941	1.2
55.05507	2.3
57.49290	0.9
59.05016	0.8
67.05500	2.0
69.03442	1.1
69.07037	0.8
69.56450	4.5
70.95863	7.8
72.93791	2.9
79.05491	3.2
81.07044	4.3
83.04987	1.4
90.94824	0.8
91.05476	11.8
93.07043	11.2
95.04955	1.9
95.08611	1.7
105.07033	18.7
107.08595	100.0
109.06481	3.5
109.10133	4.2
111.98483	6.8
119.04945	1.5
119.08576	7.9
121.06512	2.7
121.10158	5.2
123.08067	1.4
123.11692	1.9
125.05997	0.9
125.09660	0.7
129.99538	1.9
131.08537	1.3
132.95834	15.2
133.10132	57.1
135.11700	13.9
137.06021	3.9
137.09627	2.7
139.07576	1.4
143.08600	0.9
149.09625	3.4
150.96890	10.5
151.03902	1.0
151.07495	0.8
151.11212	7.9
155.97435	11.8
161.09624	15.6
161.13281	0.9
167.10698	7.2
173.98482	11.6
177.88054	0.7
179.09096	1.6
179.10677	29.3
197.11737	67.6
198.18521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1175
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.01890	0.8
55.05509	4.3
57.03445	1.0
59.04998	0.9
65.97816	0.6
67.05505	3.6
69.03440	0.9
69.07069	2.3
69.76726	3.8
70.95515	1.1
70.95872	11.2
71.04998	1.9
72.93796	6.5
73.71212	0.7
79.05517	3.9
81.07074	5.1
83.04996	2.3
85.06554	2.4
88.96909	1.8
90.94827	1.7
91.05489	9.9
93.07051	7.5
95.05008	3.5
95.08617	3.4
97.06551	1.3
99.04473	1.4
99.08104	1.1
103.54077	0.8
105.07052	15.7
107.08606	100.0
109.06544	2.8
109.10168	6.9
111.08105	0.9
111.98491	16.8
113.96400	1.7
114.28889	0.7
114.94788	1.2
119.04980	1.4
119.06067	1.4
119.08582	4.6
121.06529	2.3
121.10171	2.0
123.04474	0.7
123.08089	0.7
123.11737	1.3
129.99516	3.8
131.08601	1.4
131.96222	0.9
132.95854	31.3
133.10146	53.1
135.08023	0.8
135.11707	16.9
137.05995	2.2
137.09619	3.2
141.20877	0.7
143.08665	0.9
146.07332	1.5
149.02327	0.7
150.96890	21.4
151.07578	0.9
151.11237	4.4
152.42024	0.6
155.97432	23.7
156.30077	0.7
161.09642	15.7
161.13339	0.9
167.10744	1.0
173.98511	24.8
179.10699	27.5
179.14354	1.2
197.00145	1.7
197.11751	68.4
198.18556	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	197.0809
Annotation	Curvulide B1
Peak:m/z	Relative Intensity
53.03938	2.4
55.05500	1.3
57.07079	0.9
67.05509	4.2
68.99789	5.1
69.07066	2.5
70.63112	2.2
70.95856	4.8
71.04983	5.5
72.93790	2.0
74.14829	0.7
79.05492	1.3
81.03410	0.9
81.07049	2.5
83.04991	0.7
85.06561	6.7
88.89951	0.6
91.05505	1.4
93.07034	4.1
93.51658	0.6
95.04971	10.6
95.08607	1.6
105.07062	4.2
107.08612	3.5
109.06525	17.8
111.04430	1.4
111.08087	10.2
111.98477	6.5
113.06010	38.7
113.96410	0.9
115.05437	2.6
119.08610	1.4
119.31727	0.7
123.04430	30.3
123.08056	1.9
126.09920	0.8
127.03912	2.2
129.99541	2.1
132.95836	13.0
133.06487	3.1
133.10129	3.5
135.11734	1.4
137.05995	3.9
137.09607	0.9
139.03917	1.5
150.96893	7.7
151.07552	42.5
155.07043	6.1
155.97421	10.0
161.05991	20.3
161.09576	1.2
164.04677	4.3
173.98499	9.8
179.07042	100.0
179.10602	3.2
180.07370	0.9
197.08105	34.1
197.11748	3.2
198.18555	1.9
204.48395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	Curvulide B1
Peak:m/z	Relative Intensity
53.03948	4.4
53.96811	0.4
54.05431	0.4
55.01869	0.8
55.05515	1.1
57.07068	1.1
67.05505	3.3
68.99797	5.8
69.07058	1.1
69.64341	3.1
70.95854	2.5
71.05000	4.5
72.93787	1.1
79.05503	1.4
81.07055	2.2
83.04990	1.1
83.08621	0.8
85.06543	4.9
89.22488	0.6
89.54698	0.5
91.05489	1.8
92.96326	0.5
93.07050	2.1
95.04977	12.6
95.08607	1.4
97.06499	0.6
105.07044	3.4
107.04897	0.5
107.08605	1.9
109.06528	16.5
109.10121	0.5
110.68819	0.5
111.04460	1.3
111.08097	10.8
111.98519	3.1
113.06016	44.3
115.05448	2.1
117.42184	0.5
119.08561	0.5
123.04443	32.0
123.08071	1.6
127.03952	2.8
129.99487	0.7
132.95856	6.5
133.06509	4.3
133.10121	1.6
135.11740	0.6
137.05988	3.5
139.03906	1.9
140.49768	0.5
150.96887	3.0
151.07558	42.6
155.07021	5.6
155.97430	4.1
161.06000	20.8
161.09586	0.8
164.04703	4.4
173.98491	4.4
179.07051	100.0
179.10516	1.9
180.07373	0.5
197.08116	33.9
197.11835	2.1
198.18558	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60106	2.2
55.05517	47.2
57.07078	23.9
57.50740	2.2
63.04851	2.5
63.54383	2.1
68.95081	2.5
69.07075	100.0
70.06593	2.9
70.65666	6.9
71.08622	8.7
81.07047	4.1
83.08633	50.3
85.10216	2.6
89.06039	35.0
95.08633	3.1
97.00532	9.0
97.10184	34.4
107.08598	3.9
111.11726	19.9
113.05267	3.1
121.10190	3.9
125.13253	3.2
133.08611	7.4
135.04350	3.5
135.11685	4.0
163.03914	23.0
193.81787	2.5
195.08673	2.6
195.12271	3.9
195.15750	10.4
196.16965	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	195.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
55.01866	4.8
55.05271	1.9
55.05517	26.9
57.03434	5.8
57.07072	6.1
57.99367	1.7
59.04992	4.0
61.44672	1.5
67.05510	15.3
68.96326	2.3
68.99809	1.7
69.03437	10.1
69.07072	39.9
70.94267	1.6
71.05003	12.2
71.53616	1.8
77.03948	1.5
79.05501	22.0
81.03432	16.2
81.07063	51.1
83.04986	5.5
83.08620	16.2
85.02921	6.5
85.06542	8.2
89.03907	4.6
89.06036	4.6
91.05499	12.4
93.07059	41.4
95.04969	4.5
95.08617	62.2
97.06535	5.8
97.10184	10.3
99.08107	44.3
100.23601	1.8
101.14564	1.7
103.05476	2.3
105.07044	7.5
107.04969	9.7
107.07876	3.0
107.08606	59.4
109.02883	5.7
109.06525	6.4
109.10176	22.5
109.98927	3.5
111.08083	19.2
111.11709	2.4
113.09642	5.6
117.03390	7.4
119.08622	3.9
121.02879	6.2
121.06531	3.1
121.10159	83.9
123.08042	4.1
123.11729	9.5
125.06008	58.5
125.09637	31.0
127.07571	5.3
130.96349	7.4
131.08559	5.4
131.96170	2.0
133.10139	3.3
134.60033	1.4
135.04422	2.3
135.08069	8.7
135.11707	30.2
137.09622	3.9
137.13252	18.2
139.07562	1.6
139.11153	3.3
145.02866	17.4
148.97307	3.8
149.05986	5.1
149.09576	8.0
149.13272	19.7
149.97221	2.6
151.14853	3.5
153.09088	3.8
153.97914	4.7
159.11714	9.3
163.03917	8.6
167.07076	2.5
167.08449	2.5
167.14362	7.1
171.98936	4.9
177.05478	22.0
177.09094	2.0
177.12863	12.4
177.16408	100.0
178.16716	1.8
195.02907	15.0
195.06496	3.5
195.08101	4.8
195.10162	4.5
195.12099	2.8
195.13872	15.5
195.15714	3.0
195.17461	25.0
203.17130	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.00336	1.0
50.21618	0.9
52.47310	1.0
53.03936	1.7
54.10781	1.0
55.01873	5.8
55.05515	15.0
56.96548	1.5
57.03419	1.1
57.07068	5.0
59.04985	1.3
59.73434	1.1
66.26888	1.0
67.05511	7.7
69.03437	3.4
69.07072	27.2
69.55175	7.6
71.04991	5.7
73.49600	1.0
79.05495	10.3
81.03416	3.7
81.07063	29.8
83.04992	1.9
83.08633	13.4
85.06548	4.5
89.03910	1.4
89.06030	2.9
91.05488	4.1
91.29805	1.1
93.07047	21.5
95.04955	1.7
95.08611	48.5
97.06548	3.3
97.10160	7.2
99.08101	32.9
99.08745	1.3
105.07015	2.2
107.04945	2.0
107.08599	36.3
109.02902	2.7
109.10166	11.0
109.98931	1.4
111.08084	20.7
111.11700	1.2
113.09634	7.1
117.03370	3.6
119.08596	2.0
121.06538	1.5
121.10149	58.6
123.11700	1.6
125.06055	1.4
125.09614	5.5
125.13254	1.4
127.78077	0.9
130.96313	2.6
131.08559	1.3
133.10178	1.7
135.08101	1.5
135.11697	13.0
137.09573	1.5
137.13286	14.6
139.11186	4.5
145.02870	6.7
149.05971	2.6
149.09566	1.7
149.13268	5.1
163.03917	4.7
169.72227	1.1
171.98976	2.0
177.05508	10.8
177.09137	1.1
177.16399	100.0
195.02951	3.0
195.06500	1.2
195.11830	1.5
195.13797	3.1
195.15756	1.7
195.17427	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	195.1746
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03933	1.6
54.04301	0.9
55.01857	3.8
55.05268	1.5
55.05515	16.9
56.96553	3.2
57.03425	1.2
57.07059	3.8
59.05001	1.2
65.03931	1.3
67.05503	6.3
68.96337	2.2
69.03423	9.5
69.07071	30.7
69.23499	1.0
70.58141	1.0
70.76768	1.8
71.04985	8.5
71.08622	1.6
79.05491	8.2
81.03402	4.5
81.06591	1.8
81.07055	32.8
83.04960	2.1
83.08622	13.7
83.18108	0.9
85.02893	1.8
85.06540	5.8
89.05999	1.3
91.05495	5.2
93.07048	18.7
95.04980	1.7
95.08611	48.8
96.01505	1.4
97.02901	1.7
97.06493	2.9
97.10176	8.9
98.97573	4.0
99.08099	40.8
105.07010	3.4
107.04943	4.2
107.08595	46.1
109.02873	3.0
109.06481	1.4
109.10155	14.9
109.98927	3.4
110.01317	1.2
111.04477	1.1
111.08099	11.1
111.11726	2.1
113.09658	6.0
116.98626	1.9
117.03343	3.2
119.01804	3.0
119.08588	1.8
121.10150	62.5
123.11688	2.9
125.09634	22.6
125.13267	1.6
127.03926	1.8
128.02322	7.3
130.96303	4.7
135.04401	1.3
135.08041	2.9
135.11699	16.0
137.02823	1.8
137.13271	16.1
139.11195	3.1
145.02840	3.6
148.97327	2.7
149.05931	1.5
149.09621	1.6
149.13255	5.6
153.97881	4.5
158.99617	2.9
163.03912	2.4
163.07562	1.6
167.07095	2.4
171.98920	3.7
177.05493	5.9
177.09177	1.8
177.16393	100.0
183.05899	1.7
195.02843	1.8
195.10187	3.5
195.13780	1.7
195.15640	1.6
195.17436	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.40130	0.8
51.10545	0.9
53.03941	3.2
55.01868	6.2
55.05508	21.2
57.03429	3.1
57.07085	5.5
59.04985	2.3
62.17804	0.8
65.03938	1.3
67.05502	15.1
69.03435	10.2
69.06681	2.0
69.07065	36.9
70.78258	2.3
71.04999	8.9
71.08619	1.7
79.05492	15.7
81.03422	7.6
81.07056	47.4
83.04981	3.4
83.08617	17.7
85.02885	2.7
85.06543	8.3
85.10157	1.0
89.03918	1.4
89.05999	1.5
91.05493	7.3
91.23937	1.0
93.06482	2.0
93.07042	30.8
94.51147	1.0
95.04967	2.0
95.08608	67.4
97.06543	4.8
97.10168	8.9
98.68752	1.0
99.08096	41.2
105.07047	7.3
107.04919	2.4
107.08595	54.0
109.02868	2.9
109.06520	8.7
109.10155	21.5
109.98940	1.4
111.04436	1.4
111.08080	16.4
111.11726	2.6
111.17775	1.0
113.09644	4.6
117.03355	1.8
119.08576	3.4
121.02850	3.5
121.06496	2.1
121.10142	81.2
123.08044	3.7
123.11698	7.5
125.05991	63.3
125.09625	33.2
125.13263	1.2
127.07539	4.9
128.80576	1.0
130.96298	2.5
131.08600	2.0
133.10062	1.8
135.04388	1.9
135.08058	6.6
135.11688	21.9
137.09595	2.1
137.13255	21.9
139.07504	1.8
139.11194	4.3
145.02824	7.4
148.97368	2.3
149.05984	1.6
149.09639	6.8
149.13278	15.1
151.14792	2.8
153.09128	2.3
153.97916	3.1
159.11734	4.6
163.03877	4.2
167.14326	7.1
171.98943	4.0
177.05516	8.4
177.09099	1.8
177.12866	8.3
177.16385	100.0
195.01213	1.5
195.02831	6.7
195.06476	2.5
195.08144	2.4
195.10069	2.4
195.13840	10.1
195.15739	1.7
195.17426	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	195.1383
Annotation	Clavularin A
Peak:m/z	Relative Intensity
53.03945	1.5
55.01865	1.6
55.05513	5.0
57.03443	42.0
57.07061	1.4
65.03918	0.8
67.05508	11.1
68.96339	1.0
69.03421	1.0
69.07075	4.1
69.07397	0.7
69.34953	3.4
71.04995	2.2
75.04485	2.7
79.05068	0.9
79.05503	13.2
79.21176	0.6
79.41154	0.5
79.53664	0.5
81.03414	5.2
81.07066	9.8
83.04987	3.1
83.08628	1.8
83.36970	0.6
84.54812	0.5
85.06549	9.2
89.03925	1.6
89.06062	3.5
91.05488	4.9
93.07051	18.8
93.54502	0.5
95.04980	6.9
95.08616	18.6
96.62611	0.5
97.06518	2.7
99.08112	2.6
103.05473	0.5
105.07053	5.6
107.04945	2.0
107.08593	9.1
109.02890	2.2
109.06507	3.6
109.10145	1.5
109.98986	0.9
111.08105	4.6
117.03393	3.2
117.07034	3.6
119.08589	1.4
121.06509	2.0
121.10159	7.1
123.08079	100.0
124.08439	0.8
125.05986	1.1
129.07027	0.5
130.96326	1.2
131.08592	3.3
131.96123	1.0
133.02870	2.2
133.06490	1.7
133.10147	2.0
135.04436	3.1
135.08130	3.7
135.11714	4.5
137.09628	2.0
139.07614	0.8
139.11177	4.6
144.09419	0.7
145.02872	6.6
148.97380	1.8
149.06013	2.2
149.09642	1.1
149.13293	4.8
151.11130	0.8
153.09166	0.6
153.97887	1.4
157.01534	0.6
159.11707	4.8
163.03918	26.9
165.06926	0.7
171.98964	2.0
177.05476	8.4
177.09224	0.6
177.12762	6.3
177.16408	0.7
195.02896	3.1
195.06505	0.9
195.10178	0.8
195.11797	1.6
195.13838	7.2
195.15744	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.06091	1.8
53.03941	7.9
55.01885	2.4
55.05514	29.2
57.03440	11.9
57.07069	7.8
65.03902	1.8
67.05501	25.5
69.03450	4.1
69.07072	50.1
69.18528	18.3
71.04997	20.6
71.48927	1.9
72.38245	1.7
76.43929	2.0
77.03910	2.3
79.05495	68.5
81.03410	7.0
81.06586	3.6
81.07059	62.1
82.64734	2.0
83.04976	7.8
83.08620	9.9
85.06535	3.2
89.06049	4.5
91.05485	42.0
93.07045	100.0
95.04961	12.2
95.08605	28.7
97.06525	6.7
98.20781	3.3
99.37954	1.6
101.11678	1.8
103.05434	1.9
105.04527	2.7
105.07033	25.3
107.04949	9.4
107.08603	60.3
109.02872	3.9
109.06516	20.5
109.10136	2.6
109.98942	2.8
115.05484	2.6
117.03396	4.9
117.07009	27.5
119.06071	2.1
119.08572	16.9
121.06506	17.6
121.10155	15.1
122.07291	3.1
123.08083	15.5
129.07001	7.9
130.07751	3.0
131.08559	33.4
133.02867	3.9
133.06496	32.5
133.10153	9.8
135.04428	5.1
135.08105	10.0
135.11687	31.0
137.09538	1.9
139.07538	3.1
144.09358	7.2
145.02852	8.5
148.97385	3.3
149.05981	3.1
149.09570	3.4
149.13271	16.8
153.97873	2.4
159.11699	21.2
163.03899	50.2
177.05524	9.1
177.09071	2.2
177.12756	17.1
195.02852	4.5
195.06503	1.6
195.10222	2.6
195.11842	3.7
195.13824	7.2
195.15662	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.23550	1.1
52.76225	1.1
53.03939	5.9
55.01866	4.5
55.05317	1.3
55.05521	14.4
57.03439	6.2
57.07072	2.4
57.74792	1.2
65.03937	2.8
67.05509	67.3
68.96341	1.4
69.03427	2.8
69.07074	17.3
71.04995	10.8
71.54308	1.6
71.96045	1.2
79.05496	51.0
80.22304	1.2
81.02988	2.0
81.03423	25.4
81.07060	100.0
83.04985	26.8
83.08627	10.0
85.02920	1.5
85.06531	5.7
87.04468	1.4
87.87975	1.2
89.03931	3.7
89.06038	14.0
91.05487	35.2
91.33199	1.2
93.07048	72.5
95.04972	20.3
95.08611	39.7
97.06541	16.7
97.90223	1.2
99.04459	2.4
99.08086	2.9
105.04519	2.1
105.07034	15.7
107.04989	6.1
107.08607	29.7
109.02868	2.9
109.06519	12.7
109.10157	4.7
109.98959	1.5
111.08081	5.5
113.06056	1.4
113.09660	1.7
115.05478	1.5
117.03384	6.6
117.07027	17.6
119.08578	4.5
121.02884	2.8
121.06509	10.0
121.09446	1.4
121.10165	12.0
123.08089	2.6
125.05956	1.4
125.09629	1.4
130.96278	2.9
131.08560	16.9
131.96153	1.7
133.02852	3.7
133.08578	3.6
133.10133	17.0
135.04439	3.5
135.08081	7.4
135.11702	29.0
139.07567	1.5
144.09332	1.6
145.02855	11.5
148.97391	2.9
149.05995	7.3
149.09622	2.6
149.13266	19.0
149.97345	1.2
151.11206	2.2
153.97934	3.0
159.11713	22.4
163.03917	41.7
165.07033	2.2
166.82303	1.2
167.07074	8.4
167.14429	1.6
171.98970	1.9
177.05478	18.6
177.09097	1.3
177.12787	16.0
195.02882	10.1
195.06477	2.9
195.08138	1.5
195.10077	3.3
195.11888	3.8
195.13835	36.0
195.15724	5.7
195.17436	1.5
197.58238	1.3
211.61435	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03936	2.8
55.01875	2.7
55.05499	1.2
57.03424	1.8
65.03942	1.9
67.05493	3.6
69.03426	3.0
71.05000	2.5
79.05497	15.7
81.03421	6.9
81.07079	6.9
83.04967	1.5
85.02911	1.4
89.03930	3.7
89.06040	15.1
91.05473	7.8
93.03412	1.3
93.07047	6.9
95.05006	5.8
95.05503	1.1
95.08610	4.3
97.00558	1.5
97.06564	1.5
98.21632	2.7
103.05471	10.0
105.07046	13.2
107.04963	100.0
107.08582	8.1
108.04323	1.2
109.02866	4.5
109.06505	2.1
109.10131	1.4
111.08072	1.8
115.05464	7.7
117.03382	7.3
117.07001	3.1
120.05733	3.0
121.06468	2.9
121.10139	3.2
123.04427	1.9
124.05212	2.8
124.74532	1.3
125.06000	2.7
130.54956	1.2
130.96309	2.4
131.04886	1.4
131.96132	1.4
133.02841	3.1
133.06445	1.4
133.08618	3.3
133.10149	1.4
135.04440	6.6
135.08066	24.7
135.11720	6.3
137.06001	2.8
137.09572	1.2
139.03920	2.6
145.02844	11.0
145.07564	2.1
147.04456	2.2
148.05182	1.4
148.97328	1.6
149.02338	1.2
149.05995	5.0
149.09648	1.5
151.03899	2.6
151.11160	1.6
153.97870	2.5
154.06223	6.9
155.52882	1.2
159.11748	1.8
163.03911	52.2
163.07550	38.4
165.05447	1.6
165.07025	3.6
167.07053	40.1
171.98994	1.6
177.01794	1.4
177.05489	19.0
177.08989	1.8
177.12666	2.8
177.16394	1.7
180.07777	7.9
180.09343	3.4
183.41861	1.4
186.73293	1.2
195.02928	10.0
195.06482	2.6
195.08260	1.8
195.10152	49.2
195.11746	8.2
195.13863	3.6
195.15762	4.5
195.17395	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00302	0.7
53.03943	1.3
55.01868	1.7
55.05511	0.5
57.03429	1.0
65.03937	0.5
67.05511	1.6
69.03424	0.8
69.07070	0.9
70.64500	0.6
70.64861	0.6
71.05000	0.5
77.03946	0.6
79.05502	9.4
81.03423	1.3
81.07065	1.7
85.06537	0.5
89.03973	0.4
89.06032	1.1
91.05488	7.0
92.06316	0.3
93.07069	2.1
94.04189	0.3
95.04980	3.2
95.08631	1.1
97.06564	0.5
99.04484	0.4
103.05486	8.2
105.04533	1.0
105.07040	12.6
106.04195	0.4
107.04964	100.0
107.08624	2.1
108.05305	0.4
109.02872	0.8
109.06511	0.9
109.10194	0.4
109.98952	0.3
115.05473	8.0
117.03399	1.3
117.07066	2.5
119.04962	0.7
120.05750	2.4
121.06525	0.9
121.10162	1.1
123.04458	0.4
123.08079	1.3
124.05209	0.4
125.05991	0.5
128.80794	0.3
130.96294	0.6
131.04961	0.4
131.08559	0.4
133.02849	1.0
133.06564	0.8
135.04449	1.2
135.08069	25.3
135.11708	1.0
137.06027	0.6
139.03900	0.3
145.02856	2.6
145.07632	2.5
147.04445	0.5
148.05185	0.6
148.97359	0.8
149.05972	0.9
149.09702	0.4
149.13249	0.6
151.07524	0.5
153.97954	0.6
154.06274	0.8
159.11719	0.5
163.03926	9.4
163.07559	49.3
164.07994	0.5
165.05609	0.5
165.07022	0.3
167.07063	5.5
167.08470	0.5
171.98982	0.9
173.94981	0.3
177.05502	3.0
177.09143	0.3
177.12703	0.8
180.07825	1.4
180.09303	0.3
195.02954	1.4
195.06564	0.4
195.10181	11.6
195.11711	0.5
195.13908	0.8
195.15750	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.56277	0.5
52.34502	0.5
53.03950	1.4
55.01878	1.6
55.05513	9.0
56.96569	1.9
57.03437	0.8
62.72622	0.5
63.02384	0.7
63.96229	0.4
65.03938	1.5
67.05513	2.3
68.96340	1.2
69.03436	1.4
69.07075	8.6
70.61982	1.5
70.94262	0.5
71.04989	1.4
72.82825	0.5
78.04733	0.7
79.05502	5.5
81.03437	3.9
81.07057	3.1
83.04991	8.3
83.08632	0.7
85.02912	1.0
85.06564	0.8
85.10162	0.5
85.26931	0.5
89.03921	16.8
89.06057	0.9
91.05489	5.5
93.03436	0.7
93.07066	2.9
95.04987	2.9
95.08617	2.8
97.02890	0.8
97.06535	1.9
98.97585	3.1
99.04472	1.1
103.05486	5.2
105.07035	4.7
106.04182	2.1
107.04964	30.9
107.08606	3.0
109.02921	2.9
109.06515	1.0
109.10184	1.7
109.98933	2.5
110.01296	0.9
111.04445	1.2
111.08103	1.6
115.05465	2.0
116.98612	0.7
117.03390	42.6
117.07017	1.0
119.01819	1.5
119.08546	1.2
120.05739	1.1
121.02899	0.6
121.06540	2.5
121.10178	1.0
123.04428	0.6
123.08121	0.6
124.05232	0.7
125.05968	1.6
127.03951	0.8
128.02318	4.8
130.96321	4.0
131.04962	1.0
131.08548	0.7
134.03633	5.9
135.04446	5.4
135.08057	8.7
135.11717	2.3
137.02855	1.4
137.05980	0.8
137.09645	5.6
139.03940	0.7
139.53165	0.7
145.02856	73.2
147.04424	1.3
148.97356	2.9
149.05991	18.2
149.09616	0.8
153.05521	0.7
153.09152	0.5
153.12784	5.9
153.97914	2.8
154.06241	2.0
158.99709	1.0
159.11732	1.1
162.03149	1.8
163.03908	9.1
163.06134	0.7
163.07550	14.6
165.05553	0.7
165.06923	0.6
167.03418	1.2
167.07051	10.3
171.98950	2.9
177.05484	100.0
177.12743	1.2
180.07861	2.3
183.05968	0.8
186.05473	1.2
195.02905	3.2
195.06662	2.7
195.08263	1.4
195.10149	15.1
195.13799	2.0
195.15559	0.8
211.84206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.36664	0.5
51.02378	0.6
53.03949	1.1
55.01867	1.0
55.05513	14.3
56.96554	0.8
57.03437	0.5
65.03944	0.8
67.05514	2.0
68.96344	1.1
68.99799	0.5
69.03426	1.4
69.07069	12.5
69.20265	0.5
69.38018	4.0
71.04993	0.9
78.04712	0.5
78.26263	0.5
79.05484	3.8
81.03426	3.0
81.07063	2.0
83.04987	11.5
85.02888	1.1
89.03923	16.7
89.06036	0.7
89.20372	0.5
90.90720	0.5
91.05476	3.7
93.07054	2.3
95.04979	1.9
95.08615	2.1
97.06548	1.5
98.20739	1.0
98.97579	1.6
99.04471	0.6
103.05480	3.1
105.04532	0.7
105.07040	2.4
106.04189	1.8
107.04958	20.8
107.08605	2.5
109.02882	1.8
109.10159	3.2
109.98917	0.6
111.04461	0.6
111.08073	1.9
115.05456	1.4
117.03387	40.3
117.07002	0.9
119.01806	0.8
120.05745	0.8
121.02905	0.6
121.06522	1.3
121.10113	0.6
123.08123	0.6
125.06003	0.7
127.31872	0.6
128.02307	2.9
130.96317	2.3
131.04959	0.6
131.08519	0.6
132.69325	0.5
133.02896	0.7
133.10135	0.7
134.03630	5.8
135.04427	3.7
135.08049	6.0
135.11710	1.4
137.02829	1.0
137.09621	8.6
145.02850	72.1
146.03159	0.6
147.04391	0.9
148.97325	0.9
149.05983	18.3
149.09622	1.0
149.13322	0.8
152.58482	0.5
153.09065	0.6
153.12750	8.4
153.97906	1.6
154.06221	1.2
158.99699	0.7
159.11748	0.6
162.03128	1.9
163.03894	7.8
163.07553	10.1
167.03447	0.7
167.07057	6.7
170.62387	0.5
171.98959	1.2
177.05475	100.0
178.05827	0.8
180.07803	1.8
186.05518	1.3
186.23592	0.5
195.02853	2.5
195.06587	2.9
195.08289	0.9
195.10155	8.8
195.13911	2.7
195.15604	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03938	2.7
55.05513	26.2
55.54126	1.4
57.03426	3.9
57.07062	5.5
59.05000	4.7
67.05508	25.7
69.03430	3.7
69.07073	21.1
69.63506	7.5
71.04990	5.4
71.08614	2.4
79.05500	9.4
81.03411	8.7
81.07066	30.8
81.60699	1.3
83.04990	17.7
83.08627	11.4
85.06555	14.0
85.10162	1.6
91.05472	11.2
93.06490	1.9
93.07049	25.1
95.04981	9.4
95.08611	52.1
97.06536	4.1
97.10159	5.1
99.07485	2.2
99.08103	26.0
103.05465	2.6
105.07030	27.3
107.08605	36.6
109.06519	14.2
109.10164	62.7
111.08080	4.5
115.05461	2.0
117.07024	3.3
119.08588	40.2
121.10155	53.2
122.07281	2.5
123.04415	3.7
123.08065	15.1
123.11702	23.6
125.09595	2.5
127.07578	1.5
131.08559	1.8
133.06496	6.0
133.10138	81.8
135.11694	58.8
137.06015	2.4
137.09622	39.8
137.13220	3.0
138.10382	1.9
139.11165	2.4
145.10237	1.9
147.11722	12.4
149.13312	7.1
151.03902	1.9
151.11169	10.0
151.14842	16.9
153.00735	1.3
161.05986	5.8
165.16418	13.1
175.11214	3.8
175.14835	59.5
178.07747	1.9
193.05005	13.4
193.08630	7.1
193.12259	5.3
193.15897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.66990	1.2
51.37191	1.0
51.62356	1.2
53.03939	1.3
55.01856	2.7
55.05508	10.7
57.03414	2.2
57.07064	4.5
59.04995	3.6
67.05185	1.5
67.05508	21.3
68.34412	1.1
69.03439	5.9
69.06795	1.0
69.07073	11.0
69.37872	8.8
71.04995	66.2
73.30453	1.0
75.77879	1.0
79.05499	11.8
81.03426	7.1
81.07055	25.0
83.04988	6.6
83.08614	3.9
85.06544	11.2
91.05486	14.0
93.06487	1.6
93.07046	20.2
95.04977	8.1
95.08609	25.6
97.02895	1.1
97.06526	2.7
99.08095	54.5
103.05462	3.0
105.07035	32.3
107.04942	1.3
107.08596	23.8
109.06504	8.3
109.10160	43.8
111.04430	1.5
111.08083	2.4
115.05479	2.6
117.07011	2.2
119.08584	36.5
121.06453	2.0
121.10152	18.9
123.04396	2.8
123.08068	9.2
123.11713	12.2
128.96465	1.2
129.06995	2.6
131.08562	4.6
133.06522	9.7
133.10127	44.5
135.11688	26.3
137.05942	1.8
137.09619	17.0
145.10124	1.6
146.97461	1.7
147.08023	3.3
147.11696	17.0
149.02492	1.3
149.05974	1.2
149.09634	2.6
149.13287	5.6
151.04007	1.4
151.11188	12.7
151.14824	3.8
157.10164	1.7
160.12413	1.2
161.05978	9.3
162.88492	1.2
165.12787	2.8
173.36127	1.1
175.07484	2.3
175.11179	4.9
175.14830	59.3
178.02644	1.3
184.73637	1.1
193.05028	11.1
193.06654	1.7
193.08609	9.8
193.10251	2.4
193.12233	11.0
193.15887	100.0
194.15472	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	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.41697	0.8
53.03942	1.0
55.05512	7.5
57.07065	3.0
59.04993	2.5
63.91761	1.1
65.03935	1.0
67.05505	10.6
67.37302	0.8
69.07076	29.7
69.72762	3.0
69.73174	1.5
71.04995	14.2
78.32522	0.8
79.05495	6.2
81.03419	1.0
81.07069	23.5
82.71583	0.9
83.04982	1.8
83.08612	2.5
85.06543	10.0
91.05473	5.9
93.07047	24.8
95.04377	1.8
95.04977	28.8
95.08607	18.2
97.06546	5.5
97.10187	10.5
99.08092	6.0
105.07046	12.6
107.08606	28.1
109.06525	100.0
109.10165	19.5
111.04373	0.9
111.08090	4.4
111.11711	2.7
115.05431	1.0
117.06981	1.1
119.08594	24.7
121.10158	8.0
123.08076	6.6
123.11726	21.5
125.09672	1.2
128.96376	1.6
131.08591	1.4
133.06540	1.5
133.09131	1.1
133.10136	24.3
135.11702	32.1
136.96747	0.8
137.09622	15.3
146.97447	4.1
147.11737	4.4
149.13271	12.6
150.10387	1.3
151.11188	5.1
169.99036	1.7
175.14842	43.7
179.55516	1.0
193.04971	3.8
193.08525	1.7
193.10152	1.7
193.12263	2.1
193.15897	69.9
194.15498	1.1
198.92102	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
50.44475	1.7
53.03943	3.1
55.01852	2.8
55.05516	22.3
57.03427	3.2
57.07064	6.0
65.03934	2.9
67.05508	27.7
69.03423	8.3
69.07074	22.6
70.42135	4.1
70.42503	3.8
77.03925	2.2
77.46018	2.6
79.05500	16.0
81.03423	11.6
81.07062	32.7
83.04994	20.2
83.08632	9.7
85.06541	6.0
91.05482	18.5
93.07055	28.2
95.04961	10.0
95.08618	57.0
97.06527	3.9
99.08067	3.1
103.05461	3.3
105.07041	63.1
107.08607	49.0
109.06526	13.9
109.10166	74.7
111.08106	9.0
115.05470	7.7
117.07069	4.5
118.04181	3.5
119.08590	78.4
121.10150	25.6
123.04500	2.6
123.08076	30.3
123.11721	8.2
125.09671	2.5
129.07005	2.3
131.08525	2.4
133.06503	35.5
133.09131	3.5
133.10143	73.1
135.11703	100.0
137.09634	27.8
138.10422	4.0
143.05005	2.0
143.06075	3.9
145.10190	2.2
147.10582	2.8
147.11691	17.1
149.02325	1.9
149.13290	18.2
151.11209	8.1
151.14807	6.6
157.10143	3.8
160.12433	2.5
161.05994	39.2
175.07571	2.0
175.11302	4.7
175.14848	68.9
193.04999	10.5
193.08591	13.1
193.12253	9.8
193.15915	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1591
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.01596	1.4
52.01927	1.8
53.03947	7.6
55.01863	5.7
55.05273	1.7
55.05516	25.6
56.29620	1.4
57.03432	5.8
57.07067	6.8
59.05011	1.9
61.77549	1.3
62.05678	1.4
62.88027	1.4
64.27108	1.7
65.03934	5.0
67.05513	48.9
69.03432	5.7
69.07078	60.9
70.42273	1.9
70.42603	3.1
71.05000	8.9
77.57461	1.5
79.05069	2.7
79.05500	31.6
81.03429	100.0
81.07069	38.7
83.05005	7.5
83.08629	49.1
83.09126	2.7
85.02895	2.5
85.06545	4.7
86.89494	1.6
91.05489	40.6
93.07056	43.9
95.04982	48.3
95.08620	65.6
97.02892	3.0
97.06544	17.7
97.10175	2.6
98.97600	2.0
99.08076	3.0
103.05463	4.5
105.04494	2.3
105.07046	58.0
107.04976	9.3
107.08604	34.9
109.06528	24.5
109.10170	53.4
109.10927	2.4
111.04440	3.5
111.08088	8.8
111.11739	12.8
115.05477	6.9
117.06998	2.9
118.04147	2.1
119.04987	1.9
119.08598	59.7
121.06527	3.8
121.10154	22.1
123.08092	13.0
123.11741	8.4
128.06209	1.7
129.07027	9.0
131.08603	10.9
133.06509	27.3
133.09122	3.6
133.10139	66.6
135.08055	2.2
135.10706	2.5
135.11713	42.6
137.09618	17.2
142.07761	3.6
145.10187	4.1
147.08109	9.5
147.11708	21.4
148.99756	1.5
149.02371	5.1
149.09621	7.0
149.13286	7.9
151.11186	3.9
151.14838	3.3
157.02592	1.5
157.10132	10.7
161.06017	23.7
165.12799	4.1
165.16385	2.1
170.53917	1.6
175.07513	2.0
175.11295	12.2
175.14845	72.6
178.07782	2.2
193.04941	14.1
193.08624	15.1
193.12274	22.6
193.14000	3.3
193.15916	62.2
193.17647	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	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.3
51.28165	0.9
53.03940	4.1
55.01864	4.8
55.05511	16.2
57.03423	4.1
57.07063	3.1
59.04995	2.3
60.06766	1.0
61.39812	1.1
63.15023	1.0
65.03944	6.4
65.04243	1.0
67.05509	35.8
68.99778	1.1
69.03428	10.1
69.06722	1.5
69.07075	15.9
71.04990	4.0
71.52906	2.0
77.03931	1.1
78.17216	0.9
79.05495	32.5
81.03422	100.0
81.07057	37.4
83.04985	12.0
83.08624	17.8
85.02887	1.5
85.06548	6.8
91.05488	44.3
92.06297	1.1
93.03379	1.3
93.07045	32.5
95.04972	46.5
95.08614	34.3
95.09236	1.2
97.02893	4.0
97.06518	5.1
97.10177	2.3
99.08102	16.1
103.05475	10.8
104.06261	1.6
105.07034	91.7
107.04970	14.1
107.08600	27.9
109.06522	14.0
109.10157	26.6
111.04427	6.7
111.08081	6.3
115.05447	7.9
117.07008	4.7
118.04166	5.9
119.04960	2.9
119.08589	51.3
120.05715	1.8
121.06490	4.3
121.10163	11.8
123.04420	2.6
123.08075	9.5
123.11708	9.1
125.09638	1.4
129.05498	5.9
129.07013	8.5
131.08592	13.5
132.05722	1.4
133.02846	1.4
133.06503	31.5
133.10135	90.1
135.04390	2.4
135.08078	3.6
135.11702	28.8
137.05998	8.3
137.09616	11.7
139.03944	1.8
142.07793	4.1
143.06076	1.6
145.10136	2.0
146.97426	2.0
147.04419	3.2
147.06451	1.7
147.08037	10.1
147.11700	28.0
149.02399	9.6
149.03470	2.4
149.05966	1.1
149.09602	5.1
149.13248	11.3
150.06812	6.2
151.07520	2.4
151.11177	6.9
151.14807	1.7
157.10100	8.7
161.05997	17.2
165.05568	1.5
165.09131	10.9
165.12805	1.6
175.03902	2.2
175.07574	5.4
175.11191	14.3
175.14832	40.2
178.02576	2.2
193.04967	19.7
193.08624	23.4
193.10207	1.1
193.12251	27.1
193.15894	54.9
194.15411	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
55.01860	2.2
55.05516	37.5
57.03426	3.5
57.07058	5.6
59.04991	3.2
67.05181	2.0
67.05505	25.7
67.96906	1.4
69.03432	3.0
69.07069	16.5
70.11692	4.8
70.12096	2.7
71.04971	4.9
71.08602	2.6
79.05469	7.3
81.03439	1.7
81.06663	2.0
81.07059	27.0
83.04971	17.1
83.08630	10.6
85.06545	20.3
85.10181	2.3
91.05482	8.2
91.05939	1.5
93.07035	21.6
95.04960	4.4
95.08604	51.6
97.06518	5.8
97.10192	8.9
99.08096	37.4
99.08748	1.8
102.47134	1.5
103.05402	1.5
105.07036	14.1
107.08592	29.7
109.06517	10.6
109.10153	75.8
111.08070	5.7
112.87731	1.5
119.08576	30.7
121.10141	65.2
122.07301	3.4
123.08064	13.9
123.11700	23.3
125.09638	2.5
133.10132	77.8
135.11684	35.8
137.09616	56.6
137.13248	5.5
138.10434	1.6
147.11667	5.3
149.13261	8.5
151.11160	7.8
151.14809	11.8
161.06027	2.2
165.16371	17.5
175.11168	1.7
175.14807	31.2
193.04999	3.5
193.06889	1.5
193.08664	4.9
193.15881	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
54.84437	1.7
55.05508	17.5
57.07066	4.2
59.05006	1.6
67.05511	21.9
69.03415	5.1
69.07072	21.5
70.12485	1.6
71.04976	6.5
71.12840	2.7
78.63161	1.9
79.05488	13.9
81.07064	43.2
83.04984	11.0
83.08610	13.1
85.06573	3.8
91.05473	16.0
92.38998	1.8
93.07043	38.3
94.45301	2.0
95.04960	7.7
95.08611	66.5
97.06533	6.7
97.10193	2.9
99.08076	4.2
100.60835	1.7
105.07034	44.0
107.08598	44.3
109.06517	24.3
109.09473	3.3
109.10161	43.2
111.04482	1.8
111.08067	8.5
119.08589	67.7
121.10147	19.5
123.08078	20.0
123.11718	21.1
125.09625	3.6
131.08646	3.2
131.40628	1.9
133.06512	9.3
133.10130	45.6
135.11693	57.1
135.12723	2.9
137.09604	22.9
147.11682	14.3
149.13261	28.0
151.11188	8.6
151.14844	7.7
153.51819	2.3
160.12508	1.9
161.06007	9.1
165.16423	2.2
175.14827	75.1
193.04991	1.9
193.15886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03941	4.8
55.01867	4.9
55.05517	51.7
57.03420	2.2
57.07064	3.3
59.04996	5.1
62.84795	1.5
64.13748	1.7
65.03957	1.4
67.05513	28.0
69.03429	4.4
69.06733	1.8
69.07074	26.1
69.53197	2.4
69.53610	7.5
71.04990	4.5
76.57013	1.7
77.03923	2.3
77.44400	1.4
79.05499	24.7
81.03436	3.0
81.06590	3.0
81.07064	55.5
83.04990	100.0
83.08617	4.7
85.06542	3.5
91.05474	13.2
93.07049	19.7
95.04968	6.2
95.08615	25.7
97.06529	4.0
99.08070	1.9
103.05482	7.1
105.07042	52.7
107.04936	1.9
107.08600	22.1
109.06543	12.7
109.10164	42.9
111.08083	5.8
111.11735	3.1
115.05454	6.3
118.04140	4.0
119.04966	1.8
119.08598	30.0
121.06562	2.7
121.10127	7.8
123.08067	12.2
123.11716	9.2
125.09628	2.7
127.07590	1.8
131.04927	1.9
131.08582	5.6
132.05719	1.4
133.06499	32.2
133.09132	2.5
133.10139	47.8
135.11702	27.8
137.05984	9.5
137.09622	18.6
143.06000	1.8
146.97403	2.1
147.04404	2.3
147.08060	2.5
147.11685	11.3
149.13290	4.4
151.11186	3.4
151.14841	1.5
160.09082	1.5
161.05995	38.7
165.16383	1.5
175.11263	3.6
175.14848	30.7
178.06226	2.8
193.04985	8.6
193.08603	16.2
193.12254	8.3
193.15898	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	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
52.61330	2.1
53.03950	8.1
55.01863	4.1
55.05510	6.6
57.03439	100.0
58.47549	1.6
63.67228	2.1
65.03931	3.9
67.05506	19.9
69.03426	3.1
69.07063	2.8
70.57777	3.8
70.58110	3.6
71.04983	4.4
75.04484	2.2
77.03903	2.3
78.52319	1.8
79.04778	1.7
79.05489	19.3
81.03423	20.7
81.07058	16.7
83.04985	5.9
83.08628	2.3
85.06571	10.8
89.04592	1.6
89.91756	1.7
91.05483	66.1
93.07043	68.6
95.04975	22.0
95.08608	9.8
97.06528	3.6
99.04432	1.7
99.08154	2.3
103.05457	3.4
105.07036	61.0
107.04935	2.9
107.08607	12.8
109.06515	8.2
109.10170	14.3
111.08085	2.3
115.05457	4.3
117.07018	12.0
119.04969	2.0
119.08588	94.0
121.06502	59.5
121.10146	2.9
123.04407	2.3
123.08079	2.1
129.07022	6.1
131.05020	3.0
131.08568	4.4
133.06483	20.6
133.10143	38.3
135.08073	5.2
135.11708	5.0
137.05989	2.3
137.09618	28.7
142.07747	9.3
145.06508	4.0
145.10106	2.9
146.07281	16.3
146.97421	4.1
147.08055	37.2
147.11690	45.3
147.12814	3.2
149.02408	2.2
149.09633	2.2
149.13315	2.8
151.07523	2.2
157.10135	10.9
160.08856	6.5
161.06026	13.2
165.12840	2.1
175.11189	58.0
175.14793	8.9
180.02142	1.9
193.04955	13.6
193.08594	5.2
193.10458	3.5
193.12206	24.1
193.15921	6.2
208.08571	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	3,4,-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
55.01889	0.8
55.05517	5.3
57.03438	1.7
57.07062	0.5
57.95212	0.5
59.05022	0.7
63.63361	0.5
65.03969	1.1
67.05504	4.5
68.99799	13.1
69.03428	1.0
69.07081	2.6
70.37701	0.8
71.05025	0.6
79.05504	2.6
81.03425	2.2
81.07063	10.8
83.04987	1.3
83.08646	0.9
90.29788	0.5
91.05493	4.1
93.07056	1.5
95.04987	3.6
95.08610	3.4
96.11040	0.4
97.06541	1.8
101.10969	0.5
102.58801	0.5
103.05446	0.6
105.07035	4.6
107.04951	1.4
107.08614	4.5
109.06528	23.7
109.10139	2.3
111.00795	2.3
111.04472	0.6
117.07086	0.6
119.04981	1.0
119.08600	4.6
121.06516	2.7
121.10145	1.1
123.04441	78.1
123.08067	14.9
123.11664	0.7
124.04742	0.5
125.09637	6.3
129.07004	2.8
133.06531	1.3
133.10147	3.9
135.11682	2.9
137.02313	1.1
137.05988	9.8
137.09602	2.3
139.03914	7.6
147.08063	5.0
147.11725	0.8
149.05978	5.3
151.03918	8.5
151.07552	9.5
153.05518	0.6
157.06544	0.7
160.05222	2.9
161.06000	0.7
163.03940	1.6
164.04720	8.6
165.05484	4.6
165.09129	30.2
173.54398	0.5
175.07561	16.7
175.14859	2.8
178.06299	1.8
193.08624	100.0
193.15813	4.3
194.09027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03949	1.4
55.01878	3.9
55.05508	1.8
57.03443	0.8
59.05000	2.2
61.87272	0.5
65.58952	0.4
67.05507	4.0
69.03428	2.6
69.07082	1.7
71.05024	0.6
77.03955	0.7
79.05502	11.1
79.64906	0.4
81.03438	2.6
81.07068	3.8
81.57065	0.4
83.04996	2.2
83.08617	0.8
85.02896	0.6
85.06544	1.0
89.03929	0.6
90.04742	0.6
91.05488	13.3
91.06026	1.0
93.07050	3.9
95.04993	3.5
95.08592	2.4
97.02908	0.5
98.97588	0.8
99.08094	0.8
103.05480	10.5
104.06271	0.6
105.07040	92.9
107.04977	1.1
107.08604	2.7
109.06546	3.4
109.10188	3.5
111.04444	2.1
115.05468	16.0
117.07041	1.1
118.04166	8.5
118.04950	0.9
119.04936	0.7
119.08593	5.9
121.06489	0.8
121.10139	1.3
121.67270	0.4
123.04469	0.5
123.08078	1.1
123.11749	0.9
124.45176	0.5
129.05502	1.1
129.06963	0.8
131.04921	2.4
131.08565	2.9
132.05746	1.2
133.06505	76.2
133.10138	28.9
134.06848	0.8
134.10492	0.7
135.08078	1.4
135.11696	2.2
137.05992	1.8
137.09607	2.1
143.04915	1.7
143.06052	6.7
145.10150	0.6
147.04411	1.8
147.08072	1.7
147.11697	6.2
149.05989	0.8
149.09622	1.0
151.03928	0.5
151.11182	1.3
157.10158	0.9
160.08855	0.9
161.05995	100.0
162.06308	0.5
165.05487	1.3
165.12740	0.5
175.03915	1.0
175.07527	0.8
175.11194	4.2
175.14934	3.1
178.02617	0.7
178.06320	1.1
193.04970	6.3
193.08614	15.4
193.12256	8.5
193.15930	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	193.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.01864	2.5
55.05515	2.3
56.96568	0.6
57.03450	0.6
59.05007	1.9
65.03963	0.7
67.05524	4.1
69.03445	1.6
69.07072	1.6
70.88445	0.7
70.88770	0.7
71.04992	0.5
77.03947	0.7
79.05502	12.0
81.03433	1.6
81.07072	3.9
83.04990	1.9
83.08578	0.6
85.06564	2.2
85.54115	0.6
90.04740	0.7
91.05488	13.0
92.02646	0.5
93.07072	3.0
95.04990	3.1
95.08602	3.0
99.08109	1.9
102.04713	0.6
103.05478	11.8
104.06277	0.7
105.03406	0.7
105.07043	89.0
106.07386	0.5
107.04976	0.9
107.08009	0.6
107.08614	4.0
109.06517	2.0
109.10165	4.5
111.04494	1.1
115.05471	19.9
115.06286	1.0
118.04184	8.6
119.05001	0.9
119.08588	5.1
121.10147	1.5
123.08121	0.6
123.11728	0.6
126.02926	0.5
127.07586	0.9
129.05492	1.0
129.06987	0.6
129.56244	0.6
131.04956	3.4
131.08600	4.0
132.05713	1.5
133.06508	71.6
133.10143	34.7
134.06834	1.4
135.11694	3.4
137.05971	1.5
137.09647	2.0
143.04951	1.7
143.06053	6.9
147.04391	1.1
147.06503	0.6
147.08072	0.6
147.11710	6.2
151.07593	0.7
151.11205	1.3
157.10181	0.8
161.05998	100.0
162.06422	1.1
165.05457	0.7
175.03925	1.0
175.11201	3.5
175.14854	2.2
178.02583	0.7
178.06262	1.6
193.05003	3.9
193.08609	14.8
193.12267	8.3
193.15907	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	193.0496
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
55.01876	0.3
67.01865	2.0
67.05492	0.7
68.99802	1.2
69.03420	0.4
69.07062	0.2
70.58015	0.4
70.58353	0.3
79.05478	0.7
81.03416	0.5
81.07048	0.5
83.04992	0.5
85.02914	1.4
87.03804	0.2
91.05483	1.9
93.07028	0.6
95.04956	0.8
98.20876	0.2
99.08100	0.4
103.05470	0.2
104.76244	0.2
105.07043	2.3
107.08601	0.5
109.02923	0.4
109.10146	0.5
111.04459	0.3
119.04960	0.5
119.08569	0.9
123.04427	0.4
125.02303	0.3
125.06013	1.1
127.03896	0.7
129.05463	0.3
131.08545	0.5
133.02940	0.2
133.06487	0.8
133.10138	4.3
135.11685	0.4
137.05988	0.4
147.04407	2.0
147.08084	0.3
147.11703	0.8
149.09579	0.2
151.03917	1.0
153.01855	2.2
161.05980	1.0
165.05498	0.3
169.04973	0.9
175.03928	0.5
175.07501	0.4
175.11182	0.7
175.14796	0.3
193.04974	100.0
193.12051	1.1
193.15880	0.5
193.83395	0.2
194.05290	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03950	2.6
55.05518	29.4
55.27608	1.9
55.44674	2.0
55.63200	1.9
57.07070	7.8
67.05500	13.9
69.03418	3.6
69.07073	48.4
69.98672	9.2
79.05495	16.5
81.07062	55.6
83.08630	31.2
91.05488	14.9
93.07045	51.6
95.08613	57.6
97.10175	26.4
105.07030	14.5
107.08603	100.0
109.06520	4.0
109.09486	1.8
109.10167	39.7
111.11737	2.7
112.74825	1.9
117.07032	3.9
118.06582	2.3
119.08593	4.8
121.06491	2.3
121.10155	85.8
122.72784	2.1
123.08070	3.5
123.11701	8.2
131.08603	5.5
133.10126	7.8
135.08061	6.6
135.11700	91.8
135.51398	1.9
145.10112	5.3
147.11681	3.5
148.08632	2.1
149.09573	2.8
149.13260	20.4
160.05121	3.6
173.13335	5.6
191.10693	6.6
191.14301	29.4
191.17955	75.1
213.39931	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	191.1796
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
52.78159	1.5
53.03934	2.8
55.05518	23.2
57.07083	9.1
57.45202	1.6
67.05511	24.1
69.03419	3.7
69.07076	27.7
69.38331	14.7
79.05497	24.3
81.06592	2.7
81.07065	54.5
83.04997	2.4
83.08625	19.5
85.02888	1.8
91.05489	15.9
93.07053	48.5
95.04970	3.4
95.08621	90.0
97.10174	21.5
98.20720	3.6
102.09312	2.2
105.07037	11.6
107.04979	3.4
107.07874	4.0
107.08604	79.4
108.90485	2.2
109.06538	5.7
109.10163	61.2
111.11753	5.1
117.07018	3.3
119.08582	6.8
121.06487	7.3
121.10158	93.4
123.08090	4.0
123.11707	9.8
130.07813	1.8
131.08600	8.9
133.10173	8.2
135.08075	13.9
135.11702	86.4
145.10161	7.1
147.11691	4.2
149.09622	6.7
149.13257	19.3
161.09637	6.0
163.11180	6.9
163.14832	4.0
173.09622	2.5
173.13257	9.2
176.11952	4.3
191.03349	2.0
191.06993	4.1
191.10712	10.6
191.14337	96.6
191.17964	100.0
192.06544	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.68266	0.8
53.03938	1.4
55.01868	1.1
55.05511	6.0
57.03434	1.4
57.07074	2.0
59.04984	1.4
65.03928	1.7
67.05180	1.4
67.05508	23.7
69.03410	3.2
69.07067	12.6
71.04597	1.7
71.04993	33.6
71.39452	1.7
79.05489	14.0
81.07056	14.3
83.04958	2.4
83.08613	3.7
84.98771	0.8
85.06543	12.6
91.05479	17.9
93.07042	17.5
95.04972	10.5
95.08611	16.9
97.06526	11.3
97.10131	1.0
99.08022	1.2
103.05469	2.0
105.07030	34.8
107.04950	1.9
107.08595	54.7
109.06517	52.3
109.07273	2.0
109.10155	74.8
111.08072	2.7
115.05453	1.6
116.06243	1.3
117.06998	5.8
119.06095	0.9
119.08592	13.5
120.09464	0.9
121.06508	7.1
121.10146	54.9
123.08068	29.1
123.95055	0.9
129.06973	2.9
130.07838	1.4
131.08565	44.2
133.06514	1.2
133.10130	33.3
135.08052	57.9
135.11667	8.3
143.08556	4.3
144.09348	1.1
145.10121	14.5
147.07996	1.7
147.11673	18.1
148.08847	1.9
149.05965	1.1
149.09604	8.6
149.13254	12.4
150.10411	1.7
155.01495	0.9
158.10913	8.0
160.65752	0.9
161.09639	1.1
163.11191	1.5
163.14813	2.0
173.06065	1.0
173.13266	48.8
176.11987	1.1
191.03345	1.7
191.06972	1.6
191.10745	4.2
191.14302	100.0
191.17877	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.19093	0.3
53.03958	0.4
53.35007	0.3
54.86691	0.3
55.05511	2.9
55.13289	0.4
57.07074	0.7
58.18023	0.3
59.05014	0.4
65.03951	0.4
67.05505	4.1
69.03435	16.4
69.07072	5.5
69.12500	0.3
69.63617	1.9
71.04996	0.7
71.52132	0.3
79.05510	3.3
81.07066	5.0
83.04984	4.6
83.08620	1.2
85.06541	1.9
89.67401	0.3
91.05482	3.8
93.07049	5.4
95.04964	1.2
95.08614	14.4
97.06537	4.5
98.21499	0.6
105.07043	5.8
107.04961	0.9
107.07879	0.7
107.08601	13.2
109.05801	0.6
109.06523	9.0
109.10159	3.1
111.08076	0.8
115.05467	0.4
117.07017	1.1
119.08588	5.6
121.06518	3.9
121.10143	9.9
123.08068	3.3
129.06999	0.8
130.07809	0.3
131.04950	0.7
131.08572	12.3
133.07622	0.3
133.10129	8.7
135.08066	14.6
135.11694	5.5
136.08815	1.2
137.09616	0.6
143.08569	3.0
144.09364	0.8
145.10135	7.2
145.15529	0.3
147.07979	0.5
147.11723	4.1
148.12396	0.4
149.06036	0.7
149.09633	12.5
149.13272	4.8
150.10434	2.5
158.10916	7.5
161.09598	2.5
163.11200	5.0
163.14839	4.3
171.11696	0.7
173.09686	0.3
173.13274	35.7
176.11992	3.1
191.14317	100.0
192.14642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17442	1.1
55.01859	3.3
55.05501	4.0
57.07083	2.0
59.05002	1.1
65.03934	1.5
67.05186	1.3
67.05515	17.9
69.03154	0.9
69.03444	12.4
69.07077	8.9
70.55465	3.6
71.04998	12.6
79.05500	12.7
81.03436	1.1
81.07067	15.0
83.04976	2.9
83.08620	3.6
85.06556	5.1
91.05480	15.2
93.07052	12.6
95.04986	12.3
95.08617	14.0
97.06548	5.9
103.05480	0.9
105.07043	25.2
107.04961	3.7
107.08607	30.7
109.06530	73.8
109.10168	74.4
109.95663	1.0
111.08075	1.4
115.05470	2.6
116.06252	1.5
117.07032	7.9
119.08610	11.6
121.06521	4.9
121.10153	19.8
122.07298	1.1
123.08086	15.0
129.07008	3.2
130.07796	1.0
131.06960	2.0
131.08580	37.2
133.06467	2.4
133.10144	60.1
135.08067	79.3
135.11662	4.8
137.09608	5.2
143.02000	1.0
143.08572	4.2
144.09389	1.6
145.08398	1.2
145.10132	14.3
147.08034	2.2
147.11703	8.4
148.08810	1.8
149.09644	13.4
149.13269	9.8
150.10423	3.2
150.62848	1.0
158.10942	8.3
160.65768	1.2
161.09688	4.7
162.10426	1.5
163.11224	2.6
163.14803	2.9
166.05183	1.0
173.09691	1.3
173.13281	49.4
176.11986	1.8
178.94540	0.9
191.07098	2.1
191.10654	3.7
191.14326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.27157	0.4
55.01870	0.5
55.05525	2.5
57.03430	0.5
57.07073	0.8
57.50645	0.5
67.05507	1.3
69.03442	7.1
69.07087	3.9
70.58519	1.2
71.04982	0.5
79.05516	2.3
81.07068	1.4
83.05000	8.1
83.08620	1.2
85.06567	1.0
91.05499	3.0
93.07073	2.8
95.05002	0.7
95.08609	1.9
97.06519	1.1
101.07679	0.4
105.07043	4.1
107.04948	0.7
107.08610	15.3
109.06551	1.3
109.10156	0.7
117.07037	0.7
119.08598	2.8
121.06496	2.8
121.10165	7.0
131.08583	6.5
133.10158	10.3
135.08073	6.6
135.11688	1.2
137.09654	0.8
143.08588	2.2
145.10135	3.1
147.11737	3.5
149.09622	2.9
149.13330	2.8
158.10915	3.1
161.09642	4.1
163.14783	1.2
173.13283	10.4
176.11983	1.9
191.14334	100.0
192.14665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03943	7.8
55.05499	11.8
55.87758	2.4
57.07061	8.2
59.15352	2.6
65.03921	5.0
67.05510	13.6
69.03432	18.6
69.07076	19.1
70.77006	3.7
70.77326	4.8
71.04993	3.6
77.03927	2.8
79.05500	35.1
81.07053	17.1
83.04950	3.8
85.06529	3.5
91.05486	93.0
93.07047	34.7
95.04992	5.8
95.08598	9.4
103.05452	3.1
105.07038	97.7
107.08595	77.4
109.06549	7.2
109.24955	2.7
115.05440	10.8
116.06207	7.9
117.07029	40.8
119.08583	81.4
121.06488	9.2
121.09328	5.1
121.10152	68.1
123.08070	5.5
128.06224	11.7
129.07008	42.8
130.07819	14.3
131.08575	100.0
132.09355	3.6
133.07587	3.5
133.10135	36.9
135.08049	23.0
135.11693	5.8
142.07715	3.0
143.07500	5.3
143.08563	68.3
144.09351	24.2
145.10120	72.2
147.11678	44.6
149.09596	12.8
149.13269	39.5
157.10129	4.6
158.10913	55.8
161.09590	5.5
163.11261	4.1
163.14787	3.8
173.13271	65.2
191.14310	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05497	3.7
57.03436	2.4
65.03935	1.5
67.05496	5.2
69.03436	2.7
69.07082	7.0
70.58031	3.5
71.04986	2.8
75.56635	1.1
79.05499	9.8
81.07062	9.5
83.04975	1.7
83.08619	3.9
85.06542	3.4
91.05487	15.7
93.07056	14.4
95.04975	2.3
95.08595	9.1
97.06522	4.9
103.05444	2.2
105.07041	43.3
107.04932	2.1
107.08599	38.5
109.06507	14.1
109.10172	12.3
115.05415	1.4
117.07078	6.0
119.08588	25.3
121.06542	2.0
121.09342	1.8
121.10155	22.8
123.08047	4.7
123.11683	3.6
129.06996	4.4
130.07751	1.8
131.02733	1.1
131.08577	41.0
133.10144	100.0
134.88391	1.2
135.08086	16.2
135.11678	5.3
135.15161	1.1
141.04820	1.2
143.08549	8.1
144.09334	3.2
145.10129	20.1
147.11707	17.6
149.09619	4.8
149.13266	27.6
158.10936	12.0
160.65674	2.1
163.11174	3.8
163.14828	4.5
173.05956	2.2
173.13277	65.4
182.67029	1.4
191.07018	1.8
191.10756	1.8
191.14314	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01874	1.5
55.05511	6.1
57.03435	1.4
57.07069	3.2
58.06604	2.3
59.04987	1.0
65.03920	1.3
67.05508	8.3
69.03439	16.0
69.07077	10.0
69.50071	6.5
71.02275	0.9
71.04981	4.1
79.05504	8.4
81.07063	19.7
83.04977	10.8
83.08611	2.9
84.08117	1.8
85.06537	5.6
91.05482	17.1
93.07042	13.7
95.04980	3.4
95.08609	20.5
97.06541	5.1
99.08134	1.3
103.05466	3.5
105.07037	28.8
107.04966	3.7
107.08598	31.8
107.09313	1.9
109.06521	4.5
109.10165	5.7
111.08052	1.7
112.11264	1.9
113.09642	5.9
115.05458	1.3
116.06244	1.4
117.07010	6.5
118.06557	3.4
119.08585	17.7
121.06526	4.9
121.09327	1.8
121.10142	20.4
123.08039	4.6
128.06229	1.0
129.06990	3.1
130.07779	2.2
131.04909	1.9
131.08572	41.1
133.06534	1.5
133.10133	42.1
135.08063	15.8
135.11668	5.6
137.09601	1.0
137.13313	2.2
143.08577	5.9
144.09343	2.1
145.06549	1.6
145.10136	19.6
146.06029	1.8
147.11697	18.5
148.05217	1.1
148.08932	1.2
149.05983	1.1
149.09621	10.3
149.13283	9.9
155.14267	1.2
158.10915	9.5
160.65712	2.6
161.09654	3.1
161.13261	2.6
163.07542	4.1
163.08737	1.8
163.11174	2.2
163.14824	5.8
166.15958	1.4
173.09537	2.2
173.13266	32.0
176.04846	0.9
176.12036	1.6
191.03316	1.2
191.07005	5.8
191.10712	10.0
191.14320	100.0
191.17938	2.8
192.14836	1.1
210.18597	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03934	2.1
55.01863	2.8
55.05515	8.9
56.96560	3.8
57.03429	2.5
57.07057	2.5
57.13972	1.0
57.26201	1.1
59.04995	2.2
64.45447	1.2
65.03942	1.9
67.05515	12.7
69.03422	4.0
69.07072	16.4
70.00960	4.3
71.04997	7.2
72.24653	1.1
79.05504	11.8
81.07062	15.8
83.04977	3.2
83.08624	16.8
85.02923	2.5
85.06540	5.2
91.05485	20.2
93.07049	13.8
95.04968	10.3
95.08614	10.9
97.02885	2.0
97.06527	8.2
98.97598	3.2
99.16100	1.0
102.83971	1.2
103.05470	1.7
105.07040	37.0
106.06503	2.3
107.04953	4.1
107.08600	26.2
109.06528	33.0
109.10165	37.5
112.11161	1.1
114.26541	1.2
115.05439	2.3
116.06223	1.1
116.98596	1.7
117.07038	10.9
119.04910	1.2
119.08594	15.0
121.02869	6.3
121.06496	4.7
121.09476	1.2
121.10167	14.6
123.08088	8.3
123.11716	25.6
129.06984	4.5
130.07794	1.6
131.00151	1.1
131.04927	4.4
131.08578	45.6
132.95811	1.4
133.10139	100.0
135.08063	48.9
135.11644	2.5
143.08566	5.1
144.09328	2.0
145.06520	7.7
145.07555	1.7
145.10117	20.5
146.05980	2.3
147.11703	16.7
149.06009	1.7
149.09666	9.8
149.13245	8.2
150.10385	1.4
158.10939	9.3
160.65691	3.4
161.09666	1.3
163.04066	1.1
163.05838	7.3
163.07500	3.4
163.11156	3.0
163.14812	4.5
173.05952	1.6
173.13275	51.3
176.11882	1.9
188.54991	1.1
191.03435	3.2
191.05338	5.2
191.07072	4.8
191.10689	5.3
191.14311	70.0
192.06442	1.2
213.00772	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	190.0501
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
58.83421	0.2
65.47601	0.2
68.69114	0.3
69.77871	0.2
70.97382	0.6
87.64118	0.3
89.03950	0.9
110.51069	0.2
116.04996	2.5
136.85529	0.3
144.04456	3.3
153.73956	0.3
162.05524	100.0
163.05893	0.8
164.05994	0.3
190.05019	45.6
191.05273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.01867	3.4
55.05506	1.3
56.28326	0.5
65.36761	0.5
67.05502	0.9
67.34823	0.5
69.03423	1.1
69.07069	14.5
69.88589	1.2
69.88976	1.3
71.04996	0.7
79.05486	1.9
81.07047	1.5
83.04958	1.4
90.78294	0.5
91.05481	3.7
93.07050	12.2
95.04968	0.9
95.08603	2.8
97.06508	1.5
105.07027	4.8
107.08596	10.4
109.06515	4.1
109.10173	4.3
115.74157	0.5
117.07019	1.2
119.08579	2.6
121.06513	15.7
121.10144	8.2
122.55237	0.6
123.08061	2.2
131.08585	5.2
133.10153	7.7
135.08057	10.2
135.11679	3.8
143.08575	0.8
145.10133	4.0
147.11696	24.0
149.05989	1.0
149.09605	3.7
149.13246	6.3
158.10889	2.0
161.09624	5.9
163.11139	1.0
163.14827	1.4
173.09663	1.0
173.13269	9.7
176.11961	2.1
176.15559	0.6
191.10664	2.0
191.14316	100.0
192.14743	0.6
204.92885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
55.05516	8.9
67.05511	10.7
69.03415	3.8
69.07063	6.1
71.53773	2.0
72.31760	1.3
79.05508	7.8
81.06590	1.9
81.07058	26.6
83.08616	4.5
91.05486	35.7
93.07045	11.2
94.29256	1.3
95.08604	22.2
104.73360	1.4
105.07035	61.4
106.96566	1.7
107.08588	18.2
109.06520	1.9
109.10163	17.8
115.05386	2.1
117.07035	3.5
119.08585	43.6
121.06573	1.4
121.10163	7.7
128.06235	2.5
129.07040	3.3
131.08597	8.6
133.06517	2.2
133.10136	100.0
143.08522	4.6
145.10115	4.1
146.10905	1.9
147.08067	12.2
147.11687	26.8
156.09354	4.5
161.09561	2.4
161.13252	10.7
171.08124	2.4
171.11652	6.5
174.10400	1.6
189.05394	3.5
189.09151	4.6
189.12682	23.1
189.16382	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03938	2.0
55.01867	0.8
55.05520	5.7
57.07071	1.7
59.04993	0.5
67.05178	0.9
67.05509	12.2
69.03433	1.7
69.07066	5.3
71.52612	0.7
77.03914	0.5
79.05059	1.0
79.05494	9.7
81.07060	36.9
83.04986	1.0
83.08612	1.9
91.05488	21.5
93.07050	18.7
95.04977	2.2
95.08613	44.0
97.06548	0.9
97.10159	0.6
103.05452	1.0
105.07036	65.5
106.90502	1.2
107.04966	0.8
107.08595	27.4
109.06524	2.5
109.10160	14.0
115.05461	1.5
117.07032	5.1
119.04945	0.9
119.08587	48.5
121.06506	2.8
121.10139	7.0
123.11669	0.9
128.06212	4.6
129.07022	4.5
130.07809	1.5
131.08578	10.4
132.09227	0.7
133.06497	3.4
133.10139	65.1
135.08089	1.8
141.06990	2.8
142.07785	1.5
143.08574	12.9
144.09328	1.1
145.06503	1.3
145.10133	12.6
146.07228	1.0
146.10869	1.2
147.08067	16.0
147.11697	32.4
150.33762	0.5
155.08589	1.3
156.09352	15.9
159.08061	4.3
159.11691	5.3
160.08844	3.4
160.12512	0.7
161.06020	0.6
161.09627	7.4
161.13274	22.8
171.08023	1.2
171.11708	24.8
172.11877	0.5
174.10451	6.1
174.13942	0.6
187.14792	0.8
189.09193	4.5
189.12764	76.1
189.16388	100.0
190.13177	0.6
190.16704	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.25413	1.2
54.08751	1.0
55.05510	10.7
57.07072	1.5
65.03922	1.5
67.05514	13.2
69.03432	1.2
69.07074	15.0
71.53555	2.0
79.05494	8.0
81.06591	1.9
81.07056	36.1
83.08618	5.6
91.05486	31.4
93.07049	14.1
94.53323	1.0
95.08608	35.8
97.02897	1.1
97.10162	3.1
105.07033	64.4
107.08600	25.8
109.10152	23.8
116.54926	1.3
117.07027	3.9
119.08582	55.2
121.10155	14.1
123.89731	1.1
123.90836	1.0
124.04623	1.4
128.06166	1.4
129.06978	1.5
131.08572	8.8
133.10135	100.0
143.08601	2.3
145.10115	7.7
146.10922	6.7
147.08041	2.9
147.11690	44.3
159.11758	2.1
160.12396	1.5
161.09679	1.2
161.13258	8.1
163.02856	1.7
171.07967	1.6
171.11760	1.9
189.05383	2.5
189.09145	3.5
189.12659	8.7
189.16386	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
55.05512	3.4
57.03439	1.1
57.07074	7.0
63.19410	0.6
65.03928	0.9
66.89319	0.6
67.05508	4.3
69.03435	6.9
69.07058	2.8
70.28290	1.8
71.05006	4.9
76.92764	0.6
77.60207	0.7
79.05513	3.5
81.07067	5.8
83.04980	2.2
83.08625	0.7
85.06568	3.0
91.05492	9.0
93.07054	4.7
95.04937	1.8
95.08613	1.3
97.06567	0.9
99.08096	1.5
103.05494	1.3
105.06326	1.0
105.07037	20.3
107.04941	2.4
107.08614	4.2
109.06526	0.9
109.10189	0.6
111.07999	0.6
115.05444	1.3
117.07040	3.2
119.04935	1.7
119.08591	32.2
121.06516	2.6
121.10136	1.5
128.06229	3.7
128.96423	0.6
129.07010	6.2
131.04994	1.0
131.08575	13.7
133.06487	4.0
133.10143	14.2
135.08072	4.5
135.11652	1.1
141.06992	2.3
142.07782	1.2
143.08600	5.2
144.09315	1.0
145.06511	2.5
145.10159	4.5
146.06125	0.6
146.07294	2.3
147.08052	16.8
147.11702	16.9
153.09111	1.0
155.08508	0.9
156.09351	13.1
157.06563	1.1
159.08060	11.5
159.11717	3.6
160.05219	0.9
160.08858	7.9
161.06015	5.0
161.09653	11.5
161.13271	20.2
161.14616	1.1
171.10269	1.5
171.11694	16.5
171.13287	0.9
171.13869	1.3
174.06763	2.1
174.10411	26.0
189.05481	2.4
189.09090	11.4
189.12758	100.0
190.13049	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.7
55.05505	1.9
62.84430	0.7
67.05495	1.3
69.03436	4.4
69.07066	1.5
69.16051	8.1
71.04927	0.6
77.03970	0.8
79.05484	2.0
81.07070	4.0
83.04961	0.8
85.02908	0.9
89.10128	0.8
91.05481	6.4
93.07039	3.0
101.02329	0.9
103.05440	1.0
104.64338	0.7
105.07038	12.8
107.08566	2.1
115.05444	1.7
117.07029	4.5
119.07806	1.3
119.08590	16.2
121.10159	1.2
128.06227	4.9
129.06163	1.1
129.07025	10.8
130.07774	3.2
131.04994	0.8
131.08562	8.1
133.06485	3.4
133.10101	5.6
141.06975	6.4
141.12621	0.8
143.08571	6.8
144.09315	2.2
145.06483	1.9
145.10129	21.4
146.07288	1.3
147.08057	9.0
147.11678	13.0
152.28778	0.9
155.08563	2.6
156.09348	49.5
157.06471	3.7
158.07297	1.8
159.08102	4.6
159.11707	15.3
160.08812	2.1
161.05966	2.2
161.09650	2.8
161.13246	3.4
171.11694	62.8
174.06793	8.7
174.10419	7.1
189.05435	1.7
189.09145	20.7
189.12746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
52.35866	0.3
61.11773	0.4
62.73938	0.3
70.66727	0.6
70.67091	0.8
89.16505	0.4
91.05472	3.3
115.05464	5.2
117.05769	1.0
117.07016	3.5
118.06551	56.3
119.06867	0.7
132.08127	0.7
142.06529	5.4
143.07309	9.6
143.50304	0.4
144.04430	1.0
144.08093	22.8
146.06018	100.0
147.06383	0.5
155.06033	0.9
160.07585	1.1
162.02731	0.4
170.06026	8.1
188.07080	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	188.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96287	0.4
56.02322	0.4
70.55569	1.4
80.40874	0.4
86.11744	0.5
87.52537	0.4
91.05482	3.3
94.91376	0.4
100.80082	0.4
103.05455	0.5
109.59305	0.5
115.05455	4.9
117.05776	0.7
117.07022	4.9
118.06548	58.8
119.06906	0.5
128.06200	0.4
132.08098	0.5
142.06520	5.1
143.07320	9.8
144.04453	0.9
144.08090	22.4
145.08507	0.4
145.78705	0.4
146.06013	100.0
147.06329	0.7
155.06056	1.3
160.07562	0.9
170.06001	7.8
176.05246	0.4
188.07071	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03954	0.6
55.05511	2.3
57.07080	4.2
65.03967	0.6
67.05509	3.5
69.07083	2.3
72.31908	0.5
77.78375	0.4
79.05496	6.5
81.03396	0.4
81.07060	13.1
83.08620	1.4
84.04553	0.6
84.08154	1.1
88.02225	4.3
91.05486	11.4
93.07053	14.5
95.08604	8.9
102.59794	0.5
103.05474	0.7
103.62370	0.5
105.07037	23.6
107.08604	10.0
109.10165	0.7
115.05477	2.1
116.06234	1.8
117.06374	0.3
117.07024	15.1
119.08593	15.9
121.10154	1.2
128.06227	1.1
129.07018	5.2
130.07806	5.1
131.08577	55.9
132.09331	2.0
132.65683	0.5
133.10146	4.1
141.07088	0.5
142.07700	0.8
143.08571	8.7
144.09377	3.4
145.10132	85.9
146.10695	0.8
154.07790	0.7
157.10156	3.7
158.07480	0.7
158.10928	4.2
159.08104	2.0
159.11702	30.1
169.10138	1.4
172.08795	1.4
172.12532	3.3
185.13283	0.6
187.03918	0.8
187.11281	9.0
187.14839	100.0
188.15164	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03907	1.4
53.81823	0.6
55.05511	3.4
57.07025	3.2
58.60880	0.5
63.47403	0.6
67.05507	5.0
69.07070	4.8
69.28185	0.6
69.84893	3.0
72.32869	0.6
79.05488	8.7
81.07056	18.8
83.08573	0.9
88.02209	2.8
91.05478	14.9
93.06493	1.0
93.07041	14.7
95.04953	1.4
95.08609	13.8
103.05412	1.1
105.07033	30.3
107.08597	14.1
109.10179	0.7
115.05414	2.4
115.34363	0.6
116.06200	1.5
117.07018	23.7
119.08579	21.4
121.10120	1.7
127.13058	0.8
128.06229	3.8
129.07004	9.2
130.07803	7.6
131.08566	66.0
132.09360	8.1
133.10123	6.3
141.06963	0.9
142.07767	1.7
143.08565	13.2
144.09355	5.6
145.06464	3.1
145.10121	82.3
146.10829	1.2
154.07710	1.3
157.06454	0.9
157.10115	5.8
158.07295	1.8
158.10921	6.2
159.08151	3.1
159.11694	37.6
160.12073	0.7
169.10164	2.4
172.08795	3.6
172.12486	5.2
185.13321	0.8
187.11221	26.4
187.14819	100.0
187.22446	1.0
188.15321	1.1
195.56511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
57.07072	0.3
60.70765	0.3
63.99469	0.3
64.29796	0.3
67.05511	1.6
69.03438	0.6
69.07027	0.4
69.51627	1.7
70.92735	0.3
71.04988	0.6
79.05469	0.9
79.47643	0.3
81.03432	0.7
81.07066	2.4
83.08618	0.9
84.08140	0.6
85.02917	0.5
85.06541	0.5
85.08462	0.3
85.27983	0.3
88.02222	3.0
91.05493	2.6
93.07038	0.6
95.08611	0.7
95.15805	0.3
105.07030	4.9
107.08595	0.5
109.02940	0.3
109.10150	0.6
111.66534	0.3
115.05448	1.5
116.06197	0.3
117.07008	3.7
119.08592	9.0
127.03962	0.4
127.13073	0.4
128.06201	1.8
129.07008	8.1
130.07820	1.7
131.04941	1.0
131.08585	8.3
132.86110	0.3
133.10175	0.7
141.07021	1.1
142.07768	0.8
143.08566	1.7
144.05624	0.5
144.09351	15.7
145.06499	0.6
145.10130	3.2
147.08044	0.6
154.07800	1.2
157.06494	0.5
157.10201	1.7
158.07297	0.8
159.08115	2.2
159.11705	29.1
160.12030	0.3
169.10143	2.2
169.12305	0.3
171.08075	0.7
172.05133	0.3
172.08847	11.5
173.00821	1.1
187.03923	2.0
187.07732	2.8
187.11194	100.0
188.11597	1.2
205.97507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.133
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
50.80751	0.9
53.03934	1.5
55.05503	3.2
57.07079	1.6
59.04992	1.8
67.05495	4.7
69.03416	2.9
69.07069	14.7
70.06599	7.7
71.04996	23.5
71.06929	4.9
71.38962	1.4
76.41088	0.9
79.05493	18.4
81.07057	100.0
83.04994	4.7
83.08618	1.4
85.06537	1.2
85.18874	0.8
87.08114	1.8
89.05996	1.7
91.05488	1.9
91.75593	0.9
93.07060	4.2
95.04953	1.8
95.08597	2.8
97.06544	5.8
97.10165	1.5
99.08096	4.9
101.05965	1.4
103.25079	1.1
105.07037	2.4
107.08601	12.7
109.06527	2.9
109.10163	16.7
111.08092	2.7
111.11719	8.1
121.10172	3.0
123.08027	1.0
123.11717	19.9
133.10127	2.9
139.11206	9.4
145.10208	0.9
151.11195	14.6
157.12325	5.2
164.17578	1.1
169.12262	7.4
170.50771	1.0
184.29665	0.9
187.11217	1.6
187.13159	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1326
Annotation	Chamazulene
Peak:m/z	Relative Intensity
53.03892	0.7
55.05428	2.0
55.05724	0.7
56.03833	0.3
69.03370	0.4
69.06998	0.8
70.11937	1.5
75.24545	0.3
79.05417	1.3
81.06992	0.6
84.08066	1.1
91.05494	2.6
93.07052	2.9
95.04865	0.4
103.05432	0.7
105.07034	8.0
107.08561	0.4
109.47389	0.4
115.05406	1.7
117.06972	1.7
119.08606	1.7
126.12777	1.0
128.06226	11.3
129.07016	18.8
130.07733	0.5
131.08589	2.2
141.06998	7.4
141.11870	0.4
142.06648	0.4
142.07793	22.4
143.08571	45.8
144.09389	2.6
145.10130	1.0
152.06151	0.4
154.07729	0.5
155.06026	1.0
155.08566	9.1
156.09366	14.8
157.10141	54.3
158.10498	0.6
165.07027	0.6
167.08534	0.9
168.09457	0.7
169.06468	0.4
169.10240	1.0
170.07333	1.8
170.10927	21.0
171.11357	0.5
183.11758	0.7
185.09677	15.6
185.13271	100.0
186.13676	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98830	0.2
52.76028	0.2
56.96564	0.3
68.05048	0.3
70.06596	100.0
71.04314	0.5
71.06934	0.5
73.40221	0.2
81.07041	0.3
81.25639	0.2
84.08151	0.7
85.02904	0.3
107.45147	0.2
114.05511	0.2
117.03436	0.5
123.11714	0.6
126.05531	0.2
126.12811	0.5
132.70717	0.2
145.02887	0.5
149.67987	0.2
151.03917	0.3
163.01848	0.4
167.71590	0.2
168.13867	3.6
168.23897	0.2
172.61021	0.2
179.00206	0.2
186.14929	3.0
208.13704	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	184.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93520	15.0
70.22667	20.1
70.67451	41.7
101.00867	29.4
119.01907	32.2
126.40073	17.6
175.81757	19.4
184.03711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.3
58.99852	0.1
60.00634	0.1
60.95121	0.1
70.48914	0.3
71.95261	0.4
74.96661	0.1
82.01447	0.3
82.99841	4.4
83.94101	0.1
100.02478	0.3
101.00885	44.6
101.95033	14.5
102.00948	0.8
102.96880	0.2
111.00428	0.3
118.03529	0.1
119.01925	100.0
119.96070	4.2
119.98782	0.2
120.01991	1.7
121.02393	0.5
124.02446	3.6
125.02586	0.2
133.03482	0.2
137.02959	19.1
137.97101	1.3
138.03064	0.3
142.03502	26.5
142.97668	0.3
143.01904	0.7
143.03609	1.2
155.98152	0.2
160.03177	0.1
160.04556	4.8
160.98714	0.9
161.02960	13.5
161.04315	0.6
162.03156	0.1
165.05061	0.6
175.63541	0.1
178.99760	0.2
179.04013	14.0
180.04085	0.2
184.04504	0.5
184.09763	0.1
202.05540	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	184.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96210	0.3
52.53918	0.4
55.66282	0.4
56.76826	0.4
56.96573	7.2
57.03443	0.9
58.41878	0.4
58.52845	0.4
59.05010	0.6
59.22934	0.4
61.02928	0.8
67.05520	0.5
69.03423	0.8
70.25504	0.7
70.25896	0.9
70.98138	1.2
71.04980	0.7
71.95269	0.9
73.02917	1.4
82.99844	6.3
84.96044	0.7
85.02915	1.5
89.00780	0.5
89.61218	0.4
97.02898	0.6
97.65215	0.4
98.97584	6.0
100.97186	0.4
101.00890	55.9
101.95040	17.2
101.97182	2.1
102.00972	1.3
102.96885	4.4
103.02341	0.9
110.01321	1.1
110.97599	1.0
111.00343	0.4
112.99155	0.7
115.00669	0.6
116.98618	1.4
117.02030	0.6
118.00981	0.4
119.01930	100.0
119.96079	4.2
119.98234	0.8
120.02023	1.4
120.97936	1.4
123.04498	0.5
124.02430	3.8
124.95483	0.6
124.99130	1.2
126.02592	0.8
127.03964	0.8
128.02351	1.0
128.98715	0.6
131.00145	0.9
137.02965	16.5
137.97118	1.2
138.05444	0.5
141.01263	1.0
141.03117	0.4
142.03514	27.5
142.97612	0.7
143.00195	3.0
143.01915	1.6
143.03653	1.2
144.98108	0.5
145.01651	0.8
146.99710	0.6
147.83510	0.4
148.03960	3.1
149.01254	0.5
154.02089	0.4
160.04561	3.8
160.98759	0.8
161.01292	1.1
161.02968	16.5
161.04367	0.8
162.03123	0.5
166.03702	0.8
166.05006	4.0
179.04031	13.6
179.05605	0.8
184.04605	1.5
184.06049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1381
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
53.03946	1.9
55.01869	2.2
55.05512	17.0
57.03424	2.7
57.07072	2.6
65.03922	1.1
67.05508	27.0
69.03431	2.0
69.07072	23.7
71.04543	1.1
71.04997	12.9
79.05499	14.7
80.35917	0.6
81.03448	0.7
81.07059	100.0
83.04989	5.6
83.08620	9.5
85.02920	1.4
85.06551	12.0
85.07028	1.1
86.05996	0.7
91.05486	12.2
93.07053	13.4
95.04977	4.9
95.08609	23.3
97.06530	6.2
98.98471	4.5
99.04468	2.2
99.08106	2.6
100.75880	0.7
100.97250	0.8
100.98016	0.7
101.95040	0.9
105.03386	4.3
105.04512	0.8
105.07037	29.0
107.08594	12.0
109.06528	10.1
109.10177	3.9
111.08086	1.5
113.06017	2.2
117.07024	0.6
118.98229	0.6
119.08591	24.6
121.10147	26.2
123.04411	3.0
123.08079	7.6
123.11712	40.7
125.06013	1.2
125.09676	0.6
125.42822	0.6
127.01576	1.5
127.07581	2.7
137.05966	0.7
137.09654	2.8
137.13287	2.6
138.74648	0.6
139.11232	1.1
139.34865	0.6
140.04680	0.8
140.82941	0.6
141.09131	1.0
145.10130	0.7
147.11693	46.8
155.07030	0.6
156.26370	0.7
160.04573	1.0
165.01822	0.9
165.09137	1.0
165.12770	20.4
168.09349	1.4
183.03006	1.0
183.06587	1.1
183.07930	0.9
183.09323	1.7
183.11748	2.5
183.13799	3.2
183.17455	0.7
184.11400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0653
Annotation	3-Hydroxy-4-methoxyphenylacetic acid
Peak:m/z	Relative Intensity
53.03961	0.9
55.01862	1.6
55.05506	1.4
57.02300	0.7
57.03440	15.0
57.78485	0.6
65.03933	1.6
65.80421	0.5
67.05506	4.3
68.99797	5.1
69.03432	3.7
69.07053	2.2
70.86918	1.3
71.05000	7.2
74.70733	0.6
79.05495	3.6
81.07065	11.8
83.04959	1.0
85.06540	2.2
87.04436	0.7
91.05479	9.5
93.07036	2.8
95.04974	9.1
95.08614	4.9
97.06541	4.6
98.98470	3.4
99.04459	24.0
101.95025	0.7
104.41819	0.6
104.94543	0.6
105.03394	2.8
105.07043	2.5
107.08602	2.1
109.02907	1.0
109.06518	11.6
109.10167	2.8
111.08088	1.1
113.05987	1.0
119.04945	11.5
119.08570	2.4
121.10139	2.7
123.04424	3.8
123.08102	3.1
123.11719	5.5
125.06007	1.1
125.09624	1.6
127.01580	0.7
127.03864	0.7
127.07503	0.8
137.05986	77.7
137.09602	3.6
140.04689	0.9
141.05467	2.2
144.34047	0.7
147.04408	2.6
147.08072	1.0
147.11688	2.2
155.07063	0.8
155.08559	1.0
165.05484	62.9
165.09177	2.0
165.12811	2.0
183.06543	100.0
183.13811	2.0
192.58530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0653
Annotation	3-Hydroxy-4-methoxyphenylacetic acid
Peak:m/z	Relative Intensity
51.02372	0.7
51.19744	0.3
53.03957	2.0
55.01870	0.6
55.05524	0.7
56.96552	1.3
57.03444	0.4
59.60742	0.4
65.03929	1.2
67.05520	2.1
68.45621	0.3
69.03429	1.0
69.07065	0.5
69.97487	1.2
69.97892	0.8
71.05000	1.0
73.69900	0.4
77.03925	2.0
79.05492	1.3
81.03419	0.7
81.07069	2.4
82.19786	0.4
83.05000	0.5
84.06947	0.4
85.02903	1.5
85.06533	0.6
91.02653	0.3
91.05472	1.6
93.03412	1.1
93.07050	1.5
93.57594	0.4
94.04182	2.1
95.04971	10.0
95.08628	2.1
97.02859	0.6
97.06535	0.9
98.97581	1.3
98.98470	2.9
99.04453	1.1
100.97163	0.4
101.00883	0.4
101.95086	0.5
105.03397	7.2
105.04513	1.0
105.07030	0.4
107.04951	2.2
109.02883	0.8
109.06534	1.3
109.10145	1.0
110.03667	9.8
111.04470	1.9
118.83167	0.4
118.98230	0.6
119.01941	1.7
119.04974	1.0
119.08598	1.7
121.02897	0.4
121.06530	0.5
121.10119	0.5
122.03651	5.9
123.04443	8.5
123.08091	1.8
123.11758	0.5
124.05305	0.6
125.02392	0.4
125.05994	19.9
133.02858	100.0
134.03214	0.7
137.05981	46.0
137.09598	1.3
139.03903	0.5
140.04642	2.7
141.05495	0.4
142.03525	1.2
147.04433	2.6
151.03969	0.4
155.07050	2.6
160.04541	0.5
165.05486	19.8
165.09099	1.3
183.02939	0.5
183.06572	8.8
183.08086	0.9
183.10052	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1541
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
55.01874	1.1
55.05508	6.2
56.05032	0.4
57.03427	0.9
57.07075	2.5
57.28292	0.4
58.02962	24.4
59.04996	0.7
67.05505	15.4
69.03438	0.5
69.07071	50.8
69.16894	4.1
70.06585	1.8
71.41231	0.4
72.08149	0.5
74.06076	1.1
75.54964	0.4
77.74732	0.4
79.05494	4.6
81.06586	0.9
81.07059	13.8
82.06596	0.6
83.04981	1.3
83.08623	5.5
84.04483	0.5
84.08143	7.3
86.06079	0.9
91.05485	3.7
93.07052	7.7
95.04991	1.0
95.08601	5.2
97.06532	3.3
98.06055	2.5
98.09711	1.4
98.97577	2.6
99.97931	1.2
100.07618	5.4
105.07037	11.7
107.07874	0.8
107.08596	14.4
109.06528	1.8
109.10157	39.6
111.08139	0.4
112.07599	2.1
114.09172	13.3
116.98631	1.5
117.98981	0.7
119.08579	1.3
121.10149	1.5
122.09705	0.5
122.92448	0.4
123.08075	0.4
123.11717	7.0
124.11226	0.7
126.09161	13.0
126.12797	1.5
128.10747	0.5
131.08595	0.4
133.10135	26.5
135.11694	14.9
136.07584	0.9
137.13289	0.5
138.11688	0.8
138.12775	15.6
140.10701	1.2
140.14326	0.8
147.11685	3.3
151.11186	10.6
153.07048	0.7
153.12741	11.2
154.15891	1.6
155.08516	0.5
164.14355	1.6
165.12758	2.5
167.08496	1.9
168.09361	1.0
182.15407	100.0
183.11678	2.4
183.15770	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03942	2.9
54.03082	1.2
55.01859	1.1
55.05494	3.1
56.96550	1.1
65.03944	2.3
67.05502	13.4
68.05019	1.3
69.03419	2.0
69.07061	3.6
69.86704	5.1
70.06597	9.9
79.05066	1.6
79.05496	20.0
80.05003	3.0
80.05800	1.2
81.06592	1.6
81.07060	29.4
82.06556	1.9
82.07357	1.2
83.08614	2.4
83.48555	0.9
84.08140	2.8
85.02935	1.3
86.02419	4.4
86.06072	1.0
88.75123	0.9
91.05489	6.0
92.05037	1.1
93.05776	4.2
93.07033	1.2
94.06574	2.1
94.07412	1.0
95.04967	6.1
95.08614	2.4
96.04481	1.8
96.08138	2.3
97.05254	2.0
97.06538	6.8
98.06057	2.5
98.09686	3.4
98.97586	7.2
98.98513	1.0
99.97933	3.3
107.07318	2.4
108.04472	1.5
108.08125	41.5
109.06499	6.3
110.06036	3.2
112.03931	1.1
112.07599	1.1
116.98618	4.4
117.98965	2.2
118.06538	3.8
119.08577	2.5
121.05212	1.6
122.06041	2.2
122.06841	1.3
122.10484	1.5
123.04425	1.9
123.08037	1.8
123.95315	1.0
124.07595	1.4
125.05998	24.3
126.05524	24.6
126.09148	13.6
127.07574	1.3
134.06049	1.2
134.99637	1.8
136.07587	71.3
137.05971	1.6
138.05464	2.7
138.09116	1.6
140.10672	2.7
141.05467	1.6
141.36566	1.2
150.12738	1.2
151.00998	1.0
153.05415	1.2
153.07864	2.7
154.08646	22.3
164.04303	2.8
164.07074	71.2
164.11607	1.3
165.05467	1.1
165.07434	1.0
170.72778	1.0
182.08139	100.0
182.11661	3.6
182.15378	1.4
183.08942	1.0
202.05907	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
53.39470	2.2
55.01870	3.4
55.05266	3.2
55.05516	39.7
56.25525	2.2
57.07081	18.5
62.18077	2.0
67.05513	3.3
69.07072	100.0
70.82079	5.1
71.08636	4.6
72.08171	2.9
72.38701	1.9
73.61508	2.3
77.26457	1.9
79.05483	3.6
81.07060	4.7
83.04973	3.6
83.08627	32.6
85.10172	3.0
91.07515	2.0
93.07036	4.7
95.04955	1.9
95.08604	6.3
97.06541	5.0
97.10183	27.0
103.18043	2.4
107.08626	5.1
111.11732	15.4
113.30670	2.2
118.72239	2.3
121.10155	6.2
123.08053	4.8
125.06004	5.7
125.13248	3.5
126.72879	2.1
139.11180	3.5
143.93599	2.1
145.65013	2.1
163.11218	7.1
181.06096	2.1
181.08650	2.4
181.12346	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03937	3.9
54.74252	1.7
55.05508	6.1
56.96561	6.9
57.03437	4.8
57.07062	2.3
59.04996	1.9
61.64544	1.7
61.72914	1.8
67.05510	9.6
69.03421	3.0
69.07052	7.9
70.78101	3.7
71.04985	7.1
79.05070	3.1
79.05501	36.6
81.06586	3.0
81.07056	38.3
81.81373	1.8
83.04966	8.1
83.08579	1.8
85.06541	5.2
91.05470	12.6
93.07047	44.9
95.04958	8.4
95.08605	22.2
95.87495	1.7
97.06553	18.0
98.97589	96.8
105.07037	27.0
107.04952	5.0
107.08598	25.0
109.06488	5.0
109.10143	17.9
111.04420	6.0
111.08082	5.6
116.98634	36.3
117.07018	6.6
119.08566	5.8
121.06501	21.2
121.10152	53.7
123.08083	14.6
125.05989	12.1
130.07796	6.1
134.99690	13.1
135.04369	2.3
135.08041	3.9
135.11690	21.1
137.09575	2.7
139.07547	8.1
139.11165	11.5
140.00172	5.9
145.10130	46.1
153.12695	4.1
158.01228	2.5
163.11188	63.7
163.14839	6.3
181.12238	100.0
181.15811	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03946	2.9
55.01872	5.1
55.05507	7.6
56.96564	6.8
57.07077	5.0
59.04992	2.0
67.05222	1.1
67.05511	10.9
69.03408	3.9
69.07079	11.0
71.04982	3.5
71.26778	1.7
71.95256	1.9
79.05500	26.7
81.03413	1.7
81.07065	45.4
83.04974	5.4
83.08611	4.8
85.02906	1.4
85.06538	4.1
91.05074	1.0
91.05492	11.5
93.03418	1.6
93.07055	47.6
95.04980	10.8
95.08620	16.0
97.06523	8.4
97.10160	6.0
98.97593	100.0
103.05471	1.4
105.07055	12.2
107.04955	3.5
107.08603	27.8
109.06531	13.4
109.10139	2.3
111.08083	2.0
116.97285	2.2
116.98629	50.2
117.07031	7.4
119.08591	18.4
121.06505	7.9
121.10155	46.9
123.04382	1.3
123.08027	3.1
123.11699	4.3
125.06001	9.0
127.07569	8.4
130.07765	4.3
133.10143	1.5
134.99655	13.4
135.04396	2.9
135.08069	14.2
135.11691	27.3
136.07471	1.5
137.05998	1.8
137.09587	2.5
137.13251	4.4
139.03993	1.2
140.00166	4.5
145.10132	50.5
148.08820	1.5
149.06017	1.8
151.11188	12.4
153.05460	1.7
158.01257	3.8
163.03940	5.7
163.11195	83.4
163.14836	12.2
177.00874	1.0
181.04944	3.1
181.06422	1.5
181.08638	2.3
181.12242	31.6
181.15843	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	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03939	1.6
55.01864	2.8
55.05505	2.4
67.05501	6.1
69.03403	1.1
69.07068	1.2
70.68961	0.9
70.69327	2.4
71.27142	0.9
79.05495	18.2
81.07055	35.0
83.04971	2.2
91.05479	8.7
93.07046	42.4
95.04960	3.8
97.06516	1.2
98.97588	8.2
105.07018	14.0
107.08590	17.1
107.83743	0.9
109.06520	14.4
115.05489	1.2
116.98634	2.1
117.07008	7.5
119.08583	20.0
121.06497	3.6
121.10143	44.5
123.08023	1.4
125.06015	1.1
127.07564	10.8
130.07797	6.7
133.06471	1.9
133.10069	1.1
135.08066	16.8
135.11700	19.9
137.09595	2.5
143.08629	1.4
145.10127	66.1
151.11183	14.4
154.37654	0.8
161.09589	0.9
163.11183	100.0
164.11530	2.0
181.12242	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	181.0498
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03949	0.5
56.96554	0.4
59.63350	0.2
63.02376	0.5
65.03941	0.2
67.05493	0.2
70.58023	0.6
79.05499	2.6
83.04976	0.4
89.03926	13.8
91.05466	1.1
93.03425	0.4
93.07042	0.4
95.04969	0.6
97.06548	0.2
98.97599	9.0
106.55755	0.2
107.04954	5.2
111.04424	0.7
116.98637	3.1
117.03394	17.6
119.04951	0.3
120.08119	0.6
121.06477	0.3
121.08445	2.4
121.10121	0.4
134.99680	0.8
135.04430	31.3
135.11742	0.5
136.04776	0.3
137.05968	0.5
139.03923	0.6
140.00108	0.3
145.02859	20.1
145.03883	0.7
153.05516	0.4
157.11223	0.3
163.03918	100.0
164.04268	1.1
176.56995	0.3
181.05159	1.4
181.12178	0.3
186.05717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
56.96575	1.3
57.03443	0.3
63.02370	0.3
65.03953	0.6
67.05482	0.3
69.03460	0.2
71.26640	0.4
71.95255	0.6
77.03924	0.3
78.98605	0.2
79.05137	0.3
79.05505	3.1
83.04964	0.6
86.32764	0.3
89.03921	11.3
91.05484	1.5
93.03404	0.5
93.07049	0.8
95.04983	0.8
97.06525	0.5
98.97592	23.1
105.07059	0.4
106.83640	0.3
107.04965	5.6
107.08583	1.0
111.04430	0.4
116.98631	11.3
117.03393	17.4
119.04962	0.6
121.02919	0.4
121.06507	1.1
121.07371	0.3
121.10159	0.7
121.86333	0.3
125.05981	1.0
134.99692	2.8
135.04427	29.2
135.08020	0.5
135.11705	0.5
137.05966	0.7
139.03918	1.0
140.00200	0.7
145.02858	20.4
145.03862	0.8
146.03180	0.3
149.05965	0.4
153.05490	0.5
158.01271	0.6
163.03914	100.0
163.11169	1.0
164.04289	0.6
181.04991	2.5
181.08524	0.5
181.12173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1021
Annotation	N-Acetyltyramine
Peak:m/z	Relative Intensity
55.05500	0.3
56.96565	0.4
58.12839	0.2
69.03426	0.3
71.53394	0.2
79.05516	0.3
80.05000	0.3
81.07071	0.2
85.02885	0.3
89.03925	0.4
91.05482	1.2
93.07063	2.2
94.06581	0.2
98.97605	2.1
103.05481	6.2
106.06554	0.4
107.04987	0.3
108.04498	1.4
112.07632	0.4
116.98645	1.2
117.03418	0.3
120.08123	100.0
121.06520	5.3
121.08448	1.0
123.08208	0.2
131.04950	1.1
134.06039	0.5
134.99661	0.3
135.04434	1.2
135.08076	0.5
138.09157	0.2
144.05301	0.2
145.02884	0.6
152.07106	1.1
153.05482	0.3
158.99585	0.2
162.09140	1.3
163.03899	2.4
163.07590	0.8
180.03769	2.1
180.06613	0.4
180.10190	3.7
180.13889	0.4
181.05043	0.3
183.96007	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03953	5.7
55.01874	7.0
55.05513	28.3
56.96564	2.5
57.03422	3.2
57.07055	1.6
59.04991	1.3
62.69103	0.9
65.03937	3.4
67.05506	100.0
67.98690	1.0
69.03413	1.7
69.07069	17.3
71.04980	3.8
71.41977	1.9
73.06551	1.7
73.69105	1.0
79.05497	68.8
81.03419	20.4
81.07059	98.5
82.06543	0.9
83.04988	34.1
83.08617	15.9
85.06533	3.0
91.05484	52.2
93.07049	40.5
93.07638	1.9
95.04969	11.7
95.08611	82.7
97.06535	34.6
97.10178	3.4
99.08100	2.5
105.04508	2.7
105.07037	33.8
107.08595	11.8
108.62589	0.8
109.06526	9.1
109.10163	14.9
111.08096	9.5
111.91761	0.8
113.09641	9.9
117.07013	2.4
119.08584	36.5
121.10146	7.7
123.04423	2.0
123.08105	4.4
123.11720	1.1
131.08580	2.1
133.06517	0.9
133.10136	24.1
135.11728	8.2
137.09619	2.9
137.53311	0.9
143.37985	1.0
151.03925	1.2
161.13274	24.7
179.03377	6.7
179.06393	7.6
179.08321	1.2
179.14322	73.2
185.04945	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.36952	1.0
53.03951	1.5
53.05227	1.1
55.01873	2.8
55.05514	4.8
57.03441	8.7
57.07064	1.2
59.26712	1.0
65.03945	1.0
67.05508	33.6
68.10976	1.3
69.03421	2.9
69.07069	6.6
70.29613	3.9
71.04985	3.5
73.06516	1.1
76.02192	1.1
77.03950	1.0
79.05069	1.7
79.05495	22.4
81.07059	78.6
83.05000	5.9
83.08624	2.8
85.06530	5.8
91.05482	23.8
93.07046	33.9
93.07638	1.8
95.04967	4.8
95.08611	75.8
97.06524	13.3
99.08084	6.8
105.07033	35.3
107.08602	15.6
109.06526	4.2
109.10153	6.1
110.01290	1.4
110.97526	1.1
111.08087	4.8
117.07028	1.8
119.04921	1.2
119.08588	47.0
121.10140	14.6
123.04442	3.4
123.08087	7.1
128.52855	1.7
130.52644	1.2
133.10130	30.9
135.11697	27.9
135.12717	1.5
137.06000	1.5
137.09610	3.2
137.13229	2.4
147.04414	3.1
151.03909	2.9
161.13261	93.0
161.44963	1.0
179.03419	9.0
179.06563	1.8
179.14317	100.0
195.32849	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03939	2.3
55.01870	2.5
55.05520	11.0
55.31572	1.2
56.96555	4.9
57.03429	3.6
57.07062	2.3
62.15912	1.2
67.05509	19.8
69.03439	9.6
69.07074	21.2
70.84512	2.4
71.04977	2.6
71.08646	1.3
79.05497	21.2
81.03407	1.9
81.06590	2.5
81.07059	45.6
83.04990	12.6
83.08623	2.6
85.06535	2.4
88.01646	1.4
91.05487	19.5
91.99770	1.2
93.07053	37.2
95.04980	11.3
95.08614	41.8
97.06538	59.0
97.10171	3.8
98.97596	2.0
98.98533	1.3
104.52352	1.3
104.82245	1.4
105.07038	59.0
107.08600	18.0
109.02899	1.4
109.06524	70.7
109.10171	27.2
111.08059	6.4
112.90642	1.1
117.02053	1.4
117.06989	1.4
119.01692	1.3
119.04909	1.5
119.08591	55.4
121.10154	53.7
123.04462	3.1
123.08087	30.1
123.11691	1.9
127.07558	2.2
133.02893	1.8
133.06477	1.2
133.10132	21.7
135.11697	12.2
135.53618	1.4
137.09630	8.6
137.13332	1.4
141.15816	1.2
141.67767	1.3
147.04362	1.6
155.93376	2.1
158.04715	2.1
161.13269	73.9
164.04041	1.8
175.90192	1.2
179.03366	12.4
179.06310	14.1
179.10730	5.6
179.14325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03936	1.9
55.01861	2.5
55.05507	4.8
56.96558	1.7
57.03441	7.3
57.07065	1.6
67.05509	31.4
69.03436	2.1
69.07076	8.8
70.89964	1.0
71.04988	3.5
79.05499	17.7
81.07062	77.0
81.11299	1.1
83.04981	3.8
83.08601	2.3
85.06548	6.7
85.85188	1.3
91.05486	25.8
93.06481	2.2
93.07049	31.2
95.04958	4.1
95.08612	69.9
97.06536	11.0
97.99155	1.2
98.21513	3.6
98.97503	1.2
99.08083	6.4
105.07041	28.2
107.08602	15.3
109.06520	6.3
109.10169	5.7
111.08099	3.3
112.01302	1.0
112.03287	1.2
117.07018	3.0
119.04935	1.5
119.08586	48.5
121.10155	15.5
123.04432	3.5
123.08076	6.6
123.11696	1.8
133.10141	29.5
135.11699	31.7
137.05998	1.5
137.09605	2.4
137.13269	3.0
151.03870	1.7
151.11180	1.3
161.06030	1.5
161.13268	92.1
163.03835	1.3
179.03438	7.3
179.06332	2.8
179.14325	100.0
186.27008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1228
Annotation	Ethcathinone
Peak:m/z	Relative Intensity
54.02156	0.4
62.28178	0.3
67.05530	0.3
70.51357	0.6
85.88338	0.3
88.02231	0.4
91.05463	0.4
105.07002	0.6
105.91557	0.3
107.08622	0.5
111.04435	0.4
117.07020	0.8
118.06546	5.6
118.96776	1.0
119.07345	6.4
132.08096	0.7
134.09665	44.6
135.10106	0.4
146.03195	0.9
154.96442	0.4
160.11201	1.5
162.09154	1.3
163.09962	1.1
177.98141	0.4
178.12283	100.0
179.12614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1435
Annotation	Nigrifactin
Peak:m/z	Relative Intensity
55.05503	0.5
64.68784	0.4
69.07050	1.1
69.17422	1.8
69.17852	2.3
70.06568	1.1
71.05016	0.5
72.04496	0.6
76.76283	0.3
79.05505	1.1
79.85651	0.3
81.07046	1.4
83.08611	0.7
88.07602	0.6
89.03893	0.5
91.05455	1.4
92.05804	0.7
93.07030	1.7
95.08598	1.6
98.98450	1.2
105.07000	1.9
106.06629	0.5
106.07353	1.9
107.08584	2.7
116.07068	1.1
118.06549	21.3
119.07274	0.5
119.08578	1.1
120.08098	1.5
120.08905	2.5
121.09438	0.4
121.10168	3.9
130.06523	1.2
131.08490	0.6
132.08080	6.0
133.08844	3.1
133.10060	1.1
134.09578	1.2
134.10463	2.6
135.11687	0.6
141.05518	0.5
146.09645	6.0
147.10399	0.6
148.12035	0.8
158.10428	0.4
160.11194	0.9
161.04706	0.7
176.07112	1.6
176.14326	100.0
177.09343	0.4
177.12784	1.3
177.14702	1.3
177.16360	2.9
193.64903	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.011
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	1.3
57.03432	1.1
62.71894	1.1
67.67232	1.0
70.06580	1.0
70.30193	3.7
71.04967	1.2
73.02893	1.4
76.89041	1.0
81.77500	1.0
96.31219	1.1
98.97547	1.3
130.09767	1.3
132.02121	100.0
133.03435	1.1
135.28879	1.0
174.03815	1.1
176.01111	27.9
176.10345	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	27.0
54.04712	1.2
55.05301	1.2
55.05510	12.2
58.99575	2.3
61.01154	21.8
62.99084	11.0
65.00638	12.0
65.03938	3.7
67.04223	2.6
67.05490	4.7
68.05034	7.3
69.03426	9.2
69.07060	1.3
69.77505	7.1
70.06587	2.6
71.04984	6.7
71.99104	9.5
73.01130	1.2
74.99056	1.8
75.02689	3.8
78.03445	9.5
78.96783	2.1
79.04236	1.3
80.05012	2.2
81.09196	1.3
82.99554	3.9
85.01130	57.3
87.02695	36.7
89.00604	3.9
89.04282	2.0
91.05455	1.8
93.07025	4.3
96.04491	70.3
98.98475	1.9
100.02204	3.0
101.02975	4.8
101.04235	11.4
103.02166	36.1
104.02934	3.6
105.07008	4.0
106.07392	2.5
107.08656	1.5
112.02190	100.0
113.02977	2.9
113.07150	1.9
117.03747	17.0
119.08564	3.0
120.08114	2.3
120.08905	5.8
120.14471	1.5
124.72756	1.2
130.06526	5.2
130.07368	1.7
133.10127	1.4
134.10477	3.8
135.11690	2.8
144.05496	1.3
161.05630	2.8
176.02003	85.8
176.08134	6.9
176.10431	1.8
176.11783	1.7
176.14137	3.1
176.15268	4.1
177.05475	2.6
199.35890	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05315	0.6
55.05517	5.4
57.07068	1.0
67.05513	1.1
69.07073	20.3
69.92145	2.5
78.71968	0.5
79.05489	1.9
81.07069	3.8
83.08632	4.1
91.05492	7.2
93.07039	1.9
95.08620	3.0
98.98475	1.1
99.14487	0.5
105.07038	17.0
107.08601	3.4
115.92249	0.5
117.07029	1.9
119.08591	67.5
121.10139	1.8
131.08595	2.9
132.09364	0.8
133.10141	56.1
145.10138	5.9
146.11090	0.9
147.11702	7.8
159.11729	0.9
160.12491	2.5
173.13300	2.0
175.14839	100.0
176.15167	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
51.41537	0.6
53.03928	0.7
55.05513	5.4
57.07052	0.8
61.48975	0.5
66.67220	0.5
67.05489	1.8
69.07069	17.3
69.69862	3.4
75.42137	0.5
79.05479	1.8
81.07054	4.8
82.11495	0.6
83.05006	0.7
83.08621	2.6
84.25838	0.5
91.05474	7.0
93.07034	2.7
95.08599	4.5
98.20798	0.7
98.79115	0.5
98.98447	2.5
104.80070	0.5
105.07034	19.8
107.08586	4.3
107.57633	0.6
111.04406	1.0
115.05430	1.0
117.07012	2.5
118.07767	0.5
119.08584	70.8
121.10146	2.2
128.99088	0.5
131.07726	0.6
131.08556	3.7
132.95853	1.0
133.10132	60.8
145.10143	4.6
146.10944	0.8
147.08003	1.5
147.11693	10.1
157.10091	1.0
160.12541	3.0
173.13239	2.3
175.06207	0.6
175.07582	2.3
175.14828	100.0
176.15160	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
53.23617	1.0
54.31827	0.9
55.01855	1.5
55.05511	55.5
57.06827	1.4
57.07074	18.2
57.42961	1.0
67.05481	2.9
68.12318	1.1
69.03412	3.7
69.07068	52.4
70.06561	3.1
70.62631	1.1
71.08617	4.9
71.54018	1.0
79.05479	4.4
81.07052	15.0
83.04982	1.4
83.08617	81.0
85.02885	1.4
87.04462	1.9
91.05484	18.4
92.90084	1.8
93.07030	7.4
95.08603	13.6
97.02894	7.5
97.10172	18.0
98.03687	1.5
98.97867	1.8
98.98470	27.2
103.05499	1.4
105.03371	1.9
105.07030	37.2
107.04910	1.3
107.08609	7.0
111.04451	3.3
115.03905	1.7
115.05446	1.9
116.07079	1.4
117.07020	5.1
119.04952	1.8
119.08580	85.0
121.10158	2.9
125.02351	2.4
127.03917	2.8
129.07054	6.0
130.06494	1.8
131.08572	8.2
132.09302	1.2
132.95833	2.6
133.06485	2.5
133.10129	100.0
134.10463	1.3
139.03909	1.9
142.07767	3.7
145.06566	1.7
145.10133	4.7
146.10907	2.0
147.04350	1.8
147.08064	3.7
147.11673	16.6
150.96884	1.7
151.93800	2.3
157.07626	1.7
157.10159	6.4
160.05206	3.2
160.08809	1.7
160.12488	3.1
173.13289	1.6
173.70967	1.2
175.03915	2.3
175.06024	2.4
175.07484	14.2
175.11195	16.2
175.14821	97.7
176.15204	1.6
185.03935	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03943	1.6
55.05520	6.7
57.07083	1.0
65.03964	0.8
67.05514	5.7
69.03430	1.0
69.07077	8.2
70.06597	0.8
71.14336	1.1
79.05079	0.8
79.05500	11.3
81.07064	32.4
83.08627	1.6
87.04486	0.8
91.05489	24.2
93.06481	1.3
93.07049	16.5
95.05004	1.0
95.08611	24.9
97.02908	1.8
98.98475	8.7
103.05476	0.9
105.07037	63.0
107.08603	22.9
109.10139	1.9
111.04480	0.8
117.07030	5.1
119.08590	83.8
121.06545	1.2
121.10152	2.5
127.03897	0.8
129.07022	1.6
131.08577	8.4
132.09401	0.9
133.10135	57.2
133.92960	0.9
142.07785	2.8
145.10129	5.2
146.10905	3.4
147.08025	1.8
147.11697	23.5
151.93927	2.0
157.10109	4.7
160.08795	1.5
160.12503	1.5
173.13309	1.1
175.07503	1.1
175.11244	16.3
175.14841	100.0
176.15201	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	4.8
57.07066	1.0
67.05502	1.7
69.07075	18.0
69.70330	2.5
69.70740	1.2
72.05309	0.6
79.05477	1.9
80.37196	0.6
81.07064	5.5
83.08625	3.5
91.05492	7.5
93.07038	2.0
95.08613	4.3
97.02927	1.7
98.98487	5.2
105.07040	22.0
107.08627	3.3
115.05450	1.4
117.07022	2.5
119.08596	73.4
121.10165	2.4
129.06975	1.6
131.08556	3.4
132.09351	1.0
133.10146	56.4
135.11658	0.9
145.10158	4.8
146.10785	0.7
147.08084	1.0
147.11691	8.5
157.10136	0.9
160.05212	1.2
160.12500	3.1
168.16171	0.7
173.13234	2.2
175.07515	3.7
175.11337	2.6
175.14842	100.0
176.15186	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03937	0.9
53.08883	0.7
55.05509	6.4
56.96552	3.0
65.21098	0.7
65.80025	0.7
67.05495	1.5
69.07075	15.6
69.39531	0.8
70.71572	1.4
70.71903	1.7
76.41632	0.9
79.05495	2.7
81.07059	8.7
83.08636	3.8
83.94038	0.7
91.05490	8.9
93.07065	4.7
94.01798	1.1
95.04996	1.6
95.08600	6.8
97.02884	1.5
98.98450	4.2
105.07034	24.3
107.08628	6.2
110.63544	0.8
117.07017	2.9
119.04939	0.8
119.08586	70.0
121.10166	0.9
129.07004	0.9
131.08578	3.8
132.09370	1.1
133.10135	64.9
134.04895	1.6
135.11722	0.8
143.05441	6.0
145.10152	4.6
146.10881	1.2
147.08014	1.1
147.11700	12.9
152.05919	1.0
157.10121	1.6
160.12465	2.7
172.60460	0.7
173.13268	1.9
175.02679	0.9
175.07545	4.0
175.11232	5.9
175.14830	100.0
176.15094	1.1
176.87779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05515	6.4
57.07063	1.1
58.83120	0.6
65.03939	0.7
67.05491	2.0
69.03402	0.8
69.07070	18.2
70.31107	2.2
79.05482	2.4
81.07059	6.7
83.08619	5.8
87.09483	0.7
90.23934	0.6
91.05480	8.3
93.07060	4.0
95.08601	5.8
97.02878	1.0
98.98460	4.2
105.03329	0.6
105.07030	22.1
107.08607	4.8
111.04485	0.6
115.05430	0.9
117.07027	2.9
119.08585	75.6
121.10150	2.0
129.07028	1.3
129.10271	0.6
131.08585	3.3
132.95811	0.9
133.10132	61.2
135.11751	0.7
141.37346	0.7
145.10129	5.2
147.08069	0.7
147.11690	11.5
151.42590	0.7
157.10092	2.1
160.12424	3.2
173.13268	2.0
175.07515	1.5
175.11307	2.7
175.14827	100.0
176.15178	1.3
192.65575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03944	1.0
53.20126	0.5
54.21026	0.4
55.01881	0.9
55.05512	6.6
57.07073	0.5
67.05504	2.5
69.03426	0.6
69.07069	17.9
69.26972	4.8
70.77972	0.4
72.30373	0.5
79.05502	2.3
81.07057	6.5
83.08627	4.5
87.04434	0.5
91.05486	9.0
92.90105	1.1
93.07043	4.2
95.04958	0.6
95.08607	6.4
97.02897	1.8
98.03671	0.5
98.98476	9.2
105.07034	25.3
107.08601	5.7
111.04446	0.6
115.03918	0.6
115.05417	0.6
117.07026	2.6
119.08585	77.1
120.08793	0.6
121.10127	2.5
125.02341	0.9
127.03970	1.1
129.06989	1.3
130.06470	0.7
131.08546	4.4
132.09314	0.7
132.95860	1.7
133.10135	70.4
134.10512	0.5
142.07777	0.7
145.10110	5.0
146.10909	1.3
147.11699	10.9
151.93736	0.8
157.10136	1.4
159.11726	0.6
160.05151	0.7
160.12465	3.1
173.13321	2.5
175.06122	0.8
175.07423	2.6
175.11261	2.7
175.14830	100.0
176.06938	0.6
176.15157	1.6
190.36426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
55.01862	1.8
55.05518	5.0
57.03443	85.7
60.05647	1.2
66.34118	1.2
67.05502	3.6
69.03419	2.8
69.06745	1.2
69.07072	8.1
70.06596	2.0
70.12138	4.3
79.05480	4.1
81.03417	1.6
81.07067	6.5
83.04972	2.8
83.08613	1.4
85.02931	1.3
87.04443	2.1
91.05492	19.4
93.07035	4.6
95.08602	4.7
97.02892	7.9
98.03692	1.9
98.20852	2.0
98.98477	33.4
103.05451	1.4
105.07045	20.9
107.04973	2.2
107.08601	4.0
111.04424	3.6
115.03912	2.8
115.05488	1.5
117.07023	5.7
119.08596	100.0
121.06532	1.5
125.02336	2.1
127.03979	2.0
129.06984	5.5
131.08574	3.6
133.06512	3.0
133.10144	36.5
133.60593	1.1
133.92902	1.4
139.03931	2.1
142.07800	2.6
145.06508	2.4
145.10110	2.9
146.07295	2.8
147.08083	7.3
147.11691	10.1
151.93912	2.9
157.10158	6.1
160.08885	1.1
160.12503	2.7
173.25752	1.1
175.03906	1.8
175.06075	2.9
175.07594	6.3
175.11203	56.2
175.13284	1.6
175.14819	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
52.17057	0.9
53.03930	1.1
55.01870	1.7
55.05500	2.9
56.96555	1.7
57.03437	100.0
60.05640	1.7
62.29356	1.0
67.05496	2.4
69.03413	2.7
69.07053	3.1
70.06584	2.2
71.54407	2.3
79.05489	1.7
81.07045	3.1
82.13106	1.1
83.04964	1.2
85.02897	2.0
87.04457	2.7
87.57148	1.2
91.05482	12.1
92.90415	1.6
93.07004	2.0
93.46349	1.0
95.08613	1.9
97.02889	4.4
98.98468	44.4
105.07029	12.8
107.08602	2.3
111.04436	2.5
115.03909	3.6
116.97221	1.3
117.07036	5.3
119.04938	1.2
119.08585	59.4
125.02342	1.3
127.03904	2.8
129.06955	2.6
131.08562	4.1
132.95416	1.1
133.06493	1.8
133.10138	15.4
133.93028	1.4
142.07825	5.3
145.10117	1.4
146.07251	1.3
147.04437	1.9
147.08029	5.5
147.11671	6.4
151.93933	5.2
157.04218	2.3
157.10127	8.1
160.08818	2.6
175.03893	1.6
175.06133	1.8
175.07553	3.0
175.11172	47.9
175.12885	2.0
175.13234	2.1
175.14781	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1538
Annotation	cis-p-Menthan-1,8-diol
Peak:m/z	Relative Intensity
53.03948	1.9
55.05270	2.2
55.05518	30.0
57.03443	2.1
57.07085	10.8
59.05011	8.9
62.17278	1.2
67.05183	1.5
67.05515	20.5
69.07076	45.4
70.95875	2.3
71.05004	34.0
71.08641	3.1
71.22102	3.1
72.93797	6.8
73.06554	1.6
79.05505	8.5
81.07066	100.0
82.07398	1.4
83.04988	16.5
83.08624	10.8
85.06083	1.9
85.06560	23.5
87.04459	1.8
89.02348	1.5
90.90381	5.4
90.94830	4.3
91.05487	8.3
93.07034	3.0
95.04948	1.4
95.08620	69.9
96.50449	1.4
97.10208	6.7
99.04454	1.9
99.08110	14.7
101.06039	15.1
105.07045	8.6
109.10168	13.9
109.20361	1.2
111.04457	28.7
111.11713	1.5
111.98482	1.4
113.06015	4.6
115.05446	3.0
116.06268	2.3
117.07037	5.0
119.08611	9.7
127.07557	4.1
129.05493	5.6
129.07024	7.3
131.08585	58.8
131.93018	3.8
131.96152	2.8
132.95877	4.0
137.13277	39.7
143.08572	14.1
144.09364	5.5
145.06490	4.2
145.10149	24.0
149.50351	1.4
149.94069	4.5
149.96155	1.8
149.97253	2.0
150.96887	3.0
153.87550	1.4
155.07071	17.9
155.10712	1.8
155.14319	49.0
158.10931	22.2
171.11719	2.3
173.05957	2.9
173.08127	31.0
173.09613	6.0
173.13281	89.4
173.98486	1.5
174.06757	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03971	0.7
55.05513	3.5
57.07072	0.8
57.60419	0.4
59.05001	0.5
65.03937	0.5
67.05513	2.8
69.07045	0.4
70.88010	1.1
77.03912	0.4
79.05494	3.1
81.07060	4.7
83.04972	2.4
85.06579	0.6
90.90386	0.8
91.05480	12.2
91.06018	0.7
93.07044	4.2
95.08625	1.0
100.11255	0.9
101.06041	2.4
102.27636	0.5
103.05485	0.9
105.07038	15.4
107.08624	0.9
111.04424	4.0
115.05468	3.2
116.06245	1.8
117.07024	16.8
118.06581	0.6
119.08583	10.4
128.06210	2.8
128.72852	0.4
129.05492	1.2
129.07002	9.8
130.07785	6.1
131.08574	63.8
133.10133	1.6
143.06160	0.5
143.08562	14.7
144.05733	0.7
144.09357	6.9
145.06520	2.9
145.10129	48.7
146.10489	0.8
149.94064	1.0
153.06982	1.5
154.07814	0.6
155.03307	0.7
155.07053	2.2
155.08554	5.8
156.09402	0.6
158.07289	17.5
158.09717	1.0
158.10931	16.0
159.07784	0.6
161.40128	0.4
171.11684	1.5
173.08163	5.0
173.09628	41.7
173.13268	100.0
173.38097	0.4
174.09952	0.5
174.13699	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.02366	1.1
53.03951	2.4
55.05515	9.9
56.28077	0.9
57.07065	2.0
58.69108	0.8
59.04988	2.3
60.79015	1.0
65.03934	2.2
67.05505	8.3
69.07062	3.7
69.50440	7.1
69.54350	1.1
71.05005	1.9
72.93774	1.1
79.05505	10.7
80.65072	0.8
81.07058	15.3
81.11749	1.0
83.04972	5.7
85.06555	1.8
90.90388	2.3
90.94844	1.9
91.05486	43.2
92.55583	1.0
93.07038	4.5
95.04974	2.2
95.08626	8.9
97.10162	1.9
99.08084	1.6
101.06024	4.8
103.05471	4.1
105.04552	0.9
105.07037	39.5
107.08594	1.0
111.04445	9.9
115.05460	9.4
116.06242	9.4
117.07021	19.9
119.08583	33.8
127.07552	1.3
128.06236	14.8
129.05574	1.7
129.07016	42.5
130.07802	15.0
131.08578	75.3
131.93001	1.4
133.10147	11.0
137.13290	5.1
141.06995	1.3
142.07787	5.9
143.08568	100.0
144.09369	17.5
145.06485	2.6
145.10136	41.6
149.94055	2.5
149.96049	1.4
155.05971	1.7
155.07039	6.0
155.08255	1.3
156.09348	5.1
157.10106	5.1
158.07230	2.8
158.10928	62.5
171.11749	2.0
173.05931	1.7
173.08124	10.7
173.09656	10.4
173.13272	64.4
174.13649	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03945	0.9
55.05514	6.0
55.71455	0.5
56.05819	0.5
57.07072	0.7
59.04992	1.4
62.15324	0.6
66.58181	0.7
67.05511	3.0
67.49632	0.5
69.07062	1.4
71.53455	0.6
77.98883	0.7
78.44168	0.5
79.05484	2.7
81.03413	1.4
81.07050	6.4
83.04980	5.6
90.90372	2.2
91.05484	10.5
93.07051	4.2
95.04997	0.6
95.08624	0.9
100.11275	1.4
101.06028	4.1
103.03294	0.6
105.06402	1.0
105.07043	12.5
107.08601	1.1
111.04440	7.5
113.06049	0.6
115.05450	3.0
116.06223	2.5
117.07018	14.3
118.06526	0.8
118.89923	0.6
119.08588	10.7
127.07539	1.2
128.06238	1.6
129.05481	2.3
129.07005	9.6
130.07805	5.7
131.08574	71.4
131.92989	1.5
133.10150	1.5
137.06023	0.7
142.07741	0.7
143.08566	12.5
144.05650	0.6
144.09369	7.7
145.06499	2.3
145.10130	38.0
149.94106	3.3
155.07048	4.6
155.08540	2.3
156.09422	1.4
158.07312	5.7
158.10921	20.2
171.11681	1.7
172.95676	0.6
173.05917	1.3
173.08150	9.6
173.09645	15.0
173.13269	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03938	1.0
53.95151	0.5
55.05505	3.9
57.07068	0.9
59.04993	0.7
65.03957	0.5
67.05499	3.0
69.07059	0.9
71.52818	0.7
79.05496	3.6
81.03410	0.7
81.06594	0.6
81.07056	7.6
81.84874	0.5
83.04989	3.2
90.90382	2.9
91.05487	11.9
93.07043	4.9
95.04982	1.0
95.08580	0.8
98.98495	1.2
100.11235	1.7
101.06016	2.8
103.05457	1.5
105.07040	15.8
107.08570	1.2
108.91412	0.5
110.57600	0.5
111.04437	4.7
115.05460	2.7
116.06223	2.2
117.07024	15.0
118.06547	0.6
119.08582	11.3
127.07493	0.8
128.06226	1.8
128.14339	1.4
129.05524	1.1
129.07013	9.3
130.07790	6.2
131.08574	60.4
131.92964	1.6
133.10133	1.9
142.07776	0.6
143.08565	13.7
143.09677	0.7
144.09348	7.1
145.06497	1.7
145.10130	40.0
146.10498	0.6
149.94058	4.2
155.07143	2.8
155.08409	2.3
156.09404	0.7
157.10152	0.9
158.07292	7.7
158.10924	18.1
165.12314	0.6
171.11714	1.8
171.48648	0.5
172.95763	0.7
173.08156	4.7
173.09625	25.1
173.13271	100.0
173.34055	0.5
174.13741	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03939	1.2
55.01862	1.5
55.05514	16.0
57.03427	1.6
59.04993	3.0
60.04533	1.5
63.97342	0.7
64.11611	0.7
67.05517	5.9
69.03416	3.2
69.07062	3.5
70.07396	0.8
70.65576	1.8
70.95847	1.5
71.04983	2.2
72.93797	7.4
73.02911	0.6
76.02211	0.9
79.05485	2.6
79.86533	0.7
81.03395	1.0
81.07060	13.0
83.04986	19.1
84.04523	1.1
85.02922	0.8
85.06555	2.6
86.09699	2.3
87.04444	2.1
87.24487	0.7
89.02372	1.0
90.90373	3.8
90.94848	5.5
91.05483	9.4
93.07019	1.7
95.04984	1.2
95.08612	6.3
96.04429	0.8
97.02911	3.8
97.06532	7.1
99.04451	2.8
99.06346	0.7
99.08087	1.1
100.11263	0.7
101.06025	13.6
103.05473	0.7
105.07033	8.2
109.06502	1.5
109.10151	2.3
111.04454	26.0
111.08076	0.9
111.11712	2.9
111.98470	0.9
113.06007	3.2
113.09659	0.9
113.96347	1.3
114.05546	1.6
115.05422	2.0
116.06247	2.0
117.07040	7.9
119.08578	10.4
127.07551	2.3
128.06258	1.4
129.05501	7.1
129.06990	8.0
130.07782	2.8
131.08575	60.0
131.92995	2.5
131.96129	0.8
132.95787	3.6
133.10123	3.0
137.05997	1.0
137.13284	1.9
143.08577	17.4
144.09338	5.4
145.06477	2.4
145.07607	1.6
145.10129	24.0
146.06047	1.2
149.94073	4.2
149.96117	2.3
149.97157	0.7
150.96907	2.1
155.03421	1.5
155.07062	17.6
155.08459	2.0
155.10657	1.4
155.14359	1.2
155.97386	1.3
156.09322	0.9
157.10168	0.9
158.07317	1.6
158.10922	29.5
167.97209	1.4
171.11664	1.8
173.05925	1.8
173.08119	29.3
173.09668	5.9
173.13268	100.0
173.98517	1.0
174.07683	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	173.1174
Annotation	(2E)-9-hydroxynon-2-enoic acid
Peak:m/z	Relative Intensity
53.03943	0.7
53.17422	0.5
55.05514	9.6
57.03429	1.9
57.07076	2.2
59.05003	1.7
60.96427	0.6
62.87762	0.6
64.39187	0.6
67.05507	13.1
69.03435	1.3
69.07072	22.9
69.75423	3.3
71.04999	6.8
72.93789	2.7
79.05496	2.5
81.07063	9.3
83.04993	8.0
83.08630	0.6
85.02856	0.6
85.06557	4.8
85.10197	0.6
87.04475	0.6
90.90381	2.1
90.94823	2.1
91.05491	4.9
93.07063	4.1
95.04997	1.3
95.08609	100.0
96.08929	0.9
97.02915	0.5
97.06508	0.8
98.20885	0.7
99.04446	1.6
99.08115	2.2
101.06020	6.7
105.07041	4.9
109.09470	1.1
109.10164	10.2
111.04449	12.3
113.06011	2.4
113.09649	96.6
114.09992	0.6
115.05457	1.1
116.06261	1.2
117.07027	2.8
119.08588	5.9
127.07575	1.4
129.05475	2.4
129.07002	3.8
130.07776	1.3
131.08571	26.9
131.92996	0.8
132.95833	0.7
133.10092	0.9
134.34755	0.6
137.09633	5.2
137.13239	0.6
143.08589	6.8
144.09325	2.4
145.06499	1.0
145.10146	11.9
149.94025	1.0
149.96130	1.0
155.03474	1.0
155.07034	8.0
155.10664	1.3
155.14311	2.0
158.07356	0.8
158.10915	12.8
158.11969	0.6
167.97136	1.2
171.11743	0.6
173.04518	0.9
173.05849	1.2
173.08199	12.6
173.09659	2.2
173.13271	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01863	4.3
55.05515	26.0
56.76685	1.4
57.03456	7.7
57.07065	4.4
59.05006	8.3
59.18444	1.4
67.05515	27.0
69.03429	2.5
69.07075	22.3
69.68254	1.4
70.06573	1.5
71.05000	11.8
71.45147	2.7
72.04525	40.7
73.06558	1.8
79.05508	17.6
81.07064	38.4
83.04977	9.4
83.08633	22.3
84.04469	1.6
85.02923	3.1
85.06534	4.7
89.07169	35.7
91.05470	12.8
93.07055	78.2
95.04926	2.8
95.08619	61.6
97.06536	36.2
97.10130	2.2
99.08056	2.7
100.11230	2.1
105.03375	2.6
105.07018	4.5
107.08607	100.0
107.27863	1.7
108.08945	1.9
109.02855	2.1
109.06533	3.8
109.10168	66.0
111.04417	5.3
111.08092	8.6
113.09678	2.1
115.05437	1.9
119.08620	1.6
123.11712	24.1
125.05988	5.4
125.09647	6.1
127.03950	1.7
128.06209	6.9
129.07002	3.3
130.86938	1.5
135.11708	82.8
136.12019	1.8
139.00267	5.9
141.06989	2.5
143.08557	15.5
153.01810	3.5
153.05579	1.6
153.06911	2.1
153.09108	4.3
153.12752	17.8
156.09357	20.0
157.01381	2.8
171.02852	6.3
171.05553	4.7
171.08017	6.7
171.09258	12.4
171.11655	23.2
171.14969	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1382
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
53.03944	2.1
55.01863	4.3
55.05515	26.0
56.76685	1.4
57.03456	7.7
57.07065	4.4
59.05006	8.3
59.18444	1.4
67.05515	27.0
69.03429	2.5
69.07075	22.3
69.68254	1.4
70.06573	1.5
71.05000	11.8
71.45147	2.7
72.04525	40.7
73.06558	1.8
79.05508	17.6
81.07064	38.4
83.04977	9.4
83.08633	22.3
84.04469	1.6
85.02923	3.1
85.06534	4.7
89.07169	35.7
91.05470	12.8
93.07055	78.2
95.04926	2.8
95.08619	61.6
97.06536	36.2
97.10130	2.2
99.08056	2.7
100.11230	2.1
105.03375	2.6
105.07018	4.5
107.08607	100.0
107.27863	1.7
108.08945	1.9
109.02855	2.1
109.06533	3.8
109.10168	66.0
111.04417	5.3
111.08092	8.6
113.09678	2.1
115.05437	1.9
119.08620	1.6
123.11712	24.1
125.05988	5.4
125.09647	6.1
127.03950	1.7
128.06209	6.9
129.07002	3.3
130.86938	1.5
135.11708	82.8
136.12019	1.8
139.00267	5.9
141.06989	2.5
143.08557	15.5
153.01810	3.5
153.05579	1.6
153.06911	2.1
153.09108	4.3
153.12752	17.8
156.09357	20.0
157.01381	2.8
171.02852	6.3
171.05553	4.7
171.08017	6.7
171.09258	12.4
171.11655	23.2
171.14969	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1381
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.03941	5.4
54.04834	1.9
55.01869	13.4
55.05513	49.2
57.03434	16.5
57.07077	10.0
57.20463	2.3
59.04992	8.6
65.03928	3.7
67.05508	49.8
68.99798	2.6
69.03432	5.9
69.07072	70.3
69.91988	3.8
69.92400	8.4
70.94234	2.5
71.04996	54.8
72.04520	40.9
72.08160	2.2
73.02910	2.0
73.06558	14.1
77.03951	2.3
79.05496	41.3
81.07059	100.0
83.01316	2.6
83.04980	21.7
83.08619	35.2
84.04535	2.4
85.02914	5.4
85.06539	18.2
87.04490	2.6
89.07159	36.1
91.05486	14.6
92.06407	1.9
93.07048	76.4
93.07639	4.0
95.04977	8.6
95.08614	41.2
97.06535	56.3
97.10197	4.9
98.20856	2.4
99.08090	10.2
105.07054	5.9
107.08598	99.5
108.08948	2.7
109.02852	3.0
109.06532	4.9
109.10162	58.1
111.04446	15.2
111.08096	29.7
115.05429	2.7
123.11707	26.0
125.02456	2.5
125.09647	13.0
127.11182	3.3
128.06252	4.3
129.06972	1.9
135.08073	6.2
135.10693	4.1
135.11699	64.1
139.00296	5.8
139.03940	5.7
141.07033	3.5
141.12744	31.0
143.08597	7.7
144.07983	2.2
153.01825	2.5
153.07195	2.2
153.09123	19.8
153.12759	65.5
156.09344	12.8
171.02902	7.5
171.04239	2.5
171.05577	5.5
171.08051	5.6
171.10164	7.0
171.11603	11.7
171.13763	11.6
171.14957	33.4
190.57880	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1381
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
53.53338	5.6
55.05515	31.5
57.03436	5.4
57.07080	6.5
59.05016	6.1
67.05495	22.2
69.07074	100.0
69.35358	35.8
71.04986	14.7
72.04523	53.1
73.06551	5.0
79.05505	10.4
81.07065	45.8
83.05001	13.1
83.08636	34.7
84.23793	4.4
86.71440	5.2
89.07169	44.4
91.05506	7.5
93.07071	33.7
95.08606	28.0
97.06528	19.5
107.08599	37.3
109.10165	30.1
111.08122	8.8
128.06236	6.0
129.07036	5.8
135.11708	40.9
143.08578	12.7
153.12762	28.2
156.09390	14.4
171.03064	5.4
171.05592	6.7
171.11723	19.1
171.13794	5.4
171.14981	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	171.1169
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
53.03952	0.5
55.05509	4.7
56.96569	0.9
65.03954	0.3
67.05507	0.3
69.07080	0.7
71.11908	0.6
71.12263	0.4
72.04519	11.6
79.05493	1.9
81.03400	0.4
83.08626	3.0
84.04556	0.3
84.76208	0.4
86.59628	0.3
89.07158	8.7
91.05475	2.8
91.87712	0.3
93.07049	0.9
100.11253	4.5
103.05446	0.4
105.07030	3.2
115.05450	2.8
117.07042	0.7
125.02264	0.3
128.05270	0.7
128.06224	14.4
129.07008	23.4
130.07805	2.6
131.08583	1.4
141.07002	10.1
142.07784	9.7
143.08565	43.6
144.08907	0.4
145.06485	0.7
155.06038	1.4
155.08617	3.1
156.09352	47.5
157.09660	0.8
160.55350	0.3
169.10149	1.0
171.11691	100.0
172.12102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1169
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
55.05518	2.7
67.05522	0.5
68.97965	0.4
69.07068	0.4
70.87862	1.0
72.04516	7.6
72.04872	0.5
79.05512	1.5
79.80909	0.4
83.08608	2.1
84.04557	0.4
88.87321	0.4
89.07151	5.5
89.07608	0.5
91.05507	1.6
93.07040	0.6
95.13767	0.4
97.12528	0.3
97.31185	0.4
100.11263	2.8
105.07014	1.9
115.05470	1.6
128.06224	14.0
129.07011	12.0
130.07808	1.2
131.08591	0.8
141.06990	17.4
142.07787	9.2
142.08810	0.7
143.08565	37.1
145.06516	0.5
153.06920	0.6
154.07756	0.4
155.06050	1.1
155.08559	5.6
156.09349	87.4
157.09760	1.1
169.10110	0.7
171.08073	7.3
171.11690	100.0
172.12039	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1017
Annotation	Boonein
Peak:m/z	Relative Intensity
53.03953	0.7
55.01879	3.7
55.05273	0.9
55.05514	11.7
57.03442	4.0
57.07087	1.3
59.04986	2.1
59.06111	0.7
63.02711	0.9
65.03937	3.3
67.05508	67.5
68.99779	0.9
69.03432	2.4
69.07068	9.0
69.42596	5.8
70.06584	3.5
71.04991	2.5
72.04522	12.8
73.02924	9.0
79.05499	44.9
81.07063	47.3
83.04984	12.0
83.08621	7.6
84.04554	0.8
84.08139	1.0
85.02895	1.0
85.06545	1.2
86.09696	1.3
86.72661	0.7
87.04478	1.8
88.95291	1.2
89.07155	8.6
91.05492	7.0
93.03411	3.8
93.07043	8.8
95.04994	1.9
95.08612	4.8
95.69534	0.8
97.06542	5.6
97.10166	1.8
98.09731	1.1
99.04407	0.9
105.07020	4.9
107.04990	2.0
107.08601	100.0
109.02859	1.2
109.06525	3.1
109.10169	24.6
111.04450	35.6
111.08086	3.6
112.07605	2.0
115.05476	1.5
117.07038	2.1
119.06084	1.4
122.69336	0.7
125.05982	1.1
125.09640	17.1
127.03992	0.9
128.06203	0.8
129.95378	0.9
135.08064	12.5
135.11732	3.4
139.00261	3.7
143.06053	0.7
143.08568	2.9
149.54417	0.6
153.01878	0.9
153.09114	70.0
153.12715	2.4
154.09575	0.9
156.09338	2.9
171.02875	3.2
171.04245	1.2
171.05560	1.6
171.10185	48.9
171.14952	10.6
175.61470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1017
Annotation	Isoboonein
Peak:m/z	Relative Intensity
52.34499	1.0
55.01870	6.7
55.05269	1.4
55.05507	16.5
56.96542	1.1
57.03440	5.7
57.07072	1.9
59.04995	3.1
62.31716	1.4
65.03929	4.4
67.05507	62.8
68.99749	1.3
69.03409	3.9
69.07067	18.6
70.06590	8.0
70.30943	2.2
70.31303	2.3
70.60274	1.0
70.94242	1.4
70.98113	1.9
71.04980	5.2
72.04520	22.3
73.02909	7.1
79.05497	42.2
81.03415	1.7
81.07061	43.8
82.04848	1.0
83.04543	1.4
83.04987	12.5
83.08620	10.9
84.08148	1.6
84.59908	1.0
85.02917	1.7
85.06528	1.8
86.11575	1.1
87.04445	3.3
89.07154	16.8
91.05483	8.5
93.03398	4.5
93.07049	12.5
95.04958	2.0
95.08619	6.4
97.06535	10.2
97.10172	2.1
98.09698	1.5
99.02068	1.1
105.07028	4.4
107.04956	2.2
107.08600	100.0
108.08916	1.3
109.02834	1.8
109.06488	3.5
109.09487	1.0
109.10158	27.4
111.04445	38.6
111.08086	7.3
112.07589	3.8
115.05434	3.3
117.07016	2.6
119.06035	1.3
123.11681	1.6
125.02429	1.4
125.05960	1.5
125.09634	17.9
126.09142	1.2
127.03951	1.6
128.06218	3.1
129.07016	2.0
130.08661	1.5
135.08047	9.2
135.11682	4.8
135.77762	1.0
139.00267	5.6
139.03883	1.9
141.06987	2.2
142.07796	1.6
143.03381	1.2
143.04845	1.5
143.08551	4.2
143.33783	1.2
148.02138	1.2
153.09108	61.6
153.12701	3.2
156.09392	11.9
157.01335	2.3
171.02890	3.3
171.05507	2.4
171.10152	41.9
171.11664	12.2
171.13097	1.3
171.13649	1.7
171.14948	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0653
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03929	1.1
53.81252	0.5
54.86296	0.4
55.01878	7.2
55.05514	6.2
56.96566	7.4
57.03437	0.7
57.07077	0.7
65.03944	19.2
65.04289	1.0
67.05515	3.0
68.99795	7.9
69.03445	2.9
69.07068	2.1
70.06588	0.6
70.22234	1.9
70.94273	1.7
71.01357	0.7
71.04990	0.9
72.04517	10.2
78.83705	0.5
79.05500	2.9
81.03413	3.8
81.07056	2.0
83.01357	0.8
83.04980	9.7
83.08633	2.9
84.08140	0.7
85.02912	1.4
87.04490	0.6
88.95290	0.8
89.07159	7.9
91.05488	0.5
91.52131	0.7
93.03408	8.2
93.07070	1.4
95.01659	1.0
95.04973	2.9
95.08601	0.8
96.02109	0.9
97.02926	1.8
97.06545	1.9
97.10195	0.7
98.97603	0.9
101.00932	0.9
107.01321	0.9
107.04926	1.2
107.08598	1.6
109.02896	2.2
109.06491	1.0
111.00887	0.7
111.04449	70.8
111.08087	1.5
111.69752	0.5
112.07608	0.7
113.53214	0.6
114.96165	0.7
115.05412	0.8
116.02151	1.0
116.98654	0.6
118.01857	0.8
119.01899	1.1
121.02901	1.3
121.03998	6.9
123.50883	0.6
125.02528	1.9
125.06004	1.9
125.07980	0.7
125.09687	1.2
126.09145	0.6
127.03928	1.9
128.98587	0.5
129.03906	0.5
129.53638	2.7
130.96349	0.6
132.51363	0.5
135.04439	1.2
138.54140	4.5
139.00298	9.5
139.03908	100.0
140.04236	0.7
143.00194	0.5
143.08559	1.1
147.54684	3.4
147.94493	0.6
147.96573	0.6
148.04816	0.5
152.04596	0.5
153.01845	3.9
153.05501	1.6
153.09126	0.8
156.09218	0.6
157.01353	5.0
168.02435	0.7
171.02939	4.5
171.06549	9.3
171.07886	0.7
171.10060	0.6
171.11665	0.9
171.13638	0.8
171.14946	7.7
172.09750	0.5
177.03102	0.8
189.00673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	(6E)-8-Oxogeraniol
Peak:m/z	Relative Intensity
51.15086	1.7
53.03950	8.6
54.60872	1.4
55.01863	6.3
55.05516	24.1
56.96554	2.3
57.03434	4.5
57.07064	6.6
59.04996	4.1
59.51831	1.7
62.16171	1.7
65.03936	3.2
67.05513	30.8
68.99780	4.1
69.03089	2.2
69.03434	36.3
69.07082	11.2
69.63704	6.4
69.64109	3.5
70.06258	2.4
70.06602	32.5
71.05000	39.1
71.06306	2.4
71.06934	19.6
79.05497	18.8
81.03432	10.6
81.07061	97.0
83.04978	23.3
83.08631	3.0
85.02919	18.3
85.06528	6.2
91.05470	5.7
93.07077	14.2
95.04978	14.1
95.08057	2.7
95.08615	31.8
97.06528	6.3
99.04461	2.9
99.08083	6.6
105.07023	15.0
107.04961	2.1
107.08601	22.5
109.02889	63.2
109.06525	38.8
109.10162	34.5
111.00776	2.7
111.04475	3.6
111.08104	17.8
120.05517	1.8
120.08491	1.6
121.10170	2.1
123.04429	32.0
123.08075	26.0
123.11709	43.4
124.12075	2.1
126.03153	3.5
127.03925	12.7
127.07511	2.3
131.03409	3.6
133.02817	2.7
133.06523	4.4
133.10118	6.8
138.16913	1.7
139.11168	8.0
141.05472	14.9
151.03909	45.3
151.07530	21.2
151.11186	15.2
155.58418	1.8
162.61993	1.8
166.36372	1.7
169.04973	100.0
169.07523	4.5
169.08736	26.1
169.10060	2.3
169.12273	13.4
169.14082	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	169.1225
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
50.14472	1.3
53.03956	3.4
55.01865	6.6
55.05510	9.4
57.03431	2.9
57.07071	3.6
59.05003	48.8
60.03941	1.4
65.03940	1.8
67.05177	2.6
67.05508	32.3
69.03431	12.7
69.07070	37.5
71.05001	12.9
79.05498	13.2
81.03434	3.0
81.07058	91.2
83.04987	4.8
83.08619	2.8
85.02914	2.7
85.06558	5.1
87.04479	8.3
89.06026	2.8
91.05495	11.6
93.07045	34.7
95.04974	15.3
95.08612	25.6
97.06515	5.1
97.10142	1.6
98.21513	4.1
99.04455	2.8
104.40144	1.4
105.07040	24.7
107.08600	20.0
108.03905	1.3
109.02886	4.5
109.06517	48.2
109.10162	61.7
111.04443	2.3
111.08079	35.1
113.05973	2.5
115.05442	1.7
121.10154	6.3
123.04443	5.8
123.08071	16.8
123.11710	69.8
124.12091	1.4
125.09616	9.4
126.03123	4.1
127.07651	1.6
133.10135	14.4
141.05475	8.6
149.94698	1.9
151.03912	3.4
151.11189	100.0
169.04950	5.6
169.07608	13.2
169.09900	2.4
169.12257	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	169.0861
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
53.03951	13.5
55.01871	9.9
55.05513	35.8
55.60867	2.0
57.03436	8.2
57.07076	2.4
58.17269	1.6
59.04998	2.7
63.09475	1.5
65.03939	3.6
67.05513	25.8
67.36356	1.5
68.99788	4.6
69.03436	51.4
69.07066	7.5
70.06602	21.5
71.04646	2.9
71.05000	26.8
71.06920	14.7
71.37190	2.7
77.78950	1.4
79.05496	19.9
81.03417	13.0
81.07069	72.0
83.04990	48.0
83.05762	1.5
83.08642	3.4
83.89527	1.5
85.02910	21.5
85.06536	4.7
91.05494	8.1
93.07054	13.3
95.04981	14.6
95.08612	41.9
96.16010	1.7
97.06535	5.4
99.04478	4.3
105.04517	2.2
105.07041	19.5
107.04961	3.6
107.08605	17.9
109.02890	100.0
109.06526	66.1
109.10150	20.5
111.00797	3.9
111.04458	3.3
111.08102	18.2
113.02364	3.2
113.06020	2.4
114.06563	1.5
114.85876	1.6
123.04442	13.2
123.08086	38.9
123.11710	24.0
125.06011	2.2
126.03121	6.7
127.03938	22.3
131.03423	5.2
133.06514	7.3
133.10155	3.3
141.05493	14.9
141.09071	2.3
151.03938	13.1
151.07562	35.9
151.11182	11.0
169.05003	33.2
169.07568	4.4
169.08688	46.1
169.10086	3.9
169.12317	7.4
169.14214	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	169.086
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
53.03942	5.6
55.01875	5.3
55.05514	7.2
56.96551	0.8
57.03418	1.4
65.03921	1.8
67.05506	15.9
68.99457	0.8
68.99793	14.0
69.03436	3.8
69.07085	2.9
69.07374	0.7
70.06593	11.7
71.04990	3.5
71.06931	7.9
71.54147	1.1
71.68052	0.6
77.03972	0.5
79.05070	0.8
79.05496	10.8
81.03418	14.5
81.06596	1.3
81.07060	23.5
83.04984	14.2
83.08603	3.9
85.02897	1.5
85.06529	1.9
91.05498	4.8
93.07050	7.5
95.01330	0.7
95.04977	7.5
95.08612	27.6
97.06533	2.1
99.04449	3.5
99.08088	1.1
105.07035	13.2
107.04961	9.2
107.08585	4.9
109.02885	60.7
109.06525	6.4
109.10172	7.4
111.00838	0.9
111.04429	2.5
111.08094	5.2
113.05991	0.8
114.01592	0.6
121.10120	0.8
123.00794	2.5
123.04445	5.7
123.08079	26.1
123.08970	1.4
123.11727	3.7
124.04630	1.1
125.00555	0.7
125.05946	0.6
125.09621	1.7
125.32943	0.6
126.03160	2.7
127.03922	100.0
128.04286	1.0
133.02888	0.8
133.06474	4.0
133.10124	2.5
141.05479	6.5
141.06984	1.1
141.09081	1.3
151.03941	4.4
151.07544	27.0
151.11169	3.2
168.99556	4.1
169.05029	8.7
169.08646	63.4
169.14238	1.0
170.09431	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	480-66-0
Peak:m/z	Relative Intensity
53.03943	0.9
54.63116	0.6
55.01864	1.5
55.05516	2.8
57.03448	1.2
57.07061	1.0
57.74222	0.5
59.05000	0.9
63.71510	0.5
65.03931	1.3
67.01868	14.1
67.05507	8.1
68.99776	2.8
69.03429	1.4
69.07068	2.7
71.04999	4.0
71.52441	0.7
79.05497	4.5
81.03421	1.2
81.06591	1.2
81.07058	19.4
83.04972	2.8
85.02911	10.4
85.06542	3.5
91.05472	1.8
93.07073	2.8
95.01292	0.5
95.04970	5.8
95.08613	8.0
97.06534	1.4
99.04440	1.0
99.08102	1.2
103.16188	0.5
105.07034	1.9
107.08614	2.7
107.24144	0.6
109.02862	4.0
109.06522	6.0
109.10165	7.2
111.00803	0.7
111.04460	0.6
111.08096	2.6
113.05994	1.7
123.04436	23.1
123.08057	4.1
123.11703	7.4
124.04742	0.6
125.09600	1.2
126.03166	0.9
127.03925	16.1
129.16170	0.6
133.02876	0.7
133.10133	1.3
141.05469	2.2
141.06731	0.5
151.03912	53.7
151.07510	2.8
151.11198	4.6
152.04254	0.8
169.04971	100.0
169.07523	3.7
169.12247	2.5
169.13928	0.5
170.05336	1.5
174.24138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
58.09903	0.5
65.69054	0.5
67.01862	3.2
67.05507	2.6
68.99786	1.8
70.06588	1.9
70.13195	1.1
70.13583	1.2
71.04995	0.5
71.06927	0.7
73.84060	0.4
81.03383	0.4
81.07056	1.3
83.04963	0.6
83.90405	0.5
85.02903	0.7
95.04980	5.0
109.02897	0.7
123.04434	29.9
123.11734	0.6
127.03924	8.8
133.10143	0.6
140.93105	0.4
151.03908	46.9
151.11118	0.5
151.84734	0.4
152.04381	0.6
157.03714	0.4
166.65399	0.5
169.04970	100.0
170.05299	1.2
170.63618	0.4
178.89299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41383	1.9
56.96578	4.8
69.59376	6.9
69.59804	5.3
81.00987	2.0
85.02895	2.1
91.95683	1.8
93.00632	2.1
98.97576	3.7
103.00649	2.3
119.01803	2.0
145.03592	2.2
168.06331	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1384
Annotation	Kinabalurine C
Peak:m/z	Relative Intensity
53.03946	1.0
53.72683	0.5
55.05508	5.1
57.03432	1.9
57.07073	0.8
59.78490	0.5
65.03942	0.6
67.05501	7.8
68.34986	0.5
68.56436	0.6
69.03456	0.9
69.07070	1.4
69.18454	4.8
69.18868	1.1
70.06596	100.0
71.05038	0.7
79.05498	5.0
80.05064	0.6
81.07060	24.1
83.04988	2.3
85.02911	1.5
86.64510	0.7
91.05484	25.0
92.05803	0.6
93.07058	2.9
94.06608	0.6
95.04979	2.2
95.08623	1.7
97.06530	0.9
98.21474	1.1
105.07061	3.9
107.08615	2.0
108.08150	0.8
109.02935	0.8
109.06523	5.0
109.10147	1.3
121.10215	0.8
122.03256	0.8
122.09689	2.2
123.11711	4.0
127.03986	0.6
133.10127	2.5
139.11119	0.6
150.05324	0.6
150.06418	0.7
150.09206	0.7
150.12796	2.8
151.03932	0.7
151.11195	9.2
165.72110	0.5
168.07443	3.8
168.13847	49.5
179.04071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29624	0.4
55.01868	0.4
55.05505	0.8
67.01870	3.6
67.05507	3.9
68.99781	1.9
69.07033	0.7
69.70056	1.8
70.06593	6.6
71.04971	1.2
71.06934	4.2
79.05474	0.5
81.03432	0.8
81.07056	4.8
83.04995	2.0
83.08577	0.4
85.02909	2.4
91.05489	0.8
93.07021	0.5
95.04966	5.5
95.08603	1.0
95.84811	0.4
97.06503	0.6
98.21584	0.7
99.04457	0.6
103.94347	0.4
105.44367	0.4
107.08598	1.8
109.02842	1.2
109.06494	0.5
109.08013	0.6
109.10168	1.1
111.08056	0.7
122.02404	0.7
123.04430	26.8
123.08089	0.5
123.11689	2.0
127.03920	8.2
133.10159	0.5
141.05426	0.9
146.11684	0.4
151.03908	42.1
151.11157	1.5
152.03368	2.0
169.04965	100.0
169.14162	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.00311	1.3
53.03939	3.8
55.01862	1.2
55.05511	15.5
57.03436	2.5
57.07068	4.3
59.04993	2.8
65.03949	2.3
67.05505	26.9
69.03425	3.0
69.07068	22.3
70.79034	2.0
71.04991	37.3
73.06551	17.2
77.03951	1.2
78.04700	2.2
79.05489	21.4
81.03420	1.3
81.07052	29.8
83.04971	4.6
83.08617	6.2
85.06528	3.3
87.08088	1.0
91.05463	9.6
93.07043	49.6
95.04958	4.1
95.08605	100.0
97.06532	7.7
97.10135	1.1
103.00644	1.8
105.03384	9.1
105.04510	1.3
105.07014	5.9
106.04155	1.0
107.04952	2.1
107.08591	47.3
109.06519	8.2
109.10147	19.8
111.04454	2.9
111.08049	6.2
111.52544	0.9
119.04988	0.9
121.01662	3.5
121.02911	1.9
121.06515	2.8
121.08404	1.6
121.10145	29.4
123.04417	5.0
123.08062	3.5
123.11709	6.6
124.05213	2.3
125.05994	1.7
125.09646	5.7
131.08560	2.4
136.67751	1.1
139.02959	1.1
139.03868	4.5
139.07520	1.5
144.03195	2.6
149.02319	4.8
149.09624	4.3
149.13257	29.7
152.04729	1.4
152.32329	1.0
162.04335	1.1
167.03398	2.4
167.07045	23.2
167.08484	1.9
167.10614	5.9
167.14319	13.1
167.15559	1.7
183.11780	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.05517	58.7
57.07078	9.5
58.75251	1.7
67.05502	3.4
67.86074	1.9
69.07074	100.0
70.99770	3.4
71.08650	7.8
79.05486	1.9
83.08626	29.7
85.10168	3.4
87.76057	1.6
97.10179	42.3
111.11719	15.8
121.08351	2.1
121.10120	3.0
125.08237	8.1
145.95657	1.8
149.02299	3.8
167.10634	2.4
167.15434	6.1
177.48807	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1433
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03945	4.7
55.01876	1.7
55.05519	10.8
57.03439	2.8
57.07080	3.0
59.05005	2.1
65.03946	1.9
65.06878	1.1
66.03405	1.0
67.05188	1.3
67.05518	18.6
69.03428	3.9
69.07076	12.6
71.05002	21.2
71.53914	1.3
73.02921	1.9
73.06561	7.1
75.04501	1.7
78.04720	2.7
79.05503	29.9
81.03426	1.8
81.07067	38.0
83.04556	1.0
83.04993	6.2
83.08627	5.7
85.06543	3.2
91.05499	10.9
93.07056	79.9
95.04987	5.4
95.08617	58.2
95.09243	1.5
97.06550	9.5
99.05115	1.1
103.00634	1.4
105.04510	1.6
105.07049	10.8
107.04961	5.7
107.08608	37.7
109.06514	6.2
109.10156	9.7
111.04465	2.3
111.08103	9.8
119.08600	1.5
121.01723	3.3
121.02881	1.3
121.06554	5.3
121.10158	100.0
122.10499	1.6
123.04448	4.9
123.08083	3.1
123.11730	11.2
124.05243	3.3
125.06010	10.1
125.09653	3.3
131.08607	4.7
139.07562	3.7
139.11192	9.3
144.03256	2.7
149.02373	4.5
149.06041	2.3
149.09648	12.8
149.13284	17.0
152.04750	2.3
167.03424	4.3
167.07076	34.3
167.08504	1.6
167.10704	19.2
167.11971	1.0
167.14288	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	167.1433
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03947	2.0
55.01883	1.6
55.05521	17.6
56.96548	1.7
57.03430	3.0
57.07067	5.6
57.96876	1.3
59.04989	4.5
60.52911	1.4
61.76442	1.3
63.54269	1.5
65.03936	1.8
67.05184	1.9
67.05511	27.6
69.03423	2.7
69.07075	22.4
70.72973	4.5
71.05003	40.4
73.06567	19.1
78.04734	2.6
79.05077	1.9
79.05502	27.7
81.03418	1.9
81.06590	2.4
81.07063	43.2
83.04994	7.9
83.08633	10.0
85.06525	4.9
91.05495	10.3
92.98473	1.3
93.06490	3.2
93.07057	50.6
94.06572	1.8
95.04949	4.1
95.08618	100.0
97.06516	6.2
97.10181	1.4
99.08142	1.6
103.00604	1.7
105.07018	6.4
105.73381	1.3
107.04982	2.4
107.08611	62.4
109.06535	4.1
109.10168	27.5
111.04459	2.8
111.08103	7.6
121.01690	4.3
121.06527	3.1
121.08469	2.4
121.10155	35.1
123.04436	5.8
123.08058	3.6
123.11716	9.5
124.05177	2.9
125.05998	1.6
125.09631	4.2
126.06003	1.4
131.08600	1.6
139.03896	2.9
139.11198	1.9
144.03265	3.1
149.02376	3.5
149.09647	5.3
149.13274	35.1
150.09102	1.7
151.03848	2.1
167.03389	5.0
167.07066	28.5
167.10698	5.3
167.14322	18.8
167.15588	1.8
171.93918	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02383	0.6
53.03942	3.4
55.01870	1.2
55.05501	2.2
55.45261	0.5
57.03452	3.4
57.03694	0.7
57.07061	1.1
59.05013	0.5
59.39063	0.6
67.05505	2.5
69.03424	1.5
69.07073	2.0
70.98196	0.9
71.04977	1.0
72.08164	0.9
75.04488	5.5
76.15231	0.5
78.04706	1.2
79.05500	11.0
81.07059	6.9
83.05004	1.1
83.08653	0.6
91.05483	10.9
93.07048	100.0
94.07369	0.7
95.04956	3.4
95.08606	4.7
97.06535	2.2
103.05498	0.9
105.03456	0.7
105.04507	1.0
105.07037	6.9
106.04166	1.1
107.04962	1.5
107.08604	10.6
109.06541	1.9
109.10186	1.0
111.04448	1.5
111.08085	17.3
119.08594	1.7
121.01625	0.6
121.06519	1.2
121.10150	59.1
123.04427	2.5
123.08106	1.7
123.11721	1.9
124.05231	0.8
125.06023	1.6
125.09637	1.5
130.74915	0.5
131.08571	2.0
133.07639	1.1
139.07596	0.7
139.11203	3.4
142.64174	0.6
149.02377	1.6
149.04935	0.5
149.06056	0.7
149.09630	7.2
149.13277	0.9
167.03401	1.5
167.05656	1.2
167.07047	13.0
167.08440	1.1
167.10670	8.0
167.14360	0.8
170.33673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03943	2.5
55.01865	1.2
55.05500	1.8
57.03167	0.5
57.03436	3.2
57.07070	0.4
59.04974	0.5
64.92270	0.4
67.05489	1.4
69.03419	0.8
69.07057	1.1
71.54121	0.5
73.68021	0.4
75.04481	8.1
77.03915	0.6
78.04704	0.9
79.05492	7.9
81.07062	4.3
83.05000	0.8
83.08614	0.5
83.42931	0.4
84.93748	0.5
91.05482	10.6
93.07043	100.0
94.07361	0.7
95.04977	3.3
95.08597	2.4
96.82269	0.4
97.06521	2.0
103.00642	0.5
105.04503	1.3
105.07024	4.4
107.04911	0.5
107.08586	6.0
109.06508	1.3
109.10149	0.9
111.04490	0.5
111.08080	17.0
119.08586	1.2
121.01659	0.9
121.06551	0.9
121.10143	47.4
122.46821	0.4
123.04446	1.1
123.08051	1.5
123.11708	1.2
124.05207	0.5
125.05995	1.5
125.09670	0.7
131.08577	1.4
133.07603	0.8
139.07603	0.5
139.11206	1.5
144.03261	0.6
149.02380	0.9
149.09618	6.3
149.13335	0.7
167.03349	0.9
167.07062	7.2
167.08438	1.0
167.10678	7.0
167.11923	0.6
167.14319	1.3
172.27522	0.4
188.01646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03939	1.8
55.01872	2.0
55.05508	4.2
57.03427	2.2
57.07068	2.0
59.04996	2.4
65.03944	0.7
67.05186	0.6
67.05512	7.4
69.03429	1.5
69.07095	3.8
69.45713	1.4
69.46146	2.9
71.05007	5.1
73.02917	2.2
73.06554	1.5
75.04484	2.3
77.03911	0.9
78.04714	0.9
79.05502	21.9
81.03421	0.7
81.07065	29.3
83.05000	3.2
83.08629	1.2
85.06554	1.2
85.89584	0.6
91.05489	9.4
93.03442	0.7
93.07053	62.6
95.04983	2.4
95.08614	22.5
97.06535	6.0
97.10185	0.7
103.05451	1.5
105.03430	0.8
105.04549	1.1
105.07029	10.9
106.04150	0.7
107.04958	3.7
107.08601	17.1
109.06538	4.0
109.10177	2.6
111.04446	2.0
111.08096	6.4
119.06075	0.5
119.08572	2.1
121.01704	1.8
121.06537	3.8
121.10154	100.0
122.10481	0.8
123.04449	2.1
123.08078	3.0
123.11720	12.6
125.06006	10.2
125.09651	1.3
131.08586	3.3
133.07600	1.3
137.38322	0.7
139.07561	1.3
139.11195	12.3
144.03276	1.2
144.66383	0.6
149.02353	1.8
149.09631	12.3
149.13278	3.4
167.03415	1.4
167.07086	11.7
167.08574	1.7
167.10693	16.7
167.14375	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03945	4.4
55.01852	1.1
55.05514	9.5
57.03439	14.0
57.07066	2.0
59.04992	2.6
65.03941	2.6
67.05492	4.5
69.03429	1.9
69.07076	27.9
69.98419	4.7
71.04977	1.8
75.04473	2.8
78.04707	2.3
79.05499	25.3
81.03435	1.2
81.07059	16.0
83.04976	5.2
83.08622	3.0
85.06560	1.2
85.11877	0.9
91.05492	19.7
93.03376	1.2
93.07050	100.0
95.04964	4.0
95.08616	12.1
97.06530	6.4
99.04436	1.7
103.05463	1.6
105.04535	2.4
105.07034	16.3
106.04185	1.7
107.04942	3.8
107.08602	13.9
109.06523	8.3
109.10163	1.4
111.04424	2.5
111.08102	9.4
111.11742	4.7
117.07046	1.1
119.08562	4.3
121.01671	2.0
121.06518	57.0
121.10153	96.0
122.10437	1.3
123.04474	2.6
123.08057	4.9
123.11703	2.2
125.05996	3.5
125.09645	2.8
131.08549	3.5
133.07649	1.3
135.08044	4.4
139.11191	4.8
144.03317	1.3
145.20767	1.0
149.02362	2.4
149.06007	4.5
149.09621	21.1
149.13194	1.4
152.04588	1.1
167.03468	1.9
167.07053	28.9
167.08461	2.3
167.10689	41.2
167.12115	2.1
167.14362	3.6
168.11102	1.3
174.68932	0.9
184.85536	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03947	1.4
55.01867	1.0
55.05523	2.4
56.44993	0.4
57.03422	0.9
57.07075	1.3
59.05003	5.5
65.03936	0.8
67.05510	4.5
69.03426	1.2
69.07059	1.6
69.76260	1.1
69.76672	1.6
71.05003	1.3
72.08161	1.8
73.02935	2.7
75.04501	1.0
77.03906	0.5
78.04704	2.4
79.05497	18.9
80.96069	0.4
81.07059	30.4
83.04987	1.5
85.06558	0.7
91.05484	6.5
93.07049	35.4
95.05000	2.1
95.08614	20.0
97.06532	5.2
99.02842	0.6
103.05497	1.3
105.03400	1.0
105.04480	0.5
105.07037	11.0
106.04201	1.5
106.07846	1.0
107.04999	2.4
107.05613	0.4
107.08598	14.0
109.06560	2.6
109.10106	0.7
111.04472	1.6
111.08066	4.4
119.06043	0.7
119.08607	1.9
121.01664	1.4
121.06526	2.8
121.10151	100.0
122.10524	1.0
123.04424	4.8
123.08096	2.2
123.11712	14.8
124.05228	0.8
125.05993	7.2
125.09606	0.7
131.08585	1.3
133.07625	1.5
139.11191	14.1
144.03262	1.1
149.02361	1.7
149.04919	0.5
149.09634	10.5
149.13286	1.0
150.12802	0.8
151.03900	0.8
152.04645	1.2
152.35793	0.5
167.03302	1.1
167.07053	24.0
167.10683	15.4
167.12096	0.6
167.14240	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Ethylparaben
Peak:m/z	Relative Intensity
50.67449	0.5
53.03955	3.4
55.01862	1.7
55.05527	2.7
57.57393	0.5
65.03947	1.2
67.05495	1.7
69.03437	1.2
69.07059	0.9
70.01389	0.5
70.06609	2.9
71.05001	0.5
71.39629	1.1
73.02924	4.1
77.03928	0.8
78.04733	4.1
79.05501	15.4
80.23198	0.5
81.03413	1.2
81.07067	3.6
83.04974	2.7
83.08623	0.8
85.06554	0.7
87.42772	0.5
89.80115	0.6
91.05486	8.3
93.07051	11.3
95.04990	4.0
95.08601	1.2
97.06533	1.2
103.00626	1.0
103.05481	1.0
105.03384	1.2
105.04510	0.9
105.07023	1.5
106.04186	1.5
107.04947	2.5
107.08610	3.8
109.06522	1.6
109.10147	0.6
111.04459	2.8
111.08080	1.1
119.04931	2.5
121.02876	44.3
121.05648	0.8
121.06508	9.9
121.10155	2.9
123.04435	8.1
123.08078	1.2
124.05206	2.0
125.05933	0.9
125.09613	1.0
134.03645	0.6
139.03929	2.2
139.07553	1.1
144.03246	1.7
149.02397	3.5
149.04971	2.0
149.06012	17.1
149.09621	3.1
151.03915	1.7
152.04709	1.4
164.89017	0.5
167.03452	3.6
167.07051	100.0
167.10730	2.1
167.14343	1.1
168.07401	0.8
168.13849	1.0
188.49290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Ethylparaben
Peak:m/z	Relative Intensity
53.00310	0.4
53.03946	0.9
55.01875	1.9
55.05517	3.0
57.03429	0.4
57.07065	0.4
57.21841	0.4
59.04995	0.4
65.03924	2.1
67.05518	1.5
69.03432	1.6
69.07095	1.0
70.06604	3.2
71.39769	0.5
73.02924	10.8
73.03316	0.7
75.70440	0.3
78.04723	3.1
79.05496	6.7
81.07059	3.3
83.04986	2.7
83.08624	1.1
85.06551	0.5
90.19167	0.4
91.05497	3.4
91.89635	0.4
93.03438	0.6
93.07043	4.4
94.04179	0.4
95.04965	3.9
95.08620	1.4
97.06523	0.7
97.10190	0.5
99.04465	0.5
103.00647	0.9
103.05504	0.7
105.03420	0.7
105.07034	1.4
106.04170	2.3
107.04978	1.2
107.08604	5.3
109.02881	0.6
109.06528	2.6
109.10198	0.6
111.04451	3.8
111.08080	1.1
119.04953	2.7
120.02023	0.5
121.02874	100.0
121.06481	4.9
121.10165	2.9
122.03178	0.7
123.04438	7.3
123.08100	0.9
124.05215	1.9
125.06005	0.7
125.09617	2.0
129.30753	0.4
131.08617	0.5
137.05983	0.7
139.03883	3.7
139.07532	0.7
139.11203	0.6
144.03253	1.3
149.02350	3.7
149.05006	1.0
149.05994	27.7
149.09619	0.9
151.03911	1.4
151.11197	0.4
152.04716	1.2
167.03407	6.1
167.07048	44.9
167.10681	2.4
167.14311	1.6
168.13881	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	166.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.05516	5.9
56.05033	2.0
56.96568	0.6
67.05509	2.3
68.05042	2.4
69.03436	28.4
69.07076	1.7
70.06600	17.6
79.05502	10.6
80.05021	1.5
81.07064	40.7
82.06568	0.6
82.07406	0.4
83.93037	1.3
84.04518	2.3
84.08167	2.2
86.06077	35.4
91.05468	0.6
91.46801	0.5
92.05794	0.5
92.60414	0.5
93.07055	0.9
94.06586	1.6
95.04966	0.5
96.08141	20.7
98.06064	100.0
98.09695	0.8
99.06387	0.8
112.07619	16.9
115.96445	0.7
119.03355	0.4
120.02001	0.8
120.05280	1.2
120.08137	2.8
120.08894	0.7
121.06553	0.9
124.07604	68.4
125.07943	0.5
126.80833	0.4
138.05432	0.6
142.96741	3.8
143.03700	1.1
148.04784	1.4
148.11224	1.3
155.20341	0.4
161.40723	0.4
166.04987	1.0
166.08646	2.3
166.12282	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
50.51984	0.7
53.03936	2.3
55.01868	2.5
55.05519	4.5
56.67256	0.9
57.03439	4.9
58.93577	0.7
65.03931	1.2
67.05507	31.7
69.03438	3.8
69.07077	5.4
70.63759	1.1
70.64099	2.0
71.04987	1.7
77.03933	0.9
79.05496	32.0
81.03414	1.0
81.07060	67.2
83.04982	6.6
83.08602	1.8
85.06557	4.4
91.05486	38.1
93.07050	34.6
94.07415	0.8
95.04975	8.3
95.08606	19.6
97.06540	6.7
99.08089	1.1
101.00868	2.5
103.05502	0.9
105.07037	62.8
106.07368	1.1
107.08604	19.8
109.06517	10.3
109.10169	4.4
117.07002	2.0
119.01920	5.8
119.04954	14.9
119.08588	53.9
121.06510	1.0
121.10149	64.6
123.04365	1.4
123.08063	4.9
123.11715	10.8
124.32667	0.8
131.08563	0.9
137.02992	1.3
137.09605	3.0
137.13251	1.9
142.03523	5.6
142.96689	1.1
145.10114	1.3
147.03241	1.2
147.04425	33.8
147.11694	100.0
148.11932	1.3
160.04552	1.3
165.01886	0.9
165.05508	1.9
165.09108	3.2
165.12764	93.9
166.13069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
51.53942	0.6
51.86185	0.5
55.05512	4.3
57.07082	0.7
65.03959	1.0
67.05512	2.9
69.03441	1.1
69.07068	3.0
69.63507	1.2
69.63907	2.7
71.05009	0.9
79.05511	2.7
81.03418	1.6
81.07064	7.7
83.04996	1.4
83.08639	3.0
83.93081	0.5
91.05486	10.2
93.07060	1.9
94.23661	0.6
95.04975	100.0
95.08614	6.9
101.00887	2.5
105.07024	4.4
107.08605	9.6
109.06528	21.4
109.10168	3.6
119.01939	4.4
119.04947	16.5
119.08572	4.4
120.08123	0.8
121.06519	0.8
121.10168	2.5
123.04386	0.9
123.08064	1.7
123.11705	1.3
137.02982	0.9
137.06021	0.6
137.09608	3.5
137.13272	1.9
142.03490	4.6
142.96748	0.9
147.04424	39.0
147.10553	0.6
147.11691	10.1
152.16031	0.5
160.04573	0.9
165.01936	0.6
165.04305	1.4
165.05463	2.3
165.09113	5.9
165.12762	72.4
166.08571	0.7
166.13129	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1277
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
50.84158	1.0
52.87518	1.0
53.03938	2.2
55.01864	2.5
55.05515	6.5
57.03441	6.4
65.03938	1.9
67.05511	32.8
69.03431	4.7
69.07085	6.0
70.47508	1.9
70.47913	2.1
71.04979	2.4
79.05501	32.2
79.05967	1.6
81.07066	77.0
83.04984	7.8
83.08615	1.6
85.06538	3.5
91.05491	47.2
93.07053	39.0
95.04971	9.3
95.08616	24.1
97.06538	7.7
99.27940	0.9
101.00855	7.1
103.05461	1.6
105.07041	59.8
107.08614	21.4
109.06544	12.0
109.10176	8.6
119.01933	16.8
119.04957	25.3
119.08595	51.2
120.08123	1.5
121.10159	61.5
123.04456	2.2
123.08099	9.2
123.11708	9.6
124.02451	2.9
133.06433	1.3
137.03033	1.8
137.06036	1.3
137.09656	3.6
142.03511	17.6
142.96690	1.5
145.10124	1.8
147.04425	65.8
147.11702	100.0
160.04587	3.6
165.01765	1.1
165.05432	3.2
165.09109	2.2
165.12770	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
52.13367	0.7
52.50595	0.7
53.03954	1.7
53.42820	0.7
55.01877	2.4
55.05515	7.1
57.03437	5.1
57.07084	0.9
65.45955	0.9
67.05507	30.3
69.03431	2.9
69.07071	7.4
69.56486	3.5
69.56901	1.6
69.86057	0.7
71.05000	1.5
75.01516	0.7
79.05495	32.0
81.07058	76.1
82.07378	0.9
83.04985	8.8
85.06528	3.5
91.05479	44.8
93.07047	38.1
93.07642	1.6
95.04977	5.5
95.08607	22.5
97.06527	7.4
98.21529	1.0
99.08095	1.9
101.00895	3.3
101.02559	0.9
105.04542	1.1
105.07034	61.8
107.08594	25.4
109.06511	8.7
109.10160	5.9
117.07050	1.1
119.01940	7.9
119.04956	13.9
119.08583	51.5
121.06506	0.8
121.10146	63.3
122.10485	1.1
123.04377	1.1
123.08086	8.5
123.11714	9.8
135.73743	0.8
137.02979	1.6
137.09628	5.8
137.13242	3.2
142.03517	7.1
145.10085	1.7
147.03233	1.7
147.04411	36.0
147.11688	100.0
148.12042	1.3
160.04546	1.4
165.05460	2.5
165.06909	1.6
165.09137	4.2
165.12755	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03926	2.7
55.01864	2.7
55.05504	7.0
57.03434	7.3
57.07065	2.1
57.79328	1.1
58.78749	1.2
65.03931	2.3
67.05505	32.0
69.03414	4.4
69.07069	8.5
69.36781	9.6
71.04989	3.6
79.05492	31.7
81.07058	85.9
82.99851	1.6
83.04990	7.4
83.08595	1.2
85.06536	2.9
88.68433	1.1
91.05483	49.4
91.44057	1.2
93.07046	34.7
95.04964	15.9
95.08605	22.3
97.06536	8.8
97.68796	1.2
100.02493	1.4
101.00867	13.5
101.02526	1.9
105.07034	55.4
106.07359	1.5
107.08595	20.5
109.06532	14.3
109.10165	5.0
111.08094	1.3
117.07005	1.6
119.01926	37.2
119.04941	40.5
119.08579	46.2
120.08065	1.4
121.10147	41.9
123.04416	3.4
123.08061	8.3
123.11700	9.1
124.02453	3.6
137.02992	7.1
137.05991	1.6
137.09608	4.6
137.13255	2.9
142.03506	35.5
142.96677	5.2
145.10193	1.5
147.04413	100.0
147.11688	73.6
148.04874	1.2
148.12013	1.1
160.04561	8.8
165.05508	5.9
165.09085	4.9
165.12758	85.5
166.08595	1.3
166.13173	1.5
173.83401	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0913
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
50.30651	0.3
51.97923	0.3
53.03947	0.5
54.61942	0.3
55.01878	0.4
55.05509	1.3
57.03438	0.3
65.03941	0.8
67.05509	5.9
69.03427	0.7
69.07074	0.6
70.06993	1.2
72.52467	0.3
79.05484	1.9
81.03418	0.6
81.07066	4.9
83.04996	0.6
85.02886	0.3
91.05486	7.6
92.72327	0.3
93.07060	2.9
95.04982	3.3
95.08614	20.6
101.00887	3.1
101.02571	0.3
103.05481	0.6
105.07034	5.4
107.04976	0.6
107.08611	2.8
107.12879	0.3
109.06545	2.1
109.10172	3.8
110.18612	0.3
110.25439	0.3
117.07053	0.3
119.01938	5.2
119.04224	0.3
119.04945	15.0
119.08581	3.9
120.08135	0.8
121.10165	1.1
123.04493	2.8
123.08075	100.0
123.11646	1.5
124.02451	0.5
124.08430	0.8
133.02824	0.4
133.05568	0.5
133.06497	2.6
135.08041	0.4
137.02969	1.1
137.05980	2.6
137.09612	1.6
137.13217	0.3
142.03511	5.6
147.04420	33.8
147.08058	1.7
147.11697	1.4
160.04559	0.9
165.01898	0.3
165.05510	1.8
165.09122	10.2
165.10524	0.5
165.12756	4.3
184.37494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18608	0.2
55.02133	0.2
59.86514	0.2
65.03941	0.8
68.17542	0.3
70.72739	0.4
70.73081	0.5
79.05515	0.3
81.07055	0.2
91.05486	18.5
95.04967	1.3
101.00903	0.8
105.07018	1.4
119.01981	1.1
119.04948	43.2
119.08599	0.9
120.05262	0.4
123.04415	1.6
137.46487	0.2
142.03481	1.2
147.04416	100.0
148.04749	1.5
160.04532	0.4
165.05513	2.1
165.09077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.73172	0.2
63.67136	0.2
65.03940	0.8
69.80460	0.8
79.05502	0.3
80.46228	0.2
81.07107	0.2
82.11694	0.2
91.05482	19.3
92.05791	0.3
93.07055	0.2
95.04993	0.9
98.21455	0.3
101.00890	0.3
103.05489	0.4
105.07043	1.8
119.01906	0.4
119.04942	42.4
119.08584	1.0
120.05249	0.4
120.08851	0.3
123.04435	1.4
133.06488	1.4
133.62825	0.2
137.05940	1.2
142.03487	0.5
147.04410	100.0
147.88022	0.2
148.04759	1.2
165.05464	1.3
165.09117	0.7
165.11108	0.4
179.06764	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
52.28246	0.3
53.03939	0.3
58.90069	0.3
65.03938	1.1
71.19332	0.4
76.59048	0.3
77.03940	0.3
86.54855	0.3
91.05488	17.2
95.04969	1.3
98.96845	0.3
101.00891	0.6
109.82440	0.2
119.01923	1.0
119.04951	40.4
119.08582	0.5
123.04459	1.7
137.05925	0.2
137.09604	0.3
142.03497	1.3
147.04420	100.0
148.04784	1.0
154.20711	0.2
158.86295	0.2
165.05518	2.4
165.09071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03651	0.3
65.03953	1.0
65.45608	0.3
71.19381	0.6
77.13637	0.3
89.14328	0.2
91.05487	17.9
95.04964	1.5
101.00880	0.7
109.10143	0.3
119.01923	0.8
119.04948	42.5
120.05229	0.4
123.04446	2.1
137.05966	0.4
137.09602	0.3
142.03525	1.1
147.04417	100.0
148.04787	1.2
165.04286	0.4
165.05505	1.7
165.09123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
56.10230	0.2
65.03940	1.1
67.05517	0.3
70.91987	0.6
74.00280	0.2
81.07074	0.2
82.99843	0.5
89.03918	0.3
91.05488	18.2
95.04992	1.6
101.00890	4.3
109.60847	0.2
119.01962	5.1
119.04951	40.0
120.05265	0.3
120.08130	0.3
121.97621	0.3
123.04438	2.1
123.08074	0.3
124.02463	0.9
137.02951	0.8
142.02441	0.4
142.03516	5.7
147.04420	100.0
147.30020	0.3
148.04744	1.1
160.04604	0.8
165.05553	2.0
165.09143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
58.56046	0.2
65.03943	1.0
67.05506	0.4
68.72661	0.2
70.66755	0.6
74.19393	0.2
79.05486	0.3
81.07075	0.4
91.05487	19.4
93.07096	0.3
93.85968	0.3
95.04969	0.9
95.08601	0.4
101.00903	0.8
105.07057	1.3
109.06554	0.3
119.01966	1.4
119.04950	43.3
119.08590	1.3
120.05247	0.5
121.06506	0.3
123.04469	1.7
133.06517	0.5
137.02954	0.3
137.05984	0.5
142.03526	1.6
147.04417	100.0
148.04712	1.4
157.79561	0.2
160.04517	0.2
165.05476	1.7
165.09172	0.8
165.12746	0.3
179.68571	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	1.6
57.54667	0.7
70.66997	1.1
70.67313	1.2
71.32672	0.7
75.77615	0.7
82.01422	1.5
82.06572	2.8
82.99840	8.3
84.96024	0.7
100.07620	3.6
101.00889	63.5
101.52331	0.8
102.00980	1.3
119.01929	100.0
120.02029	1.2
124.02452	14.8
137.02977	13.9
142.03508	97.6
143.03654	1.6
156.05154	1.0
159.53848	0.8
160.03230	1.2
160.04561	15.9
165.05170	1.5
184.02963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55309	0.7
54.60651	0.7
55.30408	0.5
65.10957	0.7
71.03201	1.1
82.01453	1.5
82.99849	11.8
90.81435	0.7
100.02470	1.7
100.37202	0.7
101.00890	76.6
111.00459	0.8
119.01930	95.3
120.02029	1.2
124.02460	15.0
137.02963	10.6
142.03508	100.0
143.03676	1.3
143.62032	0.6
150.93054	0.6
160.04572	15.2
165.05058	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03947	5.6
55.05518	7.9
57.07085	4.6
67.05505	6.7
68.36516	0.6
69.07074	15.4
69.22589	6.7
71.08635	1.6
77.03928	1.3
78.32695	0.7
79.05496	25.8
81.07061	48.6
83.08636	9.5
91.05488	11.8
92.02612	2.4
93.07048	39.6
95.04975	5.3
95.08609	26.8
96.08981	0.7
97.10178	0.7
98.71769	0.8
99.05543	0.7
103.04002	0.8
105.03385	2.6
105.04527	2.3
105.07047	6.3
106.00243	0.6
107.04945	2.3
107.08598	100.0
108.08927	1.5
109.10172	2.0
117.07002	1.0
119.06113	1.2
119.08598	1.7
121.10150	28.9
121.11047	1.4
130.06581	1.2
132.08081	2.7
133.02847	12.0
135.04427	13.6
135.11691	10.6
145.10120	1.3
150.40602	0.7
151.84381	0.7
161.13220	1.0
163.03915	55.1
163.07507	1.3
163.11218	2.8
163.14828	77.1
164.04289	0.7
164.15178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.86034	0.6
52.68172	0.7
53.03949	6.2
55.05521	5.7
57.07079	4.0
57.34755	0.6
65.03954	0.9
67.05504	4.8
69.07073	17.2
71.08616	1.7
77.03938	1.7
79.05500	24.9
81.03419	1.4
81.07063	43.3
83.08624	6.4
91.05483	9.2
92.02642	1.7
93.07047	36.8
95.04972	6.0
95.08611	22.8
103.05469	1.1
105.03402	3.9
105.04530	2.8
105.07047	6.3
106.06574	0.9
107.04961	2.4
107.08599	100.0
108.08896	0.9
109.06525	1.0
109.10168	1.2
117.03365	0.8
119.04940	0.6
119.06069	1.6
119.08602	1.0
121.06484	0.8
121.10149	34.5
130.06549	2.3
131.04958	1.0
132.08095	2.5
133.02866	15.0
135.04428	16.7
135.08092	0.8
135.11707	10.6
145.06473	1.0
145.10083	0.9
163.03912	72.4
163.07584	1.6
163.11223	4.0
163.14832	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	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.63016	0.7
53.03748	0.7
53.03951	8.2
55.05516	7.4
57.07067	1.7
61.02924	1.0
65.03931	1.0
67.05513	7.4
69.03421	1.9
69.06741	1.1
69.07078	12.3
70.81319	0.8
73.02950	0.9
75.83382	0.7
77.03922	1.7
79.05500	26.0
81.07067	32.8
83.08621	6.6
85.02914	1.8
89.06008	1.2
91.05492	8.2
92.02637	2.4
93.07052	32.3
95.04986	7.6
95.08617	22.0
97.10182	0.8
103.05463	1.9
105.03405	3.8
105.04513	2.9
105.07035	6.9
106.06593	0.8
107.04959	4.0
107.08601	73.3
108.08914	0.8
109.10146	1.6
109.51909	0.9
113.39056	0.8
117.07027	2.1
119.04916	1.1
119.06084	1.4
119.08568	2.1
121.06506	3.3
121.09329	1.0
121.10149	24.3
130.06544	2.1
130.07777	1.3
131.04962	1.1
132.08093	3.7
133.02863	20.4
135.04427	24.0
135.08054	1.4
135.11720	10.9
144.19991	0.9
145.06500	0.9
145.10138	4.0
163.03915	100.0
163.07558	3.4
163.11177	10.4
163.14828	60.3
164.04288	1.5
164.15184	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01858	2.0
55.05508	6.5
57.03430	1.5
57.07077	3.3
65.03942	1.5
67.05511	3.6
69.03424	3.1
69.07069	8.6
71.04965	0.7
71.53867	0.6
72.08157	1.9
73.02912	0.6
77.03917	1.3
77.28961	0.5
79.05486	16.6
80.93095	0.6
81.03423	1.3
81.07051	21.6
83.04967	0.9
83.08620	3.7
84.08146	1.4
85.02915	3.0
89.03920	2.4
89.06036	2.4
91.04910	0.9
91.05476	11.7
92.02641	0.7
93.07040	28.2
95.04980	5.5
95.08605	13.1
97.02882	0.9
98.94151	0.6
98.97536	0.8
100.02546	0.7
103.05461	75.8
104.74511	0.6
105.03393	1.2
105.04491	1.7
105.07023	13.1
106.06543	1.2
107.04957	9.4
107.08593	53.1
108.08926	0.6
109.06487	2.8
109.10168	0.8
115.05457	1.1
117.03371	2.0
117.05740	0.7
117.07005	7.8
119.04928	1.7
119.06043	1.0
119.08585	7.6
120.08091	0.7
121.02878	1.6
121.06484	6.0
121.10141	26.7
121.95728	0.7
127.07553	1.9
130.06523	2.5
130.07764	3.3
131.04924	100.0
132.05255	0.8
132.08109	3.0
132.12782	2.3
133.02843	6.4
133.06500	1.5
135.04420	11.7
135.08047	5.1
135.11693	10.7
143.08549	1.1
145.02785	1.6
145.03908	0.7
145.06485	3.1
145.10117	20.7
147.08008	1.5
148.08820	5.8
162.39551	0.5
163.03900	61.0
163.07539	24.1
163.11174	74.6
163.14815	30.6
164.11536	1.3
166.15860	0.7
172.35776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03949	7.7
54.03477	7.8
55.05515	9.1
57.07077	2.9
59.95084	1.0
67.01204	1.0
67.05510	6.2
69.07076	27.4
71.08615	1.0
71.53666	1.2
77.03919	1.5
79.05073	1.7
79.05498	26.4
81.04552	6.0
81.07063	32.5
82.05320	4.6
83.08633	6.7
84.08131	1.0
89.06042	1.3
91.05489	13.2
92.02641	1.8
93.07050	39.4
95.04963	8.5
95.08620	27.2
105.03369	3.2
105.04513	2.2
105.07056	8.1
106.06587	2.0
107.04948	2.2
107.08604	100.0
109.06509	2.6
109.10135	2.3
113.66232	1.2
117.05743	1.1
119.06017	1.4
119.08598	1.8
121.10151	34.2
122.07190	5.1
123.07942	3.3
130.06554	3.5
132.08116	4.5
133.02878	15.7
135.04431	17.5
135.11708	12.9
140.08157	1.2
145.10147	1.7
147.56769	1.3
163.03920	81.2
163.08638	2.3
163.09796	4.6
163.11296	4.5
163.12447	3.5
163.14833	62.0
165.38976	1.0
167.44028	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03943	1.9
55.01864	5.8
55.05500	3.4
67.05511	6.3
68.12389	1.1
69.05026	1.1
69.07066	1.5
69.69334	6.8
74.55502	1.2
79.05492	22.0
81.06592	2.5
81.07058	40.2
87.79793	1.2
91.05492	9.3
93.07047	46.7
95.04980	6.7
97.00574	1.3
98.21493	2.1
103.05490	5.9
105.07039	14.9
107.04969	2.1
107.08595	18.2
109.06522	15.7
110.11547	1.4
117.07021	9.4
119.08588	22.3
121.06506	5.6
121.10146	53.4
123.66976	1.5
127.07560	11.2
127.24668	1.2
130.07776	5.3
131.04898	4.2
133.06493	1.6
135.08073	6.4
135.11676	7.3
143.08545	2.2
145.10127	71.4
146.10506	1.3
148.08858	4.7
161.09586	1.9
163.03944	3.8
163.11183	100.0
164.11491	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.5
55.01872	1.9
55.05511	14.8
57.03449	1.1
57.07078	31.8
61.33180	0.7
65.03934	1.5
67.05502	5.3
69.03413	3.3
69.07056	2.7
70.14766	3.6
72.08131	1.0
74.81114	0.9
77.03913	1.2
79.05497	18.1
81.07061	22.7
83.04990	1.7
83.08621	3.3
85.02900	1.9
89.03921	1.8
89.05484	1.8
89.06035	27.2
91.05488	8.2
93.06484	1.4
93.07049	27.0
95.04963	4.8
95.08625	2.2
97.02890	0.9
101.09660	5.7
103.05471	42.1
105.04533	1.3
105.07043	13.2
107.04951	7.6
107.07069	4.3
107.08599	14.9
109.06531	9.8
115.05452	1.6
117.03396	1.9
117.07011	9.8
117.80913	0.7
119.04909	1.1
119.08588	12.3
121.06522	4.9
121.10149	29.0
127.07545	6.3
130.07790	3.9
131.04933	55.4
132.08070	1.2
132.12755	1.1
133.02837	2.2
133.06499	2.2
135.04417	5.4
135.08060	5.6
135.11681	5.0
143.01825	1.9
143.08565	1.9
145.06488	2.3
145.10129	40.3
146.10454	1.2
147.07956	1.1
148.08853	5.7
161.03033	0.9
163.03922	23.5
163.05260	1.3
163.07559	12.0
163.11185	100.0
163.14891	2.7
164.11542	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.4
51.02380	0.7
51.70501	0.4
53.03950	6.4
55.01867	1.1
55.05514	5.6
57.03437	0.5
57.07072	1.3
67.05507	0.6
69.03438	2.1
69.07069	1.5
69.86550	0.4
77.03940	1.7
79.05492	7.3
81.03424	1.0
81.07063	5.1
83.05018	0.5
85.02922	0.7
89.03916	1.1
89.06036	1.1
91.05489	6.0
92.02625	2.2
93.07048	6.6
95.04972	7.4
95.08617	1.9
98.97578	0.6
100.02518	0.9
103.05490	1.8
104.04269	0.5
105.03388	3.3
105.04509	3.4
105.07043	3.5
106.06600	0.9
107.04967	4.5
107.08597	10.9
109.06561	1.3
110.97711	0.4
117.03395	0.9
117.07006	2.3
119.04933	1.1
119.08601	1.5
120.08075	0.5
121.06509	100.0
121.10111	3.1
121.95761	0.5
122.06833	0.6
130.06543	2.0
130.07800	1.4
131.04930	1.5
132.08089	2.3
132.12785	0.4
133.02863	19.4
135.04422	21.2
135.08080	6.0
135.11671	2.6
145.02913	0.5
145.06523	0.7
145.10139	7.2
163.03911	92.6
163.07564	2.2
163.11165	17.9
163.12318	1.7
163.14841	2.8
164.04269	1.7
164.07135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03950	2.0
55.01865	1.4
55.05522	2.8
57.07095	2.2
65.03968	0.6
67.05516	2.2
69.03426	1.8
69.07078	3.5
70.69956	0.4
70.99290	1.2
71.04989	0.5
77.03924	0.4
79.05499	9.3
81.03417	0.8
81.07068	8.7
83.08620	0.5
84.08133	0.5
85.02891	0.6
89.03896	0.9
89.06039	1.8
91.05480	6.1
93.07053	12.4
95.04979	2.9
95.08617	3.5
101.06441	0.4
101.09660	0.7
103.05475	11.4
105.03407	0.4
105.04497	0.7
105.07044	6.5
107.04962	8.4
107.08603	12.4
109.06524	1.9
117.03384	1.1
117.07021	6.2
119.04953	0.6
119.08578	5.6
121.02869	1.5
121.06521	2.8
121.09335	0.8
121.10156	10.2
121.95776	0.5
127.07559	1.2
130.06706	0.5
130.07797	2.1
131.04945	15.0
133.02881	2.1
133.06500	2.0
135.04437	4.0
135.08084	3.4
135.11690	4.5
142.87604	0.5
145.02841	1.4
145.06517	1.1
145.10135	16.7
147.08044	2.0
148.08846	8.7
163.03925	37.4
163.07571	7.7
163.11191	100.0
163.14810	4.6
164.11583	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
55.05512	1.7
56.05035	3.3
56.96569	9.1
57.03439	2.0
60.04525	0.8
60.08168	1.1
61.02925	2.1
69.03423	1.0
70.06589	1.6
70.98124	1.4
71.04987	0.8
71.12724	0.8
72.02869	1.1
73.02897	0.9
74.06094	3.6
79.05495	0.7
82.01427	1.1
82.06590	4.8
83.00790	1.0
84.04510	13.0
84.04979	1.0
84.08172	0.8
85.02920	3.3
89.00775	0.9
89.03904	2.3
90.01571	0.9
91.03252	0.6
96.01548	0.7
96.33145	0.5
97.99209	1.3
98.06061	11.0
98.97604	4.9
99.04487	0.6
100.02492	1.2
100.07622	96.5
101.02539	0.6
101.07875	0.7
101.99766	0.6
102.02229	0.6
102.05552	2.9
102.09179	1.4
102.96878	1.6
103.03944	1.3
104.01296	1.6
106.01022	0.7
107.52353	0.6
109.00464	0.8
110.01273	0.9
110.97568	0.6
111.00210	0.7
113.01785	1.6
113.53165	0.6
115.02369	0.7
116.07095	7.6
116.98640	1.8
117.03369	2.4
118.01042	2.7
119.01842	2.2
119.97304	0.8
120.02010	2.2
120.06571	3.3
120.97951	0.6
121.52070	0.8
122.02300	0.7
122.53732	1.1
124.95403	0.6
125.02660	0.6
127.01557	2.3
127.02428	0.6
127.03920	0.6
128.02347	0.7
128.97823	1.2
130.05028	2.9
130.52574	1.2
131.00209	0.6
135.04396	4.0
137.98396	0.5
138.52367	0.6
139.53078	0.7
141.01251	1.6
142.96561	0.6
144.06569	9.9
145.02858	1.7
145.07297	1.8
149.01207	0.8
150.01807	1.3
162.07628	100.0
162.11267	3.9
163.03903	4.1
163.07793	0.6
181.45946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0763
Annotation	N-Methyl-L-glutamate
Peak:m/z	Relative Intensity
55.01877	0.9
55.05512	1.7
56.05035	3.3
56.96569	9.1
57.03439	2.0
60.04525	0.8
60.08168	1.1
61.02925	2.1
69.03423	1.0
70.06589	1.6
70.98124	1.4
71.04987	0.8
71.12724	0.8
72.02869	1.1
73.02897	0.9
74.06094	3.6
79.05495	0.7
82.01427	1.1
82.06590	4.8
83.00790	1.0
84.04510	13.0
84.04979	1.0
84.08172	0.8
85.02920	3.3
89.00775	0.9
89.03904	2.3
90.01571	0.9
91.03252	0.6
96.01548	0.7
96.33145	0.5
97.99209	1.3
98.06061	11.0
98.97604	4.9
99.04487	0.6
100.02492	1.2
100.07622	96.5
101.02539	0.6
101.07875	0.7
101.99766	0.6
102.02229	0.6
102.05552	2.9
102.09179	1.4
102.96878	1.6
103.03944	1.3
104.01296	1.6
106.01022	0.7
107.52353	0.6
109.00464	0.8
110.01273	0.9
110.97568	0.6
111.00210	0.7
113.01785	1.6
113.53165	0.6
115.02369	0.7
116.07095	7.6
116.98640	1.8
117.03369	2.4
118.01042	2.7
119.01842	2.2
119.97304	0.8
120.02010	2.2
120.06571	3.3
120.97951	0.6
121.52070	0.8
122.02300	0.7
122.53732	1.1
124.95403	0.6
125.02660	0.6
127.01557	2.3
127.02428	0.6
127.03920	0.6
128.02347	0.7
128.97823	1.2
130.05028	2.9
130.52574	1.2
131.00209	0.6
135.04396	4.0
137.98396	0.5
138.52367	0.6
139.53078	0.7
141.01251	1.6
142.96561	0.6
144.06569	9.9
145.02858	1.7
145.07297	1.8
149.01207	0.8
150.01807	1.3
162.07628	100.0
162.11267	3.9
163.03903	4.1
163.07793	0.6
181.45946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0763
Annotation	N-Methyl-L-glutamate
Peak:m/z	Relative Intensity
50.17340	0.6
55.05510	1.9
56.05027	2.5
56.96565	11.0
57.03436	2.0
57.14935	0.6
59.71683	0.7
60.04533	0.8
60.08154	0.9
61.02923	2.9
70.06593	1.9
70.74391	1.3
70.98128	1.8
71.04981	1.0
72.04510	0.9
74.00327	0.8
74.06084	3.3
81.01049	1.0
81.03439	1.5
82.01435	1.1
82.06582	5.4
83.00807	1.0
84.04508	12.0
84.95975	0.8
85.02903	2.3
89.00800	1.1
89.03896	3.7
90.01551	2.0
92.65161	0.7
96.01622	0.9
97.00452	0.7
97.99191	1.2
98.06062	12.5
98.97595	6.2
99.02084	1.7
100.02486	1.1
100.07623	95.5
101.00868	0.8
102.00972	0.9
102.05560	2.2
102.09199	1.3
102.96880	2.8
103.00594	1.0
103.03945	1.9
104.01315	2.0
107.52341	1.3
109.02971	0.8
110.01276	1.0
110.97585	0.6
111.00266	0.8
113.01806	2.2
115.53252	0.9
116.07092	6.0
116.98643	1.5
117.03417	2.5
118.01012	1.0
119.01817	2.5
120.02046	1.8
120.06549	3.5
120.54041	0.7
121.52026	0.7
121.52904	1.0
122.02296	1.3
124.95452	1.2
125.53359	1.2
127.01601	1.0
127.53082	0.9
128.02333	1.3
128.97847	1.4
130.04996	2.1
131.01981	0.6
134.99611	0.9
135.04440	4.2
137.98416	0.9
144.03239	0.9
144.06580	9.5
145.02852	2.3
145.05002	0.7
145.07350	2.1
150.01823	0.7
162.07628	100.0
162.11227	5.1
163.03899	5.8
163.07915	0.9
170.96072	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.52625	0.7
53.03945	1.9
55.01888	1.3
55.05513	6.0
67.05508	3.8
69.03442	0.9
69.07071	6.6
69.78568	2.8
70.36066	0.8
74.06065	0.6
79.05497	13.3
81.07063	97.2
83.08634	1.0
85.02915	0.9
88.02213	0.7
91.05484	16.2
91.06026	1.1
93.07050	19.2
95.04988	1.3
95.08606	6.1
97.66682	0.7
101.06039	0.6
103.05495	3.5
104.06274	1.1
105.03416	4.2
105.07040	100.0
107.08585	3.4
113.02383	1.4
115.05470	4.3
117.07017	4.5
118.04163	2.4
119.08591	55.6
119.95796	0.7
120.06583	0.7
121.06516	0.8
125.15524	0.6
128.06216	3.4
131.04959	1.3
131.08575	3.8
132.09381	1.5
133.06516	7.9
133.10139	29.4
137.96826	0.8
143.06126	0.7
143.08574	3.9
146.03651	1.5
146.07314	2.5
146.10881	1.0
158.06526	0.8
159.11751	2.7
161.05991	8.8
161.09634	21.2
161.13269	96.9
162.11253	1.5
162.13612	1.5
167.04561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89809	0.2
56.65825	0.3
56.96566	1.8
59.79103	0.2
69.97948	0.9
71.31484	0.2
82.01457	0.2
82.99844	4.4
85.01425	0.4
87.43575	0.2
93.07044	0.3
96.50535	0.3
97.95999	0.3
98.97592	9.1
100.02491	0.3
100.97196	1.6
100.98005	1.1
101.00890	44.1
101.95040	3.6
101.97222	0.8
102.00957	1.8
102.16382	0.2
102.96864	2.2
103.00640	0.3
103.02482	0.3
106.96551	1.6
107.05277	1.5
107.96402	0.4
111.00436	0.5
111.04464	0.7
115.97066	2.6
116.05781	1.7
116.06525	0.3
116.55870	0.4
116.96921	0.9
116.98637	3.3
119.01929	100.0
119.47161	0.4
119.48999	0.3
119.96113	0.5
119.98263	0.3
120.02011	3.2
120.97920	0.7
121.01682	0.4
124.02471	0.6
124.97575	3.1
125.02587	0.3
125.97439	0.7
127.47845	2.7
127.56599	0.3
128.47746	0.7
128.49469	0.3
129.04764	0.6
130.99686	0.3
133.98123	2.2
134.96147	0.6
134.97948	0.5
134.99669	1.1
136.48375	7.7
137.02968	16.5
137.48233	2.7
137.49980	0.5
138.03101	0.7
140.00256	0.8
140.50417	0.3
142.03477	1.9
143.01923	0.4
143.03622	3.3
143.96634	0.9
144.03253	0.5
145.48898	9.3
145.98981	0.3
146.48756	2.5
147.99181	1.2
148.99040	0.3
149.00806	0.7
154.49419	0.5
158.01306	0.4
160.04608	0.3
161.02972	7.0
161.04636	0.9
179.04027	6.3
179.05598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
55.05505	5.2
60.08153	2.6
64.10432	1.8
67.05499	4.7
68.13048	1.9
69.07063	5.7
79.05499	6.8
81.07055	26.2
91.05480	22.6
93.07052	17.2
95.08613	3.4
98.20714	3.8
103.03943	4.4
105.07043	100.0
107.08606	3.0
117.07008	3.5
119.08596	69.2
120.05641	2.0
121.06491	2.2
123.34704	1.8
131.08539	3.5
133.10127	27.0
140.24945	2.2
153.05585	1.8
159.11732	2.4
161.09573	10.8
161.13277	73.2
162.11298	11.1
162.13637	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03948	0.6
55.01879	0.5
55.05270	0.4
55.05520	6.0
58.90730	0.3
59.02081	0.2
62.06104	0.3
67.05515	0.5
68.14214	0.3
68.58198	0.3
69.03436	0.3
69.07072	1.8
71.12197	0.5
74.06074	0.4
78.93137	0.5
79.05503	2.7
81.07069	1.6
85.02917	0.4
91.05492	7.7
91.16946	0.3
93.07050	1.6
95.04951	0.4
95.08685	0.3
101.11576	0.4
103.05485	2.0
104.06258	0.5
105.03414	0.8
105.07043	21.1
107.08607	1.0
113.02385	0.6
115.05457	2.8
117.07030	2.8
118.04189	1.5
119.08593	100.0
119.95815	0.5
120.08909	0.9
121.06500	0.3
121.10159	1.9
128.06235	0.6
131.04980	0.9
131.08577	1.7
133.06517	4.8
133.10144	14.6
143.06064	0.3
143.08569	0.7
146.03648	0.9
146.07309	0.6
146.10899	0.6
152.12405	0.2
159.11705	0.4
161.06000	10.6
161.07149	0.8
161.09648	5.3
161.13275	19.2
162.05447	0.4
162.11264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05516	0.6
62.82381	0.3
65.03910	0.4
66.86578	0.3
67.05516	4.2
70.06579	0.5
71.05000	0.5
71.52199	0.5
71.52579	0.4
76.92989	0.4
76.93378	3.2
79.05497	2.3
81.07060	1.9
91.05488	8.4
93.07043	1.1
94.94418	0.8
95.05001	0.4
98.09698	0.8
99.10027	1.4
103.05488	0.7
105.07041	17.0
113.02408	2.0
113.07968	0.5
114.09171	0.5
115.05471	2.4
116.06261	1.6
117.07027	23.1
117.95991	5.4
119.08598	7.7
128.06239	1.4
129.07014	12.8
130.07813	6.3
131.08580	35.0
132.08887	0.4
135.97044	1.2
141.01845	6.6
141.06995	0.7
141.14680	0.8
142.07802	1.5
143.08554	1.1
144.09358	21.3
145.09755	0.3
146.60858	0.3
157.10152	2.6
158.98590	0.5
159.08180	3.1
159.11705	100.0
159.15771	7.5
160.12033	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1171
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
56.96556	0.9
62.56955	0.6
65.03923	0.7
67.05505	2.6
69.51289	0.5
69.84124	0.6
69.84403	2.8
72.51352	0.6
76.93370	3.0
79.05498	1.6
81.07059	1.7
83.69088	0.5
83.85790	0.5
91.05488	12.7
94.94414	0.7
105.07047	16.9
108.14995	0.5
113.02386	1.6
115.05458	2.9
116.06262	1.6
117.07034	28.4
117.96007	3.7
119.08604	7.2
128.06287	0.7
129.07021	12.4
129.42691	0.6
130.07814	13.8
131.08588	68.5
135.97037	0.8
141.01868	4.5
142.07777	1.4
143.08641	1.8
144.08215	0.7
144.09360	17.6
157.10149	4.0
159.11713	100.0
159.15721	2.7
160.12015	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
52.16632	0.3
53.03955	0.3
65.03938	0.3
67.05502	2.3
69.39096	2.1
70.06592	0.5
71.04994	0.4
71.06904	0.4
76.93359	1.0
79.05492	1.0
81.07048	0.8
91.05486	9.5
93.07079	0.5
96.08087	0.2
98.09702	0.8
99.10040	1.2
103.05451	0.5
105.07040	15.2
113.02393	2.0
114.09145	0.4
115.05451	2.9
116.06284	2.3
117.07027	17.7
117.95972	1.0
119.08593	7.6
128.06215	1.4
129.07014	12.9
130.07813	4.7
131.08577	33.1
132.08888	0.7
135.97003	0.3
140.62201	0.3
141.01840	7.1
141.06973	1.8
141.14673	0.6
142.07788	1.5
143.08574	1.5
144.05711	2.9
144.09361	22.3
145.09740	0.5
157.10143	2.7
159.08102	12.0
159.11703	100.0
159.15768	7.1
160.12067	1.3
169.07588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.02390	0.3
53.03941	0.6
56.96552	1.0
59.51941	0.4
67.05511	2.2
68.05815	0.4
71.53605	0.5
76.92929	0.5
76.93369	2.7
79.05486	0.9
81.07039	1.0
91.05485	6.4
93.07021	0.6
94.94417	0.5
98.09711	0.7
99.10020	1.3
103.05443	0.7
105.07035	14.2
105.17002	0.4
113.02361	2.2
115.05467	2.4
116.06235	1.5
117.07021	16.6
117.95970	2.9
119.08583	7.0
128.06221	1.4
129.07014	11.8
130.07788	5.1
131.08574	31.2
135.96994	1.3
141.01833	9.6
141.07021	0.6
141.14694	0.6
142.07756	1.5
143.08549	1.1
144.05690	1.1
144.09354	20.5
147.07497	1.0
157.10109	4.2
159.08107	6.3
159.11696	100.0
159.15755	9.4
160.09717	0.5
160.12030	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98641	0.3
55.88660	0.2
56.96570	6.7
69.72896	0.8
69.73305	0.4
71.95271	1.8
98.97592	100.0
99.97930	0.3
114.95460	0.3
116.98630	38.5
123.95940	0.2
131.26260	0.2
132.96443	0.6
134.99672	8.3
140.00201	1.8
141.96986	0.4
149.87474	0.2
153.00720	0.2
158.01265	0.8
158.15396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0918
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
53.03950	0.6
55.01877	1.4
55.05513	0.9
56.96566	10.1
57.03449	1.6
61.02934	0.7
67.05527	1.0
69.03436	1.0
69.07074	0.7
70.06597	1.2
71.01359	2.4
71.05000	4.3
71.06937	0.7
71.33034	1.2
71.95277	2.4
75.04504	1.6
76.93372	5.4
79.05508	0.8
81.03429	3.8
81.07066	1.2
82.58255	0.5
82.66737	0.6
83.04964	0.6
85.02921	3.7
85.06570	0.8
87.04479	0.7
89.00782	1.5
91.05489	1.3
94.94415	1.6
95.04959	1.1
95.08600	1.1
96.04546	0.6
98.01307	1.0
98.09711	0.9
98.97588	43.6
99.04458	3.9
99.10038	1.9
99.97918	2.8
103.03958	1.0
103.05460	0.7
105.07033	1.4
109.02869	0.9
111.04440	0.6
113.02370	5.3
113.06024	1.9
113.07956	1.3
114.09180	0.7
115.05459	18.3
116.05008	1.0
116.98630	27.8
117.05766	9.9
117.07014	1.2
117.95993	7.3
117.98985	2.4
118.06571	2.7
118.96760	1.4
121.04253	0.6
123.08070	0.7
126.00756	1.1
127.03922	0.7
130.06529	21.8
131.04951	0.9
131.06888	2.4
131.08557	2.5
132.08098	85.3
133.08418	1.4
134.99667	11.0
135.97041	2.6
135.99995	1.1
140.04985	0.8
141.01831	23.1
141.05531	1.2
141.09085	0.7
141.14713	1.2
142.06531	34.6
143.07288	0.8
144.09366	0.7
153.00714	1.1
158.08412	1.3
158.99748	0.7
159.02919	1.5
159.09181	100.0
159.11751	3.0
159.15771	11.5
160.07593	14.0
160.08972	0.8
160.09622	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	trans-p-Menth-8-en-7-ol
Peak:m/z	Relative Intensity
55.05515	27.3
57.03442	1.4
57.07072	10.1
59.04990	5.3
65.30592	1.2
67.05516	10.5
69.07069	16.3
70.06596	2.0
71.04993	7.0
71.32334	1.4
71.32664	2.7
71.83976	1.5
72.93790	100.0
73.06540	1.5
73.78836	1.2
79.05488	1.9
81.03413	2.6
81.07059	33.1
81.35029	1.3
83.04997	2.4
83.08627	19.7
85.06551	15.9
90.94830	20.0
95.04973	2.2
95.08611	46.4
97.10181	11.0
98.09695	64.1
99.04487	1.7
99.08099	3.5
106.38528	1.6
106.50806	1.4
108.95867	1.7
109.02906	6.5
109.06512	2.1
109.10158	6.3
111.04430	2.3
113.05982	3.6
113.96406	80.7
120.08466	1.3
127.03930	4.9
127.07529	1.9
131.97452	32.3
132.95827	3.5
137.05960	2.0
137.13254	33.9
143.27275	1.5
150.96942	3.9
153.07021	1.7
154.98981	3.3
155.03352	4.6
155.07033	6.3
155.08492	6.8
155.14290	9.9
155.33054	1.3
156.13849	15.0
174.43593	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0422
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
56.96565	2.2
58.06609	1.0
70.52018	2.5
74.09723	14.5
93.23625	1.1
96.96932	3.2
98.09708	9.6
98.97588	1.7
99.31081	0.8
104.33237	1.1
110.07191	3.1
112.05270	9.0
130.06313	14.1
133.03474	1.3
156.04231	100.0
156.13834	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	156.102
Annotation	Arecoline
Peak:m/z	Relative Intensity
53.03950	0.6
55.01865	0.4
55.05513	5.9
55.93526	0.8
58.78068	0.5
60.04517	0.9
67.05505	1.1
68.05026	0.5
69.03425	0.5
69.07071	0.5
69.39963	1.1
69.40389	2.1
70.06596	3.8
70.95867	11.2
71.04993	3.8
72.93793	10.6
73.93816	0.9
74.93822	0.8
79.05495	4.6
82.02936	0.6
82.06618	0.9
84.08121	0.5
85.06550	27.3
86.06079	4.1
87.67173	0.4
88.96900	1.5
90.94838	1.3
92.24750	0.4
95.04963	0.4
96.08141	3.4
97.06523	1.3
98.09697	100.0
98.20808	0.8
98.95373	0.5
99.10020	0.9
101.06016	0.5
106.06556	11.8
110.06055	1.0
110.07175	1.1
111.08112	0.4
111.98479	7.2
113.96391	1.2
114.94788	0.8
114.96638	0.9
124.07597	46.4
125.07967	0.4
126.09155	0.9
129.99532	2.7
131.97458	0.5
132.95840	23.0
138.09203	0.7
150.96895	17.6
153.67336	0.4
155.97435	2.6
156.06560	1.0
156.08365	0.5
156.10210	15.5
156.13841	26.3
157.07607	2.2
158.15932	0.4
173.98450	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	Yomogi alcohol A
Peak:m/z	Relative Intensity
53.03936	0.9
55.05268	0.6
55.05515	8.6
57.07077	5.9
59.05003	4.6
65.03948	1.0
67.05507	9.9
69.07070	15.2
70.06590	0.5
70.95868	1.3
71.04988	2.2
71.08633	1.2
71.33584	1.0
72.93790	39.1
73.02897	0.5
73.06551	1.1
79.05496	5.6
81.03437	0.7
81.07057	100.0
82.07371	1.1
83.04989	1.3
83.08618	4.9
83.99847	0.5
85.06541	3.3
90.94830	7.4
93.07050	1.7
95.04991	1.2
95.08607	40.8
96.08976	0.7
97.06558	0.5
97.10153	2.4
98.09697	19.9
99.04455	0.7
99.08090	2.9
104.51220	0.5
107.08585	0.8
107.12294	0.4
107.59973	0.4
108.95943	0.6
109.02893	1.8
109.06542	1.5
109.10152	3.3
111.04453	1.2
111.08101	0.6
111.11714	3.2
111.13938	0.4
113.06033	1.5
113.96408	30.8
119.34954	0.4
123.21161	0.4
127.03935	1.8
127.07560	0.6
131.96378	0.6
131.97440	11.5
132.95859	1.9
137.13263	13.4
149.97253	0.6
150.96858	1.7
154.99045	1.1
155.03400	2.1
155.07050	4.6
155.08270	0.7
155.10663	0.8
155.14319	4.7
156.13829	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	155.1432
Annotation	Yomogi alcohol A
Peak:m/z	Relative Intensity
53.00227	0.6
53.03941	0.8
55.01888	0.6
55.05515	8.1
57.07083	20.6
59.05001	7.9
63.58065	0.7
67.05513	9.0
69.07076	19.3
69.85351	2.6
69.85765	1.5
70.06614	0.6
70.95852	1.5
71.05002	2.1
71.08637	1.0
72.93796	39.2
73.06567	1.1
79.05511	4.1
79.35291	0.8
81.03410	1.3
81.07064	100.0
82.07396	1.3
83.04999	1.3
83.08624	3.0
85.06544	3.5
90.94827	7.6
91.15781	0.6
92.78174	0.7
93.07053	1.2
95.04979	0.9
95.08617	37.6
97.06459	0.7
97.10188	2.0
98.09705	27.2
98.98439	0.8
99.08095	2.7
108.95876	0.7
109.02856	1.0
109.06570	1.0
109.10169	3.9
111.04454	1.0
111.11749	4.2
111.98481	0.9
113.06024	1.1
113.95612	1.5
113.96412	31.4
127.03938	1.4
127.07545	0.8
128.82814	0.7
131.96246	1.6
131.97447	12.6
132.95853	1.8
137.13264	13.5
149.97212	1.4
150.96938	2.0
154.99011	0.8
155.03404	2.0
155.07091	3.4
155.10686	0.8
155.14320	10.7
156.13853	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	155.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00227	0.6
53.03941	0.8
55.01888	0.6
55.05515	8.1
57.07083	20.6
59.05001	7.9
63.58065	0.7
67.05513	9.0
69.07076	19.3
69.85351	2.6
69.85765	1.5
70.06614	0.6
70.95852	1.5
71.05002	2.1
71.08637	1.0
72.93796	39.2
73.06567	1.1
79.05511	4.1
79.35291	0.8
81.03410	1.3
81.07064	100.0
82.07396	1.3
83.04999	1.3
83.08624	3.0
85.06544	3.5
90.94827	7.6
91.15781	0.6
92.78174	0.7
93.07053	1.2
95.04979	0.9
95.08617	37.6
97.06459	0.7
97.10188	2.0
98.09705	27.2
98.98439	0.8
99.08095	2.7
108.95876	0.7
109.02856	1.0
109.06570	1.0
109.10169	3.9
111.04454	1.0
111.11749	4.2
111.98481	0.9
113.06024	1.1
113.95612	1.5
113.96412	31.4
127.03938	1.4
127.07545	0.8
128.82814	0.7
131.96246	1.6
131.97447	12.6
132.95853	1.8
137.13264	13.5
149.97212	1.4
150.96938	2.0
154.99011	0.8
155.03404	2.0
155.07091	3.4
155.10686	0.8
155.14320	10.7
156.13853	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	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95028	0.2
55.05267	0.3
55.05513	3.7
56.05032	0.4
56.05829	0.2
57.07082	0.2
58.06596	0.3
58.31693	0.2
64.48695	0.2
67.05492	0.8
68.05032	0.2
68.96332	0.3
69.03430	0.5
69.07056	0.5
70.06569	0.6
70.85205	0.5
71.04976	0.4
71.94086	0.8
72.93790	2.8
74.48495	0.2
75.79646	0.2
79.05492	1.6
80.05810	0.3
80.56271	0.2
81.07063	6.7
81.62234	0.2
82.06581	1.1
82.07376	0.8
83.04976	0.2
83.08612	1.0
84.04483	0.2
84.08135	0.6
85.06524	0.2
90.94823	0.4
91.05457	0.6
93.05798	0.3
94.07365	0.4
95.04990	0.4
95.08642	0.4
96.04497	0.5
96.08135	0.3
97.05283	2.1
98.06063	2.2
98.09704	1.9
108.08121	1.9
108.08927	0.6
109.02927	0.3
109.06526	3.5
109.10153	0.6
109.98941	0.3
110.06055	2.8
110.06805	0.3
111.06832	3.1
112.96688	0.4
113.96411	1.9
124.07573	0.4
125.08373	0.8
126.09167	3.0
130.96309	0.5
131.97459	0.8
136.07588	0.9
136.12025	0.4
138.05522	0.4
139.06299	3.4
144.00314	0.2
145.68858	0.2
148.97353	0.6
152.07047	0.4
154.08636	100.0
155.08981	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88515	1.2
53.03949	3.7
53.47699	1.2
55.05515	100.0
57.07081	15.1
67.05486	1.9
69.07074	53.8
71.08631	6.9
71.54465	1.7
72.43520	1.1
79.05495	1.7
81.07041	3.6
82.77407	1.0
83.08626	49.1
83.09128	2.3
93.07023	1.8
95.08596	3.8
96.11574	1.1
97.07700	1.3
97.10178	53.2
109.07645	2.3
111.08112	2.6
111.11736	5.2
124.08692	3.0
124.73388	1.5
126.10308	1.7
135.12512	1.5
152.90823	1.2
153.10236	2.4
153.11357	3.2
153.13922	2.2
154.15849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.94247	1.4
53.00296	2.1
53.03945	3.4
54.77366	1.2
55.05513	16.2
57.07063	2.5
59.05005	7.5
66.46470	1.4
67.05514	6.7
69.03413	1.3
69.07070	10.8
69.65941	6.4
70.94255	3.2
70.95865	1.9
71.04996	42.4
73.06561	20.0
79.05498	23.5
81.07061	100.0
83.04985	4.0
83.08628	2.9
91.05478	7.5
93.07044	43.2
95.04984	4.3
95.08607	8.7
97.06524	9.6
105.07062	3.0
107.08598	41.7
109.06507	3.7
109.10163	10.7
111.08057	3.9
111.96920	2.7
111.98516	1.7
119.08592	1.8
125.06002	1.8
135.11691	35.1
153.01892	2.0
153.05475	1.6
153.12752	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02391	1.7
53.03940	3.0
55.05310	1.6
55.05515	18.2
57.03436	2.5
57.07066	6.1
57.87200	2.0
59.05008	11.6
61.70702	1.8
62.16399	1.7
63.02401	1.9
65.03948	2.9
67.05515	13.0
69.07070	23.0
70.94243	2.9
71.05003	44.6
71.08613	1.9
73.06561	21.1
79.05503	29.4
81.07063	100.0
82.07427	1.9
83.04957	5.2
85.06530	2.8
91.05496	10.6
93.03388	3.5
93.06487	3.5
93.07054	58.2
95.05034	3.7
95.08617	24.8
96.80300	2.0
97.06538	20.6
105.04472	2.1
107.04948	2.8
107.08604	60.9
109.06488	2.6
109.10159	22.6
111.04407	2.3
111.08064	7.3
111.96874	3.1
119.08617	2.2
125.05968	2.4
129.97868	2.0
131.36858	1.9
131.37962	1.8
135.08020	2.3
135.11700	45.6
153.01823	3.6
153.05423	2.3
153.09193	3.2
153.12762	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	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03944	1.2
53.50600	0.5
55.05516	3.6
57.07073	1.0
59.04993	2.0
63.78980	0.6
65.03928	1.1
67.01569	0.6
67.01876	5.4
67.05501	2.2
68.99802	3.6
69.03439	5.6
69.07084	4.4
70.15680	2.0
70.40092	0.6
70.94252	1.9
70.95837	0.7
71.05006	14.9
72.56200	0.5
73.06561	8.6
79.05077	0.7
79.05505	7.8
81.03458	0.9
81.07066	32.6
83.01356	1.4
83.04971	1.0
85.02910	0.8
91.05479	2.2
93.03397	0.7
93.07056	14.4
95.04984	1.1
95.08604	3.0
97.02896	2.0
97.06529	2.2
102.66414	0.5
107.04965	0.8
107.08609	12.3
109.10164	2.5
109.64219	0.5
111.00819	0.6
111.08128	1.4
111.96882	1.4
135.04433	1.2
135.11707	10.7
135.91289	0.6
137.41753	0.6
146.74239	0.6
153.01846	100.0
153.05434	2.0
153.09053	0.8
153.12790	5.9
154.02216	0.6
171.37610	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00318	1.9
53.03966	1.2
55.05308	1.1
55.05515	12.2
57.03090	1.1
59.05008	8.2
67.01628	1.0
67.05503	5.5
69.07085	8.4
70.85375	2.0
70.85699	1.5
71.04997	41.9
73.06182	1.7
73.06561	22.7
79.05064	2.2
79.05493	23.6
81.07059	100.0
82.07385	1.1
83.04982	1.2
85.06525	1.2
91.05478	7.8
93.07045	39.9
95.08601	7.3
97.06567	5.5
105.07021	1.5
107.08601	41.0
109.10141	5.3
110.58015	1.0
111.08089	3.7
116.18729	1.2
116.21271	1.1
119.08559	2.0
135.11693	30.9
153.12756	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03946	2.3
55.05521	19.2
57.07077	1.5
59.04999	8.8
59.74049	1.4
65.03938	3.6
67.05508	6.6
69.03435	2.9
69.06734	1.7
69.07074	18.1
69.75536	3.5
69.75926	3.8
70.94270	10.5
70.95866	5.5
71.04998	41.3
71.32209	1.2
73.06182	1.8
73.06563	25.6
77.88145	1.2
79.05497	32.8
81.07063	100.0
83.04973	5.3
83.08614	4.4
91.05473	8.6
93.03413	3.3
93.07052	42.2
95.04975	9.8
95.08606	11.3
97.06546	12.4
105.07037	2.8
107.04961	8.4
107.07883	2.3
107.08607	41.2
109.06512	2.7
109.10173	11.0
111.04440	5.2
111.08073	4.9
111.96876	9.7
111.98509	1.5
125.05949	3.6
129.97910	3.6
130.96306	1.9
135.04399	5.0
135.11705	35.9
153.01869	8.3
153.05475	5.3
153.09131	2.7
153.12767	21.9
164.00291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00310	1.3
53.03946	2.7
55.05517	13.3
57.03429	2.1
57.07062	1.6
59.05002	5.6
60.38719	1.0
62.70612	1.2
65.37461	1.0
67.05511	7.1
69.06783	1.1
69.07072	11.6
69.74316	4.9
70.94279	1.3
71.04999	44.1
71.85341	1.0
73.06559	19.5
78.10242	1.2
79.05497	25.6
81.07059	100.0
83.04990	1.3
83.08614	2.3
85.06575	1.6
91.05482	8.7
93.07049	41.2
95.04964	4.5
95.08618	7.7
97.06525	7.6
98.20757	1.9
105.04511	1.4
105.07021	1.6
107.04971	1.6
107.08599	39.0
107.52608	1.1
109.06541	1.1
109.10168	7.2
111.04453	3.8
111.08071	2.8
111.96935	1.3
125.05964	1.2
135.11693	34.8
135.12726	1.8
140.47119	1.3
144.47539	1.1
153.01849	1.3
153.05490	2.2
153.12744	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	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00295	1.6
53.03937	2.0
54.11048	1.4
55.01865	2.7
55.05519	14.9
57.03433	3.9
57.07073	5.9
57.28070	1.6
59.05009	13.5
60.50411	1.4
65.03938	5.9
67.05196	1.6
67.05506	12.5
69.03442	6.7
69.07079	17.8
70.49242	5.0
70.94262	7.4
70.95882	3.2
71.05005	38.4
71.94122	8.0
73.06567	22.7
79.05072	2.4
79.05501	27.2
81.07068	100.0
83.04985	3.2
83.08646	3.9
85.06518	3.4
91.05495	11.8
93.03416	5.0
93.07059	63.5
95.04971	22.9
95.08618	35.6
97.06554	26.0
105.07053	3.6
107.04982	2.1
107.07879	3.5
107.08611	69.3
109.06537	12.4
109.10178	23.5
111.04472	3.1
111.08076	11.5
111.96881	4.9
112.96745	2.7
119.08578	2.7
121.02895	5.8
123.25294	1.5
125.06002	3.3
125.09636	3.5
125.74439	1.7
135.08084	2.3
135.10698	3.1
135.11710	51.2
147.07082	1.5
151.42807	1.7
153.01854	29.4
153.05504	3.9
153.09134	4.2
153.12767	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00303	1.6
53.03944	3.7
54.43614	1.2
55.05515	15.3
57.07073	1.7
57.94450	1.2
58.59314	1.2
59.05011	9.6
61.26674	1.2
62.47605	1.2
67.05506	7.2
67.05804	1.4
68.90413	1.5
69.07080	15.1
70.97433	3.2
71.04999	46.7
72.28274	1.4
73.06179	1.7
73.06564	23.3
79.05499	24.8
81.07063	100.0
83.04974	2.5
83.08617	1.7
85.23068	1.2
91.05477	4.4
93.07051	46.2
95.04955	3.2
95.08619	8.5
97.06533	9.6
105.07052	2.9
107.08610	41.5
109.10135	9.7
111.08083	4.6
116.43060	1.4
135.04408	1.5
135.11700	39.6
153.05446	2.4
153.12743	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	153.0547
Annotation	dl-Mandelic acid
Peak:m/z	Relative Intensity
51.02398	0.2
53.03949	1.1
54.99333	0.2
55.05496	0.3
61.45418	0.2
63.12789	0.2
65.03941	0.8
67.05502	0.3
69.03426	0.3
69.07098	0.2
69.80933	1.1
70.94255	0.5
70.95864	0.4
77.03950	0.3
79.01870	0.3
79.05495	1.7
81.07038	0.3
83.04998	0.5
83.63277	0.2
91.05476	0.4
93.03413	0.8
93.07040	0.7
95.04974	5.0
95.08537	0.2
97.06542	0.5
98.20785	0.3
107.04963	100.0
107.08611	0.8
108.05311	0.8
109.06557	0.5
109.10184	0.2
111.04438	1.4
111.96868	0.4
113.74254	0.2
125.06017	0.9
125.09705	0.3
135.04425	41.6
135.11688	0.2
136.04741	0.4
148.97327	0.2
153.01875	1.1
153.05479	3.7
153.06625	0.4
153.09120	0.3
153.12744	0.6
172.95894	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	151.1483
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03953	0.9
55.05516	5.9
57.07079	1.3
65.03955	1.3
67.05510	84.4
68.05841	0.7
69.07073	4.0
71.08647	0.5
79.05501	5.1
81.07063	43.6
83.08620	1.6
89.06028	0.5
91.05464	1.8
91.47120	0.3
93.07053	4.0
95.04968	0.7
95.08614	100.0
96.08949	1.3
103.05565	0.3
105.07027	2.5
107.08601	2.3
109.06527	1.5
109.10164	55.5
110.10550	0.5
114.90496	0.3
123.04475	0.9
123.08049	1.5
123.11726	1.0
133.06517	0.6
133.10158	0.9
135.52336	0.3
151.02837	0.5
151.03951	0.7
151.07578	2.4
151.11211	2.2
151.14830	12.6
151.16058	0.6
157.50461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	CARVONE
Peak:m/z	Relative Intensity
52.11451	0.8
53.03947	8.2
55.01870	2.5
55.05514	100.0
56.05841	1.0
56.15107	0.7
57.03427	1.5
57.07073	2.4
59.04994	3.2
65.03954	4.3
67.01854	1.2
67.05510	25.3
68.99790	1.3
69.03438	4.2
69.07073	3.7
69.73341	1.4
69.73753	3.5
71.04993	0.9
79.05495	10.9
81.03408	3.1
81.07059	46.3
83.04961	1.3
88.22269	0.9
91.05478	14.7
93.07044	15.1
95.04969	19.3
95.08611	9.1
97.06542	18.2
105.04498	1.1
105.07031	18.6
107.08602	21.8
108.02129	4.0
109.06525	14.4
109.10163	28.7
110.07330	0.9
113.45113	0.8
119.04961	3.0
121.10117	1.6
123.04436	10.6
123.08081	6.5
123.11713	16.7
133.06520	1.4
133.10123	12.1
141.05429	2.0
151.03909	33.6
151.05055	10.4
151.07530	3.9
151.11189	35.5
169.04688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.112
Annotation	CARVONE
Peak:m/z	Relative Intensity
53.03955	8.3
55.01871	4.9
55.05520	100.0
57.03428	3.8
57.07077	4.4
59.04996	5.1
61.00078	1.3
65.03947	9.5
67.01869	2.9
67.05515	36.4
68.83864	1.2
68.99780	3.1
69.03433	4.2
69.07063	3.6
69.39552	10.6
71.04984	3.4
77.03903	1.1
79.05508	19.2
79.68293	1.2
81.03427	2.7
81.06590	3.0
81.07070	61.0
83.04967	3.6
89.06023	1.3
91.05497	29.9
93.07063	26.6
95.04984	25.3
95.08624	15.1
97.06552	18.2
98.20724	1.4
105.04510	1.9
105.07050	38.4
106.07418	1.3
107.04958	2.3
107.08614	39.2
108.02100	6.3
109.06534	22.1
109.09466	2.6
109.10172	32.5
110.07303	1.9
119.04957	4.1
121.10130	2.6
122.02412	3.0
123.04443	33.5
123.08089	9.9
123.11732	21.0
131.08603	1.4
133.02873	1.5
133.06512	2.6
133.10152	25.1
141.05524	3.6
151.03925	61.1
151.05066	14.8
151.07555	15.8
151.08653	2.3
151.09973	2.6
151.11203	50.8
152.07025	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	875-59-2
Peak:m/z	Relative Intensity
53.03945	1.0
55.01860	0.3
55.05497	1.1
65.03928	1.0
66.04713	1.0
67.05505	1.6
68.99788	0.5
70.97256	0.3
70.97585	0.3
77.03911	0.4
78.04699	0.7
79.05493	3.3
80.06274	2.6
81.03411	0.4
81.07053	2.0
89.03962	0.3
90.04706	1.8
91.05486	7.8
93.03411	0.7
93.07041	1.8
94.99175	0.2
95.04949	1.6
95.08592	1.1
101.34930	0.2
103.05482	0.3
105.03400	1.1
105.07042	2.1
106.04163	1.4
107.04959	24.0
107.08595	1.1
108.05745	10.1
108.06311	0.2
109.06535	1.6
109.10155	0.4
112.12891	0.3
118.04150	1.4
119.04971	0.6
119.06020	0.3
123.04442	1.3
123.08067	1.1
123.11736	0.6
133.10129	0.7
135.04428	5.8
136.05205	3.8
151.03952	1.5
151.07549	100.0
151.11159	1.5
152.07933	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	875-59-2
Peak:m/z	Relative Intensity
51.02378	0.4
53.03942	0.5
55.01868	0.4
55.05516	1.4
65.03943	1.6
66.04723	1.1
67.05505	2.7
68.99798	0.8
69.03429	0.4
69.07061	0.3
69.56459	1.0
69.56870	0.4
77.03932	0.4
78.04709	0.6
79.05499	3.3
80.06271	2.3
81.03427	0.6
81.07065	3.5
83.04991	0.5
89.03930	0.3
89.06048	0.3
90.04704	1.6
91.05489	8.3
93.03409	0.7
93.07051	2.6
94.04211	0.5
95.04968	1.6
95.08616	1.4
99.95896	0.2
105.03407	1.5
105.07037	3.2
106.04183	1.7
107.04961	23.4
107.08600	1.7
108.05750	9.8
109.06537	2.1
109.10145	0.9
118.04152	1.2
119.04973	0.7
119.06065	0.3
121.02854	0.3
121.06500	0.3
123.04436	2.1
123.08076	1.8
123.11716	1.0
133.06494	0.6
133.10144	1.1
135.04413	6.4
135.05438	0.4
136.05199	4.1
143.84238	0.2
151.03915	1.7
151.07552	100.0
151.11018	2.6
152.08025	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
50.29758	0.9
53.03955	2.3
55.01876	1.2
55.05513	5.5
65.03942	26.9
67.05501	5.4
69.07071	10.1
71.27417	1.8
79.05499	14.3
81.07059	28.4
83.08603	1.4
91.05481	10.9
93.03418	7.8
93.07049	69.2
95.04967	2.0
95.08596	4.6
98.03672	1.9
102.91269	1.0
103.05459	1.4
105.04498	1.3
105.07027	3.4
107.08601	39.6
108.04514	1.8
109.61063	0.9
111.04451	3.7
112.26163	0.9
119.08573	1.5
121.02877	39.1
121.03987	12.2
121.06489	1.4
121.09312	2.0
121.10136	17.0
124.39662	0.9
127.14202	0.9
147.11734	1.4
149.02356	100.0
149.03337	3.5
149.09616	4.0
149.13274	39.6
150.02609	1.2
150.05539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03951	4.7
55.01888	3.0
55.05516	13.8
57.07071	4.0
62.91677	2.6
65.03947	14.7
66.62176	2.4
67.05501	5.6
69.07076	22.1
69.28790	22.7
69.72371	2.6
78.79997	2.1
79.05502	30.3
80.75639	2.6
81.07063	19.4
91.05486	42.6
93.07048	100.0
93.07642	5.1
95.04974	4.7
95.08659	3.0
97.11531	2.7
105.07043	23.9
107.08598	96.3
109.06507	3.1
121.02872	18.6
121.03977	5.7
121.10140	40.5
121.10934	3.8
149.02347	52.6
149.13249	36.5
149.53697	2.3
167.60446	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	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
50.32133	1.2
53.03945	1.9
55.01871	2.1
55.05500	5.0
57.07084	1.8
63.32208	1.2
65.03617	2.2
65.03946	27.6
66.49205	1.3
67.05491	4.6
68.14471	1.1
69.07076	6.2
71.53410	1.6
79.05508	17.2
81.07074	10.9
91.05499	10.6
93.03426	7.8
93.07049	38.7
95.05016	1.6
95.08618	2.7
97.59794	1.3
103.05459	3.1
105.07019	5.2
107.08609	29.8
108.04470	1.8
111.04451	3.7
118.50952	1.2
120.85583	1.1
121.02879	47.6
121.03982	11.7
121.06512	3.4
121.10139	12.1
131.04944	2.0
133.22789	1.1
149.02359	100.0
149.05984	2.2
149.09628	5.8
149.13264	20.0
150.02751	1.8
167.72485	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03941	2.2
55.01865	1.4
55.05508	3.7
65.03610	2.1
65.03944	30.1
67.05513	14.6
69.07076	8.6
70.61607	3.0
79.05068	1.9
79.05499	23.0
79.46413	1.0
81.07063	34.4
83.08608	1.8
91.05490	12.5
93.03407	7.7
93.07047	44.1
95.08627	5.3
103.05488	1.4
105.07026	3.7
107.07872	2.1
107.08600	30.8
108.04509	2.9
109.06558	1.1
111.04457	4.4
119.08584	3.3
121.02877	42.8
121.03984	12.2
121.06518	1.6
121.10166	13.5
131.04958	1.1
131.08606	1.0
138.87856	0.9
149.02353	100.0
149.05971	2.7
149.09753	5.9
149.13264	33.0
150.02724	1.1
169.03456	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03951	3.9
55.05509	13.2
65.03943	10.9
67.05490	6.1
69.07082	17.5
70.11371	6.7
71.56271	1.5
72.54562	1.5
77.03892	1.8
79.05509	22.6
81.07063	43.4
83.08617	1.7
87.60934	1.7
91.05477	14.0
93.03417	2.8
93.07052	100.0
94.07384	1.7
95.04976	3.0
95.08617	8.9
105.07055	6.6
107.08606	58.9
108.04520	1.6
111.04449	1.8
111.05328	1.6
119.08582	2.4
121.02866	16.6
121.03999	5.7
121.10152	25.6
121.54696	1.7
125.11176	1.7
147.11710	2.2
149.02353	42.7
149.03503	3.3
149.06100	1.7
149.09663	2.8
149.13269	61.0
150.17863	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03940	4.2
53.92290	1.7
55.05521	8.6
60.03865	2.2
62.39054	1.6
65.03943	21.6
67.05495	2.7
68.27652	1.8
69.07073	12.5
79.05494	14.5
81.07057	29.1
91.05482	15.4
93.03387	5.7
93.07047	80.9
95.04983	3.0
95.08594	5.2
98.21553	3.3
105.07026	6.7
107.07874	3.4
107.08602	60.9
108.04474	3.0
111.04428	2.5
115.92103	1.6
119.06057	2.5
121.02864	36.8
121.03967	11.4
121.10143	25.4
123.08098	1.7
149.02345	100.0
149.09636	2.4
149.10768	2.2
149.13260	45.8
149.14395	3.3
169.40601	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03932	6.2
55.05500	6.6
61.06039	2.2
61.11338	2.2
64.35696	2.1
65.03938	7.7
67.05497	6.4
69.07076	18.7
69.75376	15.5
79.05492	21.1
81.07062	39.4
91.05467	20.1
93.07052	100.0
95.04960	2.8
95.08591	4.6
105.07031	8.3
107.08601	64.4
112.46093	2.4
119.08547	3.7
119.24076	2.2
121.02828	7.7
121.04016	5.1
121.10155	34.4
138.21655	2.3
149.02342	26.5
149.13263	59.8
150.13568	2.4
157.50812	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03942	3.8
55.01886	1.6
55.05509	7.5
57.07063	2.6
65.03943	28.4
67.05499	5.1
69.03440	1.4
69.07075	9.9
69.38396	5.0
69.38820	4.5
79.05494	17.7
81.07056	14.4
91.05489	24.6
93.03368	6.4
93.07050	64.4
95.04950	3.1
95.08579	2.6
98.03706	2.1
103.05449	1.6
105.03386	5.3
105.07033	14.1
106.07854	1.5
107.04975	1.7
107.08595	58.3
111.04427	4.4
116.06219	1.7
119.06048	1.4
119.08578	3.8
121.02869	36.7
121.03966	11.1
121.06549	4.1
121.10152	32.9
122.82731	1.4
123.08103	1.8
129.07005	3.1
129.86865	1.3
131.08554	10.8
149.02351	100.0
149.05992	4.8
149.08458	1.6
149.09631	25.8
149.13269	27.4
150.02710	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03948	5.7
55.01878	3.9
55.05504	7.4
57.07064	3.9
60.03154	1.6
60.22352	1.6
64.66463	1.6
65.03944	28.5
67.05498	5.8
69.07064	13.7
71.32666	2.9
71.33022	1.7
79.05503	26.6
81.07070	27.3
85.31180	1.9
91.05490	30.2
93.03402	5.3
93.07050	91.2
95.04980	3.2
95.08611	6.5
99.36848	1.8
103.05479	2.3
105.03408	4.1
105.04491	2.2
105.07015	11.4
107.04955	3.1
107.08596	67.9
108.04491	2.3
109.06562	3.0
111.04462	4.0
119.06112	2.6
119.08571	4.0
120.09393	2.2
121.02875	41.0
121.03989	10.8
121.06516	7.3
121.10143	28.2
131.08589	8.8
149.02353	100.0
149.06001	4.5
149.09621	24.6
149.13281	37.4
150.02596	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03937	3.5
55.01864	3.4
55.05510	2.5
65.03663	1.2
65.03945	15.4
67.05479	1.5
69.03424	4.4
69.75900	4.5
69.76310	2.4
76.19745	1.1
79.05495	16.9
81.07067	2.4
89.03927	3.2
91.05484	35.7
93.03410	4.5
93.07049	32.0
95.04955	2.5
98.20808	2.0
99.57334	1.1
103.05482	6.3
105.04522	1.1
105.07034	28.2
107.04974	5.1
107.08612	11.1
109.06535	2.9
111.04398	1.5
115.05463	4.4
116.06240	11.2
117.03384	2.5
119.08581	4.7
121.02872	21.8
121.03962	6.7
121.06517	21.4
121.10146	34.0
123.08070	3.1
129.06993	3.6
131.04956	3.1
131.08578	18.6
133.07631	2.0
134.07315	2.7
137.32658	1.3
147.08028	2.9
149.02361	56.0
149.06030	7.6
149.09627	100.0
149.13274	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	149.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01868	3.1
55.05492	1.1
59.05005	13.5
65.03942	31.6
66.63242	0.7
67.05505	0.9
69.03424	1.0
71.53338	1.0
73.06173	1.5
73.06557	18.1
79.05487	4.2
81.07103	1.2
89.03891	1.9
89.10419	0.7
91.05495	7.8
92.05773	0.8
93.03414	6.3
93.06169	1.1
93.07056	9.8
95.04978	2.0
98.03654	0.9
103.05474	10.3
105.07027	3.5
107.04963	1.8
107.08595	4.5
108.04477	1.7
111.04445	3.8
119.04948	0.7
121.02876	44.9
121.03981	11.3
121.05630	1.4
121.06502	14.6
121.10153	4.3
123.07955	0.7
131.04941	8.3
131.08566	2.5
131.71696	0.8
149.02356	100.0
149.03365	3.5
149.04912	2.1
149.06000	12.6
149.07118	1.4
149.09637	9.0
149.13254	1.7
150.02704	1.9
150.05533	2.1
167.03404	1.1
169.03471	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
53.03941	3.9
55.01866	3.3
55.05510	6.4
55.80676	0.7
56.96565	52.0
57.03424	1.7
65.03942	29.5
67.05506	6.4
67.51055	4.4
69.01059	0.8
69.03416	2.5
69.07072	12.8
70.13303	3.1
70.83000	0.8
70.98135	1.4
71.04978	1.1
71.08632	1.0
71.95247	1.7
74.97619	1.5
76.51574	1.4
77.03915	1.8
77.16171	0.7
79.05492	38.1
80.05014	2.4
81.03415	1.3
81.07050	3.5
83.04970	4.1
83.08626	2.2
85.02882	1.1
85.04829	2.9
88.01813	2.2
89.03917	1.0
91.05473	16.7
92.05798	2.2
93.02833	2.8
93.03406	5.9
93.07047	30.7
93.07641	1.7
94.06575	2.4
95.04962	6.3
96.01574	1.3
97.96778	1.5
97.99178	8.3
98.03098	1.0
98.03695	1.1
98.97589	3.5
100.99149	2.9
101.07974	0.8
102.03358	11.6
103.02343	1.6
103.05467	78.2
104.01290	0.9
104.03101	4.6
104.05786	1.2
105.04511	2.0
105.07015	2.6
106.06593	1.1
107.04961	23.2
107.08580	1.7
108.04462	3.7
109.02838	1.0
110.45883	0.8
110.97565	1.7
111.03743	5.7
111.04515	11.4
112.02838	2.6
113.02964	0.8
113.03627	5.7
115.04120	2.1
115.53875	1.3
116.00213	2.7
116.06275	1.1
116.98625	1.7
117.02055	2.1
119.00198	4.9
119.01884	0.8
119.04937	2.1
120.05267	1.1
121.02871	44.2
121.03976	13.2
121.05553	2.9
121.06489	21.6
121.07381	1.2
121.10223	0.9
122.06063	2.1
122.06895	0.9
123.07977	0.9
124.04629	4.7
124.99115	1.2
125.01811	0.9
126.02573	3.1
126.59444	0.9
128.98627	1.4
131.04910	12.6
131.08563	1.1
134.52539	0.9
135.03093	2.5
137.01227	2.2
139.05026	1.0
143.00179	3.3
145.01736	1.2
146.99669	1.0
149.02347	100.0
149.03346	3.7
149.04872	4.4
149.05994	15.4
149.07065	1.1
149.09633	2.6
149.10648	0.9
150.02705	1.5
150.05501	6.6
150.07791	1.5
150.09084	1.7
161.01222	6.6
161.04883	1.5
162.99112	1.0
163.02780	3.7
167.03442	1.3
167.05605	1.1
168.76883	0.8
169.03534	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	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03946	2.6
55.05514	6.9
59.06075	1.2
63.94447	1.4
64.92804	2.0
65.03919	1.7
67.05178	1.4
67.05510	15.6
69.07069	3.4
69.24030	4.2
69.24448	8.4
74.40296	1.2
79.05490	12.4
81.07055	10.1
82.59837	1.4
83.06919	6.5
87.10007	1.4
87.15633	1.2
91.05489	65.1
93.07054	6.9
98.20737	3.2
100.07616	3.8
101.07946	17.5
103.05468	3.2
105.04491	1.6
105.07042	100.0
107.08574	3.2
117.07023	7.2
118.07804	1.7
119.04933	3.1
119.08591	72.3
123.96471	3.3
132.09335	4.4
145.10138	3.6
147.04431	2.1
147.08539	6.4
147.11699	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	10.1
64.92793	4.7
65.03940	1.3
67.05495	3.6
67.43695	1.1
69.07072	2.6
79.05499	7.2
81.07037	3.3
82.06573	1.8
83.06903	4.7
91.05489	33.7
93.07034	4.6
95.04953	1.5
98.20749	3.7
100.07634	3.2
101.07386	1.8
101.07969	14.5
103.05478	2.7
104.44868	1.3
105.07039	100.0
107.08562	2.3
115.05424	1.6
117.07014	9.6
119.04953	8.0
119.08589	77.7
119.26031	1.0
123.96471	9.0
130.07594	1.1
131.08615	1.2
132.09364	4.8
145.10086	5.5
147.04419	3.7
147.05524	1.7
147.08540	8.3
147.11700	76.2
148.11984	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
54.57235	0.6
64.71086	0.6
65.03941	7.3
70.04156	1.8
70.04577	1.3
71.33111	0.6
83.06912	0.8
91.05486	82.6
92.05824	1.0
94.72119	0.6
100.07600	0.8
101.07938	1.5
119.04948	100.0
120.05269	0.8
129.04591	0.6
147.04416	54.9
147.08417	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77381	1.6
53.75473	1.6
55.05518	11.1
64.92801	6.0
66.94514	1.6
67.05499	5.6
69.07070	4.8
71.41495	2.4
75.04107	1.6
79.05495	11.1
81.07063	5.7
83.06914	7.8
86.46301	1.5
91.05485	44.1
93.07038	5.9
100.07613	5.2
101.07951	18.3
103.05493	1.6
105.07039	100.0
107.08604	4.1
117.07014	7.7
119.04944	6.5
119.08593	84.2
123.96494	8.7
123.97276	1.5
132.09299	4.4
145.10158	6.5
147.04384	4.5
147.08511	8.0
147.11699	82.0
163.96097	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03951	1.5
54.06099	1.6
55.05516	10.9
57.14359	1.2
59.53885	1.2
64.56563	1.3
64.92783	1.7
65.03934	1.5
65.70087	1.5
67.05510	5.6
69.07066	3.0
70.21581	4.6
79.05508	7.9
81.07056	4.7
83.06906	5.5
91.05485	40.3
93.07055	6.3
95.04933	1.6
100.07632	5.4
101.07951	17.5
103.05489	2.7
105.07037	100.0
117.07019	8.2
119.04969	4.8
119.08594	63.0
123.96455	6.0
132.09366	2.2
145.10139	5.9
147.04372	3.0
147.08488	8.4
147.11699	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0813
Annotation	2-Amino-5-oxohexanoate
Peak:m/z	Relative Intensity
65.17345	0.3
67.04245	0.7
67.60868	0.3
69.87251	1.3
69.87663	0.6
72.08162	0.6
82.06584	31.7
96.51302	0.3
100.07623	100.0
101.07945	0.9
105.55769	0.4
109.39327	0.3
128.07071	2.0
146.08125	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03156	0.3
58.36916	0.3
61.13427	0.4
64.04045	0.4
67.04265	0.7
67.30927	0.4
71.12445	0.8
72.03355	0.4
72.08166	0.8
73.36858	0.4
81.75455	0.4
82.06584	32.5
83.06936	0.4
86.84704	0.3
87.02841	0.4
87.04478	0.6
100.07623	100.0
101.07955	1.1
128.07115	2.1
146.08131	35.5
147.08472	0.6
156.27678	0.4
156.46716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12451	0.6
54.44816	0.7
54.85469	0.6
65.37815	0.7
69.07076	16.5
69.21389	6.2
82.06584	5.7
85.32020	0.5
86.09713	100.0
88.19550	0.6
91.05492	2.1
95.12306	0.7
98.21508	1.5
100.07623	14.2
118.11364	0.6
119.04937	3.2
120.10590	0.5
128.07121	0.8
146.08139	5.3
146.11783	1.3
147.04440	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.2
55.05518	8.1
55.15744	1.1
56.05017	1.2
57.07082	7.1
59.04995	2.5
67.05495	5.2
69.03433	12.4
69.07054	4.0
69.49657	7.6
70.06596	2.4
71.04998	45.2
73.06551	5.7
79.05494	2.5
81.07043	2.9
83.04973	4.7
83.08615	4.5
84.08141	2.9
85.02896	1.7
85.06548	19.6
91.16733	1.2
97.02898	20.2
97.06530	2.5
97.10159	6.7
98.06063	4.2
98.09705	3.0
98.21425	2.9
106.67996	1.3
107.08607	15.9
120.67818	1.2
125.02360	26.5
125.05982	1.9
125.09646	12.9
126.12785	1.2
128.06224	4.9
143.03401	100.0
143.08528	2.5
143.10638	1.8
144.03676	1.5
144.06575	2.1
144.13832	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	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.5
55.01867	1.7
55.05509	8.9
57.07082	7.0
59.04995	1.9
67.05518	5.5
69.03435	12.3
69.07049	1.9
70.06596	2.3
71.04997	45.6
71.54597	1.3
73.06557	6.4
79.05482	3.3
81.07050	2.7
83.04978	4.3
83.08617	5.7
84.08140	4.8
85.06544	20.3
93.64299	1.1
97.02899	22.2
97.06519	3.0
97.10177	8.1
98.06046	4.6
98.09688	1.3
101.95072	1.8
107.08597	15.5
113.51985	1.0
119.01936	1.5
121.63138	1.2
125.01476	1.8
125.02365	29.0
125.05968	1.4
125.09649	11.8
126.12794	2.0
128.06221	6.2
139.01793	1.5
143.03403	100.0
143.08580	3.5
143.10666	4.7
144.10291	1.3
144.13847	4.3
164.54630	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74197	0.9
53.41628	0.9
55.01866	1.9
55.05516	5.5
57.07084	5.7
59.04990	1.6
61.47186	0.9
67.05491	3.2
69.03432	10.9
69.07063	3.1
70.06587	2.6
71.01325	1.3
71.04603	1.5
71.04996	29.8
71.52930	1.5
73.06544	5.9
77.31198	1.2
79.05531	1.1
81.07084	1.6
82.86378	1.0
83.04984	2.3
83.08621	2.4
84.08132	4.2
84.18732	1.0
85.02885	1.5
85.06556	13.9
89.33648	1.0
97.02902	22.4
97.06547	2.3
97.10181	4.0
98.06062	6.6
98.09682	1.8
99.78361	0.9
101.00897	2.0
101.95046	1.2
104.42524	1.0
107.08614	11.6
119.01907	1.5
125.02358	33.1
125.09657	7.5
126.43579	1.0
128.01118	1.0
128.06227	7.4
140.61124	1.0
143.03404	100.0
143.08530	4.3
143.10707	2.4
144.03778	1.7
144.13834	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	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85986	0.9
52.51090	0.8
55.01859	2.2
55.05525	5.1
55.35289	0.8
57.07087	4.5
59.04990	1.8
60.95848	0.9
67.05499	3.0
69.03439	9.6
69.07076	2.2
69.59634	3.8
69.60036	1.8
70.06590	3.5
71.05001	28.5
73.06556	3.6
76.80737	0.8
79.05512	1.2
81.07038	1.1
83.04975	3.3
83.08613	3.1
84.04492	1.0
84.08151	7.3
85.02919	1.7
85.06554	12.7
85.08520	0.8
86.91598	0.8
97.02900	23.3
97.06511	2.0
97.10160	5.0
98.06049	7.9
98.09710	1.8
98.20810	1.0
101.95050	2.9
107.08601	10.2
117.48696	0.9
119.96017	1.5
120.96580	1.1
125.02365	33.3
125.05962	0.9
125.09647	6.4
126.12825	3.5
128.06232	3.8
139.01804	1.4
143.03407	100.0
143.08366	1.5
143.10716	2.3
144.06606	2.3
144.13872	5.4
164.05263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11971	0.4
53.73621	0.4
54.98642	0.4
56.96572	14.5
57.53516	0.4
64.78898	0.4
70.34288	1.1
71.95271	5.6
81.04538	1.0
84.01556	0.5
90.27773	0.4
98.97593	100.0
112.35452	0.4
116.98632	38.9
121.15707	0.5
122.07189	0.4
125.78944	0.4
134.99673	7.9
140.00226	0.9
140.08194	1.2
158.01411	0.4
158.69229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69049	4.7
70.67179	11.0
70.67551	11.1
86.74567	5.8
89.76765	5.9
100.97203	6.0
101.00886	61.1
119.01933	100.0
122.19890	5.6
124.02477	13.4
137.02962	20.8
142.03502	41.3
160.04581	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	142.0865
Annotation	Arecaidine
Peak:m/z	Relative Intensity
55.01885	0.8
55.05526	0.8
55.70248	0.6
56.05039	1.7
56.71353	0.6
57.58765	0.5
65.96085	0.6
68.05032	0.7
69.03443	1.8
71.05000	29.4
71.44446	1.3
72.04523	10.7
79.05503	12.1
82.02950	1.4
82.60809	0.6
83.05094	0.7
84.08158	1.8
96.04514	0.6
96.08138	3.9
97.02891	1.1
98.05993	0.7
100.98034	0.7
101.73633	0.6
106.06563	35.1
116.13723	0.8
119.01857	1.1
124.07600	100.0
125.02342	1.7
125.07971	1.9
142.08641	24.3
143.03416	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	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51611	0.4
56.85950	0.4
56.96571	14.4
69.46895	0.8
69.47305	2.4
71.95269	4.4
83.86088	0.4
86.11077	0.5
88.41740	0.5
97.79152	0.6
98.97591	100.0
114.80704	0.5
116.98628	37.6
134.99667	8.3
140.00206	1.0
142.37012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52955	0.6
56.96568	14.5
69.90235	2.2
69.90637	1.3
71.69823	0.5
71.95267	4.0
76.14091	0.6
79.72460	0.6
98.97595	100.0
116.98634	39.8
134.99660	8.6
140.00200	1.2
153.00691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02480	0.3
56.96301	0.7
56.96575	14.1
62.76714	0.3
66.56369	0.3
69.35208	0.3
70.74908	0.6
70.75238	0.6
71.95271	4.3
72.19407	0.4
84.57475	0.3
85.14001	0.4
98.97599	100.0
116.98637	38.6
121.07684	0.4
134.99689	7.6
137.08253	0.4
140.00232	0.6
142.68633	0.4
153.00800	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03941	0.7
55.01876	3.4
55.05510	2.3
56.96569	2.6
62.04010	0.2
65.03613	0.4
65.03944	5.8
67.01853	1.1
67.05506	1.2
68.99792	5.3
69.03434	1.8
69.07111	0.2
69.60812	1.4
71.01359	0.7
81.07077	0.3
83.04988	4.8
93.03407	4.6
93.07017	0.4
95.04950	0.6
95.50123	0.2
97.02899	2.0
97.06537	0.5
98.97594	0.8
98.98492	1.1
111.04446	20.0
111.08098	0.3
112.04774	0.2
116.97245	0.3
116.98628	0.5
121.02899	0.9
121.04002	0.9
139.03909	100.0
139.11153	0.6
140.04269	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.00310	5.6
53.03942	0.8
55.01890	2.8
55.05504	1.4
56.96564	4.6
64.91193	0.4
65.03622	0.6
65.03945	10.6
67.01852	1.5
67.05506	2.5
67.28646	0.4
67.60204	0.5
68.99800	4.0
69.03440	0.7
70.56078	1.3
71.01343	1.0
83.04982	3.4
83.70341	0.6
87.16534	0.5
93.03411	5.3
93.07049	0.6
95.04964	1.5
95.08572	0.5
97.02897	1.2
97.06529	0.5
98.97593	12.7
98.98330	0.7
98.98465	0.7
109.72588	0.5
111.04449	12.9
111.05222	0.6
116.98627	4.4
121.02883	7.4
121.03784	0.9
130.40332	0.6
134.99663	1.2
139.03911	100.0
140.04265	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1482
Annotation	3-Ethyl-1,5-octadiene
Peak:m/z	Relative Intensity
51.29565	1.2
52.12664	1.1
53.03936	2.2
55.05515	73.3
56.53600	1.1
57.06834	1.5
57.07079	17.9
58.02963	1.8
69.03451	1.7
69.07071	46.3
70.06592	1.2
71.08613	1.6
71.46042	1.2
81.07055	2.3
83.06111	2.0
83.08624	100.0
84.08141	1.5
93.04534	3.6
93.07047	1.2
95.06072	1.5
97.10171	18.1
98.07176	4.8
98.09718	1.8
98.98437	1.8
102.64891	1.3
118.34946	1.2
121.04004	12.8
122.07185	2.8
139.04068	1.2
139.05005	6.2
139.05933	1.6
139.07622	1.7
139.08675	3.6
139.09680	2.4
139.12306	7.0
139.13237	2.1
140.08192	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03951	2.2
55.01880	4.9
55.05516	2.2
56.96559	1.1
65.03945	11.5
67.01880	3.5
67.05508	6.5
67.73837	0.4
68.99439	0.7
68.99794	9.7
69.02443	0.5
69.03424	2.2
70.97942	1.1
70.98315	1.0
71.01331	1.0
79.05476	0.6
80.81642	0.4
83.04984	5.3
93.03416	9.9
95.04961	2.5
97.02878	2.2
97.06536	0.6
98.97586	1.0
98.98499	0.5
99.00833	0.6
111.04449	18.4
116.98657	0.6
121.02897	1.9
121.03899	0.7
139.03911	100.0
139.11206	0.7
140.04239	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01874	3.6
55.05516	2.9
56.96568	4.5
57.93535	0.3
61.44178	0.2
65.03943	5.8
67.01859	1.1
67.05509	1.7
68.99445	0.4
68.99792	5.3
69.03435	2.5
69.07052	0.2
69.98586	1.1
71.01340	0.8
83.04984	5.2
91.05462	0.4
93.03410	4.9
93.04559	0.4
93.07053	1.3
94.06551	0.4
95.04966	1.2
95.08585	0.5
97.02893	1.9
97.06545	0.6
98.97594	1.2
98.98456	1.5
111.04448	20.3
116.97236	0.4
116.98613	0.7
121.02865	1.1
121.03994	1.2
134.99644	0.3
139.03908	100.0
139.11198	0.7
139.12225	0.3
140.04280	1.3
157.35489	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	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03942	1.4
53.47535	0.4
55.01868	0.6
55.05512	5.1
57.07079	8.3
65.03941	1.6
66.04716	0.6
67.05508	26.0
69.07074	7.6
69.57097	1.6
69.57505	1.1
71.08646	0.9
74.05531	0.4
75.23873	0.4
79.05066	0.9
79.05499	10.0
81.03427	0.9
81.07060	83.5
82.07401	0.9
91.05489	4.7
93.07053	6.1
94.04188	3.2
95.04987	1.1
95.08611	100.0
96.08967	0.7
107.04958	1.1
107.08590	1.0
108.09271	0.5
109.06512	1.8
109.10157	8.4
111.63113	0.5
116.85357	0.4
119.04932	1.3
119.08575	1.5
121.06548	0.8
122.03661	6.1
122.07291	8.6
137.02414	5.2
137.05971	17.6
137.09624	12.2
137.10544	0.3
137.13263	15.1
138.05515	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03932	2.2
55.05509	4.0
57.07075	9.1
65.03943	1.4
67.05509	26.9
69.07072	8.4
69.69460	4.9
79.05505	11.0
81.03413	10.4
81.07058	93.2
82.07372	1.3
91.05492	8.3
93.07033	7.9
94.04174	3.2
95.04960	2.0
95.08610	100.0
96.02093	1.3
96.08923	3.0
105.04539	1.3
109.06513	4.4
109.10185	8.0
119.05013	1.5
122.03688	2.4
137.02367	24.2
137.05974	15.0
137.06966	2.0
137.09648	5.5
137.13261	18.7
143.06963	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03953	1.8
55.05515	4.8
57.07082	9.0
63.88017	0.9
65.03933	1.6
67.05511	20.5
69.07071	8.0
69.29291	7.8
79.05492	7.5
81.07059	65.4
91.05490	5.2
93.07046	8.3
94.04189	4.9
95.04982	1.1
95.08612	100.0
96.08944	1.2
98.61246	0.8
108.09391	1.0
109.06522	2.1
109.10158	6.6
119.04948	1.5
119.08593	1.0
121.06543	1.0
122.03635	5.5
122.07291	1.0
130.57286	0.9
137.02454	2.0
137.05978	18.6
137.09602	4.0
137.13257	16.1
138.05473	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03944	1.3
55.05511	4.4
57.07079	15.7
61.95325	0.8
62.92614	0.9
67.05506	21.1
67.81821	0.9
69.07069	6.1
71.53363	1.5
79.05498	6.7
81.07059	67.1
83.05485	0.9
86.15730	0.8
88.12232	0.9
91.05466	3.1
91.12276	0.8
93.07058	6.3
95.08611	100.0
96.08929	1.0
100.07331	0.8
107.08571	0.9
109.06521	1.7
109.10149	10.1
111.14981	1.0
137.02437	2.9
137.05927	5.0
137.06979	1.0
137.09598	2.2
137.13258	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	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
52.02690	0.6
55.05509	5.2
56.59129	0.8
57.07077	9.3
66.99443	0.6
67.05506	19.5
69.07072	7.5
70.14702	1.4
70.15105	2.3
71.08624	1.4
77.11871	0.7
79.05489	8.0
81.07061	82.0
91.77350	0.9
93.07050	5.4
95.08612	100.0
96.08925	1.5
107.08604	0.8
108.09416	0.9
109.10181	6.7
137.13261	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03962	1.0
55.05502	4.7
57.07076	9.5
60.91088	0.9
65.03935	1.3
67.05508	22.0
69.07076	8.1
69.29236	1.0
69.92797	3.7
70.29691	0.8
72.60248	0.8
78.76398	0.8
79.05484	8.7
81.07057	66.9
82.07360	1.1
91.05496	5.2
93.07043	7.6
94.04173	2.2
95.04956	1.9
95.08611	100.0
109.06530	2.6
109.10164	9.5
119.04928	1.2
122.03687	1.8
137.02415	4.2
137.05934	10.3
137.06775	0.9
137.09612	3.9
137.10603	0.8
137.13261	17.4
138.05452	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03933	3.6
55.01861	3.4
55.05516	6.4
57.07074	1.3
65.03945	5.9
66.04716	3.0
67.05505	53.8
68.05858	1.2
69.03431	3.1
69.07056	3.5
69.76704	4.3
79.05499	13.0
81.03410	2.8
81.07059	28.2
83.04961	1.6
91.05485	63.7
93.07053	14.4
94.04193	22.5
94.07845	1.2
95.04967	15.9
95.08614	24.0
98.20781	2.0
105.07041	2.1
107.04950	8.5
107.08578	7.2
107.89445	1.0
109.06521	36.0
109.10160	37.2
117.07026	2.0
119.04948	13.8
119.06083	2.1
119.07751	1.6
119.08573	14.1
121.06525	2.7
122.03648	35.2
122.07290	33.5
122.08181	1.4
135.08095	1.3
137.02419	7.2
137.05986	93.1
137.09616	100.0
137.13225	1.9
138.05507	1.5
138.09952	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1327
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
50.36870	0.9
53.03950	1.3
55.05511	3.8
55.52435	0.8
57.06824	1.4
57.07080	12.8
65.03934	1.8
67.05179	1.6
67.05513	20.8
68.14946	0.8
68.48347	0.8
69.07075	7.6
70.93176	1.7
79.05499	8.2
81.03423	1.9
81.07067	78.0
91.05512	5.6
93.07053	9.6
94.04182	1.7
95.04989	1.5
95.08617	100.0
100.85423	0.9
107.08685	0.9
108.09465	0.9
109.06528	3.4
109.10166	8.9
119.04937	2.1
122.03684	2.4
122.07307	1.1
137.02530	4.1
137.05977	13.8
137.06995	1.6
137.09618	3.8
137.10643	1.1
137.13289	18.8
138.05518	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
52.03159	1.4
53.03946	3.6
55.01877	10.8
55.02386	1.5
55.05520	14.4
57.03448	2.4
57.07079	3.3
64.38786	1.4
65.03944	6.6
66.04720	1.5
67.05512	100.0
69.03444	8.5
69.07081	7.6
70.97499	2.7
70.97822	1.7
74.94492	1.4
79.05501	17.3
81.03424	4.9
81.07066	58.8
91.05489	41.6
91.05926	0.9
91.64854	1.6
92.05814	1.7
93.07049	25.5
94.04196	13.8
95.04980	21.1
95.08619	49.0
95.38724	1.4
100.80685	1.6
103.05463	1.6
105.04552	2.4
105.07038	6.8
105.60224	1.6
107.04969	3.8
107.07877	2.7
107.08604	53.6
109.02837	2.3
109.06531	53.7
109.07661	2.3
109.10168	68.0
117.07049	3.8
119.04969	3.6
119.06065	6.9
119.08587	25.8
119.09377	2.4
121.02894	1.9
121.06483	1.3
122.03671	21.9
122.07358	8.0
137.02408	5.8
137.05991	67.9
137.09631	66.7
137.13239	2.9
138.05486	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03954	0.4
65.03941	0.6
66.04716	2.7
67.05512	0.6
77.03940	0.6
79.05495	2.8
81.07078	2.1
91.05495	3.1
94.04192	25.3
95.04475	0.5
95.05008	0.7
95.08608	0.9
101.45860	0.3
105.03410	0.4
107.04964	1.1
109.06557	0.7
122.03655	44.3
123.03995	0.8
132.45541	0.3
135.04434	0.7
137.05984	100.0
137.13177	0.4
138.06303	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
50.47648	1.3
53.03938	3.1
55.05498	3.7
65.03937	2.6
66.04688	2.0
67.05505	31.4
69.03416	1.3
69.07057	2.7
69.58711	2.2
69.59117	5.8
79.05491	7.1
81.03395	1.3
81.07053	33.3
91.05485	19.2
93.07041	10.0
94.04183	16.0
95.04951	5.5
95.08607	33.7
107.04961	13.1
108.25547	1.1
109.06519	7.1
109.10156	28.6
110.06048	1.4
117.06996	1.6
119.04974	3.3
119.08588	12.0
121.06489	6.1
122.03651	26.0
122.07288	60.2
135.08047	1.6
137.02460	10.8
137.05975	73.7
137.09613	100.0
137.13237	5.1
138.05467	3.2
138.06422	1.2
138.09982	2.1
139.33583	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.07388	1.3
53.03956	7.1
55.05519	24.1
56.14462	1.2
57.07074	1.3
59.01439	1.2
62.95655	1.4
67.05521	8.1
69.07078	16.0
69.52786	9.9
79.05505	49.5
81.07066	10.4
91.05497	38.0
93.07058	100.0
94.07845	3.9
95.04991	5.4
95.08591	1.9
97.05158	1.3
105.04567	2.8
105.07055	13.4
107.04964	2.9
107.08612	85.2
108.08913	2.0
109.06531	2.6
115.05429	2.0
119.06088	2.0
119.08618	4.7
120.09377	2.1
135.04454	5.2
135.08083	5.7
135.11716	35.7
136.02238	6.7
136.06187	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02390	0.4
51.27926	0.2
53.03948	0.9
53.62913	0.2
55.01874	0.5
65.03932	0.8
66.04725	3.4
67.05496	0.7
69.52248	0.9
69.52661	0.5
77.03913	0.6
79.05503	2.9
81.03416	0.3
81.07059	2.9
91.05480	3.3
94.04190	27.6
95.05016	0.4
95.08607	1.1
105.03387	0.4
107.04962	1.6
109.06522	0.8
122.03654	47.9
123.03973	0.8
135.04425	0.7
137.05984	100.0
137.13242	0.4
138.06354	1.5
155.86224	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.4
53.98839	0.9
55.05516	5.8
57.07067	1.3
60.56736	1.0
60.83620	1.0
65.03941	2.2
67.05495	1.9
69.07072	2.5
71.45431	1.1
77.03925	1.6
79.05496	15.8
81.05724	1.0
81.07067	2.0
91.05484	24.7
91.69803	1.1
93.07043	53.0
95.04965	3.7
104.56819	1.0
105.04501	1.9
105.07017	9.7
107.04939	2.1
107.08597	100.0
109.06511	3.2
117.06982	1.1
117.31352	1.0
119.03424	1.2
119.06081	3.1
119.08571	7.8
120.09352	2.4
135.04407	3.1
135.08060	2.4
135.10701	2.1
135.11696	25.4
136.02162	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03943	4.3
55.05513	14.9
55.25261	1.4
65.03931	2.9
66.80544	1.6
67.05492	3.0
69.07066	5.9
69.63994	9.4
71.12735	1.4
79.05502	31.3
81.07043	3.6
91.05490	42.3
93.07051	71.9
95.04962	6.9
105.04546	2.7
105.07037	13.4
106.07836	1.5
107.04954	2.6
107.08602	100.0
109.06517	3.3
117.07005	2.3
119.06130	3.4
119.08595	12.6
120.09344	3.1
133.10054	2.0
135.04405	2.0
135.08075	4.9
135.11700	35.0
136.02168	3.3
151.68243	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
55.05517	6.9
56.65768	0.7
57.19980	0.6
63.43429	0.7
65.03945	1.6
67.05496	2.5
69.07078	3.7
77.03942	1.2
79.05505	18.4
79.05972	0.9
81.07075	3.4
83.65318	0.7
91.05494	24.5
92.05788	0.9
92.84373	0.7
93.07056	57.8
94.07864	1.7
95.04978	3.0
105.04530	1.1
105.06380	1.4
105.07030	11.8
107.04960	1.3
107.08607	100.0
108.08939	1.5
109.06527	4.1
119.06073	3.3
119.08616	5.2
120.09348	2.2
132.13042	0.7
135.04437	2.8
135.08070	2.2
135.10696	1.6
135.11708	25.8
136.02159	1.3
147.09155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03935	4.1
53.05319	0.9
54.51371	1.0
55.05512	8.4
57.07052	1.3
65.03931	1.8
67.05490	3.9
69.07050	4.4
69.28296	3.9
69.28719	5.9
77.03940	1.3
77.10200	1.0
79.05494	19.9
81.07052	3.4
84.34064	0.9
91.05487	25.2
93.07047	58.4
95.04952	3.8
96.30553	1.0
103.05479	1.2
105.04522	1.7
105.07024	9.8
107.04933	1.9
107.08597	100.0
108.08887	1.7
109.06516	2.8
119.06051	2.4
119.08569	4.4
120.09344	1.7
122.36814	1.0
135.04417	2.5
135.08031	3.0
135.11691	27.1
136.02132	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.75319	2.0
53.03936	3.6
55.05511	15.0
66.41651	2.3
67.05517	20.0
69.07061	6.5
70.41768	2.0
70.76603	6.1
71.44617	2.1
79.05073	3.8
79.05499	55.1
81.07067	21.4
91.05489	26.6
93.07050	100.0
95.04967	4.9
95.19639	2.7
105.07027	6.1
107.08602	82.6
110.13281	2.5
119.08583	3.9
135.11700	77.3
136.02187	3.5
136.06227	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03948	4.7
55.05506	11.9
61.82533	2.3
66.14784	2.4
67.05512	16.8
69.07068	8.0
70.54010	7.2
79.05499	57.8
81.07073	18.8
91.05477	21.3
91.06832	2.7
93.07050	100.0
95.04961	2.7
105.07038	6.2
107.07876	5.1
107.08593	80.2
108.93150	2.6
119.08562	4.2
134.71280	2.5
135.08072	4.0
135.11699	64.2
136.02153	4.0
136.06177	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	135.0806
Annotation	Isochavicol
Peak:m/z	Relative Intensity
51.02363	0.9
53.03946	5.7
55.01864	1.8
55.05513	4.1
55.28283	0.6
56.96574	0.6
65.03940	1.8
67.05505	2.5
69.03431	0.7
69.07060	1.8
77.03920	1.9
79.05495	27.5
81.07052	2.2
89.03911	1.5
91.05483	22.2
92.05817	1.2
93.03391	0.6
93.07047	30.1
94.07391	0.7
95.04964	7.9
105.04523	2.5
105.07030	12.1
107.04958	100.0
107.08597	57.8
108.05272	1.3
109.06522	2.0
109.52344	0.6
115.05449	3.4
117.07013	2.9
119.06081	2.9
119.08584	5.1
120.09361	1.3
135.04454	8.4
135.08061	57.5
135.11693	21.2
136.02161	7.2
136.06207	2.4
136.07520	1.5
136.11191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.09572	1.2
53.03954	5.2
55.05515	9.1
65.03924	1.6
67.05514	1.7
69.07052	2.4
70.00152	5.1
74.50161	1.0
77.03908	1.9
79.05500	14.9
81.07056	3.5
91.05481	30.6
93.07046	58.3
95.04955	3.9
105.04534	1.5
105.07039	19.4
106.04164	1.3
107.08596	100.0
109.06509	4.5
117.07033	1.6
119.06087	3.3
119.08592	8.2
120.09352	3.5
134.85345	1.1
135.11688	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03941	4.6
55.01668	1.5
55.01876	15.9
55.05505	2.3
65.03947	9.2
67.05518	10.2
68.90224	1.7
69.03438	21.7
79.05501	63.8
81.07049	2.1
89.17354	1.4
91.05486	100.0
92.06295	2.5
92.06901	1.7
93.07054	27.4
95.04977	8.9
97.21797	1.6
105.07043	38.0
107.04960	14.2
107.08602	96.6
109.06516	10.9
112.01062	1.6
115.05462	28.2
117.07033	30.0
119.06082	8.2
119.08581	3.6
124.05244	1.8
135.04424	12.4
135.05493	3.4
135.08069	77.4
135.09119	4.1
135.11699	18.7
136.02168	26.1
136.05255	3.0
136.06203	12.0
136.07478	2.8
151.27499	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.93827	0.4
53.03936	1.0
55.01865	1.0
55.05507	0.7
57.00013	0.5
58.33790	0.4
58.75549	0.4
65.03938	3.0
66.22030	0.4
67.05499	1.8
69.03435	0.6
79.05499	14.7
81.07075	0.4
89.85005	0.5
91.05488	48.9
92.05777	0.8
92.06306	1.0
93.07053	4.2
93.21296	0.4
95.04961	1.1
102.36574	0.5
105.04520	0.6
105.07046	14.1
107.04981	3.1
107.08602	32.4
108.08939	0.6
109.06521	5.6
115.05464	34.4
116.06238	1.5
117.07025	25.0
119.06077	4.2
119.08600	1.4
120.05734	1.7
133.06454	1.0
135.04454	1.6
135.08063	100.0
135.11624	3.2
135.57133	0.4
136.02168	2.4
136.06204	1.7
136.08401	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
50.77626	0.9
52.21014	0.9
53.03952	6.4
55.01839	1.6
55.05511	1.1
59.94132	0.9
63.02374	3.4
63.43085	1.0
65.03941	1.5
69.14846	8.2
69.15264	2.2
76.01642	0.9
79.05070	1.9
79.05500	26.7
81.07064	1.0
89.03922	77.0
90.04234	1.0
91.05485	10.7
93.07055	10.6
95.04971	5.1
98.21631	1.6
105.04516	3.4
105.06384	0.9
105.07044	3.9
107.04962	32.4
107.08603	16.7
109.48260	1.0
115.05463	1.7
117.03387	40.5
117.07021	1.5
119.08558	1.9
135.04425	100.0
135.08052	15.3
135.11716	5.7
136.02142	5.9
136.04794	2.2
136.06183	7.0
145.03941	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14720	1.5
55.01877	4.0
55.05511	1.8
55.41426	1.6
56.96573	37.4
57.03437	15.8
59.05006	2.4
59.48273	1.7
60.69466	1.5
61.02913	1.7
69.03432	3.7
70.02953	6.9
70.14873	6.9
70.99876	2.9
71.04993	1.9
71.95280	1.9
72.52995	3.9
73.02922	2.9
74.02451	100.0
77.52180	4.2
78.52967	3.6
79.02148	2.0
81.03446	3.0
81.50797	1.9
82.01456	8.8
83.04964	2.5
84.04494	2.7
84.52958	1.8
84.96040	3.9
85.02907	3.8
85.53754	1.7
86.52722	12.7
87.52564	1.9
88.02750	3.1
88.04004	58.4
88.51577	7.0
90.52969	2.4
91.52020	1.6
92.52698	1.8
93.01932	2.6
93.53480	2.7
95.53216	5.6
97.02883	1.9
97.52102	6.4
98.97596	19.0
99.53473	2.5
100.02496	13.7
101.00898	17.5
101.02603	2.0
102.02363	3.3
104.52657	2.0
106.00285	1.9
109.32613	1.5
110.52892	4.3
111.02074	5.6
111.02937	5.2
111.51736	1.7
113.00903	4.5
115.02440	2.3
116.03471	6.5
116.98626	5.6
118.03542	4.2
119.01957	15.3
119.53394	13.2
119.97344	3.9
121.01620	2.0
124.02477	8.8
128.49512	2.5
128.97847	2.9
131.01933	10.2
131.02800	2.2
131.53261	1.6
134.04512	2.3
137.98372	2.5
142.03526	18.8
143.01878	2.9
144.98106	2.0
147.43341	1.5
154.03505	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	134.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14720	1.5
55.01877	4.0
55.05511	1.8
55.41426	1.6
56.96573	37.4
57.03437	15.8
59.05006	2.4
59.48273	1.7
60.69466	1.5
61.02913	1.7
69.03432	3.7
70.02953	6.9
70.14873	6.9
70.99876	2.9
71.04993	1.9
71.95280	1.9
72.52995	3.9
73.02922	2.9
74.02451	100.0
77.52180	4.2
78.52967	3.6
79.02148	2.0
81.03446	3.0
81.50797	1.9
82.01456	8.8
83.04964	2.5
84.04494	2.7
84.52958	1.8
84.96040	3.9
85.02907	3.8
85.53754	1.7
86.52722	12.7
87.52564	1.9
88.02750	3.1
88.04004	58.4
88.51577	7.0
90.52969	2.4
91.52020	1.6
92.52698	1.8
93.01932	2.6
93.53480	2.7
95.53216	5.6
97.02883	1.9
97.52102	6.4
98.97596	19.0
99.53473	2.5
100.02496	13.7
101.00898	17.5
101.02603	2.0
102.02363	3.3
104.52657	2.0
106.00285	1.9
109.32613	1.5
110.52892	4.3
111.02074	5.6
111.02937	5.2
111.51736	1.7
113.00903	4.5
115.02440	2.3
116.03471	6.5
116.98626	5.6
118.03542	4.2
119.01957	15.3
119.53394	13.2
119.97344	3.9
121.01620	2.0
124.02477	8.8
128.49512	2.5
128.97847	2.9
131.01933	10.2
131.02800	2.2
131.53261	1.6
134.04512	2.3
137.98372	2.5
142.03526	18.8
143.01878	2.9
144.98106	2.0
147.43341	1.5
154.03505	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	134.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14720	1.5
55.01877	4.0
55.05511	1.8
55.41426	1.6
56.96573	37.4
57.03437	15.8
59.05006	2.4
59.48273	1.7
60.69466	1.5
61.02913	1.7
69.03432	3.7
70.02953	6.9
70.14873	6.9
70.99876	2.9
71.04993	1.9
71.95280	1.9
72.52995	3.9
73.02922	2.9
74.02451	100.0
77.52180	4.2
78.52967	3.6
79.02148	2.0
81.03446	3.0
81.50797	1.9
82.01456	8.8
83.04964	2.5
84.04494	2.7
84.52958	1.8
84.96040	3.9
85.02907	3.8
85.53754	1.7
86.52722	12.7
87.52564	1.9
88.02750	3.1
88.04004	58.4
88.51577	7.0
90.52969	2.4
91.52020	1.6
92.52698	1.8
93.01932	2.6
93.53480	2.7
95.53216	5.6
97.02883	1.9
97.52102	6.4
98.97596	19.0
99.53473	2.5
100.02496	13.7
101.00898	17.5
101.02603	2.0
102.02363	3.3
104.52657	2.0
106.00285	1.9
109.32613	1.5
110.52892	4.3
111.02074	5.6
111.02937	5.2
111.51736	1.7
113.00903	4.5
115.02440	2.3
116.03471	6.5
116.98626	5.6
118.03542	4.2
119.01957	15.3
119.53394	13.2
119.97344	3.9
121.01620	2.0
124.02477	8.8
128.49512	2.5
128.97847	2.9
131.01933	10.2
131.02800	2.2
131.53261	1.6
134.04512	2.3
137.98372	2.5
142.03526	18.8
143.01878	2.9
144.98106	2.0
147.43341	1.5
154.03505	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.05503	1.9
65.83207	0.5
70.65305	0.8
70.65611	0.8
71.04982	1.2
79.05493	4.7
91.05487	13.6
93.07057	3.9
95.04996	0.7
97.02839	0.6
103.05480	2.3
105.07034	56.9
107.08575	0.8
115.05448	4.8
116.06261	1.1
117.07034	4.5
117.77284	0.5
118.07817	5.6
122.38768	0.6
131.08574	6.4
133.06497	8.4
133.07571	1.6
133.10135	100.0
134.10480	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03938	1.1
55.05514	0.7
64.04391	0.3
70.05749	0.4
70.63788	1.1
71.04994	0.7
77.03930	0.5
79.05497	4.1
91.05483	8.1
93.07050	9.0
95.04947	0.5
101.20123	0.3
103.05472	1.5
105.07036	100.0
105.58849	0.4
106.07382	1.4
115.05461	2.1
117.07030	2.2
118.07809	1.8
120.40131	0.3
131.08582	3.0
133.06528	1.7
133.10136	39.4
134.10498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03940	1.2
55.05503	2.0
70.06603	0.6
70.52614	1.6
79.05502	4.3
91.05492	14.6
93.07035	3.5
95.04933	0.6
98.21391	0.7
103.05473	3.1
105.07039	46.8
107.08615	0.7
115.05470	4.1
116.06223	1.1
117.07022	5.8
118.07815	5.7
131.08574	6.1
133.06566	2.8
133.10139	100.0
134.10487	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02369	0.6
53.03948	5.1
55.01872	4.2
55.05511	0.7
59.05011	0.4
62.19244	0.3
66.76431	0.3
67.05507	0.3
67.60603	0.3
69.03439	1.6
69.07080	0.6
70.06594	0.9
70.76160	0.8
71.01340	0.5
71.04990	3.6
71.92747	0.3
73.02927	0.5
74.02433	0.4
77.03931	0.6
79.05499	12.6
88.02215	0.8
91.05484	5.5
93.07068	0.8
94.04219	0.6
95.04979	1.6
96.99374	0.3
97.02912	0.8
103.05476	9.1
105.03408	0.8
105.07037	96.9
106.06601	0.4
106.07369	0.9
107.04963	0.9
112.02190	0.4
115.03972	0.5
115.05463	5.4
117.07026	0.5
118.07800	0.6
123.07926	0.4
131.04947	1.5
131.08603	0.9
133.06500	100.0
133.10129	10.8
134.06079	0.6
134.06871	1.3
143.06160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
53.52628	0.4
57.03445	0.5
57.24270	0.4
69.64930	1.8
69.65343	0.6
74.64999	0.4
78.23524	0.4
79.08991	0.4
85.02882	0.4
85.08475	0.8
86.09677	0.4
91.05488	58.5
92.05814	0.8
95.04987	0.9
103.05478	22.1
105.04513	0.4
105.07006	0.5
113.07968	2.0
115.05457	5.0
116.06248	17.9
128.06267	0.7
129.06055	0.6
129.07018	11.8
131.04938	3.7
131.08572	100.0
132.08916	1.3
133.06517	0.8
143.06033	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93586	0.7
59.18756	0.6
64.36077	0.7
69.03439	1.0
71.23913	0.6
71.52593	1.1
75.10017	0.6
76.92567	0.6
84.08160	1.4
85.02903	1.4
85.04822	3.5
85.08475	5.4
86.06102	1.0
86.09698	2.5
91.05489	60.1
92.05811	0.6
103.05470	4.2
105.07022	0.8
108.32175	0.6
113.02419	0.9
113.07944	4.7
115.05444	5.1
116.06251	19.9
129.07019	12.8
131.08574	100.0
131.16283	1.3
132.08946	2.2
148.44113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
54.47242	0.6
58.07408	0.8
63.96727	0.8
69.78579	4.4
70.03738	0.8
84.08167	1.4
85.02878	1.2
85.04829	2.5
85.08485	7.4
86.09692	2.6
91.05484	80.7
91.90579	0.7
92.05844	1.1
103.05450	5.0
113.02358	0.8
113.07943	3.7
115.05442	6.3
116.06244	24.0
119.11266	0.8
128.06226	1.2
129.07007	14.1
130.07439	1.2
131.05005	1.6
131.08568	100.0
131.16270	2.3
132.08064	1.0
132.08913	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	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
53.03959	3.2
55.01890	0.3
69.03440	0.3
70.03767	0.4
71.39513	0.6
74.18862	0.3
77.03938	1.1
77.09426	0.3
85.04850	0.5
85.08493	1.0
86.09719	0.6
90.25420	0.3
91.05494	2.7
95.04993	3.2
102.04701	1.2
103.05482	100.0
104.05807	1.3
105.04506	1.6
113.02399	0.5
113.07961	1.9
116.06283	0.6
119.19102	0.3
123.34767	0.3
127.22147	0.3
129.07011	0.4
129.81969	0.3
131.04947	22.6
131.08527	2.5
132.05325	0.3
144.08153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
53.03946	1.5
63.34405	0.4
65.03928	0.6
69.26746	0.5
70.76861	1.0
71.05002	0.5
77.03948	0.7
78.41085	0.4
80.08665	0.4
85.02928	0.8
85.04853	0.6
85.08474	0.8
87.82281	0.4
91.05486	59.8
92.05804	1.0
95.04977	1.3
98.20815	0.4
103.05473	51.0
104.05860	0.7
105.04577	0.9
105.07024	0.5
113.07964	2.9
115.05467	5.3
116.06246	19.7
117.06549	0.5
121.63703	0.4
128.06273	1.1
129.07011	13.0
129.82100	0.4
131.04939	6.7
131.08572	100.0
131.16313	0.5
132.08932	1.7
133.06517	0.8
143.05942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16171	0.6
56.05040	3.5
56.87486	0.7
57.03425	0.9
57.07079	23.4
67.05529	0.7
69.03434	28.0
69.07076	4.2
70.06589	1.7
71.52930	0.7
71.53327	0.6
72.08165	0.8
74.09722	18.4
82.06578	1.8
84.04512	34.7
84.08149	40.9
85.02925	0.6
85.04838	0.7
91.05479	1.2
94.06562	0.8
103.05469	3.3
112.07614	100.0
113.07947	1.2
116.06270	0.6
122.50807	0.5
130.02174	1.7
130.05104	3.9
130.06541	34.4
130.08649	34.9
130.15924	59.9
131.04994	0.9
131.08563	2.1
131.16373	1.0
141.17474	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.5
53.03951	2.9
57.03431	0.7
57.07061	0.4
69.03432	0.6
70.03768	0.9
71.01363	0.3
71.10487	0.7
77.03928	0.8
84.08140	0.5
85.02904	0.6
85.04833	0.7
85.08488	1.9
86.09679	0.6
91.05486	10.3
92.94051	0.3
95.04959	2.8
96.00674	0.2
102.04695	1.0
103.05474	100.0
104.05785	1.5
105.04512	1.7
113.02370	0.8
113.07944	4.6
115.05449	0.9
116.06268	2.6
120.03031	0.3
129.07048	1.8
131.03380	0.6
131.04938	19.0
131.05937	0.6
131.06947	1.0
131.08556	12.7
131.12648	0.3
131.23674	0.3
132.05267	0.4
144.08124	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0912
Annotation	4-Penten-1-yl acetate
Peak:m/z	Relative Intensity
55.01867	2.4
55.05507	6.0
57.03442	3.0
59.05005	45.1
67.05510	14.2
67.83519	1.9
69.03429	10.5
69.07071	100.0
70.91084	3.8
71.04977	2.9
72.08157	2.1
74.74469	2.3
79.05491	7.3
81.07057	1.8
83.04978	4.5
84.04516	7.0
84.08156	8.2
85.06544	7.8
87.04485	3.6
111.08092	4.0
112.07612	20.6
112.11279	2.4
128.06250	4.7
128.95090	2.5
129.01866	29.3
129.05499	4.2
129.07011	3.8
130.05000	2.2
130.06551	4.6
130.08673	9.7
138.56007	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	126.0221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30532	0.4
56.96566	2.3
69.03425	0.7
71.02985	0.5
71.51857	0.5
82.01424	0.8
82.62242	0.4
84.01186	1.5
84.96026	1.3
84.99602	5.1
85.01512	1.5
100.02468	1.2
102.00993	1.2
102.02240	3.8
102.53115	0.4
103.00645	49.4
103.01257	2.1
103.02569	1.8
108.04472	0.6
113.00170	0.5
120.01957	2.5
120.03249	0.8
121.01673	100.0
123.05285	0.6
126.02194	1.1
127.48113	0.4
139.02698	17.5
144.03227	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	126.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.01863	0.8
55.05518	16.4
56.05037	2.9
57.03444	0.8
58.06606	0.7
65.03925	0.4
67.05505	0.9
69.03426	2.2
69.05790	0.4
69.90726	1.8
70.06605	4.9
70.43217	0.3
71.04986	1.7
79.05074	0.5
79.05503	5.6
80.05022	3.9
81.03434	3.1
81.07067	19.6
82.06579	1.7
82.07365	0.4
83.04971	0.5
83.08633	7.7
84.04510	2.0
84.08165	2.3
91.05478	2.2
93.05780	1.7
96.04492	1.8
97.05283	11.0
98.03217	0.4
98.06068	10.3
98.09699	7.1
104.23727	0.4
108.04488	4.1
108.08127	12.8
109.02888	3.6
109.06530	21.6
111.06842	0.8
121.29285	0.4
126.05527	4.8
126.09167	100.0
127.03929	9.9
127.09497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73844	0.9
53.03934	4.3
55.01863	1.0
55.05514	5.4
57.07063	3.6
66.87203	0.9
67.05508	23.1
69.07047	1.9
70.30621	1.0
71.54575	1.5
78.03459	2.0
79.01858	1.9
79.05493	15.7
80.05021	25.3
81.07059	100.0
82.01435	2.8
89.82074	0.9
93.07050	3.1
95.04979	23.7
95.06074	0.9
95.08617	18.6
96.04482	10.7
100.02489	12.3
105.03401	1.2
105.04541	2.2
106.02928	1.2
108.05746	1.8
112.03979	2.1
118.03532	6.0
122.84062	0.9
123.04462	11.0
123.05556	92.8
123.08041	12.6
123.11722	23.4
124.03964	13.5
124.07575	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0963
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
50.07641	1.0
53.03947	2.0
55.01871	2.7
55.05516	14.3
57.07068	1.2
58.27116	1.0
65.03931	2.5
66.72249	1.0
67.05507	2.6
69.03082	1.7
69.03430	19.4
69.07071	10.0
71.01366	1.3
71.09766	1.1
71.10086	1.7
71.99912	1.0
79.05492	16.8
80.05008	1.2
81.07063	7.9
83.04990	13.4
83.08649	2.0
91.05493	11.7
95.08572	1.2
96.67014	1.0
97.02906	12.6
97.06529	8.9
97.10192	2.1
98.20901	1.2
102.02261	1.2
105.07037	4.9
107.08601	29.1
109.06525	2.1
125.02355	4.3
125.04335	2.4
125.05994	5.7
125.07088	2.3
125.09637	100.0
126.05563	1.9
126.09972	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	16.7
57.07079	5.7
67.05511	1.2
68.05022	0.9
69.07072	100.0
69.22241	2.0
69.22665	3.6
70.07410	1.0
82.06599	0.9
83.06113	9.5
83.08621	21.0
84.04496	0.9
84.05650	1.0
84.06455	0.9
84.08137	0.9
97.07647	0.8
108.04523	0.8
108.08133	0.8
117.67004	0.5
125.06097	0.8
125.07140	2.4
125.08294	6.0
125.09091	14.2
125.10778	1.8
125.11616	1.5
126.05540	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
55.01865	1.3
55.05506	5.5
57.07082	5.7
65.03932	1.5
67.05505	25.4
69.07059	2.6
71.54624	1.1
77.03892	1.4
78.03467	1.1
79.05492	17.5
80.04578	1.1
80.05022	15.8
81.03400	2.5
81.07056	100.0
82.01456	4.2
91.05456	2.4
93.07044	6.5
95.04969	31.2
95.08608	29.9
96.04478	6.0
99.02908	0.8
100.02489	9.9
105.04507	1.9
105.07021	6.7
107.04945	1.2
108.05730	8.8
118.03483	3.0
121.06483	1.7
121.10161	1.4
123.04440	14.2
123.05548	54.2
123.08063	45.0
123.11705	36.0
124.03957	8.0
124.07560	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
51.02375	1.0
53.03949	5.5
53.37846	0.8
54.43053	0.9
55.01873	1.2
55.05499	4.1
57.07078	7.5
63.58792	0.9
65.03918	1.5
67.05506	17.4
69.02853	0.9
69.07055	2.9
71.54584	1.4
73.98538	0.9
76.39117	0.9
77.03909	1.8
78.03447	1.4
79.05498	14.2
80.04570	1.2
80.05015	12.8
81.03448	1.4
81.07056	100.0
82.01433	2.3
93.07047	1.3
95.04971	19.5
95.08601	17.4
96.04478	4.7
100.02486	8.5
102.74281	1.0
105.03378	1.9
105.04497	1.4
105.06993	1.1
108.05770	1.5
109.43114	0.9
112.03984	1.0
118.03525	3.2
121.10160	2.3
123.04441	26.8
123.05552	43.7
123.08040	10.7
123.11709	41.7
124.03960	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	123.1172
Annotation	Santene
Peak:m/z	Relative Intensity
53.03949	1.6
55.05522	3.2
57.07080	6.8
67.05515	11.4
67.05840	1.0
69.07073	2.6
69.16912	1.2
69.17314	5.6
70.30907	0.6
79.05511	11.6
80.05028	2.0
81.07069	100.0
82.07431	0.8
93.07072	1.7
94.07837	0.8
95.04992	1.6
95.08620	16.6
96.04480	0.7
97.68370	0.8
121.10153	2.2
123.04619	1.0
123.05561	6.0
123.11727	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	123.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
53.69647	0.5
54.59985	0.5
54.61907	0.5
54.71640	0.5
55.05514	3.7
57.07082	7.0
58.56421	0.6
59.18193	0.6
63.42882	0.6
65.03960	1.2
67.05516	19.7
67.05879	0.9
69.07082	2.2
71.53860	0.9
78.03447	0.7
79.05502	14.8
80.05031	14.4
81.07068	100.0
82.01470	2.9
82.07399	0.8
93.07053	1.9
94.07859	1.0
95.04986	20.5
95.08624	18.6
96.04512	5.1
99.68155	0.6
100.02501	9.0
105.03425	0.8
105.04520	1.7
105.07050	2.4
106.02899	0.9
108.05762	2.8
112.03957	0.8
118.03563	5.1
121.10168	1.7
122.48803	0.7
123.04482	10.6
123.05581	55.1
123.08085	21.2
123.11724	34.4
124.03963	7.9
124.05917	0.6
124.07599	1.5
134.09239	0.6
140.03510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
52.51705	0.5
53.03940	0.9
55.05508	3.0
57.07083	6.3
65.03943	0.7
67.05176	0.9
67.05510	10.7
69.07079	3.3
70.77087	1.1
78.88699	0.6
79.05506	10.4
80.05031	1.8
81.07064	100.0
82.07384	0.5
93.07059	1.2
93.24655	0.6
94.07838	0.8
95.04980	1.6
95.08614	13.9
96.04495	0.6
100.02486	1.1
100.73924	0.6
108.09387	1.0
121.10159	1.7
123.04681	0.9
123.05583	7.5
123.11721	35.7
124.03950	0.7
124.12045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0808
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03951	8.7
55.01884	5.6
55.05515	12.1
57.07072	4.4
65.03941	3.4
67.05509	56.8
69.03421	1.1
69.07059	2.8
69.78066	2.9
69.78476	1.2
77.03933	1.6
78.03452	2.1
79.05495	21.0
80.04577	1.3
80.05022	21.8
80.06291	1.0
81.03416	5.9
81.07061	100.0
82.01446	4.5
91.05489	2.6
92.39304	0.9
93.07055	10.4
93.21706	0.8
95.04977	54.6
95.08611	50.8
96.04499	7.5
100.01865	1.0
100.02493	14.1
103.05462	1.1
105.04506	4.0
105.07041	7.5
106.02896	1.7
106.06590	0.8
107.04996	2.2
108.05034	0.7
108.05736	13.4
112.03964	1.2
118.03539	7.5
121.06481	1.5
121.10131	1.1
123.00999	0.9
123.04447	24.5
123.05556	73.9
123.08071	68.9
123.08901	1.3
123.11706	28.0
124.03966	11.3
124.05891	0.8
124.07621	1.6
140.03412	1.1
141.41803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99866	1.3
59.08458	1.0
61.05713	0.8
70.93392	1.6
70.93726	1.6
75.39417	0.8
82.01449	57.4
82.99810	1.3
98.02675	0.8
98.56281	0.8
100.02487	100.0
101.00875	9.3
101.02578	1.7
118.03529	25.2
119.01933	18.5
123.04029	1.0
137.01613	0.7
137.02917	3.1
142.03473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69664	0.8
56.96560	2.6
57.54905	1.0
58.99849	1.4
77.13675	0.9
79.57050	0.9
81.50700	0.9
82.01449	56.2
89.48897	0.9
98.01299	1.0
100.02491	100.0
101.00871	6.0
101.02528	1.6
111.97662	1.0
118.03528	27.7
119.01938	9.2
123.04054	1.8
123.05550	2.2
131.02046	1.0
137.02966	2.0
138.90250	1.0
142.03476	1.2
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
55.76163	0.6
58.99850	0.7
64.63428	0.7
69.97985	3.4
82.01449	54.8
82.31188	0.7
82.99854	1.1
98.21430	1.0
98.27541	0.7
100.02490	100.0
101.00894	9.4
101.02586	1.2
117.31268	0.7
118.03527	24.8
119.01920	14.1
119.02718	1.1
123.04081	1.2
131.29587	0.9
137.02992	2.7
142.03474	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03947	8.2
55.05508	7.6
63.57459	0.9
67.05495	1.9
69.26778	1.7
69.27180	6.9
75.13501	1.1
79.05496	28.7
79.95063	0.9
80.35635	1.1
81.07053	3.9
87.54952	0.8
91.05485	30.8
91.28099	0.9
93.07047	100.0
95.04982	9.1
98.20706	2.2
102.47397	1.0
103.05450	7.3
105.04514	3.5
105.07038	28.3
105.07766	1.4
106.07783	3.7
119.01807	1.1
119.08581	5.2
121.04013	1.2
121.06510	4.9
121.07626	1.1
121.10146	35.0
122.07226	1.0
122.09659	4.1
123.08065	2.7
133.07629	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03938	18.5
55.05520	7.1
65.03895	4.5
71.53133	4.8
79.05497	31.8
81.04536	14.5
81.07067	5.3
91.05486	41.3
93.04531	20.8
93.07050	100.0
95.04958	10.7
103.05468	21.1
105.04529	4.6
105.07043	47.5
119.08608	10.7
121.04009	25.2
121.05054	5.9
121.06488	49.1
121.07347	5.7
121.07619	5.1
121.10156	40.2
122.06090	4.7
122.07143	18.6
122.09686	23.6
123.08067	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03959	6.6
55.05514	6.7
56.79859	1.4
60.10384	1.2
71.32649	2.2
78.05031	1.4
79.05067	2.0
79.05494	21.0
81.07039	3.8
88.41654	1.5
90.02210	1.2
91.05486	30.9
91.63474	1.5
93.07047	100.0
94.07368	1.8
94.56236	1.4
94.62225	1.2
95.04963	5.1
103.05473	4.1
105.04513	1.8
105.07030	22.7
106.07826	1.5
119.08580	4.2
121.10151	31.6
123.08033	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.78251	0.7
52.21672	0.7
53.03957	7.7
55.05521	5.6
66.13653	0.7
67.05506	1.8
69.51328	5.9
77.03934	2.0
79.05499	24.3
81.03440	0.9
81.07053	5.0
91.05488	32.7
93.07049	100.0
93.30710	0.9
95.04986	6.2
103.05462	4.5
105.04523	2.4
105.07040	26.0
106.07832	2.2
108.23013	0.8
119.08601	3.4
121.02888	0.9
121.10156	33.3
123.08066	1.6
133.07660	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	121.065
Annotation	3-Methylbenzaldehyde
Peak:m/z	Relative Intensity
50.16557	0.4
51.02382	0.9
52.71070	0.4
53.03720	0.5
53.03951	5.9
55.01859	0.8
60.78226	0.5
60.91911	0.5
63.00011	0.4
65.03938	1.5
67.49483	0.5
69.28251	2.7
69.28674	1.4
77.03928	1.9
78.04713	6.6
79.05499	0.7
80.53069	0.4
81.03395	0.7
87.99646	0.4
89.91748	0.4
91.05489	15.2
93.07037	3.0
95.04974	4.1
103.05498	1.0
104.83438	0.5
105.04511	2.6
105.07037	0.8
106.04176	2.1
110.81424	0.4
121.06512	100.0
122.06841	0.9
123.45962	0.4
134.69606	0.5
138.44955	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03942	1.6
63.14709	0.9
65.03934	1.7
70.34031	0.9
70.34375	2.4
75.29323	0.7
79.05494	5.5
91.05488	84.1
92.24094	0.7
93.07054	5.5
103.05468	9.9
104.06262	8.2
105.04536	0.8
109.06528	1.3
115.05507	4.5
117.07025	42.7
119.08588	100.0
120.08848	0.8
134.21466	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56956	1.2
57.07076	46.4
65.03938	5.2
69.42844	9.4
79.05495	4.3
89.56605	1.4
90.42026	1.3
91.05483	100.0
92.44337	1.5
93.07059	3.4
102.48367	1.3
103.05480	7.6
104.06236	5.3
105.04567	1.5
115.05443	1.8
117.07023	13.8
119.04947	17.6
119.06033	4.0
119.06856	3.7
119.08582	63.5
120.08130	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0448
Annotation	4-Hydroxybenzonitrile
Peak:m/z	Relative Intensity
53.03952	0.3
53.42899	0.3
56.05051	1.3
56.96569	0.4
59.14841	0.3
65.03946	30.4
68.26345	0.3
69.21316	2.0
69.21740	0.8
74.06089	2.7
76.89297	0.3
78.93124	0.5
79.05487	0.5
88.48196	0.3
89.58974	0.3
90.63142	0.3
91.05483	2.0
92.05012	100.0
92.05814	2.7
93.05347	1.1
93.07064	1.2
95.04961	0.3
96.94155	0.4
96.96741	0.3
98.21473	0.6
102.05577	0.5
103.05492	1.9
105.07051	0.5
106.68061	0.3
106.81104	0.3
110.06042	2.6
120.04476	78.3
120.05484	3.7
120.08121	4.4
120.08939	1.3
121.02880	0.6
121.04022	0.5
121.04823	0.7
121.06526	0.9
121.10142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
63.79732	0.5
65.03609	1.0
65.03944	13.6
65.04288	0.9
69.68080	3.2
70.61670	0.7
71.94817	0.5
75.14902	0.5
75.46212	0.5
91.05485	100.0
119.04946	48.1
119.08562	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	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.56110	0.6
52.40937	0.6
53.03936	2.1
54.04247	0.7
54.24515	0.6
65.03941	2.3
71.03376	1.3
73.08482	0.8
78.04712	0.9
79.05499	4.3
91.05489	78.3
93.07047	5.4
95.04981	1.5
103.05473	9.4
104.06253	7.8
109.06493	0.8
115.05463	5.0
117.07026	33.4
117.52579	0.7
119.06088	3.1
119.08588	100.0
120.08938	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.85265	0.6
53.03940	1.4
55.66934	0.5
62.34068	0.5
65.03942	3.2
69.62276	1.5
69.62685	1.6
74.06065	0.6
79.05514	4.5
88.13205	0.5
91.05488	71.9
93.07076	3.4
95.04993	0.9
98.20715	0.6
103.05472	6.7
104.06256	7.5
105.04488	0.6
109.06533	0.8
115.05455	3.4
117.07024	16.8
119.04984	3.3
119.06064	2.3
119.08588	100.0
120.08155	0.7
120.08926	1.1
120.30325	0.7
131.06038	0.7
132.34171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	14.7
70.91618	1.1
75.02422	0.5
78.63778	0.5
81.01330	0.5
87.10133	0.5
91.05487	100.0
92.05826	1.2
92.44827	0.5
96.05334	0.5
112.94743	0.4
117.07024	1.8
118.60635	0.5
119.04949	50.7
119.08568	6.9
120.05365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
65.03945	11.4
65.05810	0.5
65.50866	0.5
70.85061	1.4
72.31057	0.5
77.86101	0.6
79.05470	0.7
81.00204	0.6
91.05483	100.0
92.05806	0.7
93.04678	0.5
95.05011	0.6
95.19857	0.6
103.05480	0.7
117.07027	2.3
119.04944	48.3
119.08578	10.4
119.18399	0.6
120.05321	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02390	3.3
53.03947	41.7
55.05527	1.7
56.81083	1.7
59.07366	2.2
72.08145	10.7
77.03928	6.2
79.23831	1.5
80.87025	1.8
81.03429	3.9
87.61395	1.7
95.04973	40.3
105.04517	20.5
106.61186	1.9
114.89117	1.7
118.06552	100.0
118.08636	12.0
119.08578	3.5
119.75735	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02382	2.7
53.03714	3.6
53.03951	47.5
55.01870	2.4
58.06594	3.6
59.07381	3.1
69.74245	2.9
69.74648	7.0
72.08151	11.1
77.03926	8.7
81.03424	5.8
94.26283	1.8
95.04968	46.8
105.04523	27.0
118.06551	100.0
118.08655	15.1
119.08605	2.7
128.89781	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0867
Annotation	L-Valine
Peak:m/z	Relative Intensity
52.62273	0.2
53.03951	0.4
53.64432	0.2
54.34260	0.2
55.01882	0.3
55.05515	16.1
56.05047	0.8
56.96568	3.2
57.05822	0.8
58.06606	6.3
58.99853	0.2
59.05010	0.3
59.07385	5.0
64.02216	0.2
65.03954	0.4
67.05528	0.5
68.05028	0.3
69.03433	4.4
69.07062	0.4
69.77306	0.2
70.04757	0.5
70.05157	0.3
70.06600	0.6
71.02992	0.5
72.08160	100.0
73.08501	0.7
74.51862	0.8
76.93379	0.2
78.52979	0.4
82.01453	3.9
82.01923	0.2
82.06605	0.3
83.01500	0.3
83.52374	2.5
84.01173	0.3
84.01614	0.3
84.03009	0.3
84.08138	1.6
85.53736	0.4
90.03795	0.5
91.05488	1.1
92.52841	0.7
93.04306	0.2
94.06572	0.7
94.51569	0.6
94.53362	0.3
94.54269	2.0
95.00806	0.3
95.03149	0.3
95.04363	0.8
95.04989	0.7
95.52372	0.3
95.54141	0.3
97.04556	0.7
97.99232	0.3
98.97611	0.3
100.02492	9.2
101.02591	0.9
101.83477	0.2
102.02254	0.6
102.04041	0.3
103.52108	1.0
103.54765	1.1
104.01302	0.6
104.03712	0.2
104.04848	0.3
104.52895	0.7
106.05052	9.0
106.55139	2.3
107.04895	1.0
111.06850	0.5
112.07618	8.9
112.52634	0.3
113.07977	0.5
113.88732	0.2
115.05568	1.9
115.55667	0.3
117.55858	0.6
118.03526	3.3
118.08662	25.2
119.01917	0.3
119.04941	0.5
123.04065	0.2
133.03465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.23445	0.5
53.03930	1.6
55.05515	3.2
56.96563	1.7
58.06606	2.7
59.05000	1.0
59.07380	1.4
59.45189	0.5
59.93085	0.6
65.03941	0.7
67.05498	0.6
69.17682	5.1
72.08160	17.8
76.03627	0.6
76.66010	0.6
76.93372	7.8
91.05486	31.7
94.94418	3.8
95.04987	1.4
100.07648	0.8
104.03152	0.8
105.04494	0.7
117.05772	2.8
117.95983	1.9
118.06548	100.0
118.08643	8.2
119.04940	2.0
119.08545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02372	4.0
53.03949	46.9
55.01881	2.0
55.05503	6.0
58.06600	6.2
59.05009	2.0
59.07371	5.7
70.64581	2.3
70.64915	3.4
72.08158	28.0
75.94724	1.4
77.03925	8.2
79.05534	2.1
81.03426	3.1
87.04457	1.4
91.05484	23.9
92.05812	1.4
93.07026	2.0
95.04971	37.5
100.07659	2.1
100.11271	2.7
103.05477	2.3
105.04520	24.0
107.43956	1.8
115.05408	1.8
116.05809	3.2
117.07001	7.7
117.51878	1.4
118.06554	100.0
118.07301	5.0
118.08643	24.5
118.12308	3.6
119.08577	25.1
120.09633	1.8
126.30361	1.4
135.94916	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0758
Annotation	cis-3-Hexenoic acid
Peak:m/z	Relative Intensity
53.03947	1.8
55.01881	5.2
55.05516	6.5
57.03446	11.7
59.05005	2.3
59.49261	0.5
60.47268	0.6
63.18460	0.5
67.01836	0.5
67.05512	6.1
69.03434	2.1
69.07075	100.0
69.66528	2.8
70.06593	1.8
70.07418	0.7
71.05006	2.1
73.06566	17.0
73.06982	0.9
74.93833	0.9
79.05503	16.9
80.05827	0.7
87.04475	2.3
95.04991	0.8
97.02892	0.6
97.06544	58.9
98.06914	0.8
105.04522	0.6
114.30614	0.5
115.03942	3.1
115.07577	8.3
115.09520	1.9
115.15932	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0964
Annotation	4-Hepten-2-one
Peak:m/z	Relative Intensity
53.03946	1.2
55.01870	0.7
55.05513	8.9
57.03435	4.0
57.07074	2.0
58.02974	0.5
65.03946	1.9
67.01876	1.4
67.05508	53.6
69.03451	1.1
69.07072	66.7
70.02964	2.2
70.06586	1.0
70.07430	0.5
71.01358	0.6
71.05000	11.1
71.52392	0.8
71.94104	3.2
72.93790	16.1
79.05495	0.6
80.06231	0.5
81.03432	0.7
83.04977	1.2
85.02879	1.1
85.06541	1.2
85.10174	0.4
86.06095	0.5
88.53204	0.4
89.00246	0.8
89.50338	1.1
90.00130	4.6
90.94834	4.3
91.05497	0.8
93.06483	0.9
93.07047	10.9
95.01350	1.1
95.04984	4.1
95.08612	100.0
96.00864	1.9
96.04504	1.4
96.08148	0.6
96.08920	0.9
98.00773	1.1
98.50826	0.9
99.00669	3.5
101.50941	0.6
113.02374	41.8
113.03482	4.1
113.06015	6.5
113.07147	0.9
113.07928	0.9
113.09640	4.2
113.10775	0.5
113.96394	1.2
114.05532	1.0
114.09151	1.8
117.95950	0.9
119.95713	1.1
124.42297	0.4
128.51805	0.4
131.97404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	2,3-DIMETHYL-1,4-HEXADIENE
Peak:m/z	Relative Intensity
53.00301	0.6
53.03949	0.8
55.05515	31.7
57.07082	1.4
58.06598	1.3
67.05521	1.7
69.07070	100.0
70.06589	1.6
70.07410	0.6
70.65358	0.3
71.01495	0.7
83.06110	1.0
83.08608	0.6
88.00497	0.5
93.07138	0.3
94.06612	0.4
99.51289	0.4
104.26533	0.3
111.04449	0.4
111.05588	2.4
111.06355	0.6
111.08105	0.6
111.08416	0.3
111.09206	5.0
111.09902	0.4
111.11715	1.3
112.08735	0.7
112.11294	0.4
112.57062	0.3
120.03449	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03953	2.0
55.05513	8.3
58.54254	0.7
65.03960	3.4
67.05508	100.0
69.07073	6.2
69.79694	2.8
77.50120	0.9
79.05492	6.6
80.06278	0.8
80.69476	0.6
81.03419	2.0
81.07057	29.3
86.00724	2.2
86.50635	4.9
87.00481	2.8
90.35511	0.8
91.05471	1.1
94.07805	1.3
98.01429	1.1
107.08626	4.0
109.06519	1.6
109.10163	64.4
110.06042	1.4
112.96732	1.2
113.96390	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03954	2.1
55.05518	8.5
61.39065	1.0
62.68607	1.0
65.03930	2.6
67.05509	100.0
67.10014	0.9
67.93714	1.0
69.07064	4.1
69.32573	4.2
69.33000	6.0
79.05495	7.1
81.03384	1.6
81.07058	28.3
86.07979	1.1
86.50612	3.3
87.00475	2.2
94.07838	1.2
107.08606	4.1
109.07642	2.1
109.10164	59.5
112.96743	1.4
113.96381	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03949	3.5
55.05514	8.1
58.58694	0.8
64.20204	0.7
65.03939	3.8
65.99345	0.8
67.05506	100.0
67.42773	0.7
69.07067	5.4
71.42452	1.3
74.99818	1.7
77.00199	1.6
77.50121	2.0
77.99947	2.1
79.05489	7.6
80.06281	1.5
81.03420	6.9
81.07056	29.8
82.32389	0.7
86.00701	3.4
86.50632	7.9
87.00471	8.8
89.50732	1.3
91.05466	1.8
92.69776	0.7
94.04238	0.9
94.07822	1.8
98.01421	1.9
98.51239	1.0
107.08594	3.0
109.02874	1.3
109.06506	3.6
109.07649	2.7
109.10158	62.0
110.06042	3.0
112.96728	2.0
113.96392	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	109.0653
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.91613	0.6
52.12017	0.6
53.03955	8.6
55.01883	4.4
55.05515	2.8
57.21484	0.6
58.78673	0.6
61.13504	0.5
65.03945	3.7
65.99310	0.7
67.05509	36.8
69.07060	1.8
70.11156	1.5
70.11550	1.3
72.93764	0.6
74.99837	1.6
77.00166	2.0
77.50101	1.8
77.99935	1.4
79.05498	29.4
81.03424	17.3
81.07061	38.3
81.85638	0.6
84.00346	0.8
86.00710	7.4
86.50615	5.7
87.00474	13.3
91.05490	7.7
94.04170	3.4
95.04955	0.8
96.00983	1.9
97.51495	1.1
98.51231	0.8
100.03091	0.6
107.04978	1.3
107.08612	1.4
109.02905	4.4
109.06525	100.0
109.08501	1.7
109.10163	23.9
110.06046	2.3
110.06770	0.8
111.96882	2.6
112.96711	2.2
113.96407	4.2
127.73441	0.7
129.97887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	o-Cresol
Peak:m/z	Relative Intensity
50.66181	0.7
50.85727	0.7
51.02372	0.8
53.03710	0.9
53.03953	14.0
55.01883	4.6
55.05513	6.0
55.05743	1.1
65.03945	4.4
65.83214	0.8
67.05510	74.0
67.32905	0.6
69.07067	4.1
70.87572	1.6
74.99844	1.9
77.50073	1.2
77.99939	2.7
79.05499	30.8
81.03422	25.8
81.07064	52.1
86.00706	10.1
86.50637	6.4
87.00476	12.9
91.05496	10.6
94.04206	3.2
94.07799	0.9
95.01282	0.7
95.04996	0.9
96.00978	1.3
98.51293	0.8
99.89521	0.6
107.04971	0.9
107.08607	2.4
109.02893	4.8
109.06526	100.0
109.07716	2.5
109.10165	44.9
110.06046	2.2
111.96885	2.6
112.96733	2.1
113.96407	4.6
125.08168	0.8
129.97873	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03947	1.7
54.59149	0.5
55.00663	0.6
55.57120	0.6
62.99080	2.6
65.03943	11.7
67.05514	2.7
69.83270	3.2
76.16480	0.5
79.05497	17.6
91.05480	100.0
92.06268	2.7
94.97586	0.5
95.04960	2.0
103.18886	0.7
105.04552	1.0
105.07030	36.5
106.04160	1.7
107.04950	14.4
107.08590	60.5
109.06519	13.8
119.06075	11.1
122.09503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
50.22036	0.6
51.02373	0.8
53.03746	0.7
53.03949	6.4
55.01869	3.8
55.05510	2.0
65.03941	2.2
66.04723	1.0
67.05510	18.8
69.07069	1.0
69.62791	3.0
72.26058	0.5
74.09727	0.9
74.99837	1.9
77.00193	0.6
77.50100	1.0
77.99952	0.8
79.05498	28.9
81.03429	10.9
81.07059	32.9
86.00706	2.5
86.50620	6.4
87.00473	3.1
88.82893	0.7
91.05486	8.7
94.04183	2.0
94.56306	0.6
95.01212	0.7
107.04979	1.0
107.08583	0.8
107.90080	0.6
109.02894	2.6
109.06525	100.0
109.10162	12.8
111.96886	0.8
112.96717	1.6
113.96408	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.60313	0.9
53.03935	2.6
55.01867	0.9
58.79735	0.8
59.63648	1.0
62.99065	3.1
65.03942	12.9
67.05498	2.1
69.20173	8.9
72.95127	0.9
79.05494	21.3
91.05482	100.0
92.06255	1.6
95.04973	2.6
105.07035	37.8
106.04156	1.7
107.04961	19.3
107.08593	52.1
108.08110	1.0
109.06519	14.0
114.28036	0.9
119.06074	13.1
124.05162	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01867	1.3
60.42204	0.5
62.99081	2.1
65.03944	11.4
67.05509	3.6
76.19203	0.5
79.05502	15.8
79.13523	0.5
89.42005	0.5
91.05492	100.0
92.06271	2.7
95.04986	1.8
95.15816	0.5
98.21550	1.1
105.04517	0.8
105.07045	34.2
105.67712	0.5
106.04190	1.3
107.04963	11.1
107.08606	53.4
108.08125	0.7
108.08865	0.9
109.06522	14.3
119.06081	13.8
124.05220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02376	1.1
53.03947	8.9
55.01863	2.5
62.99084	6.0
65.03936	12.2
67.05508	7.2
68.31764	0.9
71.11943	2.4
77.03922	2.2
79.05497	95.4
82.24611	0.8
91.05486	100.0
92.06258	3.4
95.04974	9.1
97.06330	0.8
103.05494	1.0
105.01802	0.9
105.04545	5.1
105.06301	1.5
105.07033	30.2
105.92405	1.0
106.04185	1.0
107.04964	54.1
107.08598	45.4
108.08118	3.4
109.06515	10.3
109.36053	0.9
116.55110	0.9
119.06070	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02369	1.2
53.03714	0.6
53.03948	8.3
55.01860	0.4
69.16166	4.4
77.03916	3.0
78.79012	0.4
79.05495	34.8
81.03407	0.8
90.76862	0.4
95.04964	7.5
103.05466	26.8
105.04544	4.8
105.07032	100.0
105.11063	0.9
106.07406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
53.03951	8.5
70.87320	1.1
70.87640	0.7
77.03929	1.9
78.26727	0.7
79.05499	30.5
83.51364	0.7
95.04967	7.5
103.05471	21.4
103.06157	1.2
105.04568	3.7
105.07035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Choline
Peak:m/z	Relative Intensity
58.06602	3.5
58.16513	0.2
59.07376	1.3
60.08166	33.9
60.80053	0.2
70.93767	0.4
77.00042	0.2
85.67495	0.2
86.35723	0.2
90.89824	0.2
98.89822	0.2
104.10746	100.0
105.11050	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.5
51.02383	1.7
53.03714	0.6
53.03951	9.6
55.01871	0.4
60.04522	0.8
60.08175	0.4
61.02922	0.8
61.08498	0.6
69.03448	0.5
71.12953	0.5
71.13294	0.6
77.03939	2.0
77.93424	0.3
79.05499	37.8
81.03415	0.9
82.47689	0.4
91.48173	0.8
95.04976	8.3
103.05476	28.3
104.90839	0.5
105.03393	1.2
105.04529	6.4
105.07037	100.0
105.11095	2.7
106.07355	0.7
122.38959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02370	1.1
53.03755	0.7
53.03957	8.0
56.35711	0.6
59.28185	0.6
59.58983	0.6
70.02560	2.6
75.84125	0.6
77.03925	2.3
79.05498	34.5
81.03431	1.1
95.04996	6.7
103.05472	22.6
105.04562	4.1
105.07037	100.0
114.87959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.594
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74024	0.9
71.01340	1.1
71.04999	6.7
73.02903	2.1
77.03902	2.6
79.05494	76.1
80.05791	1.2
81.03420	18.9
81.07057	100.0
83.04987	16.9
83.08155	1.2
83.08621	22.8
85.02905	10.0
85.06544	4.6
91.03952	3.2
91.05481	64.2
92.05796	1.1
93.07045	75.1
94.07343	1.2
95.04369	1.6
95.04967	20.3
95.08611	45.7
97.02898	9.0
97.06533	20.0
97.10171	16.9
98.20723	0.9
99.04446	2.1
99.08080	3.8
101.06062	1.1
103.05450	3.8
105.04499	2.5
105.07034	60.3
107.04296	1.3
107.04956	15.5
107.08599	52.0
109.02882	3.2
109.06522	8.1
109.10150	19.6
111.04440	2.5
111.08070	9.4
115.05413	3.7
116.06209	1.4
117.07021	26.5
119.08580	38.6
121.06508	7.7
121.09332	1.5
121.10154	22.3
123.04411	1.6
123.08070	5.8
123.11697	6.7
125.09624	13.2
127.03922	6.1
127.07536	1.4
128.06187	4.5
129.05489	1.2
129.06993	10.8
130.07774	2.1
131.08571	32.5
133.06468	3.1
133.09113	1.8
133.10132	34.9
135.08057	8.5
135.11694	20.7
137.09625	5.2
137.13295	1.5
139.11179	1.7
141.06973	4.7
142.07758	1.9
143.08574	9.5
144.09349	1.9
145.04958	1.8
145.06473	2.5
145.10124	23.9
147.08043	3.7
147.11690	19.9
149.09616	21.6
149.13260	16.8
151.11154	4.1
153.06995	1.1
153.09081	1.4
154.07782	1.9
155.08588	5.5
156.09346	1.6
157.10136	9.3
157.38301	0.9
159.08012	2.3
159.10454	1.7
159.11687	22.7
161.09621	4.3
161.13266	8.4
163.11200	14.0
163.14809	1.3
165.12772	2.2
167.08620	1.5
169.10100	5.7
171.10356	1.4
171.11647	7.1
173.04451	2.7
173.09637	2.2
173.13246	8.9
175.11176	3.6
175.14828	1.3
177.12770	5.3
179.14314	3.2
181.10143	2.2
181.12253	1.7
183.11720	7.1
185.09528	1.2
185.13239	3.7
187.11198	3.2
187.14807	2.6
189.09694	1.1
189.11200	7.0
189.12720	2.1
191.14310	1.3
193.12242	2.4
195.11711	3.7
195.13765	6.6
197.13301	4.8
199.14838	2.2
201.12732	2.1
203.14330	1.5
205.12207	1.5
209.13350	1.6
211.13153	1.3
211.14908	1.3
213.14767	1.4
215.17935	1.2
217.15828	1.5
219.13753	1.2
223.14973	1.4
227.12753	16.6
229.14307	3.1
229.19519	3.0
233.15405	1.2
239.17975	5.3
245.13853	1.4
247.20667	4.2
251.16345	1.5
253.14268	1.5
253.17973	1.1
255.15858	12.7
257.19006	11.8
259.20560	1.5
267.15735	5.5
269.17480	44.2
273.18518	1.2
275.20078	51.0
283.20410	1.0
291.19540	1.5
293.18027	1.1
293.21149	4.9
299.20129	1.4
301.21503	1.6
303.15820	1.8
307.20407	1.0
321.16882	1.2
321.24167	1.6
331.22726	4.6
337.36627	0.9
349.23743	52.3
355.22302	1.1
367.24744	10.0
373.23605	1.1
409.26059	1.4
413.21790	1.7
423.27197	4.9
431.27737	1.4
433.30695	1.8
435.27283	3.1
439.26819	4.1
445.29819	4.3
447.31104	1.7
449.29001	22.5
451.32281	1.7
461.29114	1.2
463.30548	31.0
469.33035	1.5
485.32303	1.6
503.33405	3.1
515.37317	2.3
519.33270	2.1
525.35706	7.4
527.36993	1.3
529.35339	15.6
543.36847	73.3
544.36877	1.3
547.36267	2.6
561.37811	11.5
565.29675	1.3
593.32880	1.4
605.41541	1.1
607.35260	6.0
623.43091	19.4
641.44043	12.5
659.44690	3.3
669.40808	1.9
687.41205	5.7
705.41333	2.0
785.48352	2.5
803.04987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.595
Annotation	Unknow
Peak:m/z	Relative Intensity
70.42028	2.7
71.01358	1.9
71.04991	6.4
73.02924	1.9
77.03934	1.8
79.05495	84.7
81.03421	22.2
81.03864	1.8
81.07057	100.0
83.04985	17.0
83.08145	1.5
83.08621	23.3
85.02908	11.6
85.06551	5.4
87.04457	1.5
88.78334	0.9
91.03958	3.3
91.05483	74.2
91.19340	0.9
92.92695	0.9
93.07047	80.1
94.07425	0.9
95.04968	16.7
95.08609	47.1
96.08929	1.1
97.02890	10.3
97.06532	24.3
97.10169	23.1
98.21539	1.3
99.04448	3.0
99.08102	4.7
103.03932	1.1
103.05459	3.4
105.04505	3.2
105.07033	64.8
107.04957	18.3
107.08598	63.9
107.09166	1.0
109.02888	4.5
109.06516	11.2
109.10161	22.3
111.04435	2.8
111.08080	9.0
113.05967	1.6
113.09672	2.2
115.05442	3.8
116.06217	1.1
117.07017	29.1
118.07854	0.9
119.04945	1.2
119.08587	47.6
121.06515	8.1
121.10149	25.5
123.04472	1.3
123.08096	5.4
123.11687	5.8
125.09636	18.1
127.03922	6.3
128.06236	3.8
129.05487	2.3
129.07007	12.6
130.07826	3.0
131.04941	1.2
131.08566	35.3
133.06497	3.5
133.10138	38.5
135.08046	9.1
135.11696	22.7
137.05991	1.5
137.09622	4.5
139.11139	1.8
141.06981	7.0
141.09100	1.0
142.07802	2.4
143.08578	11.6
144.09375	1.8
145.04991	2.5
145.06488	2.4
145.10127	30.3
147.08073	4.3
147.11684	20.8
149.05942	0.9
149.09624	23.7
149.10759	1.7
149.12172	1.7
149.13272	13.6
151.11172	3.8
153.09122	1.8
153.12766	1.6
155.08568	7.2
155.10628	0.9
157.06494	1.2
157.10136	10.2
158.07268	1.0
158.10622	0.9
159.08109	2.4
159.11697	25.5
161.09610	5.0
161.13272	9.6
163.11195	13.5
165.09024	1.0
165.12793	2.6
167.08571	2.2
168.09381	1.5
169.10130	7.9
171.10208	1.6
171.11699	9.4
173.04510	5.1
173.09581	2.1
173.11844	1.4
173.13249	13.0
173.92058	0.8
175.11183	5.0
175.14865	1.9
177.12741	8.0
179.08493	1.2
179.14307	6.6
181.10133	2.2
181.12221	2.4
182.10748	0.8
183.11696	8.9
185.09686	1.2
185.13257	5.3
187.11227	4.5
187.14845	3.5
187.90961	1.0
189.11252	11.7
189.12784	1.3
191.10794	1.1
191.14186	1.3
193.10341	1.2
193.12256	1.8
195.11844	1.9
195.13820	7.3
197.11623	1.3
197.13245	5.9
199.11241	1.9
199.14946	1.4
201.12787	3.1
201.16283	1.1
205.12198	1.5
207.11633	1.7
207.13658	1.3
209.13240	2.2
211.14865	1.6
213.12704	1.7
213.14664	1.2
213.16527	1.9
215.14243	1.0
215.17963	1.4
217.15765	1.6
219.13922	0.9
221.15245	1.3
223.14967	1.6
225.16496	1.8
227.12761	28.6
229.14281	5.9
229.19476	4.8
231.17432	1.3
233.15335	2.7
239.17947	5.8
244.37686	0.9
245.13792	3.9
247.20547	4.3
251.16470	2.4
253.14299	1.8
253.18056	2.0
255.15877	14.1
257.19025	16.8
259.20651	1.9
265.14371	1.3
267.15823	5.7
269.17468	42.0
273.15308	0.9
273.18524	1.8
275.20078	78.2
276.20438	1.1
291.19608	2.4
293.21210	8.2
299.19833	1.1
301.21683	1.1
313.21689	2.2
315.23172	0.9
321.24338	2.0
327.26782	1.0
331.22614	6.9
339.23380	1.4
349.23740	84.5
351.25446	1.4
365.23120	1.9
367.24872	9.8
371.17288	1.1
389.17917	1.7
389.26953	1.1
395.20197	1.2
395.29340	1.1
407.29156	0.9
409.25967	2.0
413.21744	2.8
419.24164	1.5
423.27487	5.6
425.25369	1.0
431.27945	2.7
433.30612	1.9
435.27185	2.0
437.25336	1.1
439.26773	3.5
445.29337	4.7
449.29028	19.5
451.31912	3.4
463.30511	23.7
469.33823	1.7
479.30701	1.1
485.32480	1.2
503.33685	6.8
511.34360	3.5
513.36597	1.5
515.37091	2.6
519.33191	5.8
521.34338	1.6
525.35956	7.5
527.37549	3.5
529.28314	1.1
529.35400	19.0
531.38086	1.4
539.37213	1.0
543.36829	82.6
544.36951	1.4
547.36047	3.6
559.35620	1.6
561.38098	12.8
565.30292	1.2
567.30353	1.4
583.30841	2.4
605.41632	3.5
607.34625	3.4
623.43066	39.6
641.44116	19.4
647.37695	1.6
651.38818	1.7
659.44751	1.7
663.36456	1.5
669.39740	2.1
687.40973	5.8
691.39880	1.1
705.42432	4.3
767.46960	2.3
785.48407	2.2
803.49646	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5951
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05001	5.0
72.59141	0.9
73.02911	5.4
77.03885	1.2
79.05496	53.5
81.03426	14.0
81.07063	67.4
83.04988	8.8
83.08629	16.9
85.02910	24.1
85.06535	3.8
87.04469	5.9
91.03949	8.4
91.05486	36.8
93.07050	45.8
95.04979	9.1
95.08613	47.4
95.09525	1.3
96.04492	1.3
97.02901	13.1
97.06535	7.1
97.10176	16.4
99.04477	2.4
99.08078	2.8
101.02485	1.2
103.03969	1.5
105.04560	1.3
105.07039	24.2
107.04977	4.2
107.08600	31.2
109.02844	1.2
109.06531	5.6
109.10165	71.1
111.08067	4.2
113.09679	1.2
115.37639	1.2
117.07024	11.5
119.08591	18.0
121.06497	1.7
121.10147	23.5
123.08065	2.9
123.11689	5.4
125.09639	16.0
127.03936	5.4
129.05511	2.5
129.07008	2.5
131.08592	13.6
133.10161	12.1
135.08078	1.3
135.11696	16.0
137.09615	4.5
137.13272	2.3
139.11186	1.7
143.08574	2.7
143.10641	3.1
145.04965	5.1
145.10124	12.8
147.08038	2.9
147.11697	6.8
149.09587	1.3
149.13278	8.4
153.12752	3.5
155.08530	1.2
155.10664	4.6
157.10112	3.9
159.11708	8.2
161.13254	4.7
163.06001	4.8
163.11165	9.0
163.14859	5.5
171.11679	2.1
173.09610	2.1
173.11757	18.0
173.13275	4.2
175.14851	2.0
177.12833	1.7
181.10207	1.3
181.12233	3.2
185.13264	2.6
187.14854	3.7
189.11227	2.6
191.10669	2.1
193.12263	3.4
199.13286	7.6
199.14861	1.5
201.16411	2.0
203.12752	1.7
209.11725	6.8
211.13237	2.6
215.18304	1.2
217.14326	2.7
221.15402	1.2
223.36473	1.2
227.12802	11.3
229.14368	69.2
243.21132	5.4
245.13802	1.7
259.20544	3.2
261.22165	20.8
263.63455	1.3
265.14203	1.4
267.15805	5.6
277.21735	1.5
283.15326	2.5
297.22073	1.9
299.23779	1.5
301.16464	20.8
315.23190	4.1
317.24695	4.3
327.23230	2.7
333.24280	1.7
335.25833	100.0
336.26047	1.6
345.24088	1.3
363.25400	2.0
389.26810	2.3
399.23782	26.4
415.32062	1.2
455.20599	1.1
469.32556	1.8
477.35889	8.5
489.35825	23.4
490.36618	1.2
517.35278	1.5
527.36493	1.2
543.36688	7.8
561.37671	13.8
579.38782	6.5
659.45245	41.5
677.46710	1.6
907.53601	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5949
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01345	1.7
71.04981	3.5
71.13479	1.7
73.02905	3.8
77.03925	0.9
79.05495	40.2
79.37863	0.9
81.03419	9.0
81.07059	61.3
83.04982	6.3
83.08624	12.1
85.02904	23.5
85.06541	3.9
87.04456	2.8
91.03955	7.4
91.05482	27.3
93.07047	46.3
95.04964	6.3
95.08609	39.8
96.04478	1.3
97.02902	10.4
97.06516	5.5
97.10165	13.2
99.04427	2.5
99.08070	1.5
103.05432	1.3
105.04494	1.7
105.07030	15.9
107.04963	2.5
107.08596	25.6
109.02854	0.8
109.06499	2.7
109.10159	66.0
111.04442	1.4
111.08102	4.4
111.11694	1.0
117.07013	8.6
119.07790	1.7
119.08575	16.9
121.06519	2.0
121.10149	21.9
123.08057	3.2
123.11722	5.9
125.09631	11.6
127.03911	3.5
129.05545	1.3
129.07016	1.7
131.08565	12.7
133.10127	10.8
135.08046	1.3
135.11688	14.7
137.09578	3.0
137.13245	1.1
139.11235	1.1
141.07033	1.0
143.08519	2.0
143.10677	1.5
145.04958	5.1
145.10132	10.7
145.25127	0.8
147.11693	7.0
149.09578	1.6
149.13260	6.2
153.12769	2.3
155.10686	3.7
157.10138	2.7
159.11693	6.2
161.13261	5.8
163.06030	3.8
163.11180	7.6
163.14815	2.6
171.11716	2.7
173.04480	1.2
173.09570	1.1
173.11728	14.3
173.13260	4.9
175.14815	2.1
177.12706	0.9
177.16383	1.2
181.12283	1.5
183.47365	0.9
185.13263	1.3
187.14786	2.6
189.11218	1.8
191.10658	2.4
193.12247	3.5
195.13811	1.0
198.49394	0.9
198.98489	0.9
199.13245	5.5
201.16388	2.1
209.11726	5.1
211.13232	1.8
227.12755	8.3
229.14349	50.5
235.17096	1.1
243.21135	6.1
245.14001	1.5
255.16034	1.0
257.13861	1.6
259.20618	1.9
261.22122	22.1
267.15869	5.8
275.19980	1.3
277.21472	1.6
283.15363	4.0
285.17264	1.0
297.22159	1.0
301.16440	16.9
315.23218	1.7
317.24698	4.6
327.23071	1.0
333.24130	1.5
335.25809	100.0
336.26260	1.2
339.34958	0.8
361.23752	1.1
399.23801	14.7
401.26556	0.9
402.10327	0.9
419.27942	1.0
459.34784	1.5
477.35770	8.7
489.35785	28.9
499.52490	1.1
507.36765	1.4
527.37280	1.2
543.36987	5.1
545.38330	1.9
561.37970	10.8
579.38916	7.2
609.49860	1.0
659.45221	44.0
667.24933	1.0
799.58588	1.0
879.84619	0.9
889.42328	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.5796
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52697	0.8
71.52844	1.1
73.02914	1.9
77.03903	1.2
78.04716	0.7
79.05497	43.2
80.05843	0.9
81.03419	11.7
81.07058	43.7
83.04984	7.3
83.08620	11.9
85.02890	5.6
85.06539	3.3
85.72806	0.8
88.44023	0.8
91.03939	1.1
91.05486	35.1
93.07049	36.4
95.04977	12.7
95.08607	20.4
95.09075	0.4
97.02891	13.5
97.06533	11.8
97.10173	19.1
99.08093	1.6
103.05489	1.8
105.04527	1.2
105.07035	29.3
107.04959	15.1
107.08600	29.5
109.02861	2.2
109.06549	5.5
109.10158	15.0
111.04466	1.4
111.08087	3.3
115.05457	2.4
117.07029	13.3
118.07756	0.8
119.04946	1.6
119.08588	22.3
121.06506	5.6
121.10146	11.9
123.04449	1.5
123.08071	5.4
123.11701	2.2
125.09644	12.7
127.03919	3.0
128.06209	1.2
129.07013	6.8
130.07779	1.5
131.04915	0.9
131.08572	17.5
133.05623	0.8
133.06471	4.5
133.10136	15.9
135.08072	6.6
135.11703	8.2
137.09596	3.5
139.03871	1.5
141.07002	3.0
142.07817	1.3
143.08571	5.7
145.04977	0.9
145.06456	2.2
145.10127	14.8
147.08067	6.6
147.11697	9.4
149.09624	9.8
149.13271	8.0
151.11223	1.8
153.09134	1.7
153.12688	1.2
155.08598	1.5
157.10156	5.6
159.08092	2.0
159.11702	9.3
161.09642	3.5
161.13219	3.4
162.10370	0.9
163.11159	5.5
165.09085	1.4
169.10153	2.0
169.12222	1.0
171.10243	1.8
171.11681	4.3
173.04477	1.2
173.11848	1.2
173.13254	4.7
175.11208	3.6
177.12732	4.2
179.10664	1.0
179.14328	2.1
181.10110	0.9
183.11696	2.1
185.13266	1.8
187.11197	2.3
189.11232	7.9
189.12773	1.7
193.12270	2.1
195.13828	1.9
197.13249	1.6
199.11362	1.0
199.14844	1.5
205.12250	2.9
209.13367	1.0
211.13240	1.4
223.13264	20.7
227.12778	20.8
227.17834	1.2
229.14214	1.8
239.17967	1.4
245.13821	1.3
245.18915	1.6
247.20587	1.1
249.14888	4.2
251.16281	1.0
253.14339	1.2
255.15848	2.5
257.19006	7.8
261.14893	1.2
267.15872	3.0
269.17468	12.2
273.18503	13.3
275.20056	24.5
276.20441	1.4
285.16995	1.1
291.19547	100.0
293.21161	1.3
321.24338	1.5
331.22607	2.6
347.22171	2.6
349.23773	25.1
365.23242	46.8
366.23236	0.9
367.24652	1.8
375.21866	0.9
389.18140	0.9
413.21835	1.0
439.26736	1.1
461.28979	1.7
517.31750	1.0
519.33337	4.1
535.32434	3.5
541.35474	4.7
543.36298	1.2
545.34711	12.2
557.34528	0.9
559.36328	48.6
611.42743	1.2
621.41418	4.2
639.42596	55.7
640.43176	1.7
640.88062	0.9
657.43854	6.5
679.36603	1.1
703.39807	2.5
783.46069	1.0
801.47546	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.6001
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05000	6.7
73.02914	3.9
77.03915	3.1
79.05498	89.9
81.03437	12.2
81.07061	100.0
83.04999	10.5
83.08622	23.5
85.02912	14.6
85.06556	6.4
91.03951	4.3
91.05488	97.7
93.07048	98.9
95.04973	14.7
95.08614	59.1
95.09071	1.0
95.09241	1.3
97.02892	11.6
97.06539	13.8
97.10182	15.0
99.04459	2.8
99.08077	4.5
103.03934	1.5
103.05473	4.3
105.04523	3.2
105.07037	92.5
107.04972	8.9
107.08601	57.3
107.12802	1.1
109.02876	2.6
109.06518	8.7
109.10162	28.9
109.63062	1.4
111.04481	1.6
111.08105	7.2
111.11741	1.5
113.09634	1.5
115.05438	6.7
116.06210	1.4
117.07027	42.0
119.08585	73.5
121.06515	4.2
121.09324	2.6
121.10152	34.4
123.08092	5.9
123.11737	8.6
125.09632	10.3
127.03928	5.3
128.06223	7.7
129.05540	3.2
129.07004	26.3
130.07840	3.8
131.08572	48.9
133.06470	2.8
133.10141	62.6
135.08058	6.2
135.11708	24.7
137.09647	4.3
137.13280	2.4
139.11107	2.2
141.06987	8.4
142.07762	7.3
143.08562	28.1
144.09346	4.1
145.04922	2.1
145.06499	2.4
145.10133	46.5
147.08051	4.3
147.11700	38.9
149.09636	12.7
149.13269	13.9
151.07588	1.5
151.11145	3.6
153.06953	2.4
154.07767	3.0
155.08562	14.4
156.09282	2.0
157.10143	27.1
159.08107	3.0
159.11696	36.3
161.09621	2.9
161.13274	21.6
163.06055	2.0
163.11230	7.4
163.14810	2.9
165.06914	2.3
165.12862	2.1
165.39360	1.4
167.08542	7.2
168.09364	2.9
169.10118	17.7
170.10855	2.4
171.08067	2.2
171.11696	24.9
173.04478	4.8
173.09628	3.3
173.11844	1.4
173.13271	18.8
175.11205	3.8
175.14864	10.5
177.12755	4.2
179.08496	1.8
179.14340	2.3
181.10117	11.2
181.11542	1.4
181.12196	1.3
183.11690	15.1
185.09642	1.3
185.13271	17.4
187.11208	1.7
187.13383	1.8
187.14796	8.3
189.11179	2.5
189.12686	2.2
193.10155	3.7
193.11981	1.4
195.11688	9.7
195.13705	3.6
197.13286	12.7
199.11136	2.4
199.14836	8.9
201.12761	1.9
201.16389	3.5
203.14317	3.1
207.11719	5.0
209.13284	7.5
211.14830	5.7
211.16698	1.7
213.12772	3.0
213.16397	7.5
215.14378	1.6
215.17998	2.0
217.16017	2.2
219.11659	1.9
219.17532	1.7
221.13232	4.4
221.15250	1.5
223.14824	6.0
225.16338	4.1
227.12729	8.0
227.17996	2.0
229.14377	4.7
229.19501	3.8
231.21071	4.4
233.15450	2.2
235.14919	3.0
237.16301	4.0
239.17949	5.2
241.19572	19.2
243.15802	1.8
247.20439	1.9
251.14326	1.8
251.17998	2.6
253.14275	1.8
255.15938	5.7
257.19000	9.6
259.20602	48.2
261.22067	3.0
263.17950	2.3
265.19424	1.7
267.15872	3.3
269.17395	14.7
271.20660	3.0
273.18503	4.4
273.21997	2.1
275.20111	27.5
277.21732	3.2
283.20544	2.6
289.21555	1.9
295.20447	2.1
297.21930	2.0
299.23749	1.5
301.21637	2.4
307.20050	1.9
309.22095	1.6
311.20190	2.0
311.23584	2.3
313.21756	2.7
315.23306	6.7
321.22098	2.3
323.23602	1.9
325.21594	1.7
329.24567	2.2
331.22650	3.0
333.24283	54.0
335.25833	4.1
339.23264	2.0
341.24728	2.5
347.23373	1.6
349.23819	21.8
351.25314	4.2
353.24649	2.7
365.24188	1.8
365.28448	4.1
367.24884	3.2
379.30307	2.5
381.27759	2.0
385.23486	1.6
395.29062	1.9
403.24500	1.6
407.28894	2.2
417.31549	2.7
421.30930	5.3
435.32745	7.5
439.31726	2.3
447.32016	2.0
453.33783	5.3
471.34796	2.9
487.34018	2.9
489.35709	2.8
495.34885	3.1
497.36374	2.0
499.33792	1.7
501.35239	4.3
509.36252	4.4
513.35822	40.9
515.38367	8.3
527.37396	56.9
528.37628	1.8
529.16327	1.4
531.36987	3.9
533.39777	4.6
543.36993	2.6
545.38354	9.8
551.40417	4.5
555.37048	2.3
589.42328	2.7
593.38867	1.8
597.45148	2.5
607.43610	68.2
625.44635	72.7
626.44849	3.0
635.39166	3.7
653.39685	2.2
671.41431	5.2
678.37207	1.6
689.42224	4.8
733.46216	2.4
751.46991	4.1
769.48206	5.3
787.49811	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5994
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73898	3.7
69.74313	8.6
71.04971	5.7
73.02917	3.2
74.05300	1.9
76.17114	1.8
77.03896	2.5
79.05495	73.5
81.03427	18.1
81.07063	93.1
82.07393	2.6
83.04996	14.4
83.08618	19.9
85.02905	9.5
85.06518	3.5
86.09697	5.8
91.03961	4.3
91.05487	95.5
92.05775	3.1
93.07048	89.3
93.89088	1.9
94.07364	2.8
95.04982	15.8
95.08611	57.1
95.09201	1.9
97.02874	8.5
97.06518	14.9
97.10165	9.0
99.08076	3.5
103.05485	3.0
105.07040	81.8
107.04939	8.3
107.08604	50.8
109.02876	3.1
109.06517	4.8
109.10159	22.6
111.08070	8.6
115.05455	4.4
117.07024	34.4
119.08591	63.1
121.06508	5.2
121.10148	31.2
123.08087	4.0
123.11720	9.4
125.00010	2.7
125.09624	4.4
127.03936	5.5
127.07562	2.3
128.06184	3.7
129.05490	3.0
129.07011	18.8
130.07822	2.7
131.08578	44.5
133.06464	2.8
133.10143	45.9
135.08069	6.0
135.11694	30.7
137.09566	5.1
140.73956	1.8
141.06969	5.7
142.07784	4.6
143.08580	18.5
144.09360	2.3
145.04988	3.8
145.06471	4.8
145.10146	34.1
147.08105	2.7
147.11697	39.1
149.09604	9.3
149.13255	17.2
151.11224	3.5
155.08516	9.0
157.10126	19.4
158.11008	2.1
159.11708	28.5
161.09605	4.1
161.13283	19.6
163.11179	7.0
163.14775	4.5
167.08553	3.8
169.10081	11.2
171.11725	17.5
173.04451	3.3
173.09657	3.8
173.13263	14.5
175.11227	3.3
175.14813	8.7
177.12756	4.9
181.10118	5.4
183.11702	14.3
184.07379	16.5
184.12263	2.2
185.09605	2.7
185.13271	13.6
187.11186	3.6
187.14812	5.9
193.10156	2.3
193.12201	2.3
195.11720	7.5
195.13762	5.5
197.13295	11.5
197.14949	2.3
199.14864	11.0
201.12775	2.6
201.16347	3.4
209.13231	5.8
211.14903	5.0
213.14651	2.3
213.16438	3.2
221.13370	2.5
223.14873	2.2
227.12643	2.4
229.19583	2.5
231.20988	4.2
235.14833	3.3
237.16330	3.4
239.17924	3.0
241.19608	17.7
253.14421	2.6
253.17975	2.3
255.15860	15.4
257.19016	5.1
259.20587	51.1
261.22162	2.6
267.15915	5.9
269.17453	28.7
273.18600	2.5
275.20081	25.7
276.20425	3.9
291.19559	3.0
301.21582	2.3
311.23755	2.8
315.23077	6.5
327.23019	2.2
332.22665	2.7
333.24292	48.2
335.25980	4.5
339.22989	2.2
347.22372	2.6
349.23883	15.2
365.23260	3.1
367.24747	6.7
409.30905	3.0
417.31558	2.6
435.32819	11.2
453.33630	9.0
471.34872	5.5
473.33398	2.8
487.33975	2.6
495.34677	2.5
509.36124	8.0
513.35803	27.1
515.37720	8.2
525.36108	2.5
527.37384	100.0
531.36676	6.9
533.39758	2.9
543.36932	4.9
545.38232	19.2
551.40198	2.9
607.43597	39.5
624.43488	4.0
625.44525	50.7
653.40076	3.4
671.41669	3.3
688.77087	2.5
689.41998	6.0
769.47729	4.0
775.53699	2.5
787.48834	3.2
END